USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1097 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 127 GLN : amide:sc= -2.26 K(o=-10,f=-11) USER MOD Set 1.2: A 129 HIS : no HE2:sc= -7.73! C(o=-10!,f=-9.1!) USER MOD Set 2.1: A 103 ASN : amide:sc= -0.914 K(o=-1.8,f=0.98) USER MOD Set 2.2: A 110 THR OG1 : rot -150:sc= -0.837 USER MOD Set 3.1: A 63 SER OG : rot 9:sc= 1.13 USER MOD Set 3.2: A 100 TYR OH : rot 44:sc= 0.0878 USER MOD Set 4.1: A 29 HIS : no HD1:sc= -3.68! K(o=-3.7!,f=-2.5) USER MOD Set 4.2: A 102 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 18 SER OG : rot 43:sc=-0.00311 USER MOD Set 5.2: A 19 ASN : amide:sc= -0.111 K(o=-22,f=-26!) USER MOD Set 5.3: A 55 HIS : no HD1:sc= -14! C(o=-22!,f=-24!) USER MOD Set 5.4: A 119 MET CE :methyl -153:sc= -7.82! (180deg=-3.29!) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0629 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0547 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 11 TYR OH : 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0516 (180deg=-0.354) USER MOD Single : A 24 HIS : no HD1:sc= -7.84! C(o=-7.8!,f=-8!) USER MOD Single : A 25 ASN : amide:sc= -0.0382 X(o=-0.038,f=-0.23) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 120:sc= -2.77! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0708 K(o=-0.071,f=-1.7!) USER MOD Single : A 40 GLN : amide:sc= -0.0964 X(o=-0.096,f=-0.4) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.635 K(o=0.63,f=-0.91) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -134:sc= -1.19! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.11 X(o=-2.1,f=-2.4) USER MOD Single : A 64 SER OG : rot 66:sc= 1.2 USER MOD Single : A 65 CYS SG : rot 155:sc= -0.629 USER MOD Single : A 66 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.035) USER MOD Single : A 71 TYR OH : rot -15:sc= -1.31 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 149:sc= 0.545 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 95 MET CE :methyl -161:sc= -0.461 (180deg=-0.964) USER MOD Single : A 101 LYS NZ :NH3+ -142:sc= -0.332 (180deg=-1.73!) USER MOD Single : A 104 SER OG : rot 24:sc= 0.843 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.186 K(o=-0.19,f=-0.79) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -135:sc= -2.21! (180deg=-2.34) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 47:sc= 0.044 USER MOD Single : A 125 THR OG1 : rot 52:sc= 0.0929 USER MOD Single : A 132 GLN : amide:sc= -0.0899 K(o=-0.09,f=-1.6!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 49:sc=0.000344 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.331 17.671 14.830 1.00 0.00 N ATOM 2 CA GLY A 1 7.656 18.107 14.423 1.00 0.00 C ATOM 3 C GLY A 1 8.284 19.014 15.484 1.00 0.00 C ATOM 4 O GLY A 1 7.937 18.930 16.661 1.00 0.00 O ATOM 0 H1 GLY A 1 6.275 16.634 14.776 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.150 17.977 15.807 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.619 18.090 14.198 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.294 17.239 14.258 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.592 18.641 13.475 1.00 0.00 H new ATOM 8 N SER A 2 9.197 19.859 15.028 1.00 0.00 N ATOM 9 CA SER A 2 9.876 20.780 15.923 1.00 0.00 C ATOM 10 C SER A 2 10.152 22.102 15.204 1.00 0.00 C ATOM 11 O SER A 2 9.696 23.157 15.640 1.00 0.00 O ATOM 12 CB SER A 2 11.182 20.178 16.446 1.00 0.00 C ATOM 13 OG SER A 2 12.007 19.693 15.390 1.00 0.00 O ATOM 0 H SER A 2 9.482 19.925 14.051 1.00 0.00 H new ATOM 0 HA SER A 2 9.226 20.968 16.777 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.727 20.932 17.014 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.956 19.363 17.133 1.00 0.00 H new ATOM 0 HG SER A 2 12.831 19.318 15.765 1.00 0.00 H new ATOM 19 N SER A 3 10.898 22.000 14.113 1.00 0.00 N ATOM 20 CA SER A 3 11.240 23.174 13.328 1.00 0.00 C ATOM 21 C SER A 3 10.709 23.023 11.902 1.00 0.00 C ATOM 22 O SER A 3 9.923 23.848 11.437 1.00 0.00 O ATOM 23 CB SER A 3 12.753 23.403 13.310 1.00 0.00 C ATOM 24 OG SER A 3 13.083 24.778 13.130 1.00 0.00 O ATOM 0 H SER A 3 11.275 21.123 13.755 1.00 0.00 H new ATOM 0 HA SER A 3 10.774 24.043 13.792 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.185 23.046 14.245 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.199 22.815 12.508 1.00 0.00 H new ATOM 0 HG SER A 3 14.057 24.883 13.126 1.00 0.00 H new ATOM 30 N GLY A 4 11.160 21.964 11.245 1.00 0.00 N ATOM 31 CA GLY A 4 10.740 21.695 9.881 1.00 0.00 C ATOM 32 C GLY A 4 11.948 21.562 8.951 1.00 0.00 C ATOM 33 O GLY A 4 13.088 21.530 9.411 1.00 0.00 O ATOM 0 H GLY A 4 11.812 21.282 11.633 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.152 20.778 9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.094 22.500 9.530 1.00 0.00 H new ATOM 37 N SER A 5 11.656 21.487 7.661 1.00 0.00 N ATOM 38 CA SER A 5 12.704 21.359 6.663 1.00 0.00 C ATOM 39 C SER A 5 12.403 22.266 5.468 1.00 0.00 C ATOM 40 O SER A 5 13.243 23.071 5.069 1.00 0.00 O ATOM 41 CB SER A 5 12.851 19.907 6.203 1.00 0.00 C ATOM 42 OG SER A 5 13.985 19.727 5.359 1.00 0.00 O ATOM 0 H SER A 5 10.709 21.512 7.284 1.00 0.00 H new ATOM 0 HA SER A 5 13.647 21.666 7.116 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.941 19.258 7.074 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.950 19.603 5.670 1.00 0.00 H new ATOM 0 HG SER A 5 14.045 18.787 5.088 1.00 0.00 H new ATOM 48 N SER A 6 11.203 22.106 4.932 1.00 0.00 N ATOM 49 CA SER A 6 10.781 22.900 3.791 1.00 0.00 C ATOM 50 C SER A 6 11.696 22.626 2.595 1.00 0.00 C ATOM 51 O SER A 6 12.896 22.415 2.763 1.00 0.00 O ATOM 52 CB SER A 6 10.781 24.392 4.128 1.00 0.00 C ATOM 53 OG SER A 6 9.916 24.693 5.220 1.00 0.00 O ATOM 0 H SER A 6 10.509 21.438 5.267 1.00 0.00 H new ATOM 0 HA SER A 6 9.761 22.613 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.795 24.709 4.371 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.471 24.961 3.252 1.00 0.00 H new ATOM 0 HG SER A 6 9.945 25.655 