USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 934 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 97 HIS : no HD1:sc= 1.17 K(o=2.4,f=-5.3!) USER MOD Set 1.2: A 99 SER OG : rot -105:sc= 1.27 USER MOD Set 2.1: A 50 ASN : amide:sc= 0.65! K(o=0.049!,f=-0.59) USER MOD Set 2.2: A 53 MET CE :methyl -165:sc= -0.0366 (180deg=-0.301) USER MOD Set 2.3: A 82 SER OG : rot -111:sc= 1.15 USER MOD Set 2.4: A 86 ASN : amide:sc= -1.71 K(o=0.049,f=-1.4) USER MOD Set 3.1: A 48 LYS NZ :NH3+ -160:sc= 0.627 (180deg=0) USER MOD Set 3.2: A 119 SER OG : rot 10:sc= 0.656 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 11:sc= 0.374 USER MOD Single : A 3 SER OG : rot 32:sc= 1.17 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc=0.000792 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0.653 (180deg=0.553) USER MOD Single : A 29 TYR OH : rot 124:sc= 0.98 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -179:sc= -0.12 (180deg=-0.131) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0859 X(o=-0.086,f=-0.047) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.07 K(o=0.07,f=-4.5!) USER MOD Single : A 57 THR OG1 : rot 107:sc= 1.22 USER MOD Single : A 61 SER OG : rot -155:sc= 1.25 USER MOD Single : A 67 HIS : no HD1:sc= 0.649 K(o=0.65,f=-6.3!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 72 THR OG1 : rot 102:sc= 1.24 USER MOD Single : A 74 SER OG : rot -42:sc= 1.26 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 158:sc= 1.4 (180deg=0.0464) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc=0.000924 USER MOD Single : A 95 SER OG : rot -91:sc= 1.34 USER MOD Single : A 102 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.19) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.6) USER MOD Single : A 107 THR OG1 : rot -56:sc= 0.708 USER MOD Single : A 122 SER OG : rot 180:sc= 0.132 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.138 1.810 -23.202 1.00 0.00 N ATOM 2 CA GLY A 1 21.018 2.957 -22.958 1.00 0.00 C ATOM 3 C GLY A 1 20.181 4.154 -22.558 1.00 0.00 C ATOM 4 O GLY A 1 19.695 4.855 -23.442 1.00 0.00 O ATOM 0 H1 GLY A 1 20.710 0.986 -23.477 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.607 1.589 -22.335 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.472 2.040 -23.967 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.734 2.720 -22.171 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.594 3.185 -23.855 1.00 0.00 H new ATOM 8 N SER A 2 19.973 4.358 -21.256 1.00 0.00 N ATOM 9 CA SER A 2 19.246 5.477 -20.662 1.00 0.00 C ATOM 10 C SER A 2 19.736 5.669 -19.222 1.00 0.00 C ATOM 11 O SER A 2 20.467 4.821 -18.701 1.00 0.00 O ATOM 12 CB SER A 2 17.743 5.172 -20.650 1.00 0.00 C ATOM 13 OG SER A 2 17.185 5.201 -21.949 1.00 0.00 O ATOM 0 H SER A 2 20.327 3.711 -20.551 1.00 0.00 H new ATOM 0 HA SER A 2 19.421 6.382 -21.244 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.576 4.191 -20.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.231 5.899 -20.019 1.00 0.00 H new ATOM 0 HG SER A 2 17.904 5.242 -22.613 1.00 0.00 H new ATOM 19 N SER A 3 19.314 6.751 -18.562 1.00 0.00 N ATOM 20 CA SER A 3 19.437 7.032 -17.129 1.00 0.00 C ATOM 21 C SER A 3 18.453 8.153 -16.752 1.00 0.00 C ATOM 22 O SER A 3 17.631 8.535 -17.592 1.00 0.00 O ATOM 23 CB SER A 3 20.883 7.433 -16.826 1.00 0.00 C ATOM 24 OG SER A 3 21.693 6.277 -16.740 1.00 0.00 O ATOM 0 H SER A 3 18.842 7.511 -19.053 1.00 0.00 H new ATOM 0 HA SER A 3 19.193 6.149 -16.538 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.258 8.094 -17.608 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.927 7.990 -15.890 1.00 0.00 H new ATOM 0 HG SER A 3 21.350 5.591 -17.350 1.00 0.00 H new ATOM 30 N GLY A 4 18.512 8.652 -15.514 1.00 0.00 N ATOM 31 CA GLY A 4 17.878 9.892 -15.084 1.00 0.00 C ATOM 32 C GLY A 4 16.857 9.652 -13.979 1.00 0.00 C ATOM 33 O GLY A 4 15.945 8.846 -14.152 1.00 0.00 O ATOM 0 H GLY A 4 19.020 8.185 -14.763 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.640 10.586 -14.730 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.388 10.364 -15.936 1.00 0.00 H new ATOM 37 N SER A 5 16.984 10.359 -12.853 1.00 0.00 N ATOM 38 CA SER A 5 15.964 10.419 -11.815 1.00 0.00 C ATOM 39 C SER A 5 16.098 11.747 -11.059 1.00 0.00 C ATOM 40 O SER A 5 17.229 12.179 -10.806 1.00 0.00 O ATOM 41 CB SER A 5 16.080 9.194 -10.899 1.00 0.00 C ATOM 42 OG SER A 5 17.317 9.124 -10.204 1.00 0.00 O ATOM 0 H SER A 5 17.813 10.913 -12.638 1.00 0.00 H new ATOM 0 HA SER A 5 14.966 10.389 -12.251 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.266 9.213 -10.175 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.955 8.290 -11.496 1.00 0.00 H new ATOM 0 HG SER A 5 17.329 8.325 -9.637 1.00 0.00 H new ATOM 48 N SER A 6 14.973 12.361 -10.667 1.00 0.00 N ATOM 49 CA SER A 6 14.905 13.588 -9.869 1.00 0.00 C ATOM 50 C SER A 6 13.531 13.684 -9.188 1.00 0.00 C ATOM 51 O SER A 6 12.519 13.358 -9.820 1.00 0.00 O ATOM 52 CB SER A 6 15.064 14.827 -10.770 1.00 0.00 C ATOM 53 OG SER A 6 16.251 14.816 -11.539 1.00 0.00 O ATOM 0 H SER A 6 14.050 12.000 -10.908 1.00 0.00 H new ATOM 0 HA SER A 6 15.706 13.556 -9.131 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.207 14.892 -11.440 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.051 15.722 -10.149 1.00 0.00 H new ATOM 0 HG SER A 6 16.292 15.626 -12.089 1.00 0.00 H new ATOM 59 N GLY A 7 13.463 14.200 -7.957 1.00 0.00 N ATOM 60 CA GLY A 7 12.215 14.575 -7.297 1.00 0.00 C ATOM 61 C GLY A 7 12.420 14.882 -5.811 1.00 0.00 C ATOM 62 O GLY A 7 13.393 14.423 -5.207 1.00 0.00 O ATOM 0 H GLY A 7 14.289 14.371 -7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.792 15.449 -7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.492 13.767 -7.403 1.00 0.00 H new ATOM 66 N THR A 8 11.493 15.626 -5.200 1.00 0.00 N ATOM 67 CA THR A 8 11.364 15.771 -3.755 1.00 0.00 C ATOM 68 C THR A 8 9.978 16.338 -3.419 1.00 0.00 C ATOM 69 O THR A 8 9.540 17.339 -3.997 1.00 0.00 O ATOM 70 CB THR A 8 12.508 16.633 -3.176 1.00 0.00 C ATOM 71 OG1 THR A 8 12.424 16.648 -1.766 1.00 0.00 O ATOM 72 CG2 THR A 8 12.585 18.076 -3.681 1.00 0.00 C ATOM 0 H THR A 8 10.793 16.158 -5.717 1.00 0.00 H new ATOM 0 HA THR A 8 11.452 14.792 -3.285 1.00 0.00 H new ATOM 0 HB THR A 8 13.419 16.153 -3.533 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.151 17.194 -1.401 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.425 18.583 -3.206 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.725 18.076 -4.762 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.660 18.598 -3.435 1.00 0.00 H new ATOM 80 N VAL A 9 9.300 15.737 -2.446 1.00 0.00 N ATOM 81 CA VAL A 9 8.109 16.261 -1.787 1.00 0.00 C ATOM 82 C VAL A 9 8.270 15.968 -0.287 1.00 0.00 C ATOM 83 O VAL A 9 9.103 15.132 0.075 1.00 0.00 O ATOM 84 CB VAL A 9 6.828 15.646 -2.399 1.00 0.00 C ATOM 85 CG1 VAL A 9 6.611 16.088 -3.855 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.786 14.110 -2.336 1.00 0.00 C ATOM 0 H VAL A 9 9.580 14.828 -2.078 1.00 0.00 H new ATOM 0 HA VAL A 9 8.003 17.336 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 9 6.021 16.030 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.700 15.631 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.518 17.173 -3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.460 15.773 -4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.859 13.753 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.635 13.700 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.835 13.787 -1.296 1.00 0.00 H new ATOM 96 N ALA A 10 7.520 16.658 0.579 1.00 0.00 N ATOM 97 CA ALA A 10 7.394 16.337 1.996 1.00 0.00 C ATOM 98 C ALA A 10 6.268 17.170 2.618 1.00 0.00 C ATOM 99 O ALA A 10 6.499 18.328 2.972 1.00 0.00 O ATOM 100 CB ALA A 10 8.707 16.617 2.748 1.00 0.00 C ATOM 0 H ALA A 10 6.973 17.473 0.303 1.00 0.00 H new ATOM 0 HA ALA A 10 7.164 15.275 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.583 16.368 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.506 16.009 2.323 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.963 17.672 2.652 1.00 0.00 H new ATOM 106 N SER A 11 5.077 16.601 2.805 1.00 0.00 N ATOM 107 CA SER A 11 4.005 17.188 3.610 1.00 0.00 C ATOM 108 C SER A 11 3.677 16.271 4.791 1.00 0.00 C ATOM 109 O SER A 11 3.867 15.053 4.705 1.00 0.00 O ATOM 110 CB SER A 11 2.749 17.412 2.763 1.00 0.00 C ATOM 111 OG SER A 11 2.959 18.310 1.692 1.00 0.00 O ATOM 0 H SER A 11 4.825 15.702 2.394 1.00 0.00 H new ATOM 0 HA SER A 11 4.346 18.153 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.409 16.455 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.951 17.795 3.400 1.00 0.00 H new ATOM 0 HG SER A 11 2.127 18.415 1.185 1.00 0.00 H new ATOM 117 N ARG A 12 3.201 16.859 5.895 1.00 0.00 N ATOM 118 CA ARG A 12 2.580 16.186 7.042 1.00 0.00 C ATOM 119 C ARG A 12 1.522 17.131 7.613 1.00 0.00 C ATOM 120 O ARG A 12 1.684 18.349 7.491 1.00 0.00 O ATOM 121 CB ARG A 12 3.612 15.852 8.144 1.00 0.00 C ATOM 122 CG ARG A 12 4.521 14.650 7.835 1.00 0.00 C ATOM 123 CD ARG A 12 5.829 14.983 7.099 1.00 0.00 C ATOM 124 NE ARG A 12 6.867 15.533 7.977 1.00 0.00 N ATOM 125 CZ ARG A 12 8.118 15.830 7.606 1.00 0.00 C ATOM 126 NH1 ARG A 12 8.562 15.532 6.384 1.00 0.00 N ATOM 127 NH2 ARG A 12 8.913 16.426 8.488 1.00 0.00 N ATOM 0 H ARG A 12 3.241 17.871 6.019 1.00 0.00 H new ATOM 0 HA ARG A 12 2.144 15.244 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.238 16.728 8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.079 15.656 9.074 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.768 14.153 8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.958 13.936 7.234 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.209 14.080 6.621 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.618 15.699 6.305 1.00 0.00 H new ATOM 0 HE ARG A 12 6.615 15.703 8.951 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.945 15.071 5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.519 15.766 6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.565 16.646 9.421 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.871 16.664 8.232 1.00 0.00 H new ATOM 141 N LEU A 13 0.483 16.609 8.270 1.00 0.00 N ATOM 142 CA LEU A 13 -0.508 17.386 9.025 1.00 0.00 C ATOM 143 C LEU A 13 -0.252 17.242 10.527 1.00 0.00 C ATOM 144 O LEU A 13 0.688 16.558 10.943 1.00 0.00 O ATOM 145 CB LEU A 13 -1.954 16.972 8.650 1.00 0.00 C ATOM 146 CG LEU A 13 -2.633 17.816 7.555 1.00 0.00 C ATOM 147 CD1 LEU A 13 -2.687 19.315 7.882 1.00 0.00 C ATOM 148 CD2 LEU A 13 -1.979 17.607 6.189 1.00 0.00 C ATOM 0 H LEU A 13 0.301 15.606 8.293 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.401 18.438 8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.940 15.932 8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.569 17.016 9.549 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.661 17.456 7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.178 19.848 7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.248 19.466 8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.674 19.697 8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.487 18.220 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.929 17.895 6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.054 16.557 5.907 1.00 0.00 H new ATOM 160 N SER A 14 -1.066 17.906 11.344 1.00 0.00 N ATOM 161 CA SER A 14 -1.074 17.819 12.793 1.00 0.00 C ATOM 162 C SER A 14 -2.151 16.814 13.207 1.00 0.00 C ATOM 163 O SER A 14 -3.112 17.149 13.898 1.00 0.00 O ATOM 164 CB SER A 14 -1.290 19.224 13.371 1.00 0.00 C ATOM 165 OG SER A 14 -0.216 20.065 12.972 1.00 0.00 O ATOM 0 H SER A 14 -1.772 18.551 10.990 1.00 0.00 H new ATOM 0 HA SER A 14 -0.125 17.459 13.190 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.237 19.633 13.020 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.347 19.178 14.459 1.00 0.00 H new ATOM 0 HG SER A 14 -0.351 20.964 13.338 1.00 0.00 H new ATOM 171 N ASP A 15 -1.983 15.573 12.754 1.00 0.00 N ATOM 172 CA ASP A 15 -2.833 14.427 13.047 1.00 0.00 C ATOM 173 C ASP A 15 -1.902 13.228 13.048 1.00 0.00 C ATOM 174 O ASP A 15 -1.369 12.863 12.002 1.00 0.00 O ATOM 175 CB ASP A 15 -3.932 14.283 11.988 1.00 0.00 C ATOM 176 CG ASP A 15 -4.826 13.042 12.172 1.00 0.00 C ATOM 177 OD1 ASP A 15 -4.393 12.022 12.757 1.00 0.00 O ATOM 178 OD2 ASP A 15 -5.975 13.043 11.674 1.00 0.00 O ATOM 0 H ASP A 15 -1.206 15.330 12.139 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.347 14.531 14.002 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.559 15.175 12.007 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.468 14.240 11.002 1.00 0.00 H new ATOM 183 N THR A 16 -1.647 12.646 14.213 1.00 0.00 N ATOM 184 CA THR A 16 -0.725 11.537 14.389 1.00 0.00 C ATOM 185 C THR A 16 -1.074 10.369 13.457 1.00 0.00 C ATOM 186 O THR A 16 -0.173 9.854 12.780 1.00 0.00 O ATOM 187 CB THR A 16 -0.734 11.137 15.874 1.00 0.00 C ATOM 188 OG1 THR A 16 -0.440 12.277 16.663 1.00 0.00 O ATOM 189 CG2 THR A 16 0.262 10.021 16.195 1.00 0.00 C ATOM 0 H THR A 16 -2.089 12.942 15.083 1.00 0.00 H new ATOM 0 HA THR A 16 0.286 11.837 14.113 1.00 0.00 H new ATOM 0 HB THR A 16 -1.728 10.752 16.103 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.446 12.029 17.611 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.210 9.782 17.257 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.016 9.134 15.611 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.271 10.351 15.946 1.00 0.00 H new ATOM 197 N LYS A 17 -2.347 9.942 13.407 1.00 0.00 N ATOM 198 CA LYS A 17 -2.740 8.823 12.554 1.00 0.00 C ATOM 199 C LYS A 17 -2.582 9.220 11.094 1.00 0.00 C ATOM 200 O LYS A 17 -1.853 8.532 10.370 1.00 0.00 O ATOM 201 CB LYS A 17 -4.193 8.384 12.812 1.00 0.00 C ATOM 202 CG LYS A 17 -4.406 7.733 14.189 1.00 0.00 C ATOM 203 CD LYS A 17 -5.713 6.930 14.287 1.00 0.00 C ATOM 204 CE LYS A 17 -6.940 7.741 13.858 1.00 0.00 C ATOM 205 NZ LYS A 17 -8.187 6.949 13.867 1.00 0.00 N ATOM 0 H LYS A 17 -3.110 10.354 13.944 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.091 7.980 12.791 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.846 9.252 12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.494 7.680 12.036 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.566 7.073 14.405 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.407 8.510 14.954 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.635 6.040 13.663 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.849 6.589 15.313 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.054 8.596 14.524 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.775 8.137 12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.982 7.550 13.