USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 GLY N :NH3+ -131:sc= 0.078 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.0411 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 19 GLN : amide:sc= -0.018 K(o=-0.018,f=-2.1) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0195 F(o=-1,f=-0.02) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0.0781 K(o=0.078,f=-1.4) USER MOD Single : A 25 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 0 GLY N :NH3+ -118:sc= 0.0998 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0.0206 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 76:sc= 0.425 USER MOD Single : B 17 GLN : amide:sc= 0.219 X(o=0.22,f=0) USER MOD Single : B 19 GLN : amide:sc= 0.00845 X(o=0.0085,f=0) USER MOD Single : B 20 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0042) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HE2:sc= 0.459 K(o=0.46,f=-2.3!) USER MOD Single : B 25 ASN :FLIP amide:sc=-0.00756 F(o=-1.6!,f=-0.0076) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 139:sc= 0.066 (180deg=-0.245) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -25.999 4.764 -3.615 1.00 0.00 N ATOM 2 CA GLY A 0 -25.531 5.626 -2.505 1.00 0.00 C ATOM 3 C GLY A 0 -26.072 5.171 -1.170 1.00 0.00 C ATOM 4 O GLY A 0 -26.476 4.017 -1.022 1.00 0.00 O ATOM 0 H1 GLY A 0 -25.188 4.485 -4.203 1.00 0.00 H new ATOM 0 H2 GLY A 0 -26.454 3.913 -3.226 1.00 0.00 H new ATOM 0 H3 GLY A 0 -26.684 5.288 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -24.441 5.620 -2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -25.840 6.655 -2.690 1.00 0.00 H new ATOM 7 N ALA A 1 -26.095 6.080 -0.205 1.00 0.00 N ATOM 8 CA ALA A 1 -26.560 5.770 1.144 1.00 0.00 C ATOM 9 C ALA A 1 -26.714 7.050 1.946 1.00 0.00 C ATOM 10 O ALA A 1 -27.771 7.324 2.516 1.00 0.00 O ATOM 11 CB ALA A 1 -25.594 4.822 1.846 1.00 0.00 C ATOM 0 H ALA A 1 -25.795 7.047 -0.331 1.00 0.00 H new ATOM 0 HA ALA A 1 -27.529 5.276 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -25.961 4.605 2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -25.518 3.894 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.611 5.288 1.912 1.00 0.00 H new ATOM 17 N GLY A 2 -25.654 7.838 1.972 1.00 0.00 N ATOM 18 CA GLY A 2 -25.670 9.098 2.679 1.00 0.00 C ATOM 19 C GLY A 2 -24.426 9.898 2.376 1.00 0.00 C ATOM 20 O GLY A 2 -23.435 9.336 1.908 1.00 0.00 O ATOM 0 H GLY A 2 -24.771 7.623 1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -26.554 9.669 2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -25.740 8.918 3.752 1.00 0.00 H new ATOM 24 N SER A 3 -24.462 11.192 2.649 1.00 0.00 N ATOM 25 CA SER A 3 -23.342 12.067 2.338 1.00 0.00 C ATOM 26 C SER A 3 -22.168 11.763 3.259 1.00 0.00 C ATOM 27 O SER A 3 -21.035 11.602 2.806 1.00 0.00 O ATOM 28 CB SER A 3 -23.761 13.534 2.462 1.00 0.00 C ATOM 29 OG SER A 3 -22.754 14.407 1.972 1.00 0.00 O ATOM 0 H SER A 3 -25.256 11.661 3.086 1.00 0.00 H new ATOM 0 HA SER A 3 -23.030 11.887 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.686 13.697 1.909 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.969 13.767 3.506 1.00 0.00 H new ATOM 0 HG SER A 3 -23.053 15.336 2.064 1.00 0.00 H new ATOM 35 N SER A 4 -22.453 11.647 4.553 1.00 0.00 N ATOM 36 CA SER A 4 -21.431 11.333 5.538 1.00 0.00 C ATOM 37 C SER A 4 -20.846 9.947 5.286 1.00 0.00 C ATOM 38 O SER A 4 -19.641 9.733 5.408 1.00 0.00 O ATOM 39 CB SER A 4 -22.039 11.416 6.936 1.00 0.00 C ATOM 40 OG SER A 4 -23.318 10.804 6.960 1.00 0.00 O ATOM 0 H SER A 4 -23.388 11.767 4.942 1.00 0.00 H new ATOM 0 HA SER A 4 -20.619 12.055 5.456 1.00 0.00 H new ATOM 0 HB2 SER A 4 -21.382 10.926 7.654 1.00 0.00 H new ATOM 0 HB3 SER A 4 -22.123 12.459 7.241 1.00 0.00 H new ATOM 0 HG SER A 4 -23.693 10.864 7.864 1.00 0.00 H new ATOM 46 N SER A 5 -21.713 9.018 4.906 1.00 0.00 N ATOM 47 CA SER A 5 -21.301 7.652 4.635 1.00 0.00 C ATOM 48 C SER A 5 -20.426 7.592 3.382 1.00 0.00 C ATOM 49 O SER A 5 -19.386 6.931 3.374 1.00 0.00 O ATOM 50 CB SER A 5 -22.534 6.758 4.474 1.00 0.00 C ATOM 51 OG SER A 5 -22.171 5.398 4.302 1.00 0.00 O ATOM 0 H SER A 5 -22.710 9.189 4.779 1.00 0.00 H new ATOM 0 HA SER A 5 -20.711 7.290 5.477 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.173 6.857 5.351 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.117 7.091 3.615 1.00 0.00 H new ATOM 0 HG SER A 5 -22.980 4.853 4.204 1.00 0.00 H new ATOM 57 N LEU A 6 -20.844 8.297 2.333 1.00 0.00 N ATOM 58 CA LEU A 6 -20.099 8.304 1.083 1.00 0.00 C ATOM 59 C LEU A 6 -18.759 9.002 1.270 1.00 0.00 C ATOM 60 O LEU A 6 -17.739 8.539 0.761 1.00 0.00 O ATOM 61 CB LEU A 6 -20.908 8.979 -0.027 1.00 0.00 C ATOM 62 CG LEU A 6 -20.301 8.879 -1.429 1.00 0.00 C ATOM 63 CD1 LEU A 6 -20.098 7.423 -1.826 1.00 0.00 C ATOM 64 CD2 LEU A 6 -21.194 9.582 -2.439 1.00 0.00 C ATOM 0 H LEU A 6 -21.690 8.867 2.326 1.00 0.00 H new ATOM 0 HA LEU A 6 -19.914 7.271 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -21.905 8.538 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -21.031 10.033 0.224 1.00 0.00 H new ATOM 0 HG LEU A 6 -19.328 9.369 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -19.666 7.375 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -19.425 6.943 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -21.058 6.907 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -20.752 9.504 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -22.178 9.114 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -21.293 10.633 -2.168 1.00 0.00 H new ATOM 76 N GLU A 7 -18.766 10.105 2.011 1.00 0.00 N ATOM 77 CA GLU A 7 -17.533 10.809 2.343 1.00 0.00 C ATOM 78 C GLU A 7 -16.573 9.899 3.090 1.00 0.00 C ATOM 79 O GLU A 7 -15.394 9.824 2.751 1.00 0.00 O ATOM 80 CB GLU A 7 -17.826 12.049 3.189 1.00 0.00 C ATOM 81 CG GLU A 7 -18.237 13.259 2.375 1.00 0.00 C ATOM 82 CD GLU A 7 -17.136 13.723 1.445 1.00 0.00 C ATOM 83 OE1 GLU A 7 -16.135 14.284 1.939 1.00 0.00 O ATOM 84 OE2 GLU A 7 -17.267 13.523 0.222 1.00 0.00 O ATOM 0 H GLU A 7 -19.611 10.530 2.393 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.069 11.120 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.618 11.814 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.939 12.298 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -19.125 13.018 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.509 14.072 3.048 1.00 0.00 H new ATOM 91 N ALA A 8 -17.085 9.203 4.100 1.00 0.00 N ATOM 92 CA ALA A 8 -16.273 8.298 4.902 1.00 0.00 C ATOM 93 C ALA A 8 -15.618 7.229 4.030 1.00 0.00 C ATOM 94 O ALA A 8 -14.398 7.069 4.046 1.00 0.00 O ATOM 95 CB ALA A 8 -17.120 7.651 5.987 1.00 0.00 C ATOM 0 H ALA A 8 -18.064 9.250 4.383 1.00 0.00 H new ATOM 0 HA ALA A 8 -15.481 8.880 5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.501 6.977 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -17.535 8.424 6.634 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -17.932 7.088 5.527 1.00 0.00 H new ATOM 101 N VAL A 9 -16.432 6.520 3.257 1.00 0.00 N ATOM 102 CA VAL A 9 -15.932 5.450 2.400 1.00 0.00 C ATOM 103 C VAL A 9 -14.967 5.991 1.347 1.00 0.00 C ATOM 104 O VAL A 9 -13.848 5.495 1.212 1.00 0.00 O ATOM 105 CB VAL A 9 -17.083 4.696 1.697 1.00 0.00 C ATOM 106 CG1 VAL A 9 -16.539 3.609 0.781 1.00 0.00 C ATOM 107 CG2 VAL A 9 -18.038 4.104 2.719 1.00 0.00 C ATOM 0 H VAL A 9 -17.440 6.666 3.205 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.402 4.752 3.048 1.00 0.00 H new ATOM 0 HB VAL A 9 -17.633 5.412 1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.368 3.092 0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.900 4.059 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -15.959 2.896 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.841 3.577 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -17.499 3.406 3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.460 4.903 3.328 1.00 0.00 H new ATOM 117 N ARG A 10 -15.400 7.015 0.617 1.00 0.00 N ATOM 118 CA ARG A 10 -14.601 7.579 -0.466 1.00 0.00 C ATOM 119 C ARG A 10 -13.267 8.111 0.044 1.00 0.00 C ATOM 120 O ARG A 10 -12.213 7.788 -0.500 1.00 0.00 O ATOM 121 CB ARG A 10 -15.360 8.705 -1.175 1.00 0.00 C ATOM 122 CG ARG A 10 -14.540 9.399 -2.257 1.00 0.00 C ATOM 123 CD ARG A 10 -15.268 10.603 -2.826 1.00 0.00 C ATOM 124 NE ARG A 10 -16.508 10.228 -3.500 1.00 0.00 N ATOM 125 CZ ARG A 10 -17.554 11.038 -3.640 1.00 0.00 C ATOM 126 NH1 ARG A 10 -17.530 12.268 -3.145 1.00 0.00 N ATOM 127 NH2 ARG A 10 -18.635 10.612 -4.279 1.00 0.00 N ATOM 0 H ARG A 10 -16.301 7.472 0.756 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.407 6.774 -1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.267 8.297 -1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -15.673 9.443 -0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.583 9.715 -1.842 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.323 8.693 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.491 11.304 -2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.616 11.121 -3.529 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.576 9.287 -3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.703 12.603 -2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.338 12.879 -3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.662 9.667 -4.661 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.439 11.230 -4.389 1.00 0.00 H new ATOM 141 N ARG A 11 -13.311 8.918 1.094 1.00 0.00 N ATOM 142 CA ARG A 11 -12.108 9.560 1.604 1.00 0.00 C ATOM 143 C ARG A 11 -11.155 8.527 2.193 1.00 0.00 C ATOM 144 O ARG A 11 -9.937 8.680 2.114 1.00 0.00 O ATOM 145 CB ARG A 11 -12.475 10.618 2.644 1.00 0.00 C ATOM 146 CG ARG A 11 -11.328 11.551 2.996 1.00 0.00 C ATOM 147 CD ARG A 11 -11.822 12.776 3.741 1.00 0.00 C ATOM 148 NE ARG A 11 -12.851 13.487 2.985 1.00 0.00 N ATOM 149 CZ ARG A 11 -12.601 14.491 2.148 1.00 0.00 C ATOM 150 NH1 ARG A 11 -11.358 14.921 1.966 1.00 0.00 N ATOM 151 NH2 ARG A 11 -13.599 15.074 1.494 1.00 0.00 N ATOM 0 H ARG A 11 -14.163 9.143 1.608 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.598 10.053 0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.311 11.209 2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.818 10.120 3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.599 11.020 3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.815 11.859 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.223 12.476 4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.985 13.446 3.936 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.821 13.196 3.106 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.587 14.481 2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.174 15.691 1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.557 14.752 1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.408 15.844 0.852 1.00 0.00 H new ATOM 165 N LYS A 12 -11.713 7.463 2.756 1.00 0.00 N ATOM 166 CA LYS A 12 -10.904 6.388 3.308 1.00 0.00 C ATOM 167 C LYS A 12 -10.144 5.664 2.197 1.00 0.00 C ATOM 168 O LYS A 12 -8.923 5.517 2.267 1.00 0.00 O ATOM 169 CB LYS A 12 -11.780 5.397 4.085 1.00 0.00 C ATOM 170 CG LYS A 12 -10.997 4.284 4.777 1.00 0.00 C ATOM 171 CD LYS A 12 -10.065 4.825 5.854 1.00 0.00 C ATOM 172 CE LYS A 12 -10.835 5.516 6.969 1.00 0.00 C ATOM 173 NZ LYS A 12 -9.942 5.967 8.071 1.00 0.00 N ATOM 0 H LYS A 12 -12.720 7.323 2.842 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.181 6.825 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.352 5.944 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.499 4.949 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.694 3.575 5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.415 3.736 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.477 4.007 6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.362 5.528 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.369 6.374 6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.585 4.833 7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.509 6.432 8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.451 5.146 8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.242 6.639 7.697 1.00 0.00 H new ATOM 187 N ILE A 13 -10.858 5.235 1.160 1.00 0.00 N ATOM 188 CA ILE A 13 -10.235 4.474 0.083 1.00 0.00 C ATOM 189 C ILE A 13 -9.343 5.358 -0.786 1.00 0.00 C ATOM 190 O ILE A 13 -8.367 4.884 -1.368 1.00 0.00 O ATOM 191 CB ILE A 13 -11.276 3.722 -0.789 1.00 0.00 C ATOM 192 CG1 ILE A 13 -12.312 4.672 -1.403 1.00 0.00 C ATOM 193 CG2 ILE A 13 -11.975 2.653 0.038 1.00 0.00 C ATOM 194 CD1 ILE A 13 -11.916 5.225 -2.757 1.00 0.00 C ATOM 0 H ILE A 13 -11.858 5.399 1.043 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.608 3.722 0.562 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.735 3.254 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.261 4.144 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -12.479 5.503 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.703 2.131 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.238 1.941 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.485 3.120 0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -12.700 5.887 -3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.984 5.783 -2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.778 4.403 -3.460 1.00 0.00 H new ATOM 206 N ARG A 14 -9.666 6.645 -0.862 1.00 0.00 N ATOM 207 CA ARG A 14 -8.853 7.585 -1.621 1.00 0.00 C ATOM 208 C ARG A 14 -7.553 7.865 -0.877 1.00 0.00 C ATOM 209 O ARG A 14 -6.484 7.954 -1.485 1.00 0.00 O ATOM 210 CB ARG A 14 -9.616 8.889 -1.877 1.00 0.00 C ATOM 211 CG ARG A 14 -8.953 9.789 -2.909 1.00 0.00 C ATOM 212 CD ARG A 14 -9.756 11.059 -3.151 1.00 0.00 C ATOM 213 NE ARG A 14 -9.695 11.981 -2.015 1.00 0.00 N ATOM 214 CZ ARG A 14 -9.957 13.286 -2.101 1.00 0.00 C ATOM 215 NH1 ARG A 14 -10.365 13.812 -3.249 1.00 0.00 N ATOM 216 NH2 ARG A 14 -9.819 14.067 -1.035 1.00 0.00 N ATOM 0 H ARG A 14 -10.481 7.058 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.620 7.138 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -10.626 8.650 -2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.711 9.435 -0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.950 10.052 -2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.841 9.245 -3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.379 11.560 -4.043 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.796 10.797 -3.348 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.437 11.603 -1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.479 13.218 -4.070 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.564 14.810 -3.310 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.512 13.669 -0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.020 15.065 -1.104 1.00 0.00 H new ATOM 230 N SER A 15 -7.651 7.989 0.444 1.00 0.00 N ATOM 231 CA SER A 15 -6.477 8.172 1.285 1.00 0.00 C ATOM 232 C SER A 15 -5.625 6.909 1.256 1.00 0.00 C ATOM 233 O SER A 15 -4.398 6.973 1.293 1.00 0.00 O ATOM 234 CB SER A 15 -6.893 8.500 2.724 1.00 0.00 C ATOM 235 OG SER A 15 -5.781 8.923 3.499 1.00 0.00 O ATOM 0 H SER A 15 -8.534 7.966 0.954 1.00 0.00 H new ATOM 0 HA SER A 15 -5.892 9.007 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.652 9.282 2.716 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.346 7.621 3.183 1.00 0.00 H new ATOM 0 HG SER A 15 -6.076 9.127 4.411 1.00 0.00 H new ATOM 241 N LEU A 16 -6.290 5.761 1.177 1.00 0.00 N ATOM 242 CA LEU A 16 -5.601 4.487 1.037 1.00 0.00 C ATOM 243 C LEU A 16 -4.763 4.482 -0.238 1.00 0.00 C ATOM 244 O LEU A 16 -3.598 4.092 -0.222 1.00 0.00 O ATOM 245 CB LEU A 16 -6.609 3.334 1.013 1.00 0.00 C ATOM 246 CG LEU A 16 -6.005 1.934 0.860 1.00 0.00 C ATOM 247 CD1 LEU A 16 -5.132 1.590 2.058 1.00 0.00 C ATOM 248 CD2 LEU A 16 -7.105 0.898 0.684 1.00 0.00 C ATOM 0 H LEU A 16 -7.307 5.689 1.208 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.941 4.351 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.189 3.362 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.307 3.501 0.193 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.377 1.926 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.713 0.592 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.322 2.315 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.734 1.616 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.660 -0.091 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.758 0.909 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.687 1.133 -0.208 1.00 0.00 H new ATOM 260 N GLN A 17 -5.358 4.935 -1.336 1.00 0.00 N ATOM 261 CA GLN A 17 -4.653 5.022 -2.611 1.00 0.00 C ATOM 262 C GLN A 17 -3.470 5.983 -2.508 1.00 0.00 C ATOM 263 O GLN A 17 -2.402 5.729 -3.064 1.00 0.00 O ATOM 264 CB GLN A 17 -5.606 5.464 -3.726 1.00 0.00 C ATOM 265 CG GLN A 17 -6.734 4.477 -3.980 1.00 0.00 C ATOM 266 CD GLN A 17 -7.711 4.958 -5.033 1.00 0.00 C ATOM 267 OE1 GLN A 17 -7.343 5.681 -5.958 1.00 0.00 O ATOM 268 NE2 GLN A 17 -8.966 4.564 -4.895 1.00 0.00 N ATOM 0 H GLN A 17 -6.328 5.248 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.271 4.031 -2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.032 6.433 -3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.038 5.601 -4.646 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.311 3.522 -4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.271 4.298 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.229 3.964 -4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.671 4.860 -5.571 1.00 0.00 H new ATOM 277 N GLU A 18 -3.662 7.076 -1.777 1.00 0.00 N ATOM 278 CA GLU A 18 -2.584 8.019 -1.519 1.00 0.00 C ATOM 279 C GLU A 18 -1.465 7.326 -0.751 1.00 0.00 C ATOM 280 O GLU A 18 -0.293 7.427 -1.117 1.00 0.00 O ATOM 281 CB GLU A 18 -3.106 9.229 -0.739 1.00 0.00 C ATOM 282 CG GLU A 18 -2.016 10.200 -0.321 1.00 0.00 C ATOM 283 CD GLU A 18 -2.569 11.504 0.206 1.00 0.00 C ATOM 284 OE1 GLU A 18 -3.305 11.485 1.211 1.00 0.00 O ATOM 285 OE2 GLU A 18 -2.267 12.560 -0.387 1.00 0.00 O ATOM 0 H GLU A 18 -4.555 7.329 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.189 8.375 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.836 9.758 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.630 8.879 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.396 9.736 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.369 10.403 -1.174 1.00 0.00 H new ATOM 292 N GLN A 19 -1.848 6.604 