5.405 1.00 0.00 H new ATOM 59 N GLY A 7 11.094 22.638 1.415 1.00 0.00 N ATOM 60 CA GLY A 7 11.839 22.394 0.192 1.00 0.00 C ATOM 61 C GLY A 7 10.998 22.734 -1.040 1.00 0.00 C ATOM 62 O GLY A 7 9.770 22.686 -0.990 1.00 0.00 O ATOM 0 H GLY A 7 10.098 22.813 1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.750 22.993 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.145 21.349 0.151 1.00 0.00 H new ATOM 66 N PRO A 8 11.711 23.079 -2.145 1.00 0.00 N ATOM 67 CA PRO A 8 11.044 23.427 -3.388 1.00 0.00 C ATOM 68 C PRO A 8 10.500 22.180 -4.087 1.00 0.00 C ATOM 69 O PRO A 8 11.177 21.154 -4.149 1.00 0.00 O ATOM 70 CB PRO A 8 12.096 24.156 -4.208 1.00 0.00 C ATOM 71 CG PRO A 8 13.436 23.784 -3.594 1.00 0.00 C ATOM 72 CD PRO A 8 13.167 23.147 -2.241 1.00 0.00 C ATOM 0 HA PRO A 8 10.170 24.059 -3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.050 23.858 -5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.938 25.234 -4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.974 23.092 -4.242 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.063 24.668 -3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.615 22.155 -2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.590 23.743 -1.432 1.00 0.00 H new ATOM 80 N ARG A 9 9.283 22.308 -4.594 1.00 0.00 N ATOM 81 CA ARG A 9 8.641 21.203 -5.286 1.00 0.00 C ATOM 82 C ARG A 9 8.673 21.433 -6.798 1.00 0.00 C ATOM 83 O ARG A 9 9.361 22.333 -7.279 1.00 0.00 O ATOM 84 CB ARG A 9 7.189 21.040 -4.833 1.00 0.00 C ATOM 85 CG ARG A 9 7.095 20.972 -3.307 1.00 0.00 C ATOM 86 CD ARG A 9 7.026 22.375 -2.699 1.00 0.00 C ATOM 87 NE ARG A 9 6.603 22.293 -1.283 1.00 0.00 N ATOM 88 CZ ARG A 9 5.340 22.088 -0.887 1.00 0.00 C ATOM 89 NH1 ARG A 9 4.367 21.944 -1.798 1.00 0.00 N ATOM 90 NH2 ARG A 9 5.048 22.028 0.419 1.00 0.00 N ATOM 0 H ARG A 9 8.724 23.160 -4.540 1.00 0.00 H new ATOM 0 HA ARG A 9 9.191 20.294 -5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.594 21.876 -5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.768 20.133 -5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.211 20.403 -3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.960 20.441 -2.909 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.000 22.859 -2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.324 22.990 -3.262 1.00 0.00 H new ATOM 0 HE ARG A 9 7.318 22.399 -0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.589 21.991 -2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.405 21.788 -1.497 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.788 22.138 1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.086 21.872 0.720 1.00 0.00 H new ATOM 104 N LEU A 10 7.919 20.605 -7.507 1.00 0.00 N ATOM 105 CA LEU A 10 7.853 20.707 -8.955 1.00 0.00 C ATOM 106 C LEU A 10 6.415 20.457 -9.414 1.00 0.00 C ATOM 107 O LEU A 10 5.739 19.570 -8.894 1.00 0.00 O ATOM 108 CB LEU A 10 8.877 19.774 -9.605 1.00 0.00 C ATOM 109 CG LEU A 10 8.651 19.458 -11.085 1.00 0.00 C ATOM 110 CD1 LEU A 10 8.898 20.692 -11.954 1.00 0.00 C ATOM 111 CD2 LEU A 10 9.502 18.266 -11.527 1.00 0.00 C ATOM 0 H LEU A 10 7.349 19.861 -7.105 1.00 0.00 H new ATOM 0 HA LEU A 10 8.122 21.712 -9.279 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.866 20.219 -9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.887 18.835 -9.051 1.00 0.00 H new ATOM 0 HG LEU A 10 7.607 19.175 -11.218 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.730 20.439 -13.001 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.214 21.488 -11.659 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.926 21.030 -11.822 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.323 18.062 -12.583 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.557 18.496 -11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.234 17.389 -10.938 1.00 0.00 H new ATOM 123 N TYR A 11 5.990 21.254 -10.382 1.00 0.00 N ATOM 124 CA TYR A 11 4.644 21.131 -10.917 1.00 0.00 C ATOM 125 C TYR A 11 4.676 20.720 -12.390 1.00 0.00 C ATOM 126 O TYR A 11 5.509 21.202 -13.156 1.00 0.00 O ATOM 127 CB TYR A 11 4.015 22.521 -10.801 1.00 0.00 C ATOM 128 CG TYR A 11 3.326 22.782 -9.460 1.00 0.00 C ATOM 129 CD1 TYR A 11 4.052 22.717 -8.288 1.00 0.00 C ATOM 130 CD2 TYR A 11 1.980 23.083 -9.423 1.00 0.00 C ATOM 131 CE1 TYR A 11 3.403 22.963 -7.026 1.00 0.00 C ATOM 132 CE2 TYR A 11 1.332 23.329 -8.161 1.00 0.00 C ATOM 133 CZ TYR A 11 2.076 23.257 -7.024 1.00 0.00 C ATOM 134 OH TYR A 11 1.463 23.489 -5.832 1.00 0.00 O ATOM 0 H TYR A 11 6.554 21.988 -10.811 1.00 0.00 H new ATOM 0 HA TYR A 11 4.082 20.372 -10.373 1.00 0.00 H new ATOM 0 HB2 TYR A 11 4.790 23.273 -10.952 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.287 22.647 -11.603 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.106 22.482 -8.317 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.413 23.134 -10.341 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.959 22.915 -6.101 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.279 23.565 -8.118 1.00 0.00 H new ATOM 0 HH TYR A 11 0.516 23.688 -5.985 1.00 0.00 H new ATOM 144 N LYS A 12 3.757 19.832 -12.744 1.00 0.00 N ATOM 145 CA LYS A 12 3.669 19.351 -14.112 1.00 0.00 C ATOM 146 C LYS A 12 2.443 18.446 -14.251 1.00 0.00 C ATOM 147 O LYS A 12 2.177 17.617 -13.382 1.00 0.00 O ATOM 148 CB LYS A 12 4.979 18.680 -14.529 1.00 0.00 C ATOM 149 CG LYS A 12 5.200 17.379 -13.754 1.00 0.00 C ATOM 150 CD LYS A 12 6.233 16.493 -14.454 1.00 0.00 C ATOM 151 CE LYS A 12 6.286 15.104 -13.815 1.00 0.00 C ATOM 152 NZ LYS A 12 7.328 14.275 -14.462 1.00 0.00 N ATOM 0 H LYS A 12 3.067 19.434 -12.107 1.00 0.00 H new ATOM 0 HA LYS A 12 3.531 20.184 -14.801 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.960 18.472 -15.599 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.812 19.360 -14.351 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.536 17.607 -12.743 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.256 16.841 -13.663 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.983 16.402 -15.511 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.216 16.961 -14.398 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.495 15.195 -12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.315 14.617 -13.