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.094 6.147 13.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.365 6.592 14.828 1.00 0.00 H new ATOM 219 N ALA A 18 -3.168 10.350 10.683 1.00 0.00 N ATOM 220 CA ALA A 18 -3.196 10.729 9.276 1.00 0.00 C ATOM 221 C ALA A 18 -1.792 11.036 8.765 1.00 0.00 C ATOM 222 O ALA A 18 -1.495 10.741 7.614 1.00 0.00 O ATOM 223 CB ALA A 18 -4.119 11.923 9.028 1.00 0.00 C ATOM 0 H ALA A 18 -3.627 11.013 11.307 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.593 9.877 8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.112 12.174 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.134 11.668 9.334 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.770 12.779 9.606 1.00 0.00 H new ATOM 229 N ALA A 19 -0.901 11.591 9.587 1.00 0.00 N ATOM 230 CA ALA A 19 0.482 11.835 9.205 1.00 0.00 C ATOM 231 C ALA A 19 1.293 10.542 9.111 1.00 0.00 C ATOM 232 O ALA A 19 2.287 10.528 8.390 1.00 0.00 O ATOM 233 CB ALA A 19 1.145 12.798 10.186 1.00 0.00 C ATOM 0 H ALA A 19 -1.123 11.883 10.539 1.00 0.00 H new ATOM 0 HA ALA A 19 0.465 12.285 8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.179 12.969 9.885 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.606 13.745 10.187 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.125 12.368 11.187 1.00 0.00 H new ATOM 239 N GLY A 20 0.909 9.461 9.797 1.00 0.00 N ATOM 240 CA GLY A 20 1.537 8.150 9.630 1.00 0.00 C ATOM 241 C GLY A 20 1.063 7.509 8.327 1.00 0.00 C ATOM 242 O GLY A 20 1.857 7.007 7.539 1.00 0.00 O ATOM 0 H GLY A 20 0.154 9.472 10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.622 8.255 9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.287 7.507 10.474 1.00 0.00 H new ATOM 246 N GLU A 21 -0.235 7.600 8.053 1.00 0.00 N ATOM 247 CA GLU A 21 -0.831 7.193 6.788 1.00 0.00 C ATOM 248 C GLU A 21 -0.220 7.981 5.629 1.00 0.00 C ATOM 249 O GLU A 21 0.108 7.402 4.594 1.00 0.00 O ATOM 250 CB GLU A 21 -2.350 7.364 6.887 1.00 0.00 C ATOM 251 CG GLU A 21 -3.044 6.130 7.476 1.00 0.00 C ATOM 252 CD GLU A 21 -2.828 5.876 8.972 1.00 0.00 C ATOM 253 OE1 GLU A 21 -1.789 5.290 9.343 1.00 0.00 O ATOM 254 OE2 GLU A 21 -3.762 6.114 9.778 1.00 0.00 O ATOM 0 H GLU A 21 -0.915 7.967 8.719 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.619 6.143 6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.575 8.233 7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.755 7.566 5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.115 6.222 7.296 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.703 5.252 6.928 1.00 0.00 H new ATOM 261 N VAL A 22 -0.039 9.293 5.777 1.00 0.00 N ATOM 262 CA VAL A 22 0.608 10.108 4.763 1.00 0.00 C ATOM 263 C VAL A 22 2.087 9.761 4.675 1.00 0.00 C ATOM 264 O VAL A 22 2.591 9.727 3.567 1.00 0.00 O ATOM 265 CB VAL A 22 0.339 11.608 4.989 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.273 12.527 4.192 1.00 0.00 C ATOM 267 CG2 VAL A 22 -1.107 11.916 4.567 1.00 0.00 C ATOM 0 H VAL A 22 -0.337 9.814 6.602 1.00 0.00 H new ATOM 0 HA VAL A 22 0.173 9.880 3.790 1.00 0.00 H new ATOM 0 HB VAL A 22 0.515 11.804 6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.025 13.568 4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.306 12.335 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.153 12.332 3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.313 12.975 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.239 11.670 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.796 11.321 5.167 1.00 0.00 H new ATOM 277 N LYS A 23 2.785 9.428 5.768 1.00 0.00 N ATOM 278 CA LYS A 23 4.177 8.973 5.686 1.00 0.00 C ATOM 279 C LYS A 23 4.285 7.813 4.708 1.00 0.00 C ATOM 280 O LYS A 23 5.199 7.788 3.888 1.00 0.00 O ATOM 281 CB LYS A 23 4.696 8.588 7.080 1.00 0.00 C ATOM 282 CG LYS A 23 6.231 8.494 7.159 1.00 0.00 C ATOM 283 CD LYS A 23 6.786 7.107 6.792 1.00 0.00 C ATOM 284 CE LYS A 23 7.868 7.222 5.715 1.00 0.00 C ATOM 285 NZ LYS A 23 8.427 5.902 5.364 1.00 0.00 N ATOM 0 H LYS A 23 2.410 9.465 6.716 1.00 0.00 H new ATOM 0 HA LYS A 23 4.802 9.786 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.347 9.323 7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.266 7.629 7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.666 9.238 6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.550 8.747 8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.200 6.629 7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.977 6.470 6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.447 7.688 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.667 7.874 6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.203 6.024 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.789 5.439 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.683 5.312 4.940 1.00 0.00 H new ATOM 299 N ALA A 24 3.352 6.868 4.790 1.00 0.00 N ATOM 300 CA ALA A 24 3.301 5.756 3.863 1.00 0.00 C ATOM 301 C ALA A 24 2.986 6.220 2.432 1.00 0.00 C ATOM 302 O ALA A 24 3.665 5.780 1.512 1.00 0.00 O ATOM 303 CB ALA A 24 2.309 4.715 4.371 1.00 0.00 C ATOM 0 H ALA A 24 2.618 6.857 5.498 1.00 0.00 H new ATOM 0 HA ALA A 24 4.286 5.291 3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.271 3.878 3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.627 4.357 5.350 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.320 5.165 4.453 1.00 0.00 H new ATOM 309 N LEU A 25 1.989 7.094 2.228 1.00 0.00 N ATOM 310 CA LEU A 25 1.645 7.646 0.906 1.00 0.00 C ATOM 311 C LEU A 25 2.857 8.328 0.260 1.00 0.00 C ATOM 312 O LEU A 25 3.120 8.149 -0.925 1.00 0.00 O ATOM 313 CB LEU A 25 0.506 8.677 1.032 1.00 0.00 C ATOM 314 CG LEU A 25 -0.037 9.156 -0.332 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.354 8.492 -0.718 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.303 10.654 -0.269 1.00 0.00 C ATOM 0 H LEU A 25 1.394 7.441 2.980 1.00 0.00 H new ATOM 0 HA LEU A 25 1.324 6.815 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.310 8.238 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.865 9.538 1.595 1.00 0.00 H new ATOM 0 HG LEU A 25 0.720 8.894 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.683 8.871 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.213 7.413 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.109 8.717 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.687 10.996 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.038 10.861 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.625 11.179 -0.041 1.00 0.00 H new ATOM 328 N ASP A 26 3.570 9.132 1.046 1.00 0.00 N ATOM 329 CA ASP A 26 4.709 9.944 0.643 1.00 0.00 C ATOM 330 C ASP A 26 5.799 9.023 0.135 1.00 0.00 C ATOM 331 O ASP A 26 6.276 9.158 -0.990 1.00 0.00 O ATOM 332 CB ASP A 26 5.230 10.726 1.867 1.00 0.00 C ATOM 333 CG ASP A 26 5.942 12.028 1.541 1.00 0.00 C ATOM 334 OD1 ASP A 26 5.277 12.925 0.973 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.069 12.222 2.051 1.00 0.00 O ATOM 0 H ASP A 26 3.353 9.238 2.037 1.00 0.00 H new ATOM 0 HA ASP A 26 4.417 10.645 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.389 10.944 2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.913 10.085 2.425 1.00 0.00 H new ATOM 340 N ASP A 27 6.156 8.059 0.989 1.00 0.00 N ATOM 341 CA ASP A 27 7.281 7.175 0.767 1.00 0.00 C ATOM 342 C ASP A 27 7.004 6.276 -0.439 1.00 0.00 C ATOM 343 O ASP A 27 7.893 6.003 -1.252 1.00 0.00 O ATOM 344 CB ASP A 27 7.524 6.316 2.015 1.00 0.00 C ATOM 345 CG ASP A 27 8.973 5.867 2.138 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.345 4.815 1.577 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.731 6.540 2.877 1.00 0.00 O ATOM 0 H ASP A 27 5.660 7.877 1.861 1.00 0.00 H new ATOM 0 HA ASP A 27 8.171 7.773 0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.246 6.884 2.903 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.877 5.440 1.981 1.00 0.00 H new ATOM 352 N PHE A 28 5.739 5.850 -0.549 1.00 0.00 N ATOM 353 CA PHE A 28 5.191 5.116 -1.669 1.00 0.00 C ATOM 354 C PHE A 28 5.355 5.913 -2.952 1.00 0.00 C ATOM 355 O PHE A 28 5.983 5.423 -3.884 1.00 0.00 O ATOM 356 CB PHE A 28 3.720 4.777 -1.437 1.00 0.00 C ATOM 357 CG PHE A 28 3.130 4.054 -2.623 1.00 0.00 C ATOM 358 CD1 PHE A 28 3.357 2.680 -2.757 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.398 4.744 -3.603 1.00 0.00 C ATOM 360 CE1 PHE A 28 2.768 1.973 -3.814 1.00 0.00 C ATOM 361 CE2 PHE A 28 1.861 4.047 -4.698 1.00 0.00 C ATOM 362 CZ PHE A 28 2.051 2.661 -4.805 1.00 0.00 C ATOM 0 H PHE A 28 5.047 6.022 0.181 1.00 0.00 H new ATOM 0 HA PHE A 28 5.742 4.180 -1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.624 4.157 -0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.159 5.693 -1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.986 2.164 -2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.248 5.810 -3.515 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.866 0.899 -3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.303 4.577 -5.456 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.646 2.124 -5.650 1.00 0.00 H new ATOM 372 N TYR A 29 4.785 7.119 -3.032 1.00 0.00 N ATOM 373 CA TYR A 29 4.806 7.891 -4.270 1.00 0.00 C ATOM 374 C TYR A 29 6.200 8.248 -4.737 1.00 0.00 C ATOM 375 O TYR A 29 6.447 8.378 -5.935 1.00 0.00 O ATOM 376 CB TYR A 29 4.043 9.191 -4.080 1.00 0.00 C ATOM 377 CG TYR A 29 2.584 9.048 -4.384 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.188 8.407 -5.565 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.644 9.656 -3.549 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.859 8.459 -5.969 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.296 9.723 -3.954 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.096 9.151 -5.196 1.00 0.00 C ATOM 383 OH TYR A 29 -1.340 9.306 -5.727 1.00 0.00 O ATOM 0 H TYR A 29 4.306 7.577 -2.256 1.00 0.00 H new ATOM 0 HA TYR A 29 4.347 7.253 -5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.165 9.534 -3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.472 9.958 -4.725 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.914 7.873 -6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.948 10.072 -2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.556 7.966 -6.881 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.436 10.206 -3.324 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.006 8.932 -5.113 1.00 0.00 H new ATOM 393 N LYS A 30 7.108 8.423 -3.789 1.00 0.00 N ATOM 394 CA LYS A 30 8.529 8.501 -4.077 1.00 0.00 C ATOM 395 C LYS A 30 8.920 7.306 -4.954 1.00 0.00 C ATOM 396 O LYS A 30 9.308 7.490 -6.108 1.00 0.00 O ATOM 397 CB LYS A 30 9.314 8.583 -2.757 1.00 0.00 C ATOM 398 CG LYS A 30 10.344 9.711 -2.825 1.00 0.00 C ATOM 399 CD LYS A 30 11.222 9.781 -1.574 1.00 0.00 C ATOM 400 CE LYS A 30 12.139 8.554 -1.504 1.00 0.00 C ATOM 401 NZ LYS A 30 13.060 8.617 -0.359 1.00 0.00 N ATOM 0 H LYS A 30 6.879 8.515 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 30 8.776 9.403 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.628 8.756 -1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.815 7.634 -2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.977 9.568 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.828 10.662 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.821 10.692 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.596 9.828 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.532 7.652 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.713 8.478 -2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.661 7.768 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.658 9.464 -0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.513 8.663 0.524 1.00 0.00 H new ATOM 415 N MET A 31 8.777 6.082 -4.442 1.00 0.00 N ATOM 416 CA MET A 31 9.110 4.870 -5.183 1.00 0.00 C ATOM 417 C MET A 31 8.299 4.777 -6.469 1.00 0.00 C ATOM 418 O MET A 31 8.861 4.407 -7.485 1.00 0.00 O ATOM 419 CB MET A 31 8.859 3.633 -4.324 1.00 0.00 C ATOM 420 CG MET A 31 9.717 3.637 -3.065 1.00 0.00 C ATOM 421 SD MET A 31 11.080 2.449 -3.019 1.00 0.00 S ATOM 422 CE MET A 31 10.347 1.337 -1.806 1.00 0.00 C ATOM 0 H MET A 31 8.426 5.906 -3.500 1.00 0.00 H new ATOM 0 HA MET A 31 10.168 4.916 -5.442 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.806 3.590 -4.046 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.072 2.736 -4.906 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.131 4.637 -2.936 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.069 3.447 -2.209 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.035 0.516 -1.602 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.150 1.883 -0.884 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.411 0.937 -2.197 1.00 0.00 H new ATOM 432 N LEU A 32 7.021 5.158 -6.480 1.00 0.00 N ATOM 433 CA LEU A 32 6.166 5.047 -7.656 1.00 0.00 C ATOM 434 C LEU A 32 6.764 5.758 -8.878 1.00 0.00 C ATOM 435 O LEU A 32 6.506 5.365 -10.014 1.00 0.00 O ATOM 436 CB LEU A 32 4.772 5.604 -7.324 1.00 0.00 C ATOM 437 CG LEU A 32 3.703 5.167 -8.340 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.312 3.710 -8.118 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.449 6.018 -8.169 1.00 0.00 C ATOM 0 H LEU A 32 6.550 5.554 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 32 6.085 3.993 -7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.479 5.271 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.817 6.693 -7.295 1.00 0.00 H new ATOM 0 HG LEU A 32 4.121 5.290 -9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.555 3.421 -8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.190 3.075 -8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.911 3.590 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.695 5.704 -8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.059 5.892 -7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.696 7.067 -8.334 1.00 0.00 H new ATOM 451 N GLN A 33 7.536 6.827 -8.669 1.00 0.00 N ATOM 452 CA GLN A 33 8.199 7.552 -9.748 1.00 0.00 C ATOM 453 C GLN A 33 9.650 7.092 -9.941 1.00 0.00 C ATOM 454 O GLN A 33 10.138 7.079 -11.070 1.00 0.00 O ATOM 455 CB GLN A 33 8.115 9.059 -9.468 1.00 0.00 C ATOM 456 CG GLN A 33 6.693 9.627 -9.229 1.00 0.00 C ATOM 457 CD GLN A 33 5.632 9.375 -10.309 1.00 0.00 C ATOM 458 OE1 GLN A 33 5.249 8.134 -10.551 1.00 0.00 O flip ATOM 459 NE2 GLN A 33 5.099 10.309 -10.906 1.00 0.00 N flip ATOM 0 H GLN A 33 7.718 7.213 -7.742 1.00 0.00 H new ATOM 0 HA GLN A 33 7.685 7.334 -10.684 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.725 9.280 -8.592 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.560 9.590 -10.309 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.321 