0.299 1.00 0.00 N ATOM 293 CA GLN A 19 -0.905 5.816 1.084 1.00 0.00 C ATOM 294 C GLN A 19 -0.162 4.825 0.189 1.00 0.00 C ATOM 295 O GLN A 19 1.041 4.639 0.331 1.00 0.00 O ATOM 296 CB GLN A 19 -1.644 5.067 2.198 1.00 0.00 C ATOM 297 CG GLN A 19 -0.732 4.274 3.120 1.00 0.00 C ATOM 298 CD GLN A 19 -1.502 3.447 4.136 1.00 0.00 C ATOM 299 OE1 GLN A 19 -2.620 2.999 3.877 1.00 0.00 O ATOM 300 NE2 GLN A 19 -0.917 3.246 5.301 1.00 0.00 N ATOM 0 H GLN A 19 -2.812 6.549 0.627 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.177 6.492 1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.209 5.785 2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.367 4.388 1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.103 3.614 2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.067 4.960 3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.010 3.633 5.480 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.391 2.704 6.023 1.00 0.00 H new ATOM 309 N ASN A 20 -0.891 4.218 -0.743 1.00 0.00 N ATOM 310 CA ASN A 20 -0.320 3.248 -1.681 1.00 0.00 C ATOM 311 C ASN A 20 0.850 3.841 -2.453 1.00 0.00 C ATOM 312 O ASN A 20 1.966 3.323 -2.407 1.00 0.00 O ATOM 313 CB ASN A 20 -1.377 2.763 -2.680 1.00 0.00 C ATOM 314 CG ASN A 20 -2.252 1.641 -2.155 1.00 0.00 C ATOM 315 OD1 ASN A 20 -2.522 1.633 -0.862 1.00 0.00 O flip ATOM 316 ND2 ASN A 20 -2.695 0.785 -2.922 1.00 0.00 N flip ATOM 0 H ASN A 20 -1.890 4.381 -0.872 1.00 0.00 H new ATOM 0 HA ASN A 20 0.035 2.406 -1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.011 3.604 -2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.877 2.426 -3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.466 0.822 -3.915 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.291 0.039 -2.564 1.00 0.00 H new ATOM 323 N TYR A 21 0.592 4.932 -3.167 1.00 0.00 N ATOM 324 CA TYR A 21 1.623 5.564 -3.982 1.00 0.00 C ATOM 325 C TYR A 21 2.694 6.207 -3.106 1.00 0.00 C ATOM 326 O TYR A 21 3.880 6.192 -3.447 1.00 0.00 O ATOM 327 CB TYR A 21 1.009 6.601 -4.926 1.00 0.00 C ATOM 328 CG TYR A 21 0.071 6.002 -5.957 1.00 0.00 C ATOM 329 CD1 TYR A 21 0.567 5.340 -7.075 1.00 0.00 C ATOM 330 CD2 TYR A 21 -1.306 6.095 -5.809 1.00 0.00 C ATOM 331 CE1 TYR A 21 -0.288 4.791 -8.015 1.00 0.00 C ATOM 332 CE2 TYR A 21 -2.165 5.549 -6.744 1.00 0.00 C ATOM 333 CZ TYR A 21 -1.652 4.898 -7.846 1.00 0.00 C ATOM 334 OH TYR A 21 -2.509 4.350 -8.777 1.00 0.00 O ATOM 0 H TYR A 21 -0.317 5.395 -3.198 1.00 0.00 H new ATOM 0 HA TYR A 21 2.096 4.788 -4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.465 7.339 -4.337 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.810 7.131 -5.440 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.635 5.253 -7.212 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.714 6.603 -4.948 1.00 0.00 H new ATOM 0 HE1 TYR A 21 0.112 4.280 -8.878 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.234 5.632 -6.612 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.436 4.515 -8.505 1.00 0.00 H new ATOM 344 N HIS A 22 2.279 6.752 -1.967 1.00 0.00 N ATOM 345 CA HIS A 22 3.215 7.380 -1.043 1.00 0.00 C ATOM 346 C HIS A 22 4.183 6.350 -0.482 1.00 0.00 C ATOM 347 O HIS A 22 5.391 6.552 -0.518 1.00 0.00 O ATOM 348 CB HIS A 22 2.481 8.080 0.105 1.00 0.00 C ATOM 349 CG HIS A 22 3.404 8.817 1.029 1.00 0.00 C ATOM 350 ND1 HIS A 22 3.787 10.119 0.817 1.00 0.00 N ATOM 351 CD2 HIS A 22 4.045 8.419 2.155 1.00 0.00 C ATOM 352 CE1 HIS A 22 4.624 10.490 1.764 1.00 0.00 C ATOM 353 NE2 HIS A 22 4.805 9.478 2.591 1.00 0.00 N ATOM 0 H HIS A 22 1.305 6.771 -1.663 1.00 0.00 H new ATOM 0 HA HIS A 22 3.774 8.131 -1.601 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.755 8.780 -0.309 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.920 7.339 0.675 1.00 0.00 H new ATOM 0 HD2 HIS A 22 3.972 7.449 2.623 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.086 11.462 1.849 1.00 0.00 H new ATOM 0 HE2 HIS A 22 5.407 9.481 3.414 1.00 0.00 H new ATOM 362 N LEU A 23 3.642 5.253 0.031 1.00 0.00 N ATOM 363 CA LEU A 23 4.454 4.197 0.624 1.00 0.00 C ATOM 364 C LEU A 23 5.399 3.622 -0.423 1.00 0.00 C ATOM 365 O LEU A 23 6.563 3.352 -0.134 1.00 0.00 O ATOM 366 CB LEU A 23 3.540 3.107 1.207 1.00 0.00 C ATOM 367 CG LEU A 23 4.224 2.027 2.058 1.00 0.00 C ATOM 368 CD1 LEU A 23 3.218 1.394 3.004 1.00 0.00 C ATOM 369 CD2 LEU A 23 4.846 0.949 1.182 1.00 0.00 C ATOM 0 H LEU A 23 2.639 5.070 0.049 1.00 0.00 H new ATOM 0 HA LEU A 23 5.056 4.608 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.777 3.591 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.024 2.616 0.382 1.00 0.00 H new ATOM 0 HG LEU A 23 5.017 2.505 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.713 0.630 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.805 2.159 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.413 0.938 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.323 0.198 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.070 0.477 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.591 1.399 0.526 1.00 0.00 H new ATOM 381 N GLU A 24 4.890 3.466 -1.639 1.00 0.00 N ATOM 382 CA GLU A 24 5.677 2.946 -2.751 1.00 0.00 C ATOM 383 C GLU A 24 6.948 3.778 -2.947 1.00 0.00 C ATOM 384 O GLU A 24 8.060 3.245 -2.961 1.00 0.00 O ATOM 385 CB GLU A 24 4.833 2.962 -4.026 1.00 0.00 C ATOM 386 CG GLU A 24 5.435 2.169 -5.170 1.00 0.00 C ATOM 387 CD GLU A 24 4.695 2.373 -6.471 1.00 0.00 C ATOM 388 OE1 GLU A 24 3.564 1.860 -6.608 1.00 0.00 O ATOM 389 OE2 GLU A 24 5.240 3.053 -7.366 1.00 0.00 O ATOM 0 H GLU A 24 3.926 3.695 -1.882 1.00 0.00 H new ATOM 0 HA GLU A 24 5.972 1.921 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.844 2.563 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.695 3.995 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.477 2.460 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.429 1.109 -4.915 1.00 0.00 H new ATOM 396 N ASN A 25 6.774 5.090 -3.075 1.00 0.00 N ATOM 397 CA ASN A 25 7.903 5.999 -3.267 1.00 0.00 C ATOM 398 C ASN A 25 8.714 6.145 -1.985 1.00 0.00 C ATOM 399 O ASN A 25 9.932 6.335 -2.027 1.00 0.00 O ATOM 400 CB ASN A 25 7.429 7.378 -3.744 1.00 0.00 C ATOM 401 CG ASN A 25 6.966 7.371 -5.190 1.00 0.00 C ATOM 402 OD1 ASN A 25 7.765 7.570 -6.105 1.00 0.00 O ATOM 403 ND2 ASN A 25 5.676 7.151 -5.409 1.00 0.00 N ATOM 0 H ASN A 25 5.863 5.549 -3.049 1.00 0.00 H new ATOM 0 HA ASN A 25 8.542 5.565 -4.037 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.612 7.717 -3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.241 8.096 -3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.315 7.143 -6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.046 6.990 -4.623 1.00 0.00 H new ATOM 410 N GLU A 26 8.036 6.048 -0.849 1.00 0.00 N ATOM 411 CA GLU A 26 8.687 6.160 0.449 1.00 0.00 C ATOM 412 C GLU A 26 9.702 5.036 0.629 1.00 0.00 C ATOM 413 O GLU A 26 10.869 5.281 0.939 1.00 0.00 O ATOM 414 CB GLU A 26 7.648 6.107 1.572 1.00 0.00 C ATOM 415 CG GLU A 26 8.164 6.592 2.916 1.00 0.00 C ATOM 416 CD GLU A 26 8.360 8.094 2.953 1.00 0.00 C ATOM 417 OE1 GLU A 26 9.459 8.568 2.592 1.00 0.00 O ATOM 418 OE2 GLU A 26 7.411 8.809 3.342 1.00 0.00 O ATOM 0 H GLU A 26 7.029 5.891 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 26 9.206 7.117 0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.787 6.711 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.296 5.081 1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.462 6.301 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.111 6.099 3.138 1.00 0.00 H new ATOM 425 N VAL A 27 9.252 3.802 0.411 1.00 0.00 N ATOM 426 CA VAL A 27 10.113 2.638 0.562 1.00 0.00 C ATOM 427 C VAL A 27 11.134 2.570 -0.573 1.00 0.00 C ATOM 428 O VAL A 27 12.228 2.036 -0.396 1.00 0.00 O ATOM 429 CB VAL A 27 9.302 1.320 0.633 1.00 0.00 C ATOM 430 CG1 VAL A 27 8.621 1.006 -0.692 1.00 0.00 C ATOM 431 CG2 VAL A 27 10.191 0.163 1.073 1.00 0.00 C ATOM 0 H VAL A 27 8.296 3.586 0.129 1.00 0.00 H new ATOM 0 HA VAL A 27 10.641 2.751 1.509 1.00 0.00 H new ATOM 0 HB VAL A 27 8.518 1.456 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.062 0.074 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.938 1.815 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.374 0.903 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.601 -0.753 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.005 0.037 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.604 0.376 2.059 1.00 0.00 H new ATOM 441 N ALA A 28 10.784 3.127 -1.731 1.00 0.00 N ATOM 442 CA ALA A 28 11.713 3.195 -2.854 1.00 0.00 C ATOM 443 C ALA A 28 12.941 4.014 -2.474 1.00 0.00 C ATOM 444 O ALA A 28 14.076 3.570 -2.653 1.00 0.00 O ATOM 445 CB ALA A 28 11.035 3.794 -4.076 1.00 0.00 C ATOM 0 H ALA A 28 9.868 3.536 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 28 12.030 2.182 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.745 3.836 -4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.184 3.175 -4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.689 4.801 -3.843 1.00 0.00 H new ATOM 451 N ARG A 29 12.701 5.206 -1.939 1.00 0.00 N ATOM 452 CA ARG A 29 13.774 6.070 -1.463 1.00 0.00 C ATOM 453 C ARG A 29 14.476 5.433 -0.267 1.00 0.00 C ATOM 454 O ARG A 