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.351 13.336 -14.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.112 14.173 -15.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.255 14.733 -14.351 1.00 0.00 H new ATOM 166 N GLU A 13 1.730 18.635 -15.352 1.00 0.00 N ATOM 167 CA GLU A 13 0.539 17.846 -15.616 1.00 0.00 C ATOM 168 C GLU A 13 0.756 16.395 -15.180 1.00 0.00 C ATOM 169 O GLU A 13 1.888 15.915 -15.148 1.00 0.00 O ATOM 170 CB GLU A 13 0.148 17.922 -17.093 1.00 0.00 C ATOM 171 CG GLU A 13 -1.050 18.853 -17.296 1.00 0.00 C ATOM 172 CD GLU A 13 -0.776 19.862 -18.413 1.00 0.00 C ATOM 173 OE1 GLU A 13 0.109 20.719 -18.199 1.00 0.00 O ATOM 174 OE2 GLU A 13 -1.459 19.755 -19.454 1.00 0.00 O ATOM 0 H GLU A 13 1.954 19.323 -16.071 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.284 18.260 -15.034 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.995 18.280 -17.679 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.095 16.925 -17.460 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.935 18.265 -17.541 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.266 19.382 -16.368 1.00 0.00 H new ATOM 181 N PRO A 14 -0.377 15.720 -14.848 1.00 0.00 N ATOM 182 CA PRO A 14 -0.322 14.334 -14.415 1.00 0.00 C ATOM 183 C PRO A 14 -0.072 13.399 -15.601 1.00 0.00 C ATOM 184 O PRO A 14 -0.105 13.829 -16.753 1.00 0.00 O ATOM 185 CB PRO A 14 -1.656 14.082 -13.732 1.00 0.00 C ATOM 186 CG PRO A 14 -2.586 15.184 -14.213 1.00 0.00 C ATOM 187 CD PRO A 14 -1.735 16.256 -14.874 1.00 0.00 C ATOM 0 HA PRO A 14 0.504 14.139 -13.731 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.048 13.099 -13.992 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.550 14.106 -12.647 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.316 14.787 -14.919 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.146 15.603 -13.377 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.065 16.450 -15.895 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.798 17.201 -14.334 1.00 0.00 H new ATOM 195 N SER A 15 0.173 12.138 -15.277 1.00 0.00 N ATOM 196 CA SER A 15 0.429 11.139 -16.301 1.00 0.00 C ATOM 197 C SER A 15 0.804 9.806 -15.649 1.00 0.00 C ATOM 198 O SER A 15 1.979 9.542 -15.399 1.00 0.00 O ATOM 199 CB SER A 15 1.538 11.596 -17.251 1.00 0.00 C ATOM 200 OG SER A 15 1.165 11.445 -18.618 1.00 0.00 O ATOM 0 H SER A 15 0.200 11.785 -14.320 1.00 0.00 H new ATOM 0 HA SER A 15 -0.481 11.007 -16.886 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.777 12.641 -17.054 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.443 11.020 -17.056 1.00 0.00 H new ATOM 0 HG SER A 15 1.898 11.749 -19.193 1.00 0.00 H new ATOM 206 N ALA A 16 -0.217 9.002 -15.393 1.00 0.00 N ATOM 207 CA ALA A 16 -0.009 7.703 -14.775 1.00 0.00 C ATOM 208 C ALA A 16 1.101 6.960 -15.521 1.00 0.00 C ATOM 209 O ALA A 16 0.935 6.594 -16.684 1.00 0.00 O ATOM 210 CB ALA A 16 -1.327 6.926 -14.766 1.00 0.00 C ATOM 0 H ALA A 16 -1.190 9.224 -15.602 1.00 0.00 H new ATOM 0 HA ALA A 16 0.310 7.817 -13.739 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.172 5.952 -14.303 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.074 7.482 -14.199 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.676 6.790 -15.790 1.00 0.00 H new ATOM 216 N LYS A 17 2.208 6.759 -14.822 1.00 0.00 N ATOM 217 CA LYS A 17 3.345 6.066 -15.404 1.00 0.00 C ATOM 218 C LYS A 17 3.897 5.060 -14.391 1.00 0.00 C ATOM 219 O LYS A 17 5.035 4.610 -14.515 1.00 0.00 O ATOM 220 CB LYS A 17 4.386 7.069 -15.904 1.00 0.00 C ATOM 221 CG LYS A 17 4.209 7.344 -17.399 1.00 0.00 C ATOM 222 CD LYS A 17 5.201 8.403 -17.883 1.00 0.00 C ATOM 223 CE LYS A 17 5.512 8.224 -19.370 1.00 0.00 C ATOM 224 NZ LYS A 17 4.708 9.162 -20.184 1.00 0.00 N ATOM 0 H LYS A 17 2.342 7.064 -13.858 1.00 0.00 H new ATOM 0 HA LYS A 17 3.036 5.499 -16.282 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.296 8.001 -15.346 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.388 6.682 -15.718 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.353 6.422 -17.962 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.190 7.680 -17.593 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.789 9.398 -17.711 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.122 8.335 -17.304 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.573 8.396 -19.549 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.300 7.198 -19.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.931 9.027 -21.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.696 8.979 -20.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.930 10.140 -19.908 1.00 0.00 H new ATOM 238 N SER A 18 3.065 4.738 -13.412 1.00 0.00 N ATOM 239 CA SER A 18 3.455 3.794 -12.378 1.00 0.00 C ATOM 240 C SER A 18 2.276 2.884 -12.029 1.00 0.00 C ATOM 241 O SER A 18 1.349 2.730 -12.822 1.00 0.00 O ATOM 242 CB SER A 18 3.953 4.522 -11.128 1.00 0.00 C ATOM 243 OG SER A 18 5.255 4.091 -10.741 1.00 0.00 O ATOM 0 H SER A 18 2.122 5.114 -13.313 1.00 0.00 H new ATOM 0 HA SER A 18 4.274 3.185 -12.761 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.968 5.596 -11.316 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.256 4.351 -10.307 1.00 0.00 H new ATOM 0 HG SER A 18 5.821 4.005 -11.536 1.00 0.00 H new ATOM 249 N ASN A 19 2.350 2.304 -10.840 1.00 0.00 N ATOM 250 CA ASN A 19 1.301 1.412 -10.375 1.00 0.00 C ATOM 251 C ASN A 19 0.361 2.180 -9.444 1.00 0.00 C ATOM 252 O ASN A 19 0.172 1.794 -8.291 1.00 0.00 O ATOM 253 CB ASN A 19 1.885 0.235 -9.592 1.00 0.00 C ATOM 254 CG ASN A 19 2.946 0.710 -8.598 1.00 0.00 C ATOM 255 OD1 ASN A 19 4.057 1.064 -8.959 1.00 0.00 O ATOM 256 ND2 ASN A 19 2.545 0.698 -7.331 1.00 0.00 N ATOM 0 H ASN A 19 3.120 2.434 -10.184 