9.215 -8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.781 10.705 -9.091 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.394 11.268 -10.720 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.362 10.125 -11.587 1.00 0.00 H new ATOM 468 N HIS A 34 10.356 6.745 -8.863 1.00 0.00 N ATOM 469 CA HIS A 34 11.749 6.295 -8.901 1.00 0.00 C ATOM 470 C HIS A 34 11.894 4.840 -9.378 1.00 0.00 C ATOM 471 O HIS A 34 12.646 4.565 -10.316 1.00 0.00 O ATOM 472 CB HIS A 34 12.391 6.480 -7.518 1.00 0.00 C ATOM 473 CG HIS A 34 12.793 7.908 -7.242 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.874 8.554 -7.800 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.187 8.787 -6.386 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.910 9.801 -7.301 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.921 9.977 -6.411 1.00 0.00 N ATOM 0 H HIS A 34 9.968 6.769 -7.920 1.00 0.00 H new ATOM 0 HA HIS A 34 12.271 6.911 -9.633 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.690 6.151 -6.751 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.270 5.840 -7.443 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.302 8.596 -5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.632 10.555 -7.577 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.740 10.816 -5.860 1.00 0.00 H new ATOM 485 N GLU A 35 11.230 3.900 -8.709 1.00 0.00 N ATOM 486 CA GLU A 35 11.244 2.469 -8.978 1.00 0.00 C ATOM 487 C GLU A 35 9.879 1.871 -8.574 1.00 0.00 C ATOM 488 O GLU A 35 9.743 1.307 -7.486 1.00 0.00 O ATOM 489 CB GLU A 35 12.457 1.803 -8.296 1.00 0.00 C ATOM 490 CG GLU A 35 12.623 2.062 -6.787 1.00 0.00 C ATOM 491 CD GLU A 35 14.020 1.665 -6.326 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.273 0.477 -6.042 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.896 2.558 -6.232 1.00 0.00 O ATOM 0 H GLU A 35 10.632 4.134 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 35 11.373 2.273 -10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.388 0.726 -8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.361 2.141 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.449 3.116 -6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.876 1.496 -6.231 1.00 0.00 H new ATOM 500 N PRO A 36 8.840 1.983 -9.427 1.00 0.00 N ATOM 501 CA PRO A 36 7.492 1.500 -9.115 1.00 0.00 C ATOM 502 C PRO A 36 7.438 -0.014 -8.915 1.00 0.00 C ATOM 503 O PRO A 36 6.501 -0.525 -8.313 1.00 0.00 O ATOM 504 CB PRO A 36 6.589 1.948 -10.266 1.00 0.00 C ATOM 505 CG PRO A 36 7.569 2.180 -11.410 1.00 0.00 C ATOM 506 CD PRO A 36 8.853 2.630 -10.727 1.00 0.00 C ATOM 0 HA PRO A 36 7.157 1.919 -8.166 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.850 1.187 -10.517 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.040 2.856 -10.017 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.725 1.270 -11.989 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.200 2.938 -12.101 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.730 2.336 -11.304 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.886 3.715 -10.627 1.00 0.00 H new ATOM 514 N ASP A 37 8.480 -0.741 -9.309 1.00 0.00 N ATOM 515 CA ASP A 37 8.622 -2.163 -9.026 1.00 0.00 C ATOM 516 C ASP A 37 8.648 -2.430 -7.520 1.00 0.00 C ATOM 517 O ASP A 37 8.356 -3.551 -7.105 1.00 0.00 O ATOM 518 CB ASP A 37 9.910 -2.709 -9.650 1.00 0.00 C ATOM 519 CG ASP A 37 9.916 -2.709 -11.177 1.00 0.00 C ATOM 520 OD1 ASP A 37 9.219 -1.885 -11.818 1.00 0.00 O ATOM 521 OD2 ASP A 37 10.573 -3.604 -11.747 1.00 0.00 O ATOM 0 H ASP A 37 9.259 -0.352 -9.841 1.00 0.00 H new ATOM 0 HA ASP A 37 7.759 -2.668 -9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.752 -2.115 -9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.067 -3.728 -9.297 1.00 0.00 H new ATOM 526 N ARG A 38 8.971 -1.423 -6.689 1.00 0.00 N ATOM 527 CA ARG A 38 8.873 -1.506 -5.234 1.00 0.00 C ATOM 528 C ARG A 38 7.619 -0.815 -4.686 1.00 0.00 C ATOM 529 O ARG A 38 7.517 -0.618 -3.472 1.00 0.00 O ATOM 530 CB ARG A 38 10.146 -0.971 -4.556 1.00 0.00 C ATOM 531 CG ARG A 38 11.346 -1.896 -4.821 1.00 0.00 C ATOM 532 CD ARG A 38 12.587 -1.535 -3.998 1.00 0.00 C ATOM 533 NE ARG A 38 12.343 -1.595 -2.544 1.00 0.00 N ATOM 534 CZ ARG A 38 13.261 -1.408 -1.587 1.00 0.00 C ATOM 535 NH1 ARG A 38 14.537 -1.186 -1.873 1.00 0.00 N ATOM 536 NH2 ARG A 38 12.879 -1.444 -0.314 1.00 0.00 N ATOM 0 H ARG A 38 9.311 -0.520 -7.021 1.00 0.00 H new ATOM 0 HA ARG A 38 8.778 -2.564 -4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.366 0.030 -4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.980 -0.884 -3.482 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.059 -2.924 -4.599 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.598 -1.857 -5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.399 -2.216 -4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.916 -0.531 -4.266 1.00 0.00 H new ATOM 0 HE ARG A 38 11.390 -1.797 -2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.844 -1.154 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.212 -1.047 -1.121 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.901 -1.612 -0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.564 -1.304 0.428 1.00 0.00 H new ATOM 550 N ALA A 39 6.663 -0.432 -5.528 1.00 0.00 N ATOM 551 CA ALA A 39 5.480 0.309 -5.135 1.00 0.00 C ATOM 552 C ALA A 39 4.291 -0.112 -6.003 1.00 0.00 C ATOM 553 O ALA A 39 4.017 0.484 -7.040 1.00 0.00 O ATOM 554 CB ALA A 39 5.811 1.809 -5.191 1.00 0.00 C ATOM 0 H ALA A 39 6.696 -0.636 -6.527 1.00 0.00 H new ATOM 0 HA ALA A 39 5.182 0.086 -4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.934 2.386 -4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.632 2.026 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.102 2.080 -6.206 1.00 0.00 H new ATOM 560 N PHE A 40 3.547 -1.118 -5.534 1.00 0.00 N ATOM 561 CA PHE A 40 2.456 -1.734 -6.285 1.00 0.00 C ATOM 562 C PHE A 40 1.162 -1.018 -5.915 1.00 0.00 C ATOM 563 O PHE A 40 0.967 -0.662 -4.747 1.00 0.00 O ATOM 564 CB PHE A 40 2.261 -3.194 -5.848 1.00 0.00 C ATOM 565 CG PHE A 40 3.108 -4.228 -6.549 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.266 -3.861 -7.250 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.685 -5.570 -6.554 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.919 -4.810 -8.038 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.365 -6.544 -7.305 1.00 0.00 C ATOM 570 CZ PHE A 40 4.458 -6.140 -8.091 1.00 0.00 C ATOM 0 H PHE A 40 3.689 -1.530 -4.612 1.00 0.00 H new ATOM 0 HA PHE A 40 2.690 -1.674 -7.348 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.460 -3.259 -4.778 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.213 -3.456 -5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.649 -2.854 -7.181 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.823 -5.857 -5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.787 -4.522 -8.613 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.055 -7.578 -7.279 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.947 -6.853 -8.739 1.00 0.00 H new ATOM 580 N TYR A 41 0.243 -0.851 -6.864 1.00 0.00 N ATOM 581 CA TYR A 41 -1.117 -0.427 -6.572 1.00 0.00 C ATOM 582 C TYR A 41 -2.158 -1.143 -7.419 1.00 0.00 C ATOM 583 O TYR A 41 -1.852 -1.697 -8.472 1.00 0.00 O ATOM 584 CB TYR A 41 -1.242 1.079 -6.735 1.00 0.00 C ATOM 585 CG TYR A 41 -1.258 1.529 -8.181 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.055 1.703 -8.887 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.487 1.728 -8.831 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.085 2.095 -10.235 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.523 2.151 -10.168 1.00 0.00 C ATOM 590 CZ TYR A 41 -1.317 2.330 -10.883 1.00 0.00 C ATOM 591 OH TYR A 41 -1.350 2.688 -12.198 1.00 0.00 O ATOM 0 H TYR A 41 0.424 -1.007 -7.856 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.319 -0.701 -5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.157 1.415 -6.248 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.411 1.563 -6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.891 1.535 -8.393 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.410 1.554 -8.298 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.840 2.217 -10.779 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.471 2.340 -10.650 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.280 2.808 -12.481 1.00 0.00 H new ATOM 601 N GLY A 42 -3.420 -1.050 -7.002 1.00 0.00 N ATOM 602 CA GLY A 42 -4.478 -1.837 -7.602 1.00 0.00 C ATOM 603 C GLY A 42 -4.522 -3.176 -6.892 1.00 0.00 C ATOM 604 O GLY A 42 -3.487 -3.813 -6.703 1.00 0.00 O ATOM 0 H GLY A 42 -3.727 -0.434 -6.249 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.435 -1.324 -7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.293 -1.976 -8.667 1.00 0.00 H new ATOM 608 N LEU A 43 -5.721 -3.590 -6.472 1.00 0.00 N ATOM 609 CA LEU A 43 -5.965 -4.808 -5.708 1.00 0.00 C ATOM 610 C LEU A 43 -5.172 -5.990 -6.280 1.00 0.00 C ATOM 611 O LEU A 43 -4.462 -6.658 -5.538 1.00 0.00 O ATOM 612 CB LEU A 43 -7.489 -5.052 -5.667 1.00 0.00 C ATOM 613 CG LEU A 43 -7.925 -6.370 -4.998 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.470 -6.482 -3.540 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.451 -6.514 -5.036 1.00 0.00 C ATOM 0 H LEU A 43 -6.575 -3.066 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.609 -4.698 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.959 -4.222 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.871 -5.038 -6.688 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.445 -7.166 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.808 -7.432 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.382 -6.432 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.896 -5.662 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.740 -7.451 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.909 -5.680 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.791 -6.514 -6.072 1.00 0.00 H new ATOM 627 N LYS A 44 -5.218 -6.187 -7.598 1.00 0.00 N ATOM 628 CA LYS A 44 -4.574 -7.301 -8.286 1.00 0.00 C ATOM 629 C LYS A 44 -3.058 -7.282 -8.092 1.00 0.00 C ATOM 630 O LYS A 44 -2.482 -8.337 -7.818 1.00 0.00 O ATOM 631 CB LYS A 44 -5.035 -7.328 -9.763 1.00 0.00 C ATOM 632 CG LYS A 44 -3.959 -7.712 -10.793 1.00 0.00 C ATOM 633 CD LYS A 44 -4.448 -7.506 -12.236 1.00 0.00 C ATOM 634 CE LYS A 44 -4.153 -6.075 -12.719 1.00 0.00 C ATOM 635 NZ LYS A 44 -4.974 -5.706 -13.888 1.00 0.00 N ATOM 0 H LYS A 44 -5.716 -5.560 -8.230 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.889 -8.246 -7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.864 -8.030 -9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.423 -6.343 -10.021 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.064 -7.113 -10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.676 -8.755 -10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.960 -8.224 -12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.519 -7.699 -12.292 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.341 -5.372 -11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.097 -5.990 -12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.744 -4.735 -14.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.776 -6.360 -14.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.982 -5.762 -13.636 1.00 0.00 H new ATOM 649 N GLN A 45 -2.386 -6.137 -8.259 1.00 0.00 N ATOM 650 CA GLN A 45 -0.939 -6.066 -8.071 1.00 0.00 C ATOM 651 C GLN A 45 -0.619 -6.468 -6.632 1.00 0.00 C ATOM 652 O GLN A 45 0.129 -7.408 -6.387 1.00 0.00 O ATOM 653 CB GLN A 45 -0.373 -4.665 -8.350 1.00 0.00 C ATOM 654 CG GLN A 45 -0.426 -4.181 -9.807 1.00 0.00 C ATOM 655 CD GLN A 45 0.343 -2.857 -9.990 1.00 0.00 C ATOM 656 OE1 GLN A 45 1.072 -2.408 -9.107 1.00 0.00 O ATOM 657 NE2 GLN A 45 0.191 -2.173 -11.114 1.00 0.00 N ATOM 0 H GLN A 45 -2.822 -5.253 -8.523 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.472 -6.745 -8.785 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.916 -3.949 -7.733 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.666 -4.646 -8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.001 -4.943 -10.460 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.464 -4.045 -10.109 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.411 -2.535 -11.854 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.676 -1.284 -11.240 1.00 0.00 H new ATOM 666 N VAL A 46 -1.177 -5.756 -5.660 1.00 0.00 N ATOM 667 CA VAL A 46 -0.962 -5.983 -4.240 1.00 0.00 C ATOM 668 C VAL A 46 -1.239 -7.450 -3.850 1.00 0.00 C ATOM 669 O VAL A 46 -0.502 -8.016 -3.040 1.00 0.00 O ATOM 670 CB VAL A 46 -1.795 -4.975 -3.424 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.343 -5.002 -1.965 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.644 -3.520 -3.902 1.00 0.00 C ATOM 0 H VAL A 46 -1.812 -4.980 -5.847 1.00 0.00 H new ATOM 0 HA VAL A 46 0.089 -5.813 -4.005 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.834 -5.279 -3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.932 -4.289 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.485 -6.003 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.288 -4.733 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.259 -2.868 -3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.600 -3.218 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.967 -3.443 -4.940 1.00 0.00 H new ATOM 682 N GLU A 47 -2.237 -8.106 -4.450 1.00 0.00 N ATOM 683 CA GLU A 47 -2.533 -9.520 -4.225 1.00 0.00 C ATOM 684 C GLU A 47 -1.388 -10.445 -4.667 1.00 0.00 C ATOM 685 O GLU A 47 -1.302 -11.572 -4.176 1.00 0.00 O ATOM 686 CB GLU A 47 -3.860 -9.897 -4.911 1.00 0.00 C ATOM 687 CG GLU A 47 -5.045 -9.453 -4.039 1.00 0.00 C ATOM 688 CD GLU A 47 -6.410 -9.830 -4.624 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.730 -9.482 -5.783 1.00 0.00 O ATOM 690 OE2 GLU A 47 -7.195 -10.471 -3.892 1.00 0.00 O ATOM 0 H GLU A 47 -2.870 -7.661 -5.115 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.637 -9.666 -3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.920 -9.423 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.901 -10.974 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.946 -9.901 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.002 -8.372 -3.905 1.00 0.00 H new ATOM 697 N LYS A 48 -0.492 -10.010 -5.559 1.00 0.00 N ATOM 698 CA LYS A 48 0.755 -10.681 -5.915 1.00 0.00 C ATOM 699 C LYS A 48 1.878 -10.254 -4.974 1.00 0.00 C ATOM 700 O LYS A 48 2.642 -11.098 -4.513 1.00 0.00 O ATOM 701 CB LYS A 48 1.052 -10.342 -7.389 1.00 0.00 C ATOM 702 CG LYS A 48 2.491 -10.542 -7.856 1.00 0.00 C ATOM 703 CD LYS A 48 2.928 -11.995 -7.701 1.00 0.00 C ATOM 704 CE LYS A 48 4.385 -12.248 -8.079 1.00 0.00 C ATOM 705 NZ LYS A 48 4.628 -12.171 -9.532 1.00 0.00 N ATOM 0 H LYS A 48 -0.626 -9.140 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 48 0.671 -11.762 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.402 -10.951 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.779 -9.301 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.582 -10.242 -8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.155 -9.897 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.773 -12.302 -6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.288 -12.624 -8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.017 -11.519 -7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.682 -13.233 -7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.512 -12.667 -9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.838 -12.617 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.706 -11.174 -9.819 1.00 0.00 H new ATOM 719 N ALA A 49 1.998 -8.966 -4.656 1.00 0.00 N ATOM 720 CA ALA A 49 3.016 -8.501 -3.716 1.00 0.00 C ATOM 721 C ALA A 49 2.933 -9.234 -2.377 1.00 0.00 C ATOM 722 O ALA A 49 3.959 -9.493 -1.743 1.00 0.00 O ATOM 723 CB ALA A 49 2.838 -7.014 -3.458 1.00 0.00 C ATOM 0 H ALA A 49 1.405 -8.228 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 49 3.988 -8.703 -4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.599 -6.673 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.937 -6.468 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.849 -6.834 -3.036 1.00 0.00 H new ATOM 729 N ASN A 50 1.711 -9.540 -1.938 1.00 0.00 N ATOM 730 CA ASN A 50 1.490 -10.267 -0.706 1.00 0.00 C ATOM 731 C ASN A 50 2.054 -11.685 -0.810 1.00 0.00 C ATOM 732 O ASN A 50 2.787 -12.086 0.083 1.00 0.00 O ATOM 733 CB ASN A 50 0.007 -10.238 -0.334 1.00 0.00 C ATOM 734 CG ASN A 50 -0.207 -10.892 1.011 1.00 0.00 C ATOM 735 OD1 ASN A 50 -0.623 -12.040 1.117 1.00 0.00 O ATOM 736 ND2 ASN A 50 0.080 -10.172 2.071 1.00 0.00 N ATOM 0 H ASN A 50 0.855 -9.288 -2.431 1.00 0.00 H new ATOM 0 HA ASN A 50 2.029 -9.779 0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.348 -9.208 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.576 -10.756 -1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.042 -10.566 3.004 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.425 -9.218 1.962 1.00 0.00 H new ATOM 743 N GLU A 51 1.817 -12.406 -1.910 1.00 0.00 N ATOM 744 CA GLU A 51 2.356 -13.756 -2.134 1.00 0.00 C ATOM 745 C GLU A 51 3.883 -13.801 -2.129 1.00 0.00 C ATOM 746 O GLU A 51 4.471 -14.846 -1.853 1.00 0.00 O ATOM 747 CB GLU A 51 1.952 -14.268 -3.519 1.00 0.00 C ATOM 748 CG GLU A 51 0.471 -14.544 -3.660 1.00 0.00 C ATOM 749 CD GLU A 51 0.180 -15.109 -5.051 1.00 0.00 C ATOM 750 OE1 GLU A 51 0.498 -14.431 -6.056 1.00 0.00 O ATOM 751 OE2 GLU A 51 -0.382 -16.219 -5.187 1.00 0.00 O ATOM 0 H GLU A 51 1.240 -12.067 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 51 1.954 -14.359 -1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.248 -13.534 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.505 -15.183 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.149 -15.251 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.096 -13.626 -3.504 1.00 0.00 H new ATOM 758 N ALA A 52 4.504 -12.689 -2.519 1.00 0.00 N ATOM 759 CA ALA A 52 5.954 -12.513 -2.586 1.00 0.00 C ATOM 760 C ALA A 52 6.560 -12.238 -1.203 1.00 0.00 C ATOM 761 O ALA A 52 7.762 -11.997 -1.108 1.00 0.00 O ATOM 762 CB ALA A 52 6.310 -11.381 -3.567 1.00 0.00 C ATOM 0 H ALA A 52 3.992 -11.855 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 52 6.384 -13.446 -2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.393 -11.261 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.936 -11.629 -4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.854 -10.450 -3.229 1.00 0.00 H new ATOM 768 N MET A 53 5.730 -12.192 -0.153 1.00 0.00 N ATOM 769 CA MET A 53 6.061 -11.824 1.223 1.00 0.00 C ATOM 770 C MET A 53 6.788 -10.475 1.319 1.00 0.00 C ATOM 771 O MET A 53 7.519 -10.211 2.273 1.00 0.00 O ATOM 772 CB MET A 53 6.837 -12.955 1.922 1.00 0.00 C ATOM 773 CG MET A 53 6.118 -14.306 1.883 1.00 0.00 C ATOM 774 SD MET A 53 4.718 -14.382 3.011 1.00 0.00 S ATOM 775 CE MET A 53 3.393 -14.925 1.903 1.00 0.00 C ATOM 0 H MET A 53 4.743 -12.428 -0.253 1.00 0.00 H new ATOM 0 HA MET A 53 5.119 -11.689 1.755 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.814 -13.059 1.451 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.012 -12.676 2.961 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.772 -14.499 0.868 1.00 0.00 H new ATOM 0 HG3 MET A 53 6.825 -15.096 2.135 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.428 -14.763 2.383 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.437 -14.354 0.976 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.515 -15.985 1.682 1.00 0.00 H new ATOM 785 N ALA A 54 6.609 -9.620 0.312 1.00 0.00 N ATOM 786 CA ALA A 54 7.477 -8.487 0.034 1.00 0.00 C ATOM 787 C ALA A 54 6.898 -7.169 0.527 1.00 0.00 C ATOM 788 O ALA A 54 7.582 -6.154 0.433 1.00 0.00 O ATOM 789 CB ALA A 54 7.657 -8.435 -1.483 1.00 0.00 C ATOM 0 H ALA A 54 5.835 -9.703 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 54 8.423 -8.620 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.304 -7.597 -1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.110 -9.365 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.686 -8.306 -1.960 1.00 0.00 H new ATOM 795 N ILE A 55 5.644 -7.152 0.983 1.00 0.00 N ATOM 796 CA ILE A 55 4.981 -5.936 1.427 1.00 0.00 C ATOM 797 C ILE A 55 5.619 -5.494 2.740 1.00 0.00 C ATOM 798 O ILE A 55 5.554 -6.212 3.739 1.00 0.00 O ATOM 799 CB ILE A 55 3.449 -6.125 1.494 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.942 -6.241 0.048 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.786 -4.954 2.247 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.449 -6.507 -0.136 1.00 0.00 C ATOM 0 H ILE A 55 5.062 -7.987 1.053 1.00 0.00 H new ATOM 0 HA ILE A 55 5.122 -5.131 0.706 1.00 0.00 H new ATOM 0 HB ILE A 55 3.190 -7.027 2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.190 -5.317 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.494 -7.043 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.708 -5.108 2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.179 -4.906 3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.002 -4.019 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.219 -6.567 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.185 -7.448 0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.877 -5.696 0.314 1.00 0.00 H new ATOM 814 N ASP A 56 6.223 -4.309 2.708 1.00 0.00 N ATOM 815 CA ASP A 56 6.623 -3.554 3.886 1.00 0.00 C ATOM 816 C ASP A 56 5.372 -2.958 4.528 1.00 0.00 C ATOM 817 O ASP A 56 5.032 -3.300 5.655 1.00 0.00 O ATOM 818 CB ASP A 56 7.615 -2.452 3.493 1.00 0.00 C ATOM 819 CG ASP A 56 7.789 -1.440 4.624 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.633 -1.666 5.518 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.099 -0.399 4.609 1.00 0.00 O ATOM 0 H ASP A 56 6.453 -3.836 1.834 1.00 0.00 H new ATOM 0 HA ASP A 56 7.119 -4.209 4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.579 -2.897 3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.261 -1.943 2.596 1.00 0.00 H new ATOM 826 N THR A 57 4.647 -2.105 3.804 1.00 0.00 N ATOM 827 CA THR A 57 3.497 -1.375 4.319 1.00 0.00 C ATOM 828 C THR A 57 2.405 -1.394 3.257 1.00 0.00 C ATOM 829 O THR A 57 2.695 -1.239 2.075 1.00 0.00 O ATOM 830 CB THR A 57 3.928 0.057 4.686 1.00 0.00 C ATOM 831 OG1 THR A 57 4.835 0.031 5.760 1.00 0.00 O ATOM 832 CG2 THR A 57 2.761 0.925 5.147 1.00 0.00 C ATOM 0 H THR A 57 4.849 -1.901 2.825 1.00 0.00 H new ATOM 0 HA THR A 57 3.104 -1.839 5.224 1.00 0.00 H new ATOM 0 HB THR A 57 4.366 0.473 3.779 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.735 0.237 5.433 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.124 1.923 5.392 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.022 0.994 4.349 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.302 0.479 6.029 1.00 0.00 H new ATOM 840 N LEU A 58 1.152 -1.567 3.676 1.00 0.00 N ATOM 841 CA LEU A 58 -0.043 -1.549 2.844 1.00 0.00 C ATOM 842 C LEU A 58 -0.834 -0.297 3.181 1.00 0.00 C ATOM 843 O LEU A 58 -1.052 -0.025 4.359 1.00 0.00 O ATOM 844 CB LEU A 58 -0.868 -2.798 3.173 1.00 0.00 C ATOM 845 CG LEU A 58 -2.266 -2.846 2.523 1.00 0.00 C ATOM 846 CD1 LEU A 58 -2.233 -3.325 1.074 1.00 0.00 C ATOM 847 CD2 LEU A 58 -3.120 -3.828 3.306 1.00 0.00 C ATOM 0 H LEU A 58 0.935 -1.732 4.659 1.00 0.00 H new ATOM 0 HA LEU A 58 0.208 -1.546 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.307 -3.678 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.984 -2.864 4.255 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.665 -1.832 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.246 -3.337 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.615 -2.650 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.814 -4.330 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.115 -3.878 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.659 -4.815 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.200 -3.496 4.341 1.00 0.00 H new ATOM 859 N LEU A 59 -1.286 0.430 2.161 1.00 0.00 N ATOM 860 CA LEU A 59 -2.167 1.581 2.252 1.00 0.00 C ATOM 861 C LEU A 59 -3.522 1.162 1.688 1.00 0.00 C ATOM 862 O LEU A 59 -3.567 0.578 0.603 1.00 0.00 O ATOM 863 CB LEU A 59 -1.632 2.818 1.494 1.00 0.00 C ATOM 864 CG LEU A 59 -0.214 2.820 0.920 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.088 4.135 0.180 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.944 2.570 1.895 1.00 0.00 C ATOM 0 H LEU A 59 -1.030 0.215 1.197 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.240 1.883 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.315 3.009 0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.707 3.668 2.172 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.244 1.956 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.103 4.105 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.618 4.261 -0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.007 4.972 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.889 2.599 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.944 3.341 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.823 1.592 2.361 1.00 0.00 H new ATOM 878 N ILE A 60 -4.620 1.495 2.365 1.00 0.00 N ATOM 879 CA ILE A 60 -5.954 1.292 1.813 1.00 0.00 C ATOM 880 C ILE A 60 -6.865 2.434 2.262 1.00 0.00 C ATOM 881 O ILE A 60 -6.757 2.898 3.400 1.00 0.00 O ATOM 882 CB ILE A 60 -6.471 -0.114 2.198 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.670 -0.470 1.309 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.834 -0.250 3.689 1.00 0.00 C ATOM 885 CD1 ILE A 60 -8.072 -1.940 1.395 1.00 0.00 C ATOM 0 H ILE A 60 -4.609 1.907 3.298 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.936 1.319 0.723 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.655 -0.817 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.521 0.149 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.431 -0.226 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.189 -1.262 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.952 -0.049 4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.618 0.465 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.925 -2.123 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.236 -2.565 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.342 -2.184 2.422 1.00 0.00 H new ATOM 897 N SER A 61 -7.762 2.877 1.383 1.00 0.00 N ATOM 898 CA SER A 61 -8.814 3.814 1.732 1.00 0.00 C ATOM 899 C SER A 61 -9.846 3.057 2.575 1.00 0.00 C ATOM 900 O SER A 61 -10.249 1.946 2.211 1.00 0.00 O ATOM 901 CB SER A 61 -9.382 4.436 0.448 1.00 0.00 C ATOM 902 OG SER A 61 -9.871 5.740 0.709 1.00 0.00 O ATOM 0 H SER A 61 -7.775 2.591 0.404 1.00 0.00 H new ATOM 0 HA SER A 61 -8.452 4.650 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.608 4.477 -0.318 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.184 3.811 0.057 1.00 0.00 H new ATOM 0 HG SER A 61 -10.563 5.967 0.054 1.00 0.00 H new ATOM 908 N ASP A 62 -10.261 3.622 3.716 1.00 0.00 N ATOM 909 CA ASP A 62 -11.155 2.949 4.662 1.00 0.00 C ATOM 910 C ASP A 62 -12.455 2.517 3.993 1.00 0.00 C ATOM 911 O ASP A 62 -12.974 1.457 4.298 1.00 0.00 O ATOM 912 CB ASP A 62 -11.441 3.783 5.924 1.00 0.00 C ATOM 913 CG ASP A 62 -12.515 4.875 5.801 1.00 0.00 C ATOM 914 OD1 ASP A 62 -12.365 5.850 5.031 1.00 0.00 O ATOM 915 OD2 ASP A 62 -13.482 4.829 6.600 1.00 0.00 O ATOM 0 H ASP A 62 -9.985 4.560 4.008 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.622 2.057 4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.738 3.102 6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.510 4.255 6.238 1.00 0.00 H new ATOM 920 N GLU A 63 -12.941 3.266 3.018 1.00 0.00 N ATOM 921 CA GLU A 63 -14.063 2.898 2.163 1.00 0.00 C ATOM 922 C GLU A 63 -13.976 1.472 1.591 1.00 0.00 C ATOM 923 O GLU A 63 -14.988 0.773 1.582 1.00 0.00 O ATOM 924 CB GLU A 63 -14.163 3.937 1.024 1.00 0.00 C ATOM 925 CG GLU A 63 -12.792 4.174 0.363 1.00 0.00 C ATOM 926 CD GLU A 63 -12.782 5.073 -0.860 1.00 0.00 C ATOM 927 OE1 GLU A 63 -13.414 4.732 -1.885 1.00 0.00 O ATOM 928 OE2 GLU A 63 -12.043 6.088 -0.835 1.00 0.00 O ATOM 0 H GLU A 63 -12.553 4.181 2.790 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.962 2.900 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.876 3.592 0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.546 4.878 1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.122 4.603 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.377 3.207 0.080 1.00 0.00 H new ATOM 935 N LEU A 64 -12.801 1.021 1.142 1.00 0.00 N ATOM 936 CA LEU A 64 -12.599 -0.307 0.563 1.00 0.00 C ATOM 937 C LEU A 64 -12.514 -1.329 1.686 1.00 0.00 C ATOM 938 O LEU A 64 -13.100 -2.411 1.622 1.00 0.00 O ATOM 939 CB LEU A 64 -11.290 -0.358 -0.236 1.00 0.00 C ATOM 940 CG LEU A 64 -11.167 0.629 -1.405 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.815 0.386 -2.071 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.295 0.500 -2.433 1.00 0.00 C ATOM 0 H LEU A 64 -11.949 1.581 1.172 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.434 -0.527 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.463 -0.179 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.167 -1.368 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.246 1.642 