29 15.689 5.562 -0.095 1.00 0.00 O ATOM 455 CB ARG A 29 13.206 7.444 -1.094 1.00 0.00 C ATOM 456 CG ARG A 29 14.200 8.368 -0.412 1.00 0.00 C ATOM 457 CD ARG A 29 13.614 9.755 -0.223 1.00 0.00 C ATOM 458 NE ARG A 29 12.311 9.719 0.442 1.00 0.00 N ATOM 459 CZ ARG A 29 11.284 10.504 0.112 1.00 0.00 C ATOM 460 NH1 ARG A 29 11.405 11.375 -0.889 1.00 0.00 N ATOM 461 NH2 ARG A 29 10.132 10.412 0.771 1.00 0.00 N ATOM 0 H ARG A 29 11.766 5.598 -1.824 1.00 0.00 H new ATOM 0 HA ARG A 29 14.510 6.199 -2.257 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.840 7.928 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.347 7.305 -0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.482 7.954 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 29 15.110 8.432 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.303 10.362 0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.511 10.239 -1.194 1.00 0.00 H new ATOM 0 HE ARG A 29 12.180 9.054 1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.283 11.442 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.619 11.975 -1.141 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.032 9.740 1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.349 11.014 0.516 1.00 0.00 H new ATOM 475 N LEU A 30 13.697 4.726 0.541 1.00 0.00 N ATOM 476 CA LEU A 30 14.214 4.027 1.712 1.00 0.00 C ATOM 477 C LEU A 30 15.271 3.002 1.298 1.00 0.00 C ATOM 478 O LEU A 30 16.423 3.074 1.730 1.00 0.00 O ATOM 479 CB LEU A 30 13.052 3.333 2.437 1.00 0.00 C ATOM 480 CG LEU A 30 13.260 3.010 3.922 1.00 0.00 C ATOM 481 CD1 LEU A 30 11.975 2.459 4.509 1.00 0.00 C ATOM 482 CD2 LEU A 30 14.394 2.015 4.125 1.00 0.00 C ATOM 0 H LEU A 30 12.692 4.620 0.405 1.00 0.00 H new ATOM 0 HA LEU A 30 14.684 4.745 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.169 3.965 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.832 2.402 1.914 1.00 0.00 H new ATOM 0 HG LEU A 30 13.532 3.933 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.126 2.230 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.182 3.200 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.693 1.550 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.512 1.810 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.163 1.088 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.320 2.434 3.731 1.00 0.00 H new ATOM 494 N LYS A 31 14.878 2.059 0.450 1.00 0.00 N ATOM 495 CA LYS A 31 15.778 0.990 0.032 1.00 0.00 C ATOM 496 C LYS A 31 16.865 1.513 -0.900 1.00 0.00 C ATOM 497 O LYS A 31 17.899 0.874 -1.076 1.00 0.00 O ATOM 498 CB LYS A 31 15.002 -0.156 -0.625 1.00 0.00 C ATOM 499 CG LYS A 31 14.209 0.239 -1.862 1.00 0.00 C ATOM 500 CD LYS A 31 13.428 -0.945 -2.410 1.00 0.00 C ATOM 501 CE LYS A 31 12.582 -0.570 -3.618 1.00 0.00 C ATOM 502 NZ LYS A 31 11.859 -1.750 -4.166 1.00 0.00 N ATOM 0 H LYS A 31 13.946 2.012 0.039 1.00 0.00 H new ATOM 0 HA LYS A 31 16.265 0.601 0.926 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.705 -0.943 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.317 -0.580 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.523 1.049 -1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.887 0.618 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 31 14.122 -1.738 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.783 -1.345 -1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.863 0.199 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.220 -0.142 -4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.292 -1.459 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.547 -2.474 -4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.232 -2.143 -3.435 1.00 0.00 H new ATOM 516 N LYS A 32 16.629 2.673 -1.498 1.00 0.00 N ATOM 517 CA LYS A 32 17.641 3.315 -2.318 1.00 0.00 C ATOM 518 C LYS A 32 18.755 3.855 -1.422 1.00 0.00 C ATOM 519 O LYS A 32 19.935 3.728 -1.731 1.00 0.00 O ATOM 520 CB LYS A 32 17.024 4.458 -3.127 1.00 0.00 C ATOM 521 CG LYS A 32 17.692 4.696 -4.469 1.00 0.00 C ATOM 522 CD LYS A 32 17.574 3.469 -5.358 1.00 0.00 C ATOM 523 CE LYS A 32 18.058 3.742 -6.770 1.00 0.00 C ATOM 524 NZ LYS A 32 17.954 2.531 -7.623 1.00 0.00 N ATOM 0 H LYS A 32 15.749 3.185 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 32 18.054 2.582 -3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.968 4.244 -3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.076 5.375 -2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.232 5.553 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.743 4.941 -4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 32 18.153 2.652 -4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.535 3.141 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 32 17.470 4.549 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.094 4.081 -6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 18.293 2.751 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.535 1.770 -7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.962 2.223 -7.669 1.00 0.00 H new ATOM 538 N LEU A 33 18.348 4.435 -0.298 1.00 0.00 N ATOM 539 CA LEU A 33 19.275 5.024 0.662 1.00 0.00 C ATOM 540 C LEU A 33 20.137 3.958 1.339 1.00 0.00 C ATOM 541 O LEU A 33 21.364 4.066 1.366 1.00 0.00 O ATOM 542 CB LEU A 33 18.481 5.807 1.715 1.00 0.00 C ATOM 543 CG LEU A 33 19.300 6.433 2.850 1.00 0.00 C ATOM 544 CD1 LEU A 33 20.259 7.479 2.310 1.00 0.00 C ATOM 545 CD2 LEU A 33 18.377 7.044 3.894 1.00 0.00 C ATOM 0 H LEU A 33 17.368 4.510 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 33 19.945 5.696 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.932 6.601 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.741 5.138 2.154 1.00 0.00 H new ATOM 0 HG LEU A 33 19.887 5.646 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 33 20.829 7.909 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.942 7.014 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.695 8.266 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 33 18.973 7.484 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.764 7.817 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.732 6.269 4.307 1.00 0.00 H new ATOM 557 N VAL A 34 19.491 2.935 1.890 1.00 0.00 N ATOM 558 CA VAL A 34 20.200 1.906 2.647 1.00 0.00 C ATOM 559 C VAL A 34 20.812 0.848 1.724 1.00 0.00 C ATOM 560 O VAL A 34 21.823 0.229 2.060 1.00 0.00 O ATOM 561 CB VAL A 34 19.265 1.227 3.681 1.00 0.00 C ATOM 562 CG1 VAL A 34 18.131 0.479 2.992 1.00 0.00 C ATOM 563 CG2 VAL A 34 20.050 0.295 4.594 1.00 0.00 C ATOM 0 H VAL A 34 18.482 2.796 1.828 1.00 0.00 H new ATOM 0 HA VAL A 34 21.009 2.405 3.180 1.00 0.00 H new ATOM 0 HB VAL A 34 18.823 2.012 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.493 0.014 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.542 1.178 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.546 -0.291 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 34 19.372 -0.169 5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 34 20.532 -0.479 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 34 20.809 0.865 5.130 1.00 0.00 H new ATOM 573 N GLY A 35 20.209 0.662 0.555 1.00 0.00 N ATOM 574 CA GLY A 35 20.664 -0.365 -0.363 1.00 0.00 C ATOM 575 C GLY A 35 21.981 -0.016 -1.022 1.00 0.00 C ATOM 576 O GLY A 35 22.978 -0.715 -0.837 1.00 0.00 O ATOM 0 H GLY A 35 19.411 1.206 0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.770 -1.307 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.907 -0.521 -1.132 1.00 0.00 H new ATOM 580 N GLU A 36 21.993 1.072 -1.777 1.00 0.00 N ATOM 581 CA GLU A 36 23.187 1.483 -2.498 1.00 0.00 C ATOM 582 C GLU A 36 23.270 3.005 -2.542 1.00 0.00 C ATOM 583 O GLU A 36 22.429 3.663 -3.155 1.00 0.00 O ATOM 584 CB GLU A 36 23.168 0.905 -3.917 1.00 0.00 C ATOM 585 CG GLU A 36 24.474 1.087 -4.668 1.00 0.00 C ATOM 586 CD GLU A 36 25.644 0.461 -3.945 1.00 0.00 C ATOM 587 OE1 GLU A 36 25.778 -0.780 -3.984 1.00 0.00 O ATOM 588 OE2 GLU A 36 26.437 1.208 -3.338 1.00 0.00 O ATOM 0 H GLU A 36 21.189 1.686 -1.906 1.00 0.00 H new ATOM 0 HA GLU A 36 24.067 1.101 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 36 22.935 -0.159 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 36 22.365 1.379 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 36 24.384 0.645 -5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 36 24.664 2.151 -4.809 1.00 0.00 H new ATOM 595 N ARG A 37 24.279 3.561 -1.893 1.00 0.00 N ATOM 596 CA ARG A 37 24.398 5.004 -1.785 1.00 0.00 C ATOM 597 C ARG A 37 25.414 5.530 -2.787 1.00 0.00 C ATOM 598 O ARG A 37 26.587 5.112 -2.710 1.00 0.00 O ATOM 599 CB ARG A 37 24.800 5.404 -0.367 1.00 0.00 C ATOM 600 CG ARG A 37 24.382 6.819 -0.012 1.00 0.00 C ATOM 601 CD ARG A 37 22.872 6.956 -0.091 1.00 0.00 C ATOM 602 NE ARG A 37 22.430 8.348 -0.050 1.00 0.00 N ATOM 603 CZ ARG A 37 21.973 9.001 -1.113 1.00 0.00 C ATOM 604 NH1 ARG A 37 22.014 8.425 -2.307 1.00 0.00 N ATOM 605 NH2 ARG A 37 21.488 10.226 -0.984 1.00 0.00 N ATOM 606 OXT ARG A 37 25.042 6.362 -3.638 1.00 0.00 O ATOM 0 H ARG A 37 25.025 3.037 -1.435 1.00 0.00 H new ATOM 0 HA ARG A 37 23.427 5.445 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 37 24.351 4.709 0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 