1.00 0.00 H new ATOM 0 HA ASN A 19 0.768 1.035 -11.248 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.088 -0.283 -9.059 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.325 -0.484 -10.283 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.181 0.997 -6.592 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.601 0.390 -7.098 1.00 0.00 H new ATOM 263 N LYS A 20 -0.204 3.253 -9.978 1.00 0.00 N ATOM 264 CA LYS A 20 -1.119 4.078 -9.208 1.00 0.00 C ATOM 265 C LYS A 20 -2.504 3.427 -9.203 1.00 0.00 C ATOM 266 O LYS A 20 -3.100 3.235 -8.144 1.00 0.00 O ATOM 267 CB LYS A 20 -1.117 5.515 -9.735 1.00 0.00 C ATOM 268 CG LYS A 20 -2.454 6.204 -9.453 1.00 0.00 C ATOM 269 CD LYS A 20 -2.257 7.700 -9.198 1.00 0.00 C ATOM 270 CE LYS A 20 -1.697 8.398 -10.439 1.00 0.00 C ATOM 271 NZ LYS A 20 -2.647 8.288 -11.569 1.00 0.00 N ATOM 0 H LYS A 20 -0.046 3.570 -10.935 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.793 4.143 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.308 6.077 -9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.924 5.513 -10.808 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.126 6.061 -10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.929 5.743 -8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.208 8.153 -8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.577 7.843 -8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.506 9.448 -10.218 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.742 7.951 -10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.393 8.978 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.605 7.328 -11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.612 8.481 -11.232 1.00 0.00 H new ATOM 285 N PHE A 21 -2.976 3.105 -10.398 1.00 0.00 N ATOM 286 CA PHE A 21 -4.279 2.480 -10.545 1.00 0.00 C ATOM 287 C PHE A 21 -4.304 1.103 -9.879 1.00 0.00 C ATOM 288 O PHE A 21 -5.374 0.560 -9.607 1.00 0.00 O ATOM 289 CB PHE A 21 -4.529 2.313 -12.045 1.00 0.00 C ATOM 290 CG PHE A 21 -4.942 3.604 -12.755 1.00 0.00 C ATOM 291 CD1 PHE A 21 -6.254 3.955 -12.818 1.00 0.00 C ATOM 292 CD2 PHE A 21 -3.997 4.400 -13.322 1.00 0.00 C ATOM 293 CE1 PHE A 21 -6.638 5.153 -13.477 1.00 0.00 C ATOM 294 CE2 PHE A 21 -4.380 5.598 -13.981 1.00 0.00 C ATOM 295 CZ PHE A 21 -5.692 5.949 -14.045 1.00 0.00 C ATOM 0 H PHE A 21 -2.479 3.265 -11.274 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.043 3.097 -10.072 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.623 1.927 -12.513 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.308 1.565 -12.192 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.004 3.323 -12.367 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.955 4.121 -13.271 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.680 5.432 -13.527 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.629 6.230 -14.431 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.983 6.860 -14.547 1.00 0.00 H new ATOM 305 N ILE A 22 -3.113 0.576 -9.636 1.00 0.00 N ATOM 306 CA ILE A 22 -2.985 -0.727 -9.007 1.00 0.00 C ATOM 307 C ILE A 22 -3.154 -0.577 -7.494 1.00 0.00 C ATOM 308 O ILE A 22 -3.520 -1.531 -6.809 1.00 0.00 O ATOM 309 CB ILE A 22 -1.669 -1.392 -9.416 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.534 -1.450 -10.939 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.531 -2.775 -8.775 1.00 0.00 C ATOM 312 CD1 ILE A 22 -0.093 -1.756 -11.351 1.00 0.00 C ATOM 0 H ILE A 22 -2.228 1.028 -9.864 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.774 -1.396 -9.351 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.847 -0.781 -9.043 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.200 -2.215 -11.338 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.845 -0.499 -11.372 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.587 -3.226 -9.082 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.550 -2.677 -7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.357 -3.409 -9.096 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.025 -1.792 -12.438 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.567 -0.976 -10.972 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.207 -2.719 -10.937 1.00 0.00 H new ATOM 324 N ILE A 23 -2.879 0.627 -7.016 1.00 0.00 N ATOM 325 CA ILE A 23 -2.996 0.914 -5.596 1.00 0.00 C ATOM 326 C ILE A 23 -4.444 1.286 -5.273 1.00 0.00 C ATOM 327 O ILE A 23 -4.990 0.849 -4.262 1.00 0.00 O ATOM 328 CB ILE A 23 -1.980 1.979 -5.179 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.558 1.414 -5.187 1.00 0.00 C ATOM 330 CG2 ILE A 23 -2.348 2.588 -3.825 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.485 0.103 -4.402 1.00 0.00 C ATOM 0 H ILE A 23 -2.575 1.416 -7.587 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.755 0.029 -5.007 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.010 2.785 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.236 1.245 -6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.128 2.141 -4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.610 3.342 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.333 3.051 -3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.365 1.805 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.536 -0.277 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.785 0.280 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.154 -0.629 -4.854 1.00 0.00 H new ATOM 343 N HIS A 24 -5.025 2.090 -6.152 1.00 0.00 N ATOM 344 CA HIS A 24 -6.400 2.525 -5.973 1.00 0.00 C ATOM 345 C HIS A 24 -7.270 1.330 -5.580 1.00 0.00 C ATOM 346 O HIS A 24 -8.144 1.449 -4.723 1.00 0.00 O ATOM 347 CB HIS A 24 -6.909 3.244 -7.224 1.00 0.00 C ATOM 348 CG HIS A 24 -7.989 4.263 -6.950 1.00 0.00 C ATOM 349 ND1 HIS A 24 -9.228 3.923 -6.435 1.00 0.00 N ATOM 350 CD2 HIS A 24 -8.003 5.616 -7.124 1.00 0.00 C ATOM 351 CE1 HIS A 24 -9.947 5.029 -6.309 1.00 0.00 C ATOM 352 NE2 HIS A 24 -9.186 6.077 -6.737 1.00 0.00 N ATOM 0 H HIS A 24 -4.569 2.451 -6.990 