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.694 1.072 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.018 0.553 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.767 -0.641 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.145 1.227 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.291 -0.506 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.253 0.687 -1.947 1.00 0.00 H new ATOM 954 N PHE A 65 -11.831 -0.956 2.769 1.00 0.00 N ATOM 955 CA PHE A 65 -11.836 -1.704 4.013 1.00 0.00 C ATOM 956 C PHE A 65 -13.266 -1.924 4.539 1.00 0.00 C ATOM 957 O PHE A 65 -13.472 -2.845 5.334 1.00 0.00 O ATOM 958 CB PHE A 65 -10.975 -0.929 5.019 1.00 0.00 C ATOM 959 CG PHE A 65 -10.618 -1.617 6.309 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.897 -2.825 6.295 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.969 -1.004 7.529 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.545 -3.436 7.512 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.600 -1.613 8.742 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.892 -2.829 8.733 1.00 0.00 C ATOM 0 H PHE A 65 -11.254 -0.115 2.801 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.423 -2.700 3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.047 -0.648 4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.497 -0.004 5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.616 -3.280 5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.517 -0.074 7.532 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.007 -4.373 7.509 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.860 -1.147 9.681 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.614 -3.298 9.666 1.00 0.00 H new ATOM 974 N ARG A 66 -14.255 -1.127 4.105 1.00 0.00 N ATOM 975 CA ARG A 66 -15.668 -1.198 4.480 1.00 0.00 C ATOM 976 C ARG A 66 -16.567 -1.478 3.265 1.00 0.00 C ATOM 977 O ARG A 66 -17.752 -1.154 3.337 1.00 0.00 O ATOM 978 CB ARG A 66 -16.110 0.088 5.215 1.00 0.00 C ATOM 979 CG ARG A 66 -15.122 0.597 6.279 1.00 0.00 C ATOM 980 CD ARG A 66 -15.758 1.098 7.567 1.00 0.00 C ATOM 981 NE ARG A 66 -16.239 0.038 8.469 1.00 0.00 N ATOM 982 CZ ARG A 66 -16.138 0.078 9.806 1.00 0.00 C ATOM 983 NH1 ARG A 66 -15.669 1.156 10.430 1.00 0.00 N ATOM 984 NH2 ARG A 66 -16.507 -0.975 10.520 1.00 0.00 N ATOM 0 H ARG A 66 -14.074 -0.372 3.443 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.782 -2.037 5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.265 0.876 4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.073 -0.096 5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.430 -0.209 6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.531 1.404 5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.031 1.709 8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.595 1.748 7.314 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.678 -0.781 8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.379 1.972 9.891 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.600 1.167 11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.865 -1.808 10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.433 -0.953 11.537 1.00 0.00 H new ATOM 998 N HIS A 67 -16.035 -2.037 2.168 1.00 0.00 N ATOM 999 CA HIS A 67 -16.739 -2.111 0.884 1.00 0.00 C ATOM 1000 C HIS A 67 -18.102 -2.793 1.032 1.00 0.00 C ATOM 1001 O HIS A 67 -18.272 -3.705 1.842 1.00 0.00 O ATOM 1002 CB HIS A 67 -15.875 -2.818 -0.171 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.399 -2.672 -1.576 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.502 -3.332 -2.114 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -15.847 -1.885 -2.537 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.629 -2.878 -3.371 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.648 -2.000 -3.648 1.00 0.00 N ATOM 0 H HIS A 67 -15.103 -2.451 2.149 1.00 0.00 H new ATOM 0 HA HIS A 67 -16.921 -1.092 0.544 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -14.862 -2.418 -0.127 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -15.810 -3.878 0.075 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -14.953 -1.286 -2.445 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.406 -3.175 -4.060 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.521 -1.505 -4.531 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.083 -2.334 0.263 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.466 -2.755 0.397 1.00 0.00 C ATOM 1017 C GLN A 68 -20.754 -4.144 -0.177 1.00 0.00 C ATOM 1018 O GLN A 68 -21.783 -4.737 0.145 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.348 -1.705 -0.278 1.00 0.00 C ATOM 1020 CG GLN A 68 -21.274 -1.715 -1.818 1.00 0.00 C ATOM 1021 CD GLN A 68 -22.143 -0.594 -2.379 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -23.274 -0.406 -1.930 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -21.648 0.185 -3.321 1.00 0.00 N ATOM 0 H GLN A 68 -18.935 -1.650 -0.479 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.685 -2.836 1.462 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.382 -1.865 0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.059 -0.718 0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.242 -1.586 -2.143 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -21.612 -2.678 -2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.709 0.015 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.204 0.957 -3.689 1.00 0.00 H new ATOM 1032 N ASP A 69 -19.926 -4.643 -1.093 1.00 0.00 N ATOM 1033 CA ASP A 69 -19.992 -6.020 -1.553 1.00 0.00 C ATOM 1034 C ASP A 69 -19.101 -6.814 -0.611 1.00 0.00 C ATOM 1035 O ASP A 69 -17.880 -6.669 -0.637 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.535 -6.177 -3.008 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.373 -7.669 -3.325 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.317 -8.454 -3.079 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -18.268 -8.088 -3.735 1.00 0.00 O ATOM 0 H ASP A 69 -19.188 -4.096 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.022 -6.378 -1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.264 -5.726 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.591 -5.655 -3.164 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.692 -7.630 0.256 1.00 0.00 N ATOM 1045 CA VAL A 70 -18.992 -8.326 1.325 1.00 0.00 C ATOM 1046 C VAL A 70 -17.886 -9.231 0.778 1.00 0.00 C ATOM 1047 O VAL A 70 -16.911 -9.472 1.489 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.014 -9.092 2.189 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.342 -9.919 3.292 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -20.974 -8.098 2.848 1.00 0.00 C ATOM 0 H VAL A 70 -20.692 -7.829 0.233 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.489 -7.597 1.961 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.547 -9.774 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.104 -10.439 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.669 -10.648 2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.775 -9.258 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.696 -8.640 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.410 -7.410 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.500 -7.535 2.077 1.00 0.00 H new ATOM 1060 N ALA A 71 -17.992 -9.710 -0.464 1.00 0.00 N ATOM 1061 CA ALA A 71 -16.933 -10.471 -1.111 1.00 0.00 C ATOM 1062 C ALA A 71 -15.739 -9.580 -1.447 1.00 0.00 C ATOM 1063 O ALA A 71 -14.629 -9.870 -1.014 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.475 -11.147 -2.358 1.00 0.00 C ATOM 0 H ALA A 71 -18.819 -9.578 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.582 -11.237 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.679 -11.715 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.287 -11.821 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.849 -10.391 -3.048 1.00 0.00 H new ATOM 1070 N THR A 72 -15.955 -8.487 -2.168 1.00 0.00 N ATOM 1071 CA THR A 72 -14.971 -7.453 -2.482 1.00 0.00 C ATOM 1072 C THR A 72 -14.334 -6.939 -1.188 1.00 0.00 C ATOM 1073 O THR A 72 -13.109 -6.948 -1.066 1.00 0.00 O ATOM 1074 CB THR A 72 -15.697 -6.360 -3.286 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.088 -6.911 -4.529 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.908 -5.082 -3.553 1.00 0.00 C ATOM 0 H THR A 72 -16.870 -8.285 -2.572 1.00 0.00 H new ATOM 0 HA THR A 72 -14.149 -7.835 -3.088 1.00 0.00 H new ATOM 0 HB THR A 72 -16.535 -6.052 -2.661 1.00 0.00 H new ATOM 0 HG1 THR A 72 -17.044 -7.127 -4.505 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.523 -4.388 -4.127 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.629 -4.622 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.007 -5.322 -4.118 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.138 -6.591 -0.176 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.649 -6.261 1.152 1.00 0.00 C ATOM 1086 C ARG A 73 -13.777 -7.384 1.680 1.00 0.00 C ATOM 1087 O ARG A 73 -12.688 -7.096 2.163 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.812 -5.968 2.105 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.276 -5.298 3.370 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.374 -4.959 4.374 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.779 -4.468 5.626 1.00 0.00 N ATOM 1092 CZ ARG A 73 -16.450 -4.174 6.742 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -17.764 -4.290 6.774 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -15.826 -3.734 7.826 1.00 0.00 N ATOM 0 H ARG A 73 -16.152 -6.533 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.043 -5.357 1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.541 -5.320 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.328 -6.893 2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.549 -5.957 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.747 -4.385 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.038 -4.202 3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.981 -5.842 4.573 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.767 -4.341 5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.269 -4.605 5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.275 -4.065 7.627 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.813 -3.614 7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.359 -3.515 8.668 1.00 0.00 H new ATOM 1108 N SER A 74 -14.221 -8.641 1.578 1.00 0.00 N ATOM 1109 CA SER A 74 -13.437 -9.776 2.040 1.00 0.00 C ATOM 1110 C SER A 74 -12.015 -9.716 1.488 1.00 0.00 C ATOM 1111 O SER A 74 -11.084 -9.894 2.257 1.00 0.00 O ATOM 1112 CB SER A 74 -14.135 -11.130 1.792 1.00 0.00 C ATOM 1113 OG SER A 74 -13.841 -11.769 0.569 1.00 0.00 O ATOM 0 H SER A 74 -15.124 -8.892 1.177 1.00 0.00 H new ATOM 0 HA SER A 74 -13.360 -9.701 3.125 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.869 -11.806 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.213 -10.975 1.847 1.00 0.00 H new ATOM 0 HG SER A 74 -13.837 -11.107 -0.153 1.00 0.00 H new ATOM 1119 N ARG A 75 -11.845 -9.391 0.202 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.541 -9.314 -0.465 1.00 0.00 C ATOM 1121 C ARG A 75 -9.685 -8.297 0.260 1.00 0.00 C ATOM 1122 O ARG A 75 -8.604 -8.628 0.735 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.657 -8.929 -1.958 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.638 -9.812 -2.727 1.00 0.00 C ATOM 1125 CD ARG A 75 -11.708 -9.485 -4.213 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.688 -10.334 -4.909 1.00 0.00 N ATOM 1127 CZ ARG A 75 -12.889 -10.334 -6.231 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -12.050 -9.681 -7.023 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -13.940 -10.958 -6.751 1.00 0.00 N ATOM 0 H ARG A 75 -12.625 -9.170 -0.416 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.086 -10.304 -0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.975 -7.889 -2.036 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.673 -8.998 -2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.348 -10.856 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.631 -9.704 -2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.977 -8.437 -4.343 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.724 -9.620 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.254 -10.967 -4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.255 -9.182 -6.623 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.199 -9.678 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.600 -11.441 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.087 -10.954 -7.760 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.182 -7.063 0.370 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.488 -5.999 1.065 1.00 0.00 C ATOM 1145 C TYR A 76 -9.122 -6.400 2.494 1.00 0.00 C ATOM 1146 O TYR A 76 -7.950 -6.321 2.848 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.331 -4.724 1.012 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.549 -4.197 -0.399 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.460 -3.939 -1.257 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.856 -3.976 -0.863 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.677 -3.468 -2.565 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -12.075 -3.490 -2.162 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.991 -3.237 -3.029 1.00 0.00 C ATOM 1154 OH TYR A 76 -11.227 -2.769 -4.289 1.00 0.00 O ATOM 0 H TYR A 76 -11.080 -6.782 -0.024 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.541 -5.803 0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.300 -4.919 1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.845 -3.952 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.452 -4.104 -0.907 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.697 -4.181 -0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.836 -3.282 -3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.084 -3.308 -2.501 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.193 -2.674 -4.427 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.074 -6.818 3.333 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.763 -7.119 4.737 1.00 0.00 C ATOM 1166 C VAL A 77 -8.811 -8.312 4.862 1.00 0.00 C ATOM 1167 O VAL A 77 -7.951 -8.305 5.744 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.020 -7.300 5.611 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.021 -6.167 5.355 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.743 -8.643 5.430 1.00 0.00 C ATOM 0 H VAL A 77 -11.051 -6.955 3.073 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.248 -6.241 5.127 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.649 -7.278 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.902 -6.311 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.557 -5.210 5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.316 -6.173 4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.614 -8.679 6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.064 -8.747 4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.065 -9.458 5.683 1.00 0.00 H new ATOM 1180 N ARG A 78 -8.956 -9.318 3.992 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.093 -10.485 3.950 1.00 0.00 C ATOM 1182 C ARG A 78 -6.686 -10.031 3.633 1.00 0.00 C ATOM 1183 O ARG A 78 -5.782 -10.316 4.402 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.586 -11.500 2.901 1.00 0.00 C ATOM 1185 CG ARG A 78 -9.742 -12.378 3.424 1.00 0.00 C ATOM 1186 CD ARG A 78 -9.276 -13.829 3.507 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.192 -14.704 4.255 1.00 0.00 N ATOM 1188 CZ ARG A 78 -9.869 -15.939 4.668 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -8.721 -16.494 4.297 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -10.682 -16.627 5.462 1.00 0.00 N ATOM 0 H ARG A 78 -9.693 -9.336 3.287 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.111 -10.985 4.918 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.915 -10.965 2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.756 -12.139 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.062 -12.030 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.603 -12.298 2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.157 -14.221 2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.294 -13.859 3.978 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.125 -14.352 4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.078 -15.981 3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.482 -17.433 4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.565 -16.217 5.766 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.423 -17.565 5.768 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.500 -9.276 2.554 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.211 -8.742 2.142 1.00 0.00 C ATOM 1206 C LEU A 79 -4.588 -7.872 3.239 1.00 0.00 C ATOM 1207 O LEU A 79 -3.403 -8.013 3.521 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.432 -7.978 0.832 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.163 -7.375 0.215 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.116 -8.443 -0.125 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.589 -6.651 -1.064 1.00 0.00 C ATOM 0 H LEU A 79 -7.262 -9.014 1.928 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.494 -9.546 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.886 -8.653 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.148 -7.176 1.012 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.699 -6.699 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.237 -7.966 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.830 -8.974 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.536 -9.149 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.715 -6.205 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.050 -7.363 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.307 -5.869 -0.817 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.373 -7.008 3.890 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.934 -6.196 5.029 1.00 0.00 C ATOM 1225 C VAL A 80 -4.396 -7.062 6.166 1.00 0.00 C ATOM 1226 O VAL A 80 -3.523 -6.641 6.927 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.094 -5.288 5.498 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.811 -4.620 6.846 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.387 -4.173 4.489 1.00 0.00 C ATOM 0 H VAL A 80 -6.348 -6.851 3.636 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.107 -5.563 4.708 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.952 -5.953 5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.658 -3.994 7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.657 -5.386 7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.916 -4.004 6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.208 -3.557 4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.498 -3.555 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.663 -4.613 3.531 1.00 0.00 H new ATOM 1239 N ASP A 81 -4.948 -8.251 6.339 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.561 -9.138 7.421 1.00 0.00 C ATOM 1241 C ASP A 81 -3.421 -10.074 7.017 1.00 0.00 C ATOM 1242 O ASP A 81 -2.485 -10.270 7.785 1.00 0.00 O ATOM 1243 CB ASP A 81 -5.807 -9.828 7.958 1.00 0.00 C ATOM 1244 CG ASP A 81 -5.569 -10.204 9.408 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -5.517 -9.252 10.229 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -5.498 -11.414 9.704 1.00 0.00 O ATOM 0 H ASP A 81 -5.677 -8.628 5.733 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.134 -8.567 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.670 -9.167 7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.030 -10.718 7.369 1.00 0.00 H new ATOM 1251 N SER A 82 -3.402 -10.511 5.760 1.00 0.00 N ATOM 1252 CA SER A 82 -2.329 -11.268 5.132 1.00 0.00 C ATOM 1253 C SER A 82 -1.038 -10.442 5.029 1.00 0.00 C ATOM 1254 O SER A 82 0.030 -10.992 4.796 1.00 0.00 O ATOM 1255 CB SER A 82 -2.814 -11.753 3.755 1.00 0.00 C ATOM 1256 OG SER A 82 -2.111 -12.896 3.304 1.00 0.00 O ATOM 0 H SER A 82 -4.177 -10.336 5.121 1.00 0.00 H new ATOM 0 HA SER A 82 -2.082 -12.132 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.878 -11.983 3.808 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.698 -10.949 3.028 1.00 0.00 H new ATOM 0 HG SER A 82 -1.552 -12.654 2.536 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.076 -9.118 5.178 1.00 0.00 N ATOM 1263 CA VAL A 83 0.144 -8.325 5.317 1.00 0.00 C ATOM 1264 C VAL A 83 0.683 -8.453 6.747 1.00 0.00 C ATOM 1265 O VAL A 83 1.901 -8.515 6.917 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.158 -6.884 4.857 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.897 -5.860 5.291 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.241 -6.876 3.319 1.00 0.00 C ATOM 0 H VAL A 83 -1.938 -8.573 5.205 1.00 0.00 H new ATOM 0 HA VAL A 83 0.948 -8.690 4.678 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.096 -6.589 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.614 -4.871 4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.963 -5.844 6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.865 -6.136 4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.454 -5.865 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.709 -7.211 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.036 -7.547 2.994 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.174 -8.552 7.772 1.00 0.00 N ATOM 1279 CA LYS A 84 0.289 -8.798 9.143 1.00 0.00 C ATOM 1280 C LYS A 84 0.919 -10.182 9.250 1.00 0.00 C ATOM 1281 O LYS A 84 1.963 -10.310 9.894 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.840 -8.668 10.173 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.678 -7.405 9.966 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.636 -7.199 11.141 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.660 -6.115 10.812 1.00 0.00 C ATOM 1286 NZ LYS A 84 -4.662 -6.599 9.844 1.00 0.00 N ATOM 0 H LYS A 84 -1.186 -8.466 7.678 1.00 0.00 H new ATOM 0 HA LYS A 84 1.033 -8.034 9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.486 -9.543 10.111 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.413 -8.657 11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.023 -6.539 9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.244 -7.485 9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.148 -8.134 11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.074 -6.918 12.032 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.160 -5.795 11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.150 -5.242 10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.523 -6.019 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.277 -6.528 8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.895 -7.591 10.052 1.00 0.00 H new ATOM 1300 N GLU A 85 0.332 -11.180 8.579 1.00 0.00 N ATOM 1301 CA GLU A 85 0.899 -12.522 8.425 1.00 0.00 C ATOM 1302 C GLU A 85 2.355 -12.434 7.969 1.00 0.00 C ATOM 1303 O GLU A 85 3.224 -13.128 8.488 1.00 0.00 O ATOM 1304 CB GLU A 85 0.118 -13.325 7.380 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.279 -13.757 7.814 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.280 -14.867 8.860 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -0.486 -15.830 8.756 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -2.153 -14.826 9.756 1.00 0.00 O ATOM 0 H GLU A 85 -0.571 -11.073 8.118 1.00 0.00 H new ATOM 0 HA GLU A 85 0.837 -13.019 9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.032 -12.726 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.693 -14.214 7.122 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.809 -12.893 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.834 -14.094 6.939 1.00 0.00 H new ATOM 1315 N ASN A 86 2.618 -11.543 7.014 1.00 0.00 N ATOM 1316 CA ASN A 86 3.869 -11.456 6.267 1.00 0.00 C ATOM 1317 C ASN A 86 4.825 -10.442 6.909 1.00 0.00 C ATOM 1318 O ASN A 86 5.768 -9.983 6.263 1.00 0.00 O ATOM 1319 CB ASN A 86 3.550 -11.127 4.796 1.00 0.00 C ATOM 1320 CG ASN A 86 2.670 -12.177 4.119 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.212 -13.153 4.706 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.419 -12.011 2.837 1.00 0.00 N ATOM 0 H ASN A 86 1.940 -10.836 6.730 1.00 0.00 H new ATOM 0 HA ASN A 86 4.388 -12.414 6.296 1.00 0.00 H new ATOM 0 HB2 ASN A 86 3.051 -10.159 4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.484 -11.033 4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.847 -12.691 2.337 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.797 -11.202 2.344 1.00 0.00 H new ATOM 1329 N ALA A 87 4.578 -10.082 8.176 1.00 0.00 N ATOM 1330 CA ALA A 87 5.322 -9.126 8.991 1.00 0.00 C ATOM 1331 C ALA A 87 5.415 -7.727 8.368 1.00 0.00 C ATOM 1332 O ALA A 87 6.358 -6.988 8.666 1.00 0.00 O ATOM 1333 CB ALA A 87 6.690 -9.700 9.389 1.00 0.00 C ATOM 0 H ALA A 87 3.795 -10.484 8.691 1.00 0.00 H new ATOM 0 HA ALA A 87 4.749 -8.975 9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.228 -8.971 9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.547 -10.616 9.963 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.267 -9.921 8.491 1.00 0.00 H new ATOM 1339 N GLY A 88 4.445 -7.330 7.546 1.00 0.00 N ATOM 1340 CA GLY A 88 4.298 -5.968 7.054 1.00 0.00 C ATOM 1341 C GLY A 88 3.471 -5.113 8.021 1.00 0.00 C ATOM 1342 O GLY A 88 3.178 -5.520 9.149 1.00 0.00 O ATOM 0 H GLY A 88 3.725 -7.963 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.282 -5.519 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.818 -5.982 6.076 1.00 0.00 H new ATOM 1346 N THR A 89 3.112 -3.909 7.588 1.00 0.00 N ATOM 1347 CA THR A 89 2.425 -2.868 8.347 1.00 0.00 C ATOM 1348 C THR A 89 1.154 -2.452 7.594 1.00 0.00 C ATOM 1349 O THR A 89 1.059 -2.611 6.374 1.00 0.00 O ATOM 1350 CB THR A 89 3.439 -1.721 8.533 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.439 -2.152 9.441 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.872 -0.389 9.037 1.00 0.00 C ATOM 0 H THR A 89 3.307 -3.614 6.631 1.00 0.00 H new ATOM 0 HA THR A 89 2.094 -3.202 9.330 1.00 0.00 H new ATOM 0 HB THR A 89 3.818 -1.510 7.533 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.094 -1.435 9.570 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.679 0.339 9.128 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.128 -0.020 8.331 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.406 -0.537 10.011 1.00 0.00 H new ATOM 1360 N VAL A 90 0.166 -1.900 8.306 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.144 -1.575 7.758 1.00 0.00 C ATOM 1362 C VAL A 90 -1.399 -0.082 7.944 1.00 0.00 C ATOM 1363 O VAL A 90 -1.059 0.517 8.970 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.208 -2.456 8.442 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.630 -2.047 8.042 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.004 -3.940 8.094 1.00 0.00 C ATOM 0 H VAL A 90 0.261 -1.665 9.294 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.192 -1.784 6.689 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.087 -2.310 9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.350 -2.692 8.546 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.806 -1.011 8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.747 -2.146 6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.768 -4.538 8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.081 -4.075 7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.018 -4.260 8.430 1.00 0.00 H new ATOM 1376 N ARG A 91 -2.009 0.555 6.950 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.327 1.975 6.963 1.00 0.00 C ATOM 1378 C ARG A 91 -3.738 2.082 6.404 1.00 0.00 C ATOM 1379 O ARG A 91 -3.980 1.659 5.276 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.280 2.719 6.104 1.00 0.00 C ATOM 1381 CG ARG A 91 0.180 2.592 6.568 1.00 0.00 C ATOM 1382 CD ARG A 91 0.502 3.621 7.652 1.00 0.00 C ATOM 1383 NE ARG A 91 1.784 3.392 8.332 1.00 0.00 N ATOM 1384 CZ ARG A 91 1.914 2.831 9.536 1.00 0.00 C ATOM 1385 NH1 ARG A 91 0.923 2.140 10.086 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.060 2.917 10.189 1.00 0.00 N ATOM 0 H ARG A 91 -2.302 0.085 6.093 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.294 2.426 7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.349 2.350 5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.543 3.777 6.080 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.357 1.587 6.951 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.849 2.732 5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.513 4.614 7.204 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.297 3.615 8.393 1.00 0.00 H new ATOM 0 HE ARG A 91 2.635 3.682 7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.040 2.029 9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.044 1.720 11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.848 3.413 9.773 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.156 2.487 11.109 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.652 2.634 7.194 1.00 0.00 N ATOM 1401 CA ILE A 92 -6.070 2.742 6.881 1.00 0.00 C ATOM 1402 C ILE A 92 -6.313 4.239 6.777 1.00 0.00 C ATOM 1403 O ILE A 92 -6.210 4.950 7.779 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.951 2.080 7.969 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.533 0.648 8.373 