37 25.881 5.313 -0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 37 24.725 7.066 0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 37 24.855 7.527 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 37 22.517 6.493 -1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 37 22.418 6.410 0.736 1.00 0.00 H new ATOM 0 HE ARG A 37 22.475 8.844 0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 37 22.395 7.484 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.664 8.923 -3.126 1.00 0.00 H new ATOM 0 HH21 ARG A 37 21.464 10.671 -0.067 1.00 0.00 H new ATOM 0 HH22 ARG A 37 21.138 10.725 -1.802 1.00 0.00 H new TER 620 ARG A 37 ATOM 621 N GLY B 0 -30.396 -3.533 -4.599 1.00 0.00 N ATOM 622 CA GLY B 0 -28.977 -3.211 -4.324 1.00 0.00 C ATOM 623 C GLY B 0 -28.411 -4.061 -3.207 1.00 0.00 C ATOM 624 O GLY B 0 -29.162 -4.766 -2.527 1.00 0.00 O ATOM 0 H1 GLY B 0 -30.490 -3.885 -5.573 1.00 0.00 H new ATOM 0 H2 GLY B 0 -30.721 -4.264 -3.934 1.00 0.00 H new ATOM 0 H3 GLY B 0 -30.975 -2.677 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY B 0 -28.389 -3.362 -5.229 1.00 0.00 H new ATOM 0 HA3 GLY B 0 -28.889 -2.157 -4.059 1.00 0.00 H new ATOM 627 N ALA B 1 -27.085 -4.005 -3.033 1.00 0.00 N ATOM 628 CA ALA B 1 -26.393 -4.739 -1.971 1.00 0.00 C ATOM 629 C ALA B 1 -26.507 -6.246 -2.182 1.00 0.00 C ATOM 630 O ALA B 1 -26.551 -7.020 -1.225 1.00 0.00 O ATOM 631 CB ALA B 1 -26.931 -4.340 -0.602 1.00 0.00 C ATOM 0 H ALA B 1 -26.465 -3.451 -3.623 1.00 0.00 H new ATOM 0 HA ALA B 1 -25.336 -4.475 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA B 1 -26.404 -4.897 0.173 1.00 0.00 H new ATOM 0 HB2 ALA B 1 -26.779 -3.272 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA B 1 -27.996 -4.566 -0.550 1.00 0.00 H new ATOM 637 N GLY B 2 -26.540 -6.656 -3.444 1.00 0.00 N ATOM 638 CA GLY B 2 -26.612 -8.067 -3.759 1.00 0.00 C ATOM 639 C GLY B 2 -25.247 -8.725 -3.734 1.00 0.00 C ATOM 640 O GLY B 2 -24.251 -8.096 -3.365 1.00 0.00 O ATOM 0 H GLY B 2 -26.518 -6.036 -4.253 1.00 0.00 H new ATOM 0 HA2 GLY B 2 -27.268 -8.565 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY B 2 -27.059 -8.196 -4.745 1.00 0.00 H new ATOM 644 N SER B 3 -25.194 -9.980 -4.154 1.00 0.00 N ATOM 645 CA SER B 3 -23.947 -10.734 -4.175 1.00 0.00 C ATOM 646 C SER B 3 -22.954 -10.123 -5.163 1.00 0.00 C ATOM 647 O SER B 3 -21.741 -10.320 -5.047 1.00 0.00 O ATOM 648 CB SER B 3 -24.239 -12.194 -4.528 1.00 0.00 C ATOM 649 OG SER B 3 -25.152 -12.285 -5.610 1.00 0.00 O ATOM 0 H SER B 3 -26.005 -10.501 -4.487 1.00 0.00 H new ATOM 0 HA SER B 3 -23.492 -10.692 -3.185 1.00 0.00 H new ATOM 0 HB2 SER B 3 -23.310 -12.701 -4.788 1.00 0.00 H new ATOM 0 HB3 SER B 3 -24.649 -12.707 -3.658 1.00 0.00 H new ATOM 0 HG SER B 3 -25.321 -13.228 -5.817 1.00 0.00 H new ATOM 655 N SER B 4 -23.483 -9.368 -6.121 1.00 0.00 N ATOM 656 CA SER B 4 -22.684 -8.681 -7.103 1.00 0.00 C ATOM 657 C SER B 4 -21.856 -7.609 -6.430 1.00 0.00 C ATOM 658 O SER B 4 -20.742 -7.352 -6.828 1.00 0.00 O ATOM 659 CB SER B 4 -23.594 -8.054 -8.163 1.00 0.00 C ATOM 660 OG SER B 4 -24.514 -9.008 -8.667 1.00 0.00 O ATOM 0 H SER B 4 -24.487 -9.221 -6.230 1.00 0.00 H new ATOM 0 HA SER B 4 -22.015 -9.394 -7.586 1.00 0.00 H new ATOM 0 HB2 SER B 4 -24.136 -7.213 -7.731 1.00 0.00 H new ATOM 0 HB3 SER B 4 -22.990 -7.659 -8.979 1.00 0.00 H new ATOM 0 HG SER B 4 -25.086 -8.586 -9.341 1.00 0.00 H new ATOM 666 N SER B 5 -22.406 -7.013 -5.383 1.00 0.00 N ATOM 667 CA SER B 5 -21.757 -5.928 -4.696 1.00 0.00 C ATOM 668 C SER B 5 -20.788 -6.471 -3.661 1.00 0.00 C ATOM 669 O SER B 5 -19.632 -6.096 -3.653 1.00 0.00 O ATOM 670 CB SER B 5 -22.805 -5.036 -4.027 1.00 0.00 C ATOM 671 OG SER B 5 -23.836 -4.686 -4.942 1.00 0.00 O ATOM 0 H SER B 5 -23.312 -7.273 -4.994 1.00 0.00 H new ATOM 0 HA SER B 5 -21.197 -5.333 -5.418 1.00 0.00 H new ATOM 0 HB2 SER B 5 -23.235 -5.554 -3.170 1.00 0.00 H new ATOM 0 HB3 SER B 5 -22.329 -4.132 -3.647 1.00 0.00 H new ATOM 0 HG SER B 5 -24.495 -4.117 -4.491 1.00 0.00 H new ATOM 677 N LEU B 6 -21.275 -7.400 -2.841 1.00 0.00 N ATOM 678 CA LEU B 6 -20.547 -7.901 -1.682 1.00 0.00 C ATOM 679 C LEU B 6 -19.139 -8.370 -2.029 1.00 0.00 C ATOM 680 O LEU B 6 -18.178 -7.666 -1.752 1.00 0.00 O ATOM 681 CB LEU B 6 -21.326 -9.043 -1.025 1.00 0.00 C ATOM 682 CG LEU B 6 -22.702 -8.659 -0.468 1.00 0.00 C ATOM 683 CD1 LEU B 6 -23.398 -9.875 0.117 1.00 0.00 C ATOM 684 CD2 LEU B 6 -22.567 -7.564 0.582 1.00 0.00 C ATOM 0 H LEU B 6 -22.193 -7.828 -2.965 1.00 0.00 H new ATOM 0 HA LEU B 6 -20.448 -7.068 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -21.458 -9.840 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -20.724 -9.452 -0.213 1.00 0.00 H new ATOM 0 HG LEU B 6 -23.310 -8.276 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -24.373 -9.583 0.507 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -23.529 -10.628 -0.660 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -22.793 -10.288 0.924 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -23.554 -7.304 0.966 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -21.941 -7.920 1.400 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -22.109 -6.683 0.132 1.00 0.00 H new ATOM 696 N GLU B 7 -19.033 -9.534 -2.665 1.00 0.00 N ATOM 697 CA GLU B 7 -17.754 -10.186 -2.862 1.00 0.00 C ATOM 698 C GLU B 7 -16.829 -9.333 -3.711 1.00 0.00 C ATOM 699 O GLU B 7 -15.690 -9.136 -3.339 1.00 0.00 O ATOM 700 CB GLU B 7 -17.939 -11.568 -3.496 1.00 0.00 C ATOM 701 CG GLU B 7 -16.632 -12.326 -3.700 1.00 0.00 C ATOM 702 CD GLU B 7 -16.846 -13.754 -4.156 1.00 0.00 C ATOM 703 OE1 GLU B 7 -17.454 -13.954 -5.225 1.00 0.00 O ATOM 704 OE2 GLU B 7 -16.411 -14.683 -3.444 1.00 0.00 O ATOM 0 H GLU B 7 -19.827 -10.043 -3.053 1.00 0.00 H new ATOM 0 HA GLU B 7 -17.293 -10.314 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -18.599 -12.163 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -18.437 -11.453 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -16.024 -11.801 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -16.069 -12.328 -2.767 1.00 0.00 H new ATOM 711 N ALA B 8 -17.345 -8.812 -4.823 1.00 0.00 N ATOM 712 CA ALA B 8 -16.563 -8.016 -5.754 1.00 0.00 C ATOM 713 C ALA B 8 -15.756 -6.946 -5.035 1.00 0.00 C ATOM 714 O ALA B 8 -14.545 -6.902 -5.172 1.00 0.00 O ATOM 715 CB ALA B 8 -17.470 -7.379 -6.791 1.00 0.00 C ATOM 0 H ALA B 8 -18.319 -8.933 -5.100 1.00 0.00 H new ATOM 0 HA ALA B 8 -15.861 -8.684 -6.253 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -16.872 -6.785 -7.482 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -17.995 -8.158 -7.343 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -18.195 -6.735 -6.294 1.00 0.00 H new ATOM 721 N VAL B 9 -16.430 -6.114 -4.248 1.00 0.00 N ATOM 722 CA VAL B 9 -15.779 -5.017 -3.568 1.00 0.00 C ATOM 723 C VAL B 9 -14.948 -5.536 -2.411 1.00 0.00 C ATOM 724 O VAL B 9 -13.791 -5.173 -2.278 1.00 0.00 O ATOM 725 CB VAL B 9 -16.804 -3.980 -3.051 1.00 0.00 C ATOM 726 CG1 VAL B 9 -16.100 -2.815 -2.368 1.00 0.00 C ATOM 727 CG2 VAL B 9 -17.682 -3.482 -4.191 1.00 0.00 C ATOM 0 H VAL B 9 -17.432 -6.185 -4.069 1.00 0.00 H new ATOM 0 HA VAL B 9 -15.129 -4.521 -4.289 1.00 0.00 H new ATOM 0 HB VAL B 9 -17.441 -4.470 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -16.842 -2.099 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -15.520 -3.185 -1.523 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -15.434 -2.325 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -18.397 -2.753 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -17.059 -3.013 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -18.220 -4.322 -4.630 1.00 0.00 H new ATOM 737 N ARG B 10 -15.534 -6.430 -1.618 1.00 0.00 N ATOM 738 CA ARG B 10 -14.911 -6.925 -0.407 1.00 0.00 C ATOM 739 C ARG B 10 -13.565 -7.558 -0.714 1.00 0.00 C ATOM 740 O ARG B 10 -12.591 -7.235 -0.066 1.00 0.00 O ATOM 741 CB ARG B 10 -15.844 -7.917 0.308 1.00 0.00 C ATOM 742 CG ARG B 10 -15.349 -8.373 1.677 1.00 0.00 C ATOM 743 CD ARG B 10 -14.380 -9.539 1.567 1.00 0.00 C ATOM 744 NE ARG B 10 -13.725 -9.837 2.838 1.00 0.00 N ATOM 745 CZ ARG B 10 -13.258 -11.045 3.160 1.00 0.00 C ATOM 746 NH1 ARG B 10 -13.516 -12.082 2.373 1.00 0.00 N ATOM 747 NH2 ARG B 10 -12.573 -11.223 4.286 1.00 0.00 N ATOM 0 H ARG B 10 -16.455 -6.828 -1.803 1.00 0.00 H new ATOM 0 HA ARG B 10 -14.735 -6.083 0.263 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -16.824 -7.455 0.425 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -15.978 -8.793 -0.327 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -14.860 -7.540 2.183 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -16.200 -8.664 2.293 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -14.916 -10.423 1.221 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -13.624 -9.311 0.816 1.00 0.00 H new ATOM 0 HE ARG B 10 -13.619 -9.082 3.515 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -14.069 -11.954 1.526 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -13.161 -13.007 2.615 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -12.402 -10.434 4.909 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -12.219 -12.149 4.526 1.00 0.00 H new ATOM 761 N ARG B 11 -13.515 -8.426 -1.724 1.00 0.00 N ATOM 762 CA ARG B 11 -12.288 -9.109 -2.094 1.00 0.00 C ATOM 763 C ARG B 11 -11.175 -8.105 -2.331 1.00 0.00 C ATOM 764 O ARG B 11 -10.095 -8.253 -1.784 1.00 0.00 O ATOM 765 CB ARG B 11 -12.509 -9.969 -3.345 1.00 0.00 C ATOM 766 CG ARG B 11 -11.223 -10.477 -3.989 1.00 0.00 C ATOM 767 CD ARG B 11 -10.429 -11.389 -3.061 1.00 0.00 C ATOM 768 NE ARG B 11 -9.064 -11.591 -3.550 1.00 0.00 N ATOM 769 CZ ARG B 11 -8.199 -12.469 -3.039 1.00 0.00 C ATOM 770 NH1 ARG B 11 -8.554 -13.253 -2.031 1.00 0.00 N ATOM 771 NH2 ARG B 11 -6.970 -12.550 -3.538 1.00 0.00 N ATOM 0 H ARG B 11 -14.320 -8.670 -2.301 1.00 0.00 H new ATOM 0 HA ARG B 11 -11.995 -9.763 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -13.131 -10.824 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -13.064 -9.386 -4.080 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -11.467 -11.017 -4.904 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -10.604 -9.627 -4.276 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -10.399 -10.956 -2.061 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -10.933 -12.352 -2.976 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.752 -11.021 -4.336 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -9.494 -13.188 -1.641 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -7.887 -13.922 -1.646 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -6.691 -11.942 -4.308 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -6.305 -13.220 -3.151 1.00 0.00 H new ATOM 785 N LYS B 12 -11.467 -7.066 -3.102 1.00 0.00 N ATOM 786 CA LYS B 12 -10.471 -6.082 -3.468 1.00 0.00 C ATOM 787 C LYS B 12 -9.952 -5.360 -2.239 1.00 0.00 C ATOM 788 O LYS B 12 -8.765 -5.401 -1.967 1.00 0.00 O ATOM 789 CB LYS B 12 -11.039 -5.076 -4.471 1.00 0.00 C ATOM 790 CG LYS B 12 -11.489 -5.706 -5.779 1.00 0.00 C ATOM 791 CD LYS B 12 -11.884 -4.650 -6.798 1.00 0.00 C ATOM 792 CE LYS B 12 -10.689 -3.802 -7.207 1.00 0.00 C ATOM 793 NZ LYS B 12 -11.069 -2.729 -8.157 1.00 0.00 N ATOM 0 H LYS B 12 -12.395 -6.887 -3.486 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.640 -6.607 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -11.885 -4.561 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -10.282 -4.321 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -10.685 -6.321 -6.184 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -12.334 -6.368 -5.593 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -12.309 -5.132 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -12.661 -4.010 -6.379 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -10.239 -3.358 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -9.932 -4.439 -7.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -10.226 -2.175 -8.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -11.475 -3.153 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -11.773 -2.105 -7.713 1.00 0.00 H new ATOM 807 N ILE B 13 -10.852 -4.747 -1.474 1.00 0.00 N ATOM 808 CA ILE B 13 -10.462 -3.937 -0.343 1.00 0.00 C ATOM 809 C ILE B 13 -9.788 -4.788 0.717 1.00 0.00 C ATOM 810 O ILE B 13 -8.957 -4.297 1.449 1.00 0.00 O ATOM 811 CB ILE B 13 -11.655 -3.146 0.255 1.00 0.00 C ATOM 812 CG1 ILE B 13 -12.823 -4.063 0.652 1.00 0.00 C ATOM 813 CG2 ILE B 13 -12.132 -2.094 -0.734 1.00 0.00 C ATOM 814 CD1 ILE B 13 -12.739 -4.601 2.067 1.00 0.00 C ATOM 0 H ILE B 13 -11.859 -4.802 -1.625 1.00 0.00 H new ATOM 0 HA ILE B 13 -9.745 -3.200 -0.706 1.00 0.00 H new ATOM 0 HB ILE B 13 -11.299 -2.661 1.164 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -13.757 -3.512 0.540 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -12.863 -4.903 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -12.970 -1.544 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -11.318 -1.403 -0.951 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -12.451 -2.580 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -13.601 -5.238 2.266 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -11.824 -5.182 2.182 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -12.732 -3.770 2.772 1.00 0.00 H new ATOM 826 N ARG B 14 -10.133 -6.069 0.767 1.00 0.00 N ATOM 827 CA ARG B 14 -9.507 -7.001 1.680 1.00 0.00 C ATOM 828 C ARG B 14 -8.037 -7.110 1.325 1.00 0.00 C ATOM 829 O ARG B 14 -7.178 -6.867 2.159 1.00 0.00 O ATOM 830 CB ARG B 14 -10.197 -8.375 1.580 1.00 0.00 C ATOM 831 CG ARG B 14 -9.937 -9.328 2.749 1.00 0.00 C ATOM 832 CD ARG B 14 -8.488 -9.796 2.823 1.00 0.00 C ATOM 833 NE ARG B 14 -7.996 -10.307 1.539 1.00 0.00 N ATOM 834 CZ ARG B 14 -7.485 -11.526 1.364 1.00 0.00 C ATOM 835 NH1 ARG B 14 -7.499 -12.409 2.354 1.00 0.00 N ATOM 836 NH2 ARG B 14 -6.988 -11.871 0.185 1.00 0.00 N ATOM 0 H ARG B 14 -10.853 -6.484 0.175 1.00 0.00 H new ATOM 0 HA ARG B 14 -9.605 -6.648 2.707 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -11.272 -8.217 1.495 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -9.872 -8.860 0.659 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -10.201 -8.830 3.682 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -10.589 -10.196 2.655 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -7.858 -8.967 3.146 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -8.400 -10.577 3.579 1.00 0.00 H new ATOM 0 HE ARG B 14 -8.048 -9.690 0.728 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -7.903 -12.157 3.256 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -7.106 -13.340 2.213 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -6.997 -11.204 -0.587 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -6.597 -12.803 0.050 1.00 0.00 H new ATOM 850 N SER B 15 -7.766 -7.439 0.068 1.00 0.00 N ATOM 851 CA SER B 15 -6.421 -7.671 -0.393 1.00 0.00 C ATOM 852 C SER B 15 -5.601 -6.396 -0.315 1.00 0.00 C ATOM 853 O SER B 15 -4.453 -6.446 0.070 1.00 0.00 O ATOM 854 CB SER B 15 -6.452 -8.207 -1.820 1.00 0.00 C ATOM 855 OG SER B 15 -7.266 -9.369 -1.898 1.00 0.00 O ATOM 0 H SER B 15 -8.479 -7.550 -0.653 1.00 0.00 H new ATOM 0 HA SER B 15 -5.949 -8.412 0.251 1.00 0.00 H new ATOM 0 HB2 SER B 15 -6.836 -7.441 -2.494 1.00 0.00 H new ATOM 0 HB3 SER B 15 -5.440 -8.442 -2.148 1.00 0.00 H new ATOM 0 HG SER B 15 -8.210 -9.109 -1.867 1.00 0.00 H new ATOM 861 N LEU B 16 -6.214 -5.261 -0.648 1.00 0.00 N ATOM 862 CA LEU B 16 -5.536 -3.978 -0.604 1.00 0.00 C ATOM 863 C LEU B 16 -4.951 -3.744 0.774 1.00 0.00 C ATOM 864 O LEU B 16 -3.787 -3.401 0.893 1.00 0.00 O ATOM 865 CB LEU B 16 -6.499 -2.842 -0.969 1.00 0.00 C ATOM 866 CG LEU B 16 -7.054 -2.884 -2.395 1.00 0.00 C ATOM 867 CD1 LEU B 16 -8.026 -1.736 -2.623 1.00 0.00 C ATOM 868 CD2 LEU B 16 -5.923 -2.832 -3.410 1.00 0.00 C ATOM 0 H LEU B 16 -7.186 -5.210 -0.953 1.00 0.00 H new ATOM 0 HA LEU B 16 -4.728 -3.991 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -7.336 -2.860 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -5.984 -1.892 -0.825 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.592 -3.823 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -8.411 -1.782 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -8.854 -1.815 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.511 -0.787 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.337 -2.863 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -5.358 -1.909 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -5.262 -3.686 -3.263 1.00 0.00 H new ATOM 880 N GLN B 17 -5.760 -3.969 1.805 1.00 0.00 N ATOM 881 CA GLN B 17 -5.328 -3.801 3.179 1.00 0.00 C ATOM 882 C GLN B 17 -4.173 -4.735 3.478 1.00 0.00 C ATOM 883 O GLN B 17 -3.137 -4.294 3.932 1.00 0.00 O ATOM 884 CB GLN B 17 -6.483 -4.068 4.147 1.00 0.00 C ATOM 885 CG GLN B 17 -7.638 -3.089 4.018 1.00 0.00 C ATOM 886 CD GLN B 17 -8.797 -3.442 4.928 1.00 0.00 C ATOM 887 OE1 GLN B 17 -8.859 -3.001 6.075 1.00 0.00 O ATOM 888 NE2 GLN B 17 -9.725 -4.234 4.420 1.00 0.00 N ATOM 0 H GLN B 17 -6.729 -4.272 1.707 1.00 0.00 H new ATOM 0 HA GLN B 17 -4.998 -2.771 3.313 1.00 0.00 H new ATOM 0 HB2 GLN B 17 -6.857 -5.078 3.980 1.00 0.00 H new ATOM 0 HB3 GLN B 17 -6.103 -4.033 5.168 1.00 0.00 H new ATOM 0 HG2 GLN B 17 -7.287 -2.084 4.253 1.00 0.00 H new ATOM 0 HG3 GLN B 17 -7.983 -3.072 2.984 1.00 0.00 H new ATOM 0 HE21 GLN B 17 -9.635 -4.577 3.464 1.00 0.00 H new ATOM 0 HE22 GLN B 17 -10.532 -4.502 4.984 1.00 0.00 H new ATOM 897 N GLU B 18 -4.361 -6.016 3.174 1.00 0.00 N ATOM 898 CA GLU B 18 -3.380 -7.047 3.455 1.00 0.00 C ATOM 899 C GLU B 18 -2.050 -6.708 2.799 1.00 0.00 C ATOM 900 O GLU B 18 -1.021 -6.718 3.458 1.00 0.00 O ATOM 901 CB GLU B 18 -3.915 -8.403 2.969 1.00 0.00 C ATOM 902 CG GLU B 18 -3.030 -9.597 3.301 1.00 0.00 C ATOM 903 CD GLU B 18 -2.081 -9.962 2.177 1.00 0.00 C ATOM 904 OE1 GLU B 18 -2.519 -10.644 1.225 1.00 0.00 O ATOM 905 OE2 GLU B 18 -0.896 -9.575 2.241 1.00 0.00 O ATOM 0 H GLU B 18 -5.206 -6.365 2.722 1.00 0.00 H new ATOM 0 HA GLU B 18 -3.209 -7.105 4.530 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -4.900 -8.566 3.406 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -4.049 -8.358 1.888 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -2.453 -9.376 4.199 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -3.660 -10.456 3.531 1.00 0.00 H new ATOM 