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.453 3.250 -5.161 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.070 3.741 -7.712 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.292 2.503 -7.926 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -7.189 6.211 -7.511 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.958 5.090 -5.933 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.478 7.054 -6.756 1.00 0.00 H new ATOM 360 N ASN A 25 -7.000 0.205 -6.226 1.00 0.00 N ATOM 361 CA ASN A 25 -7.748 -1.011 -5.955 1.00 0.00 C ATOM 362 C ASN A 25 -7.197 -1.672 -4.689 1.00 0.00 C ATOM 363 O ASN A 25 -7.943 -2.296 -3.936 1.00 0.00 O ATOM 364 CB ASN A 25 -7.612 -2.009 -7.106 1.00 0.00 C ATOM 365 CG ASN A 25 -8.757 -1.849 -8.109 1.00 0.00 C ATOM 366 OD1 ASN A 25 -9.925 -1.824 -7.757 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.358 -1.743 -9.373 1.00 0.00 N ATOM 0 H ASN A 25 -6.274 0.110 -6.936 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.797 -0.742 -5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.658 -1.859 -7.611 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.608 -3.025 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.046 -1.633 -10.118 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.364 -1.772 -9.598 1.00 0.00 H new ATOM 374 N ALA A 26 -5.897 -1.512 -4.495 1.00 0.00 N ATOM 375 CA ALA A 26 -5.238 -2.085 -3.333 1.00 0.00 C ATOM 376 C ALA A 26 -5.867 -1.513 -2.061 1.00 0.00 C ATOM 377 O ALA A 26 -6.021 -2.222 -1.068 1.00 0.00 O ATOM 378 CB ALA A 26 -3.734 -1.812 -3.413 1.00 0.00 C ATOM 0 H ALA A 26 -5.282 -0.994 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.373 -3.166 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.239 -2.241 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.330 -2.264 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.560 -0.736 -3.435 1.00 0.00 H new ATOM 384 N LEU A 27 -6.215 -0.237 -2.133 1.00 0.00 N ATOM 385 CA LEU A 27 -6.825 0.437 -1.000 1.00 0.00 C ATOM 386 C LEU A 27 -8.248 -0.091 -0.803 1.00 0.00 C ATOM 387 O LEU A 27 -8.623 -0.474 0.304 1.00 0.00 O ATOM 388 CB LEU A 27 -6.752 1.955 -1.177 1.00 0.00 C ATOM 389 CG LEU A 27 -5.377 2.523 -1.536 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.378 4.051 -1.462 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.284 1.908 -0.659 1.00 0.00 C ATOM 0 H LEU A 27 -6.086 0.348 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.274 0.219 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.457 2.244 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.087 2.425 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.154 2.251 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.389 4.428 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.113 4.449 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.632 4.366 -0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.317 2.329 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.491 2.129 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.265 0.828 -0.805 1.00 0.00 H new ATOM 403 N SER A 28 -9.000 -0.093 -1.893 1.00 0.00 N ATOM 404 CA SER A 28 -10.373 -0.567 -1.854 1.00 0.00 C ATOM 405 C SER A 28 -10.397 -2.097 -1.813 1.00 0.00 C ATOM 406 O SER A 28 -11.466 -2.703 -1.771 1.00 0.00 O ATOM 407 CB SER A 28 -11.167 -0.056 -3.057 1.00 0.00 C ATOM 408 OG SER A 28 -12.176 0.875 -2.675 1.00 0.00 O ATOM 0 H SER A 28 -8.685 0.226 -2.809 1.00 0.00 H new ATOM 0 HA SER A 28 -10.844 -0.178 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.487 0.417 -3.766 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.628 -0.899 -3.572 1.00 0.00 H new ATOM 0 HG SER A 28 -12.659 1.179 -3.472 1.00 0.00 H new ATOM 414 N HIS A 29 -9.206 -2.676 -1.827 1.00 0.00 N ATOM 415 CA HIS A 29 -9.077 -4.123 -1.793 1.00 0.00 C ATOM 416 C HIS A 29 -9.168 -4.612 -0.346 1.00 0.00 C ATOM 417 O HIS A 29 -9.908 -5.548 -0.049 1.00 0.00 O ATOM 418 CB HIS A 29 -7.790 -4.571 -2.489 1.00 0.00 C ATOM 419 CG HIS A 29 -7.993 -5.045 -3.909 1.00 0.00 C ATOM 420 ND1 HIS A 29 -7.347 -6.153 -4.429 1.00 0.00 N ATOM 421 CD2 HIS A 29 -8.777 -4.551 -4.910 1.00 0.00 C ATOM 422 CE1 HIS A 29 -7.731 -6.309 -5.687 1.00 0.00 C ATOM 423 NE2 HIS A 29 -8.617 -5.315 -5.983 1.00 0.00 N ATOM 0 H HIS A 29 -8.321 -2.170 -1.861 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.898 -4.578 -2.347 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.083 -3.742 -2.491 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.337 -5.375 -1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.419 -3.685 -4.841 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.401 -7.086 -6.360 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.080 -5.181 -6.882 1.00 0.00 H new ATOM 431 N CYS A 30 -8.406 -3.955 0.516 1.00 0.00 N ATOM 432 CA CYS A 30 -8.391 -4.311 1.925 1.00 0.00 C ATOM 433 C CYS A 30 -7.603 -3.241 2.683 1.00 0.00 C ATOM 434 O CYS A 30 -8.008 -2.816 3.764 1.00 0.00 O ATOM 435 CB CYS A 30 -7.815 -5.711 2.149 1.00 0.00 C ATOM 436 SG CYS A 30 -8.864 -6.639 3.327 1.00 0.00 S ATOM 0 H CYS A 30 -7.794 -3.178 0.266 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.412 -4.345 2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.758 -6.246 1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.798 -5.637 2.535 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.367 -7.827 3.508 1.00 0.00 H new ATOM 442 N CYS A 31 -6.492 -2.836 2.086 1.00 0.00 N ATOM 443 CA CYS A 31 -5.644 -1.824 2.691 1.00 0.00 C ATOM 444 C CYS A 31 -6.542 -0.750 3.308 1.00 0.00 C ATOM 445 O CYS A 31 -6.275 -0.268 4.407 1.00 0.00 O ATOM 446 CB CYS A 31 -4.659 -1.232 1.680 1.00 0.00 C ATOM 447 SG CYS A 31 -3.073 -2.143 1.745 1.00 0.00 S ATOM 0 H CYS A 31 -6.160 -3.191 1.189 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.033 -2.278 3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.079 -1.287 0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.491 -0.177 1.898 1.00 0.00 H new ATOM 0 HG CYS A 31 -2.827 -2.670 0.582 1.00 0.00 