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.431 2.117 7.544 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.629 -0.413 7.271 1.00 0.00 C ATOM 0 H ILE A 92 -4.416 3.033 8.103 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.335 2.219 5.962 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.799 2.676 8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.505 0.678 8.733 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.155 0.331 9.211 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.043 1.649 8.315 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.745 3.152 7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.554 1.576 6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.312 -1.378 7.666 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.660 -0.484 6.923 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.984 -0.132 6.438 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.561 4.729 5.571 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.656 6.151 5.292 1.00 0.00 C ATOM 1421 C PHE A 93 -8.107 6.542 5.492 1.00 0.00 C ATOM 1422 O PHE A 93 -8.998 5.818 5.049 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.315 6.417 3.822 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.880 6.274 3.364 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.870 5.650 4.125 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.564 6.796 2.104 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.535 5.685 3.686 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -3.243 6.778 1.647 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.213 6.284 2.459 1.00 0.00 C ATOM 0 H PHE A 93 -6.703 4.141 4.750 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.976 6.707 5.937 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.922 5.744 3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.635 7.432 3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.122 5.145 5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.343 7.214 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.756 5.250 4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -3.014 7.148 0.659 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.183 6.364 2.144 1.00 0.00 H new ATOM 1439 N SER A 94 -8.354 7.689 6.119 1.00 0.00 N ATOM 1440 CA SER A 94 -9.675 8.267 6.061 1.00 0.00 C ATOM 1441 C SER A 94 -9.897 8.738 4.625 1.00 0.00 C ATOM 1442 O SER A 94 -9.149 9.586 4.141 1.00 0.00 O ATOM 1443 CB SER A 94 -9.790 9.407 7.077 1.00 0.00 C ATOM 1444 OG SER A 94 -11.070 10.007 7.044 1.00 0.00 O ATOM 0 H SER A 94 -7.669 8.219 6.658 1.00 0.00 H new ATOM 0 HA SER A 94 -10.446 7.543 6.323 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.593 9.024 8.078 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.029 10.159 6.868 1.00 0.00 H new ATOM 0 HG SER A 94 -11.110 10.729 7.705 1.00 0.00 H new ATOM 1450 N SER A 95 -10.947 8.234 3.982 1.00 0.00 N ATOM 1451 CA SER A 95 -11.479 8.733 2.719 1.00 0.00 C ATOM 1452 C SER A 95 -11.848 10.232 2.759 1.00 0.00 C ATOM 1453 O SER A 95 -12.034 10.840 1.703 1.00 0.00 O ATOM 1454 CB SER A 95 -12.680 7.856 2.315 1.00 0.00 C ATOM 1455 OG SER A 95 -13.538 7.573 3.412 1.00 0.00 O ATOM 0 H SER A 95 -11.470 7.436 4.341 1.00 0.00 H new ATOM 0 HA SER A 95 -10.696 8.662 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.248 8.361 1.534 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.316 6.920 1.891 1.00 0.00 H new ATOM 0 HG SER A 95 -13.258 6.736 3.839 1.00 0.00 H new ATOM 1461 N LEU A 96 -11.952 10.848 3.946 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.167 12.289 4.101 1.00 0.00 C ATOM 1463 C LEU A 96 -10.865 13.070 3.903 1.00 0.00 C ATOM 1464 O LEU A 96 -10.893 14.215 3.446 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.706 12.622 5.503 1.00 0.00 C ATOM 1466 CG LEU A 96 -13.968 11.855 5.936 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.386 12.316 7.332 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -15.139 12.074 4.975 1.00 0.00 C ATOM 0 H LEU A 96 -11.888 10.351 4.834 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.894 12.578 3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.918 12.427 6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.921 13.690 5.545 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.722 10.793 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.280 11.774 7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.579 12.118 8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.598 13.385 7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.006 11.512 5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.385 13.135 4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.861 11.731 3.979 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.725 12.502 4.305 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.427 13.106 4.112 1.00 0.00 C ATOM 1482 C HIS A 97 -8.104 13.137 2.619 1.00 0.00 C ATOM 1483 O HIS A 97 -8.485 12.237 1.871 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.384 12.284 4.881 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.126 13.066 5.129 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -4.945 12.987 4.433 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.009 14.067 6.046 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.136 13.952 4.896 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -4.730 14.624 5.901 1.00 0.00 N ATOM 0 H HIS A 97 -9.689 11.599 4.778 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.419 14.129 4.487 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.805 11.963 5.834 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.146 11.382 4.318 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.763 14.375 6.755 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.147 14.161 4.516 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.329 15.386 6.448 1.00 0.00 H new ATOM 1497 N VAL A 98 -7.304 14.113 2.191 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.899 14.247 0.793 1.00 0.00 C ATOM 1499 C VAL A 98 -6.100 13.029 0.309 1.00 0.00 C ATOM 1500 O VAL A 98 -5.964 12.815 -0.895 1.00 0.00 O ATOM 1501 CB VAL A 98 -6.116 15.565 0.631 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.642 15.434 1.051 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -6.195 16.096 -0.801 1.00 0.00 C ATOM 0 H VAL A 98 -6.919 14.832 2.803 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.786 14.283 0.160 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.595 16.278 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.139 16.391 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.587 15.140 2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.154 14.678 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.631 17.026 -0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.774 15.360 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.237 16.281 -1.063 1.00 0.00 H new ATOM 1513 N SER A 99 -5.560 12.224 1.227 1.00 0.00 N ATOM 1514 CA SER A 99 -4.867 10.997 0.892 1.00 0.00 C ATOM 1515 C SER A 99 -5.833 9.955 0.333 1.00 0.00 C ATOM 1516 O SER A 99 -5.389 9.128 -0.453 1.00 0.00 O ATOM 1517 CB SER A 99 -4.171 10.422 2.120 1.00 0.00 C ATOM 1518 OG SER A 99 -5.042 10.439 3.228 1.00 0.00 O ATOM 0 H SER A 99 -5.596 12.415 2.228 1.00 0.00 H new ATOM 0 HA SER A 99 -4.125 11.238 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.848 9.401 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.275 11.002 2.344 1.00 0.00 H new ATOM 0 HG SER A 99 -4.782 11.161 3.838 1.00 0.00 H new ATOM 1524 N GLY A 100 -7.118 9.978 0.703 1.00 0.00 N ATOM 1525 CA GLY A 100 -8.121 9.096 0.127 1.00 0.00 C ATOM 1526 C GLY A 100 -8.447 9.510 -1.304 1.00 0.00 C ATOM 1527 O GLY A 100 -8.817 8.653 -2.109 1.00 0.00 O ATOM 0 H GLY A 100 -7.486 10.612 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.758 8.068 0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.026 9.122 0.733 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.267 10.792 -1.651 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.248 11.221 -3.043 1.00 0.00 C ATOM 1533 C GLU A 101 -6.959 10.732 -3.690 1.00 0.00 C ATOM 1534 O GLU A 101 -7.007 10.117 -4.745 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.387 12.740 -3.213 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.697 13.304 -2.655 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.265 14.358 -3.604 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -9.666 15.451 -3.740 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -11.298 14.089 -4.260 1.00 0.00 O ATOM 0 H GLU A 101 -8.133 11.547 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.117 10.783 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.550 13.230 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.318 12.986 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.419 12.499 -2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.523 13.744 -1.673 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.796 10.964 -3.077 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.531 10.609 -3.707 1.00 0.00 C ATOM 1548 C GLN A 102 -4.428 9.106 -3.972 1.00 0.00 C ATOM 1549 O GLN A 102 -3.843 8.692 -4.971 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.353 11.088 -2.883 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.208 12.607 -2.799 1.00 0.00 C ATOM 1552 CD GLN A 102 -3.878 13.460 -3.885 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -3.340 13.687 -4.966 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -5.072 13.958 -3.614 1.00 0.00 N ATOM 0 H GLN A 102 -5.708 11.392 -2.155 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.503 11.117 -4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.447 10.689 -1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.438 10.672 -3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.602 12.926 -1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.143 12.841 -2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -5.513 13.765 -2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.553 14.535 -4.304 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.975 8.285 -3.077 1.00 0.00 N ATOM 1564 CA LEU A 103 -5.092 6.851 -3.272 1.00 0.00 C ATOM 1565 C LEU A 103 -6.123 6.485 -4.335 1.00 0.00 C ATOM 1566 O LEU A 103 -5.951 5.465 -4.987 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.425 6.133 -1.951 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.731 4.767 -1.829 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.214 4.812 -1.986 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.046 4.143 -0.468 1.00 0.00 C ATOM 0 H LEU A 103 -5.353 8.607 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.118 6.513 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.127 6.764 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.504 5.996 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.124 4.172 -2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.808 3.806 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.962 5.209 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.787 5.454 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.551 3.175 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.688 4.800 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.123 4.009 -0.370 1.00 0.00 H new ATOM 1582 N SER A 104 -7.170 7.284 -4.531 1.00 0.00 N ATOM 1583 CA SER A 104 -8.213 7.073 -5.545 1.00 0.00 C ATOM 1584 C SER A 104 -7.598 6.887 -6.932 1.00 0.00 C ATOM 1585 O SER A 104 -8.018 5.998 -7.672 1.00 0.00 O ATOM 1586 CB SER A 104 -9.177 8.269 -5.582 1.00 0.00 C ATOM 1587 OG SER A 104 -10.373 7.971 -6.275 1.00 0.00 O ATOM 0 H SER A 104 -7.325 8.124 -3.973 1.00 0.00 H new ATOM 0 HA SER A 104 -8.760 6.170 -5.272 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.416 8.572 -4.563 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.684 9.116 -6.059 1.00 0.00 H new ATOM 0 HG SER A 104 -10.957 8.758 -6.273 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.577 7.689 -7.252 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.754 7.627 -8.458 1.00 0.00 C ATOM 1595 C GLN A 105 -4.894 6.360 -8.566 1.00 0.00 C ATOM 1596 O GLN A 105 -4.074 6.240 -9.481 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.895 8.902 -8.496 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.747 10.121 -8.881 1.00 0.00 C ATOM 1599 CD GLN A 105 -6.407 10.874 -7.737 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -7.616 10.773 -7.546 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -5.657 11.668 -6.992 1.00 0.00 N ATOM 0 H GLN A 105 -6.287 8.447 -6.634 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.413 7.572 -9.324 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.436 9.066 -7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.084 8.778 -9.213 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.115 10.819 -9.430 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.527 9.790 -9.567 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.655 11.736 -7.169 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.081 12.212 -6.241 1.00 0.00 H new ATOM 1610 N LEU A 106 -5.053 5.444 -7.616 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.395 4.163 -7.480 1.00 0.00 C ATOM 1612 C LEU A 106 -5.440 3.110 -7.051 1.00 0.00 C ATOM 1613 O LEU A 106 -5.122 2.146 -6.354 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.255 4.284 -6.455 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.205 5.383 -6.701 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.417 5.642 -5.417 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.237 4.986 -7.813 1.00 0.00 C ATOM 0 H LEU A 106 -5.710 5.602 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.960 3.848 -8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.699 4.453 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.738 3.326 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.731 6.288 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.675 6.420 -5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.099 5.965 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.914 4.726 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.508 5.783 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.719 4.068 -7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.792 4.823 -8.737 1.00 0.00 H new ATOM 1629 N THR A 107 -6.714 3.301 -7.412 1.00 0.00 N ATOM 1630 CA THR A 107 -7.890 2.485 -7.070 1.00 0.00 C ATOM 1631 C THR A 107 -8.269 2.491 -5.575 1.00 0.00 C ATOM 1632 O THR A 107 -9.199 1.785 -5.183 1.00 0.00 O ATOM 1633 CB THR A 107 -7.767 1.044 -7.613 1.00 0.00 C ATOM 1634 OG1 THR A 107 -6.963 0.255 -6.763 