912 N GLN B 19 -2.099 -6.367 1.515 1.00 0.00 N ATOM 913 CA GLN B 19 -0.918 -6.028 0.742 1.00 0.00 C ATOM 914 C GLN B 19 -0.140 -4.909 1.411 1.00 0.00 C ATOM 915 O GLN B 19 1.012 -5.092 1.778 1.00 0.00 O ATOM 916 CB GLN B 19 -1.325 -5.611 -0.677 1.00 0.00 C ATOM 917 CG GLN B 19 -0.167 -5.127 -1.542 1.00 0.00 C ATOM 918 CD GLN B 19 0.836 -6.221 -1.858 1.00 0.00 C ATOM 919 OE1 GLN B 19 0.705 -6.928 -2.855 1.00 0.00 O ATOM 920 NE2 GLN B 19 1.843 -6.362 -1.015 1.00 0.00 N ATOM 0 H GLN B 19 -2.967 -6.319 0.982 1.00 0.00 H new ATOM 0 HA GLN B 19 -0.276 -6.907 0.687 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -1.803 -6.458 -1.170 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -2.071 -4.819 -0.611 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -0.562 -4.723 -2.474 1.00 0.00 H new ATOM 0 HG3 GLN B 19 0.344 -4.310 -1.032 1.00 0.00 H new ATOM 0 HE21 GLN B 19 1.914 -5.754 -0.199 1.00 0.00 H new ATOM 0 HE22 GLN B 19 2.549 -7.079 -1.180 1.00 0.00 H new ATOM 929 N ASN B 20 -0.791 -3.773 1.605 1.00 0.00 N ATOM 930 CA ASN B 20 -0.129 -2.585 2.089 1.00 0.00 C ATOM 931 C ASN B 20 0.252 -2.737 3.538 1.00 0.00 C ATOM 932 O ASN B 20 1.188 -2.112 3.979 1.00 0.00 O ATOM 933 CB ASN B 20 -1.007 -1.353 1.884 1.00 0.00 C ATOM 934 CG ASN B 20 -1.106 -0.970 0.422 1.00 0.00 C ATOM 935 OD1 ASN B 20 -0.302 -0.186 -0.081 1.00 0.00 O ATOM 936 ND2 ASN B 20 -2.086 -1.526 -0.271 1.00 0.00 N ATOM 0 H ASN B 20 -1.789 -3.655 1.430 1.00 0.00 H new ATOM 0 HA ASN B 20 0.786 -2.448 1.512 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -2.005 -1.548 2.277 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -0.599 -0.517 2.452 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -2.197 -1.310 -1.262 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -2.731 -2.171 0.185 1.00 0.00 H new ATOM 943 N TYR B 21 -0.463 -3.587 4.264 1.00 0.00 N ATOM 944 CA TYR B 21 -0.146 -3.869 5.647 1.00 0.00 C ATOM 945 C TYR B 21 1.255 -4.438 5.732 1.00 0.00 C ATOM 946 O TYR B 21 2.085 -3.925 6.463 1.00 0.00 O ATOM 947 CB TYR B 21 -1.164 -4.848 6.234 1.00 0.00 C ATOM 948 CG TYR B 21 -0.928 -5.190 7.686 1.00 0.00 C ATOM 949 CD1 TYR B 21 -1.251 -4.290 8.692 1.00 0.00 C ATOM 950 CD2 TYR B 21 -0.388 -6.416 8.051 1.00 0.00 C ATOM 951 CE1 TYR B 21 -1.037 -4.598 10.020 1.00 0.00 C ATOM 952 CE2 TYR B 21 -0.173 -6.733 9.378 1.00 0.00 C ATOM 953 CZ TYR B 21 -0.501 -5.823 10.359 1.00 0.00 C ATOM 954 OH TYR B 21 -0.295 -6.136 11.684 1.00 0.00 O ATOM 0 H TYR B 21 -1.273 -4.095 3.908 1.00 0.00 H new ATOM 0 HA TYR B 21 -0.191 -2.947 6.227 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -2.162 -4.423 6.130 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -1.147 -5.767 5.648 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -1.677 -3.332 8.431 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -0.132 -7.133 7.285 1.00 0.00 H new ATOM 0 HE1 TYR B 21 -1.288 -3.884 10.790 1.00 0.00 H new ATOM 0 HE2 TYR B 21 0.250 -7.690 9.645 1.00 0.00 H new ATOM 0 HH TYR B 21 0.087 -7.036 11.752 1.00 0.00 H new ATOM 964 N HIS B 22 1.520 -5.467 4.934 1.00 0.00 N ATOM 965 CA HIS B 22 2.821 -6.097 4.901 1.00 0.00 C ATOM 966 C HIS B 22 3.866 -5.102 4.453 1.00 0.00 C ATOM 967 O HIS B 22 4.943 -5.053 5.019 1.00 0.00 O ATOM 968 CB HIS B 22 2.813 -7.318 3.978 1.00 0.00 C ATOM 969 CG HIS B 22 2.177 -8.527 4.591 1.00 0.00 C ATOM 970 ND1 HIS B 22 0.956 -9.034 4.193 1.00 0.00 N ATOM 971 CD2 HIS B 22 2.607 -9.337 5.588 1.00 0.00 C ATOM 972 CE1 HIS B 22 0.665 -10.097 4.921 1.00 0.00 C ATOM 973 NE2 HIS B 22 1.650 -10.300 5.772 1.00 0.00 N ATOM 0 H HIS B 22 0.838 -5.881 4.298 1.00 0.00 H new ATOM 0 HA HIS B 22 3.066 -6.437 5.907 1.00 0.00 H new ATOM 0 HB2 HIS B 22 2.284 -7.065 3.059 1.00 0.00 H new ATOM 0 HB3 HIS B 22 3.839 -7.559 3.699 1.00 0.00 H new ATOM 0 HD1 HIS B 22 0.370 -8.648 3.453 1.00 0.00 H new ATOM 0 HD2 HIS B 22 3.533 -9.241 6.136 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -0.228 -10.698 4.834 1.00 0.00 H new ATOM 982 N LEU B 23 3.520 -4.287 3.461 1.00 0.00 N ATOM 983 CA LEU B 23 4.419 -3.276 2.942 1.00 0.00 C ATOM 984 C LEU B 23 4.809 -2.307 4.043 1.00 0.00 C ATOM 985 O LEU B 23 5.981 -2.060 4.242 1.00 0.00 O ATOM 986 CB LEU B 23 3.767 -2.522 1.779 1.00 0.00 C ATOM 987 CG LEU B 23 3.407 -3.379 0.564 1.00 0.00 C ATOM 988 CD1 LEU B 23 2.732 -2.532 -0.503 1.00 0.00 C ATOM 989 CD2 LEU B 23 4.645 -4.056 -0.001 1.00 0.00 C ATOM 0 H LEU B 23 2.611 -4.313 3.000 1.00 0.00 H new ATOM 0 HA LEU B 23 5.318 -3.769 2.572 1.00 0.00 H new ATOM 0 HB2 LEU B 23 2.860 -2.039 2.144 1.00 0.00 H new ATOM 0 HB3 LEU B 23 4.443 -1.730 1.457 1.00 0.00 H new ATOM 0 HG LEU B 23 2.710 -4.152 0.886 1.00 0.00 H new ATOM 0 HD11 LEU B 23 2.483 -3.157 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU B 23 1.821 -2.093 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU B 23 3.408 -1.737 -0.818 1.00 0.00 H new ATOM 0 HD21 LEU B 23 4.367 -4.661 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU B 23 5.367 -3.298 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU B 23 5.090 -4.695 0.761 1.00 0.00 H new ATOM 1001 N GLU B 24 3.818 -1.797 4.770 1.00 0.00 N ATOM 1002 CA GLU B 24 4.050 -0.853 5.842 1.00 0.00 C ATOM 1003 C GLU B 24 4.947 -1.472 6.894 1.00 0.00 C ATOM 1004 O GLU B 24 5.887 -0.844 7.341 1.00 0.00 O ATOM 1005 CB GLU B 24 2.725 -0.424 6.472 1.00 0.00 C ATOM 1006 CG GLU B 24 2.876 0.626 7.560 1.00 0.00 C ATOM 1007 CD GLU B 24 1.557 0.975 8.214 1.00 0.00 C ATOM 1008 OE1 GLU B 24 0.836 1.846 7.682 1.00 0.00 O ATOM 1009 OE2 GLU B 24 1.231 0.384 9.262 1.00 0.00 O ATOM 0 H GLU B 24 2.835 -2.031 4.627 1.00 0.00 H new ATOM 0 HA GLU B 24 4.541 0.028 5.429 1.00 0.00 H new ATOM 0 HB2 GLU B 24 2.072 -0.034 5.692 1.00 0.00 H new ATOM 0 HB3 GLU B 24 2.232 -1.301 6.892 1.00 0.00 H new ATOM 0 HG2 GLU B 24 3.569 0.262 8.318 1.00 0.00 H new ATOM 0 HG3 GLU B 24 3.316 1.527 7.133 1.00 0.00 H new ATOM 1016 N ASN B 25 4.661 -2.719 7.253 1.00 0.00 N ATOM 1017 CA ASN B 25 5.435 -3.428 8.252 1.00 0.00 C ATOM 1018 C ASN B 25 6.881 -3.523 7.810 1.00 0.00 C ATOM 1019 O ASN B 25 7.777 -3.303 8.603 1.00 0.00 O ATOM 1020 CB ASN B 25 4.861 -4.826 8.500 1.00 0.00 C ATOM 1021 CG ASN B 25 3.613 -4.812 9.368 1.00 0.00 C ATOM 1022 OD1 ASN B 25 2.859 -3.724 9.321 1.00 0.00 O flip ATOM 1023 ND2 ASN B 25 3.328 -5.776 10.077 1.00 0.00 N flip ATOM 0 H ASN B 25 3.890 -3.259 6.860 1.00 0.00 H new ATOM 0 HA ASN B 25 5.383 -2.872 9.188 1.00 0.00 H new ATOM 0 HB2 ASN B 25 4.625 -5.291 7.543 1.00 0.00 H new ATOM 0 HB3 ASN B 25 5.621 -5.445 8.977 1.00 0.00 H new ATOM 0 HD21 ASN B 25 3.932 -6.598 10.088 1.00 0.00 H new ATOM 0 HD22 ASN B 25 2.487 -5.754 10.654 1.00 0.00 H new ATOM 1030 N GLU B 26 7.089 -3.814 6.530 1.00 0.00 N ATOM 1031 CA GLU B 26 8.415 -3.876 5.954 1.00 0.00 C ATOM 1032 C GLU B 26 9.095 -2.525 6.099 1.00 0.00 C ATOM 1033 O GLU B 26 10.179 -2.440 6.650 1.00 0.00 O ATOM 1034 CB GLU B 26 8.333 -4.277 4.477 1.00 0.00 C ATOM 1035 CG GLU B 26 9.685 -4.368 3.789 1.00 0.00 C ATOM 1036 CD GLU B 26 9.566 -4.693 2.315 1.00 0.00 C ATOM 1037 OE1 GLU B 26 9.446 -3.754 1.503 1.00 0.00 O ATOM 1038 OE2 GLU B 26 9.607 -5.887 1.959 1.00 0.00 O ATOM 0 H GLU B 26 6.339 -4.012 5.868 1.00 0.00 H new ATOM 0 HA GLU B 26 9.001 -4.628 6.482 1.00 0.00 H new ATOM 0 HB2 GLU B 26 7.831 -5.241 4.400 1.00 0.00 H new ATOM 0 HB3 GLU B 26 7.715 -3.552 3.947 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.213 -3.422 3.907 1.00 0.00 H new ATOM 0 HG3 GLU B 26 10.287 -5.133 4.279 1.00 0.00 H new ATOM 1045 N VAL B 27 8.415 -1.477 5.639 1.00 0.00 N ATOM 1046 CA VAL B 27 8.938 -0.125 5.674 1.00 0.00 C ATOM 1047 C VAL B 27 9.388 0.238 7.072 1.00 0.00 C ATOM 1048 O VAL B 27 10.482 0.739 7.238 1.00 0.00 O ATOM 1049 CB VAL B 27 7.890 0.904 5.188 1.00 0.00 C ATOM 1050 CG1 VAL B 27 8.423 2.325 5.307 1.00 0.00 C ATOM 1051 CG2 VAL B 27 7.478 0.615 3.757 1.00 0.00 C ATOM 0 H VAL B 27 7.483 -1.548 5.231 1.00 0.00 H new ATOM 0 HA VAL B 27 9.793 -0.094 4.998 1.00 0.00 H new ATOM 0 HB VAL B 27 7.012 0.814 5.828 1.00 0.00 H new ATOM 0 HG11 VAL B 27 7.666 3.028 4.959 1.00 0.00 H new ATOM 0 HG12 VAL B 27 8.663 2.537 6.349 1.00 0.00 H new ATOM 0 HG13 VAL B 27 9.322 2.429 4.699 1.00 0.00 H new ATOM 0 HG21 VAL B 27 6.741 1.350 3.435 1.00 0.00 H new ATOM 0 HG22 VAL B 27 8.352 0.670 3.108 1.00 0.00 H new ATOM 0 HG23 VAL B 27 7.045 -0.383 3.698 1.00 0.00 H new ATOM 1061 N ALA B 28 8.553 -0.059 8.067 1.00 0.00 N ATOM 1062 CA ALA B 28 8.823 0.289 9.451 1.00 0.00 C ATOM 1063 C ALA B 28 10.210 -0.151 9.876 1.00 0.00 C ATOM 1064 O ALA B 28 11.021 0.674 10.262 1.00 0.00 O ATOM 1065 CB ALA B 28 7.772 -0.321 10.365 1.00 0.00 C ATOM 0 H ALA B 28 7.669 -0.549 7.930 1.00 0.00 H new ATOM 0 HA ALA B 28 8.779 1.375 9.534 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.988 -0.051 11.399 1.00 0.00 H new ATOM 0 HB2 ALA B 28 6.787 0.056 10.090 1.00 0.00 H new ATOM 0 HB3 ALA B 28 7.786 -1.406 10.263 1.00 0.00 H new ATOM 1071 N ARG B 29 10.490 -1.442 9.770 1.00 0.00 N ATOM 1072 CA ARG B 29 11.764 -1.974 10.188 1.00 0.00 C ATOM 1073 C ARG B 29 12.877 -1.452 9.308 1.00 0.00 C ATOM 1074 O ARG B 29 13.936 -1.131 9.806 1.00 0.00 O ATOM 1075 CB ARG B 29 11.751 -3.502 10.186 1.00 0.00 C ATOM 1076 CG ARG B 29 11.258 -4.094 11.495 