H new ATOM 453 N LEU A 32 -7.589 -0.406 2.572 1.00 0.00 N ATOM 454 CA LEU A 32 -8.529 0.602 3.033 1.00 0.00 C ATOM 455 C LEU A 32 -9.932 0.251 2.535 1.00 0.00 C ATOM 456 O LEU A 32 -10.582 1.062 1.876 1.00 0.00 O ATOM 457 CB LEU A 32 -8.061 1.999 2.619 1.00 0.00 C ATOM 458 CG LEU A 32 -6.814 2.527 3.331 1.00 0.00 C ATOM 459 CD1 LEU A 32 -6.201 3.701 2.564 1.00 0.00 C ATOM 460 CD2 LEU A 32 -7.125 2.892 4.784 1.00 0.00 C ATOM 0 H LEU A 32 -7.807 -0.807 1.660 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.571 0.614 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.867 1.993 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.878 2.700 2.791 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.070 1.731 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.316 4.058 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.920 3.374 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.930 4.508 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.222 3.264 5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.894 3.664 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.481 2.008 5.313 1.00 0.00 H new ATOM 472 N ALA A 33 -10.358 -0.959 2.868 1.00 0.00 N ATOM 473 CA ALA A 33 -11.672 -1.427 2.462 1.00 0.00 C ATOM 474 C ALA A 33 -12.581 -1.510 3.691 1.00 0.00 C ATOM 475 O ALA A 33 -12.226 -2.137 4.688 1.00 0.00 O ATOM 476 CB ALA A 33 -11.536 -2.772 1.746 1.00 0.00 C ATOM 0 H ALA A 33 -9.816 -1.629 3.414 1.00 0.00 H new ATOM 0 HA ALA A 33 -12.128 -0.729 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.522 -3.123 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.905 -2.653 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.084 -3.499 2.421 1.00 0.00 H new ATOM 482 N GLY A 34 -13.734 -0.868 3.579 1.00 0.00 N ATOM 483 CA GLY A 34 -14.696 -0.861 4.668 1.00 0.00 C ATOM 484 C GLY A 34 -15.345 0.516 4.817 1.00 0.00 C ATOM 485 O GLY A 34 -14.844 1.504 4.282 1.00 0.00 O ATOM 0 H GLY A 34 -14.024 -0.349 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.465 -1.611 4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.199 -1.136 5.599 1.00 0.00 H new ATOM 489 N LYS A 35 -16.451 0.538 5.546 1.00 0.00 N ATOM 490 CA LYS A 35 -17.174 1.778 5.773 1.00 0.00 C ATOM 491 C LYS A 35 -16.401 2.638 6.774 1.00 0.00 C ATOM 492 O LYS A 35 -16.353 3.860 6.641 1.00 0.00 O ATOM 493 CB LYS A 35 -18.616 1.487 6.195 1.00 0.00 C ATOM 494 CG LYS A 35 -19.520 2.691 5.921 1.00 0.00 C ATOM 495 CD LYS A 35 -20.128 2.611 4.519 1.00 0.00 C ATOM 496 CE LYS A 35 -21.315 3.566 4.381 1.00 0.00 C ATOM 497 NZ LYS A 35 -21.829 3.558 2.993 1.00 0.00 N ATOM 0 H LYS A 35 -16.864 -0.283 5.987 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.246 2.352 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.989 0.617 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.645 1.239 7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.316 2.730 6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.946 3.612 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.370 2.857 3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.453 1.590 4.317 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -22.107 3.273 5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.011 4.576 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -22.634 4.212 2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.076 3.860 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -22.138 2.597 2.743 1.00 0.00 H new ATOM 511 N VAL A 36 -15.816 1.967 7.755 1.00 0.00 N ATOM 512 CA VAL A 36 -15.048 2.655 8.778 1.00 0.00 C ATOM 513 C VAL A 36 -13.939 3.474 8.114 1.00 0.00 C ATOM 514 O VAL A 36 -13.580 4.546 8.597 1.00 0.00 O ATOM 515 CB VAL A 36 -14.516 1.647 9.800 1.00 0.00 C ATOM 516 CG1 VAL A 36 -15.664 0.884 10.465 1.00 0.00 C ATOM 517 CG2 VAL A 36 -13.520 0.684 9.152 1.00 0.00 C ATOM 0 H VAL A 36 -15.859 0.954 7.863 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.682 3.351 9.327 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.989 2.202 10.576 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.259 0.174 11.187 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -16.320 1.588 10.977 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -16.231 0.346 9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -13.157 -0.022 9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.012 0.139 8.347 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -12.680 1.248 8.747 1.00 0.00 H new ATOM 527 N ASN A 37 -13.428 2.936 7.016 1.00 0.00 N ATOM 528 CA ASN A 37 -12.367 3.604 6.280 1.00 0.00 C ATOM 529 C ASN A 37 -12.951 4.239 5.017 1.00 0.00 C ATOM 530 O ASN A 37 -12.270 4.343 3.998 1.00 0.00 O ATOM 531 CB ASN A 37 -11.284 2.611 5.853 1.00 0.00 C ATOM 532 CG ASN A 37 -10.368 2.259 7.027 1.00 0.00 C ATOM 533 OD1 ASN A 37 -10.295 2.961 8.022 1.00 0.00 O ATOM 534 ND2 ASN A 37 -9.676 1.137 6.855 1.00 0.00 N ATOM 0 H ASN A 37 -13.728 2.046 6.618 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.927 4.359 6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.749 1.705 5.466 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.694 3.038 5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.036 0.816 7.581 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.785 0.597 5.997 1.00 0.00 H new ATOM 541 N GLU A 38 -14.207 4.648 5.125 1.00 0.00 N ATOM 542 CA GLU A 38 -14.890 5.271 4.004 1.00 0.00 C ATOM 543 C GLU A 38 -14.453 6.731 3.861 1.00 0.00 C ATOM 544 O GLU A 38 -14.245 7.214 2.749 1.00 0.00 O ATOM 545 CB GLU A 38 -16.408 5.166 4.160 1.00 0.00 C ATOM 546 CG GLU A 38 -17.128 5.859 3.001 1.00 0.00 C ATOM 547 CD GLU A 38 -18.473 6.430 3.454 1.00 0.00 C ATOM 548 OE1 GLU A 38 -19.429 5.629 3.540 1.00 0.00 O ATOM 549 OE2 GLU A 38 -18.515 7.654 3.703 1.00 0.00 O ATOM 0 H GLU A 38 -14.769 4.560 5.972 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.614 4.739 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.701 4.117 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.712 