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.206 0.935 -9.032 1.00 0.00 C ATOM 0 H THR A 107 -6.973 4.094 -7.999 1.00 0.00 H new ATOM 0 HA THR A 107 -8.721 2.977 -7.576 1.00 0.00 H new ATOM 0 HB THR A 107 -8.794 0.681 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.087 0.680 -6.654 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.158 -0.114 -9.325 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.855 1.475 -9.722 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.206 1.367 -9.062 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.544 3.249 -4.752 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.651 3.368 -3.307 1.00 0.00 C ATOM 1645 C GLY A 108 -6.962 2.238 -2.538 1.00 0.00 C ATOM 1646 O GLY A 108 -7.234 2.094 -1.347 1.00 0.00 O ATOM 0 H GLY A 108 -6.802 3.846 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.220 4.320 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.705 3.391 -3.031 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.055 1.463 -3.153 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.253 0.462 -2.443 1.00 0.00 C ATOM 1652 C VAL A 109 -3.863 0.355 -3.085 1.00 0.00 C ATOM 1653 O VAL A 109 -3.746 0.261 -4.311 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.030 -0.873 -2.382 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.243 -1.520 -3.754 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.373 -1.894 -1.448 1.00 0.00 C ATOM 0 H VAL A 109 -5.860 1.514 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.081 0.762 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.005 -0.596 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.795 -2.453 -3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.810 -0.842 -4.392 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.276 -1.727 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.960 -2.813 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.363 -2.110 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.328 -1.487 -0.438 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.807 0.368 -2.266 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.420 0.246 -2.703 1.00 0.00 C ATOM 1668 C ALA A 110 -0.569 -0.382 -1.597 1.00 0.00 C ATOM 1669 O ALA A 110 -1.031 -0.470 -0.465 1.00 0.00 O ATOM 1670 CB ALA A 110 -0.895 1.637 -3.074 1.00 0.00 C ATOM 0 H ALA A 110 -2.900 0.466 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.362 -0.404 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.141 1.559 -3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.501 2.052 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -0.952 2.291 -2.204 1.00 0.00 H new ATOM 1676 N ALA A 111 0.671 -0.789 -1.878 1.00 0.00 N ATOM 1677 CA ALA A 111 1.611 -1.210 -0.843 1.00 0.00 C ATOM 1678 C ALA A 111 3.071 -0.985 -1.292 1.00 0.00 C ATOM 1679 O ALA A 111 3.397 -1.193 -2.467 1.00 0.00 O ATOM 1680 CB ALA A 111 1.385 -2.688 -0.517 1.00 0.00 C ATOM 0 H ALA A 111 1.048 -0.835 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 111 1.436 -0.607 0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.087 -3.002 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.365 -2.830 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.542 -3.287 -1.414 1.00 0.00 H new ATOM 1686 N ILE A 112 3.960 -0.630 -0.358 1.00 0.00 N ATOM 1687 CA ILE A 112 5.398 -0.462 -0.533 1.00 0.00 C ATOM 1688 C ILE A 112 6.022 -1.851 -0.397 1.00 0.00 C ATOM 1689 O ILE A 112 5.534 -2.686 0.373 1.00 0.00 O ATOM 1690 CB ILE A 112 5.987 0.494 0.543 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.382 1.915 0.490 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.515 0.588 0.364 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.755 2.810 1.684 1.00 0.00 C ATOM 0 H ILE A 112 3.670 -0.441 0.602 1.00 0.00 H new ATOM 0 HA ILE A 112 5.613 -0.020 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 112 5.732 0.072 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.709 2.402 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.296 1.833 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.929 1.258 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.956 -0.402 0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.742 0.975 -0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.288 3.788 1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.404 2.350 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.838 2.928 1.726 1.00 0.00 H new ATOM 1705 N LEU A 113 7.127 -2.088 -1.102 1.00 0.00 N ATOM 1706 CA LEU A 113 7.818 -3.364 -1.128 1.00 0.00 C ATOM 1707 C LEU A 113 9.231 -3.251 -0.572 1.00 0.00 C ATOM 1708 O LEU A 113 9.940 -2.257 -0.776 1.00 0.00 O ATOM 1709 CB LEU A 113 7.874 -3.894 -2.560 1.00 0.00 C ATOM 1710 CG LEU A 113 6.481 -4.164 -3.152 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.426 -4.215 -4.671 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.974 -5.505 -2.645 1.00 0.00 C ATOM 0 H LEU A 113 7.572 -1.378 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 113 7.261 -4.056 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.397 -3.173 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.456 -4.815 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 113 5.869 -3.320 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.403 -4.410 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.758 -3.261 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.077 -5.011 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.986 -5.702 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.661 -6.293 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.911 -5.482 -1.557 1.00 0.00 H new ATOM 1724 N ARG A 114 9.668 -4.336 0.060 1.00 0.00 N ATOM 1725 CA ARG A 114 11.049 -4.560 0.458 1.00 0.00 C ATOM 1726 C ARG A 114 11.940 -4.809 -0.747 1.00 0.00 C ATOM 1727 O ARG A 114 13.111 -4.446 -0.708 1.00 0.00 O ATOM 1728 CB ARG A 114 11.131 -5.766 1.401 1.00 0.00 C ATOM 1729 CG ARG A 114 10.355 -5.488 2.692 1.00 0.00 C ATOM 1730 CD ARG A 114 10.860 -6.357 3.848 1.00 0.00 C ATOM 1731 NE ARG A 114 10.780 -5.618 5.114 1.00 0.00 N ATOM 1732 CZ ARG A 114 9.819 -5.669 6.035 1.00 0.00 C ATOM 1733 NH1 ARG A 114 8.787 -6.500 5.934 1.00 0.00 N ATOM 1734 NH2 ARG A 114 9.908 -4.829 7.054 1.00 0.00 N ATOM 0 H ARG A 114 9.050 -5.106 0.316 1.00 0.00 H new ATOM 0 HA ARG A 114 11.398 -3.662 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.725 -6.649 0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.173 -5.982 1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.453 -4.435 2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.294 -5.678 2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 114 10.266 -7.269 3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.890 -6.660 3.661 1.00 0.00 H new ATOM 0 HE ARG A 114 11.557 -4.987 5.313 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.713 -7.126 5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.069 -6.512 6.659 1.00 0.00 H new ATOM 0 HH21 ARG A 114 10.691 -4.177 7.111 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.194 -4.833 7.782 1.00 0.00 H new ATOM 1748 N PHE A 115 11.413 -5.423 -1.804 1.00 0.00 N ATOM 1749 CA PHE A 115 12.188 -5.770 -2.980 1.00 0.00 C ATOM 1750 C PHE A 115 11.296 -5.781 -4.220 1.00 0.00 C ATOM 1751 O PHE A 115 10.081 -5.950 -4.092 1.00 0.00 O ATOM 1752 CB PHE A 115 12.921 -7.099 -2.733 1.00 0.00 C ATOM 1753 CG PHE A 115 12.099 -8.201 -2.099 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.181 -8.932 -2.872 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.274 -8.504 -0.735 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.464 -9.989 -2.284 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.518 -9.526 -0.137 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.611 -10.267 -0.912 1.00 0.00 C ATOM 0 H PHE A 115 10.431 -5.693 -1.863 1.00 0.00 H new ATOM 0 HA PHE A 115 12.952 -5.017 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.305 -7.462 -3.686 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.783 -6.903 -2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.027 -8.683 -3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.991 -7.950 -0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.799 -10.589 -2.887 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.634 -9.741 0.915 1.00 0.00 H new ATOM 0 HZ PHE A 115 10.026 -11.051 -0.455 1.00 0.00 H new ATOM 1768 N PRO A 116 11.877 -5.551 -5.408 1.00 0.00 N ATOM 1769 CA PRO A 116 11.143 -5.400 -6.648 1.00 0.00 C ATOM 1770 C PRO A 116 10.598 -6.757 -7.087 1.00 0.00 C ATOM 1771 O PRO A 116 11.354 -7.691 -7.388 1.00 0.00 O ATOM 1772 CB PRO A 116 12.117 -4.777 -7.643 1.00 0.00 C ATOM 1773 CG PRO A 116 13.493 -5.190 -7.133 1.00 0.00 C ATOM 1774 CD PRO A 116 13.305 -5.428 -5.640 1.00 0.00 C ATOM 0 HA PRO A 116 10.271 -4.753 -6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.941 -5.144 -8.654 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.014 -3.692 -7.675 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.846 -6.091 -7.635 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.233 -4.411 -7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.827 -6.332 -5.325 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.720 -4.602 -5.062 1.00 0.00 H new ATOM 1782 N VAL A 117 9.275 -6.876 -7.067 1.00 0.00 N ATOM 1783 CA VAL A 117 8.560 -8.103 -7.398 1.00 0.00 C ATOM 1784 C VAL A 117 8.662 -8.276 -8.925 1.00 0.00 C ATOM 1785 O VAL A 117 8.230 -7.366 -9.636 1.00 0.00 O ATOM 1786 CB VAL A 117 7.095 -7.971 -6.945 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.252 -9.196 -7.335 1.00 0.00 C ATOM 1788 CG2 VAL A 117 6.900 -7.734 -5.439 1.00 0.00 C ATOM 0 H VAL A 117 8.656 -6.105 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 117 8.982 -8.973 -6.896 1.00 0.00 H new ATOM 0 HB VAL A 117 6.757 -7.080 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.226 -9.055 -6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.261 -9.314 -8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.670 -10.089 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.836 -7.654 -5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.325 -8.569 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.401 -6.811 -5.148 1.00 0.00 H new ATOM 1798 N PRO A 118 9.200 -9.393 -9.451 1.00 0.00 N ATOM 1799 CA PRO A 118 9.528 -9.549 -10.868 1.00 0.00 C ATOM 1800 C PRO A 118 8.273 -9.809 -11.716 1.00 0.00 C ATOM 1801 O PRO A 118 7.937 -10.953 -12.044 1.00 0.00 O ATOM 1802 CB PRO A 118 10.535 -10.704 -10.915 1.00 0.00 C ATOM 1803 CG PRO A 118 10.085 -11.587 -9.756 1.00 0.00 C ATOM 1804 CD PRO A 118 9.606 -10.579 -8.710 1.00 0.00 C ATOM 0 HA PRO A 118 9.955 -8.642 -11.297 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.499 -11.235 -11.866 1.00 0.00 H new ATOM 0 HB3 PRO A 118 11.559 -10.354 -10.784 1.00 0.00 H new ATOM 0 HG2 PRO A 118 9.287 -12.267 -10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 118 10.902 -12.201 -9.378 1.00 0.00 H new ATOM 0 HD2 PRO A 118 8.774 -10.982 -8.132 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.401 -10.344 -8.002 1.00 0.00 H new ATOM 1812 N SER A 119 7.563 -8.748 -12.073 1.00 0.00 N ATOM 1813 CA SER A 119 6.360 -8.742 -12.890 1.00 0.00 C ATOM 1814 C SER A 119 6.434 -7.526 -13.829 1.00 0.00 C ATOM 1815 O SER A 119 7.513 -6.967 -14.028 1.00 0.00 O ATOM 1816 CB SER A 119 5.132 -8.805 -11.966 1.00 0.00 C ATOM 1817 OG SER A 119 4.981 -10.115 -11.447 1.00 0.00 O ATOM 0 H SER A 119 7.830 -7.808 -11.780 1.00 0.00 H new ATOM 0 HA SER A 119 6.270 -9.615 -13.536 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.245 -8.092 -11.149 1.00 0.00 H new ATOM 0 HB3 SER A 119 4.237 -8.518 -12.518 1.00 0.00 H new ATOM 0 HG SER A 119 5.777 -10.645 -11.660 1.00 0.00 H new ATOM 1823 N GLY A 120 5.340 -7.126 -14.473 1.00 0.00 N ATOM 1824 CA GLY A 120 5.295 -5.894 -15.242 1.00 0.00 C ATOM 1825 C GLY A 120 3.875 -5.353 -15.196 1.00 0.00 C ATOM 1826 O GLY A 120 2.945 -6.124 -15.465 1.00 0.00 O ATOM 0 H GLY A 120 4.464 -7.648 -14.474 1.00 0.00 H new ATOM 0 HA2 GLY A 120 5.993 -5.164 -14.831 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.598 -6.079 -16.273 1.00 0.00 H new ATOM 1830 N PRO A 121 3.662 -4.083 -14.825 1.00 0.00 N ATOM 1831 CA PRO A 121 2.351 -3.468 -14.896 1.00 0.00 C ATOM 1832 C PRO A 121 1.970 -3.255 -16.363 1.00 0.00 C ATOM 1833 O PRO A 121 2.821 -3.168 -17.253 1.00 0.00 O ATOM 1834 CB PRO A 121 2.475 -2.163 -14.109 1.00 0.00 C ATOM 1835 CG PRO A 121 3.939 -1.778 -14.316 1.00 0.00 C ATOM 1836 CD PRO A 121 4.657 -3.126 -14.375 1.00 0.00 C ATOM 0 HA PRO A 121 1.557 -4.081 -14.470 1.00 0.00 H new ATOM 0 HB2 PRO A 121 1.798 -1.397 -14.488 1.00 0.00 H new ATOM 0 HB3 PRO A 121 2.239 -2.303 -13.054 1.00 0.00 H new ATOM 0 HG2 PRO A 121 4.078 -1.208 -15.235 1.00 0.00 H new ATOM 0 HG3 PRO A 121 4.311 -1.160 -13.499 1.00 0.00 H new ATOM 0 HD2 PRO A 121 5.503 -3.089 -15.061 1.00 0.00 H new ATOM 0 HD3 PRO A 121 5.052 -3.402 -13.397 1.00 0.00 H new ATOM 1844 N SER A 122 0.670 -3.185 -16.601 1.00 0.00 N ATOM 1845 CA SER A 122 0.062 -3.206 -17.913 1.00 0.00 C ATOM 1846 C SER A 122 0.002 -1.796 -18.503 1.00 0.00 C ATOM 1847 O SER A 122 0.644 -1.493 -19.508 1.00 0.00 O ATOM 1848 CB SER A 122 -1.325 -3.834 -17.733 1.00 0.00 C ATOM 1849 OG SER A 122 -1.951 -3.389 -16.533 1.00 0.00 O ATOM 0 H SER A 122 -0.016 -3.109 -15.850 1.00 0.00 H new ATOM 0 HA SER A 122 0.644 -3.792 -18.624 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.953 -3.581 -18.587 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.234 -4.920 -17.715 1.00 0.00 H new ATOM 0 HG SER A 122 -2.834 -3.807 -16.450 1.00 0.00 H new ATOM 1855 N SER A 123 -0.797 -0.938 -17.876 1.00 0.00 N ATOM 1856 CA SER A 123 -1.034 0.449 -18.236 1.00 0.00 C ATOM 1857 C SER A 123 -0.891 1.282 -16.956 1.00 0.00 C ATOM 1858 O SER A 123 -0.564 0.733 -15.893 1.00 0.00 O ATOM 1859 CB SER A 123 -2.420 0.543 -18.895 1.00 0.00 C ATOM 1860 OG SER A 123 -2.562 1.725 -19.654 1.00 0.00 O ATOM 0 H SER A 123 -1.328 -1.214 -17.050 1.00 0.00 H new ATOM 0 HA SER A 123 -0.319 0.838 -18.961 1.00 0.00 H new ATOM 0 HB2 SER A 123 -2.576 -0.323 -19.539 1.00 0.00 H new ATOM 0 HB3 SER A 123 -3.191 0.511 -18.125 1.00 0.00 H new ATOM 0 HG SER A 123 -3.454 1.749 -20.059 1.00 0.00 H new ATOM 1866 N GLY A 124 -1.079 2.597 -17.030 1.00 0.00 N ATOM 1867 CA GLY A 124 -0.929 3.494 -15.895 1.00 0.00 C ATOM 1868 C GLY A 124 -1.873 4.658 -16.028 1.00 0.00 C ATOM 1869 O GLY A 124 -3.084 4.402 -16.221 1.00 0.00 O ATOM 0 H GLY A 124 -1.343 3.073 -17.893 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -1.130 2.957 -14.968 1.00 0.00 H new ATOM 0 HA3 GLY A 124 0.098 3.854 -15.839 1.00 0.00 H new TER 1873 GLY A 124