1.00 0.00 C ATOM 1077 CD ARG B 29 12.150 -3.658 12.645 1.00 0.00 C ATOM 1078 NE ARG B 29 11.736 -4.226 13.926 1.00 0.00 N ATOM 1079 CZ ARG B 29 12.572 -4.453 14.937 1.00 0.00 C ATOM 1080 NH1 ARG B 29 13.860 -4.152 14.811 1.00 0.00 N ATOM 1081 NH2 ARG B 29 12.120 -4.967 16.074 1.00 0.00 N ATOM 0 H ARG B 29 9.844 -2.137 9.396 1.00 0.00 H new ATOM 0 HA ARG B 29 11.946 -1.640 11.209 1.00 0.00 H new ATOM 0 HB2 ARG B 29 11.116 -3.853 9.373 1.00 0.00 H new ATOM 0 HB3 ARG B 29 12.758 -3.868 9.985 1.00 0.00 H new ATOM 0 HG2 ARG B 29 10.232 -3.776 11.682 1.00 0.00 H new ATOM 0 HG3 ARG B 29 11.247 -5.182 11.428 1.00 0.00 H new ATOM 0 HD2 ARG B 29 13.178 -3.955 12.435 1.00 0.00 H new ATOM 0 HD3 ARG B 29 12.141 -2.570 12.714 1.00 0.00 H new ATOM 0 HE ARG B 29 10.752 -4.462 14.053 1.00 0.00 H new ATOM 0 HH11 ARG B 29 14.207 -3.748 13.941 1.00 0.00 H new ATOM 0 HH12 ARG B 29 14.502 -4.325 15.584 1.00 0.00 H new ATOM 0 HH21 ARG B 29 11.130 -5.189 16.175 1.00 0.00 H new ATOM 0 HH22 ARG B 29 12.763 -5.140 16.847 1.00 0.00 H new ATOM 1095 N LEU B 30 12.616 -1.335 8.012 1.00 0.00 N ATOM 1096 CA LEU B 30 13.609 -0.874 7.067 1.00 0.00 C ATOM 1097 C LEU B 30 14.058 0.540 7.394 1.00 0.00 C ATOM 1098 O LEU B 30 15.244 0.787 7.495 1.00 0.00 O ATOM 1099 CB LEU B 30 13.072 -0.948 5.634 1.00 0.00 C ATOM 1100 CG LEU B 30 13.442 -2.217 4.857 1.00 0.00 C ATOM 1101 CD1 LEU B 30 12.950 -3.465 5.573 1.00 0.00 C ATOM 1102 CD2 LEU B 30 12.880 -2.159 3.444 1.00 0.00 C ATOM 0 H LEU B 30 11.713 -1.557 7.594 1.00 0.00 H new ATOM 0 HA LEU B 30 14.475 -1.532 7.145 1.00 0.00 H new ATOM 0 HB2 LEU B 30 11.986 -0.866 5.667 1.00 0.00 H new ATOM 0 HB3 LEU B 30 13.440 -0.084 5.081 1.00 0.00 H new ATOM 0 HG LEU B 30 14.529 -2.269 4.800 1.00 0.00 H new ATOM 0 HD11 LEU B 30 13.228 -4.348 4.997 1.00 0.00 H new ATOM 0 HD12 LEU B 30 13.404 -3.519 6.563 1.00 0.00 H new ATOM 0 HD13 LEU B 30 11.865 -3.423 5.673 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.152 -3.067 2.907 1.00 0.00 H new ATOM 0 HD22 LEU B 30 11.794 -2.074 3.487 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.291 -1.293 2.924 1.00 0.00 H new ATOM 1114 N LYS B 31 13.108 1.457 7.600 1.00 0.00 N ATOM 1115 CA LYS B 31 13.440 2.843 7.853 1.00 0.00 C ATOM 1116 C LYS B 31 14.137 2.974 9.187 1.00 0.00 C ATOM 1117 O LYS B 31 14.980 3.832 9.349 1.00 0.00 O ATOM 1118 CB LYS B 31 12.198 3.751 7.767 1.00 0.00 C ATOM 1119 CG LYS B 31 11.068 3.410 8.730 1.00 0.00 C ATOM 1120 CD LYS B 31 11.229 4.098 10.076 1.00 0.00 C ATOM 1121 CE LYS B 31 10.099 3.726 11.021 1.00 0.00 C ATOM 1122 NZ LYS B 31 10.198 4.444 12.315 1.00 0.00 N ATOM 0 H LYS B 31 12.108 1.255 7.595 1.00 0.00 H new ATOM 0 HA LYS B 31 14.125 3.179 7.075 1.00 0.00 H new ATOM 0 HB2 LYS B 31 12.509 4.780 7.949 1.00 0.00 H new ATOM 0 HB3 LYS B 31 11.809 3.710 6.749 1.00 0.00 H new ATOM 0 HG2 LYS B 31 10.116 3.702 8.287 1.00 0.00 H new ATOM 0 HG3 LYS B 31 11.033 2.331 8.878 1.00 0.00 H new ATOM 0 HD2 LYS B 31 12.185 3.817 10.519 1.00 0.00 H new ATOM 0 HD3 LYS B 31 11.248 5.179 9.935 1.00 0.00 H new ATOM 0 HE2 LYS B 31 9.143 3.956 10.551 1.00 0.00 H new ATOM 0 HE3 LYS B 31 10.116 2.651 11.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 9.408 4.162 12.930 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 11.099 4.205 12.776 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 10.156 5.470 12.147 1.00 0.00 H new ATOM 1136 N LYS B 32 13.803 2.096 10.129 1.00 0.00 N ATOM 1137 CA LYS B 32 14.466 2.091 11.423 1.00 0.00 C ATOM 1138 C LYS B 32 15.900 1.590 11.281 1.00 0.00 C ATOM 1139 O LYS B 32 16.813 2.108 11.920 1.00 0.00 O ATOM 1140 CB LYS B 32 13.701 1.221 12.424 1.00 0.00 C ATOM 1141 CG LYS B 32 14.397 1.091 13.770 1.00 0.00 C ATOM 1142 CD LYS B 32 13.582 0.263 14.745 1.00 0.00 C ATOM 1143 CE LYS B 32 14.326 0.057 16.057 1.00 0.00 C ATOM 1144 NZ LYS B 32 14.719 1.345 16.689 1.00 0.00 N ATOM 0 H LYS B 32 13.081 1.384 10.019 1.00 0.00 H new ATOM 0 HA LYS B 32 14.484 3.114 11.800 1.00 0.00 H new ATOM 0 HB2 LYS B 32 12.708 1.644 12.577 1.00 0.00 H new ATOM 0 HB3 LYS B 32 13.562 0.227 11.998 1.00 0.00 H new ATOM 0 HG2 LYS B 32 15.375 0.631 13.631 1.00 0.00 H new ATOM 0 HG3 LYS B 32 14.568 2.083 14.189 1.00 0.00 H new ATOM 0 HD2 LYS B 32 12.631 0.758 14.939 1.00 0.00 H new ATOM 0 HD3 LYS B 32 13.353 -0.705 14.299 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.696 -0.506 16.745 1.00 0.00 H new ATOM 0 HE3 LYS B 32 15.217 -0.544 15.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.563 1.290 17.716 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.725 1.531 16.501 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.144 2.116 16.293 1.00 0.00 H new ATOM 1158 N LEU B 33 16.089 0.598 10.420 1.00 0.00 N ATOM 1159 CA LEU B 33 17.400 -0.007 10.209 1.00 0.00 C ATOM 1160 C LEU B 33 18.385 0.999 9.616 1.00 0.00 C ATOM 1161 O LEU B 33 19.541 1.071 10.033 1.00 0.00 O ATOM 1162 CB LEU B 33 17.273 -1.223 9.285 1.00 0.00 C ATOM 1163 CG LEU B 33 18.567 -2.002 9.044 1.00 0.00 C ATOM 1164 CD1 LEU B 33 19.057 -2.642 10.335 1.00 0.00 C ATOM 1165 CD2 LEU B 33 18.356 -3.055 7.968 1.00 0.00 C ATOM 0 H LEU B 33 15.345 0.192 9.852 1.00 0.00 H new ATOM 0 HA LEU B 33 17.785 -0.327 11.177 1.00 0.00 H new ATOM 0 HB2 LEU B 33 16.533 -1.903 9.707 1.00 0.00 H new ATOM 0 HB3 LEU B 33 16.886 -0.888 8.323 1.00 0.00 H new ATOM 0 HG LEU B 33 19.332 -1.305 8.700 1.00 0.00 H new ATOM 0 HD11 LEU B 33 19.978 -3.191 10.142 1.00 0.00 H new ATOM 0 HD12 LEU B 33 19.246 -1.866 11.077 1.00 0.00 H new ATOM 0 HD13 LEU B 33 18.298 -3.328 10.712 1.00 0.00 H new ATOM 0 HD21 LEU B 33 19.285 -3.602 7.807 1.00 0.00 H new ATOM 0 HD22 LEU B 33 17.577 -3.748 8.285 1.00 0.00 H new ATOM 0 HD23 LEU B 33 18.054 -2.571 7.039 1.00 0.00 H new ATOM 1177 N VAL B 34 17.927 1.774 8.642 1.00 0.00 N ATOM 1178 CA VAL B 34 18.784 2.757 7.992 1.00 0.00 C ATOM 1179 C VAL B 34 18.962 3.999 8.870 1.00 0.00 C ATOM 1180 O VAL B 34 20.000 4.662 8.820 1.00 0.00 O ATOM 1181 CB VAL B 34 18.241 3.161 6.598 1.00 0.00 C ATOM 1182 CG1 VAL B 34 16.873 3.821 6.700 1.00 0.00 C ATOM 1183 CG2 VAL B 34 19.225 4.070 5.877 1.00 0.00 C ATOM 0 H VAL B 34 16.972 1.742 8.286 1.00 0.00 H new ATOM 0 HA VAL B 34 19.757 2.287 7.850 1.00 0.00 H new ATOM 0 HB VAL B 34 18.124 2.248 6.014 1.00 0.00 H new ATOM 0 HG11 VAL B 34 16.524 4.091 5.703 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.167 3.127 7.156 1.00 0.00 H new ATOM 0 HG13 VAL B 34 16.947 4.719 7.314 1.00 0.00 H new ATOM 0 HG21 VAL B 34 18.822 4.340 4.901 1.00 0.00 H new ATOM 0 HG22 VAL B 34 19.385 4.973 6.466 1.00 0.00 H new ATOM 0 HG23 VAL B 34 20.173 3.549 5.747 1.00 0.00 H new ATOM 1193 N GLY B 35 17.955 4.303 9.681 1.00 0.00 N ATOM 1194 CA GLY B 35 18.045 5.435 10.583 1.00 0.00 C ATOM 1195 C GLY B 35 18.949 5.140 11.758 1.00 0.00 C ATOM 1196 O GLY B 35 19.905 5.874 12.022 1.00 0.00 O ATOM 0 H GLY B 35 17.078 3.785 9.730 1.00 0.00 H new ATOM 0 HA2 GLY B 35 18.422 6.303 10.042 1.00 0.00 H new ATOM 0 HA3 GLY B 35 17.050 5.693 10.945 1.00 0.00 H new ATOM 1200 N GLU B 36 18.657 4.052 12.450 1.00 0.00 N ATOM 1201 CA GLU B 36 19.465 3.611 13.570 1.00 0.00 C ATOM 1202 C GLU B 36 20.648 2.806 13.044 1.00 0.00 C ATOM 1203 O GLU B 36 20.620 1.577 13.004 1.00 0.00 O ATOM 1204 CB GLU B 36 18.607 2.779 14.530 1.00 0.00 C ATOM 1205 CG GLU B 36 19.325 2.322 15.787 1.00 0.00 C ATOM 1206 CD GLU B 36 18.396 1.597 16.736 1.00 0.00 C ATOM 1207 OE1 GLU B 36 17.745 0.621 16.308 1.00 0.00 O ATOM 1208 OE2 GLU B 36 18.303 2.001 17.918 1.00 0.00 O ATOM 0 H GLU B 36 17.856 3.453 12.251 1.00 0.00 H new ATOM 0 HA GLU B 36 19.847 4.470 14.121 1.00 0.00 H new ATOM 0 HB2 GLU B 36 17.735 3.366 14.819 1.00 0.00 H new ATOM 0 HB3 GLU B 36 18.238 1.901 13.999 1.00 0.00 H new ATOM 0 HG2 GLU B 36 20.151 1.665 15.515 1.00 0.00 H new ATOM 0 HG3 GLU B 36 19.758 3.186 16.292 1.00 0.00 H new ATOM 1215 N ARG B 37 21.661 3.522 12.592 1.00 0.00 N ATOM 1216 CA ARG B 37 22.810 2.914 11.948 1.00 0.00 C ATOM 1217 C ARG B 37 23.934 2.734 12.957 1.00 0.00 C ATOM 1218 O ARG B 37 24.450 3.756 13.460 1.00 0.00 O ATOM 1219 CB ARG B 37 23.268 3.801 10.785 1.00 0.00 C ATOM 1220 CG ARG B 37 24.144 3.099 9.761 1.00 0.00 C ATOM 1221 CD ARG B 37 24.598 4.076 8.689 1.00 0.00 C ATOM 1222 NE ARG B 37 25.265 3.417 7.565 1.00 0.00 N ATOM 1223 CZ ARG B 37 26.519 3.676 7.189 1.00 0.00 C ATOM 1224 NH1 ARG B 37 27.285 4.467 7.932 1.00 0.00 N ATOM 1225 NH2 ARG B 37 27.014 3.126 6.086 1.00 0.00 N ATOM 1226 OXT ARG B 37 24.293 1.579 13.256 1.00 0.00 O ATOM 0 H ARG B 37 21.710 4.538 12.661 1.00 0.00 H new ATOM 0 HA ARG B 37 22.536 1.933 11.559 1.00 0.00 H new ATOM 0 HB2 ARG B 37 22.388 4.198 10.279 1.00 0.00 H new ATOM 0 HB3 ARG B 37 23.815 4.653 11.189 1.00 0.00 H new ATOM 0 HG2 ARG B 37 25.012 2.663 10.255 1.00 0.00 H new ATOM 0 HG3 ARG B 37 23.592 2.278 9.303 1.00 0.00 H new ATOM 0 HD2 ARG B 37 23.735 4.629 8.319 1.00 0.00 H new ATOM 0 HD3 ARG B 37 25.277 4.804 9.132 1.00 0.00 H new ATOM 0 HE ARG B 37 24.740 2.719 7.038 1.00 0.00 H new ATOM 0 HH11 ARG B 37 26.915 4.876 8.790 1.00 0.00 H new ATOM 0 HH12 ARG B 37 28.243 4.665 7.645 1.00 0.00 H new ATOM 0 HH21 ARG B 37 26.435 2.503 5.523 1.00 0.00 H new ATOM 0 HH22 ARG B 37 27.973 3.327 5.802 1.00 0.00 H new TER 1240 ARG B 37