5.618 5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.503 6.660 2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -17.285 5.149 2.189 1.00 0.00 H new ATOM 556 N PRO A 39 -14.323 7.409 5.032 1.00 0.00 N ATOM 557 CA PRO A 39 -13.914 8.804 5.048 1.00 0.00 C ATOM 558 C PRO A 39 -12.417 8.940 4.762 1.00 0.00 C ATOM 559 O PRO A 39 -11.998 9.847 4.045 1.00 0.00 O ATOM 560 CB PRO A 39 -14.305 9.313 6.425 1.00 0.00 C ATOM 561 CG PRO A 39 -14.491 8.076 7.289 1.00 0.00 C ATOM 562 CD PRO A 39 -14.560 6.869 6.367 1.00 0.00 C ATOM 0 HA PRO A 39 -14.398 9.393 4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.532 9.963 6.835 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.223 9.899 6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.664 7.973 7.991 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.403 8.157 7.880 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.809 6.125 6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.531 6.378 6.429 1.00 0.00 H new ATOM 570 N GLN A 40 -11.652 8.025 5.339 1.00 0.00 N ATOM 571 CA GLN A 40 -10.211 8.031 5.156 1.00 0.00 C ATOM 572 C GLN A 40 -9.857 7.647 3.717 1.00 0.00 C ATOM 573 O GLN A 40 -9.182 8.401 3.018 1.00 0.00 O ATOM 574 CB GLN A 40 -9.526 7.098 6.157 1.00 0.00 C ATOM 575 CG GLN A 40 -8.250 6.499 5.563 1.00 0.00 C ATOM 576 CD GLN A 40 -7.220 6.210 6.658 1.00 0.00 C ATOM 577 OE1 GLN A 40 -7.549 5.943 7.801 1.00 0.00 O ATOM 578 NE2 GLN A 40 -5.958 6.279 6.244 1.00 0.00 N ATOM 0 H GLN A 40 -12.003 7.274 5.934 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.845 9.041 5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.285 7.648 7.066 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.210 6.298 6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.489 5.578 5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.826 7.188 4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.752 6.508 5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.196 6.103 6.899 1.00 0.00 H new ATOM 587 N LYS A 41 -10.327 6.474 3.319 1.00 0.00 N ATOM 588 CA LYS A 41 -10.069 5.981 1.977 1.00 0.00 C ATOM 589 C LYS A 41 -10.081 7.155 0.996 1.00 0.00 C ATOM 590 O LYS A 41 -9.073 7.441 0.352 1.00 0.00 O ATOM 591 CB LYS A 41 -11.055 4.868 1.616 1.00 0.00 C ATOM 592 CG LYS A 41 -11.081 4.627 0.106 1.00 0.00 C ATOM 593 CD LYS A 41 -12.120 3.566 -0.263 1.00 0.00 C ATOM 594 CE LYS A 41 -13.536 4.051 0.057 1.00 0.00 C ATOM 595 NZ LYS A 41 -14.534 3.034 -0.342 1.00 0.00 N ATOM 0 H LYS A 41 -10.885 5.851 3.902 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.079 5.528 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.775 3.948 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.053 5.135 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.309 5.559 -0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.095 4.308 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.044 3.331 -1.325 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.915 2.645 0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.624 4.257 1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.733 4.987 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.489 3.379 -0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.460 2.858 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.355 2.150 0.176 1.00 0.00 H new ATOM 609 N ASN A 42 -11.234 7.803 0.912 1.00 0.00 N ATOM 610 CA ASN A 42 -11.390 8.939 0.020 1.00 0.00 C ATOM 611 C ASN A 42 -10.237 9.919 0.242 1.00 0.00 C ATOM 612 O ASN A 42 -9.610 10.373 -0.714 1.00 0.00 O ATOM 613 CB ASN A 42 -12.700 9.681 0.297 1.00 0.00 C ATOM 614 CG ASN A 42 -13.886 8.955 -0.341 1.00 0.00 C ATOM 615 OD1 ASN A 42 -14.106 9.006 -1.540 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.636 8.279 0.525 1.00 0.00 N ATOM 0 H ASN A 42 -12.069 7.563 1.447 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.396 8.565 -1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.855 9.763 1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.637 10.696 -0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.452 7.761 0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.395 8.278 1.516 1.00 0.00 H new ATOM 623 N ARG A 43 -9.991 10.217 1.510 1.00 0.00 N ATOM 624 CA ARG A 43 -8.923 11.135 1.869 1.00 0.00 C ATOM 625 C ARG A 43 -7.585 10.634 1.323 1.00 0.00 C ATOM 626 O ARG A 43 -6.640 11.407 1.179 1.00 0.00 O ATOM 627 CB ARG A 43 -8.820 11.292 3.388 1.00 0.00 C ATOM 628 CG ARG A 43 -9.948 12.174 3.926 1.00 0.00 C ATOM 629 CD ARG A 43 -9.417 13.546 4.348 1.00 0.00 C ATOM 630 NE ARG A 43 -10.456 14.280 5.104 1.00 0.00 N ATOM 631 CZ ARG A 43 -10.673 14.135 6.419 1.00 0.00 C ATOM 632 NH1 ARG A 43 -9.924 13.281 7.131 1.00 0.00 N ATOM 633 NH2 ARG A 43 -11.638 14.843 7.021 1.00 0.00 N ATOM 0 H ARG A 43 -10.513 9.839 2.301 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.158 12.104 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.863 10.311 3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.856 11.730 3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.715 12.296 3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.422 11.686 4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.525 13.426 4.962 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.124 14.118 3.468 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.044 14.938 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.190 12.742 6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.089 13.170 8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.208 15.492 6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.803 14.733 8.021 1.00 0.00 H new ATOM 647 N ILE A 44 -7.548 9.341 1.033 1.00 0.00 N ATOM 648 CA ILE A 44 -6.341 8.727 0.505 1.00 0.00 C ATOM 649 C ILE A 44 -6.328 8.866 -1.019 1.00 0.00 C ATOM 650 O ILE A 44 -5.309 9.231 -1.603 1.00 0.00 O ATOM 651 CB ILE A 44 -6.219 7.282 0.992 1.00 0.00 C ATOM 652 CG1 ILE A 44 -6.382 7.199 2.511 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.905 6.654 0.521 1.00 0.00 C ATOM 654 CD1 ILE A 44 -5.714 8.391 3.200 1.00 0.00 C ATOM 0 H ILE A 44 -8.334 8.702 1.154 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.456 9.241 0.880 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.030 6.703 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.441 7.174 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.944 6.270 2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.843 5.627 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.869 6.660 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.066 7.227 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.845 8.308 4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.650 8.399 2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.171 9.317 2.850 1.00 0.00 H new ATOM 666 N LEU A 45 -7.471 8.568 -1.618 1.00 0.00 N ATOM 667 CA LEU A 45 -7.604 8.655 -3.062 1.00 0.00 C ATOM 668 C LEU A 45 -7.216 10.062 -3.522 1.00 0.00 C ATOM 669 O LEU A 45 -6.431 10.219 -4.456 1.00 0.00 O ATOM 670 CB LEU A 45 -9.008 8.232 -3.498 1.00 0.00 C ATOM 671 CG LEU A 45 -9.317 6.736 -3.404 1.00 0.00 C ATOM 672 CD1 LEU A 45 -8.212 5.906 -4.060 1.00 0.00 C ATOM 673 CD2 LEU A 45 -9.564 6.318 -1.953 1.00 0.00 C ATOM 0 H LEU A 45 -8.314 8.266 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.921 7.959 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.734 8.772 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.158 8.550 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.236 6.541 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.456 4.847 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.127 6.180 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.265 6.099 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.781 5.251 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.676 6.530 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.411 6.876 -1.553 1.00 0.00 H new ATOM 685 N GLU A 46 -7.783 11.049 -2.844 1.00 0.00 N ATOM 686 CA GLU A 46 -7.506 12.437 -3.171 1.00 0.00 C ATOM 687 C GLU A 46 -6.004 12.715 -3.080 1.00 0.00 C ATOM 688 O GLU A 46 -5.444 13.404 -3.931 1.00 0.00 O ATOM 689 CB GLU A 46 -8.294 13.382 -2.262 1.00 0.00 C ATOM 690 CG GLU A 46 -7.623 13.515 -0.894 1.00 0.00 C ATOM 691 CD GLU A 46 -8.333 14.562 -0.033 1.00 0.00 C ATOM 692 OE1 GLU A 46 -8.460 15.706 -0.521 1.00 0.00 O ATOM 693 OE2 GLU A 46 -8.732 14.194 1.093 1.00 0.00 O ATOM 0 H GLU A 46 -8.433 10.915 -2.070 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.828 12.619 -4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.370 14.363 -2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.310 13.009 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.635 12.552 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.577 13.794 -1.024 1.00 0.00 H new ATOM 700 N GLU A 47 -5.395 12.164 -2.040 1.00 0.00 N ATOM 701 CA GLU A 47 -3.969 12.343 -1.826 1.00 0.00 C ATOM 702 C GLU A 47 -3.185 11.864 -3.049 1.00 0.00 C ATOM 703 O GLU A 47 -2.300 12.565 -3.538 1.00 0.00 O ATOM 704 CB GLU A 47 -3.509 11.618 -0.560 1.00 0.00 C ATOM 705 CG GLU A 47 -3.772 12.467 0.685 1.00 0.00 C ATOM 706 CD GLU A 47 -2.663 13.501 0.888 1.00 0.00 C ATOM 707 OE1 GLU A 47 -1.495 13.139 0.629 1.00 0.00 O ATOM 708 OE2 GLU A 47 -3.008 14.630 1.299 1.00 0.00 O ATOM 0 H GLU A 47 -5.863 11.593 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.773 13.406 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.032 10.666 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.445 11.392 -0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.733 12.973 0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.838 11.823 1.562 1.00 0.00 H new ATOM 715 N ILE A 48 -3.538 10.672 -3.509 1.00 0.00 N ATOM 716 CA ILE A 48 -2.878 10.091 -4.665 1.00 0.00 C ATOM 717 C ILE A 48 -3.065 11.013 -5.871 1.00 0.00 C ATOM 718 O ILE A 48 -2.145 11.192 -6.669 1.00 0.00 O ATOM 719 CB ILE A 48 -3.372 8.662 -4.902 1.00 0.00 C ATOM 720 CG1 ILE A 48 -3.093 7.777 -3.685 1.00 0.00 C ATOM 721 CG2 ILE A 48 -2.772 8.080 -6.183 1.00 0.00 C ATOM 722 CD1 ILE A 48 -4.140 6.668 -3.562 1.00 0.00 C ATOM 0 H ILE A 48 -4.273 10.093 -3.102 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.805 10.009 -4.489 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.453 8.692 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.100 7.336 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.094 8.385 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.139 7.064 -6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.063 8.696 -7.034 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.685 8.065 -6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.918 6.054 -2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.129 7.112 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.119 6.047 -4.458 1.00 0.00 H new ATOM 734 N GLU A 49 -4.261 11.576 -5.966 1.00 0.00 N ATOM 735 CA GLU A 49 -4.580 12.475 -7.061 1.00 0.00 C ATOM 736 C GLU A 49 -3.867 13.816 -6.871 1.00 0.00 C ATOM 737 O GLU A 49 -3.354 14.391 -7.830 1.00 0.00 O ATOM 738 CB GLU A 49 -6.092 12.671 -7.188 1.00 0.00 C ATOM 739 CG GLU A 49 -6.762 11.415 -7.749 1.00 0.00 C ATOM 740 CD GLU A 49 -6.876 11.489 -9.273 1.00 0.00 C ATOM 741 OE1 GLU A 49 -5.878 11.132 -9.935 1.00 0.00 O ATOM 742 OE2 GLU A 49 -7.959 11.902 -9.741 1.00 0.00 O ATOM 0 H GLU A 49 -5.021 11.426 -5.302 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.227 12.025 -7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.515 12.908 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.299 13.520 -7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.186 10.534 -7.466 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.754 11.301 -7.312 1.00 0.00 H new ATOM 749 N LYS A 50 -3.859 14.275 -5.628 1.00 0.00 N ATOM 750 CA LYS A 50 -3.218 15.537 -5.301 1.00 0.00 C ATOM 751 C LYS A 50 -1.705 15.395 -5.472 1.00 0.00 C ATOM 752 O LYS A 50 -1.000 16.389 -5.640 1.00 0.00 O ATOM 753 CB LYS A 50 -3.638 16.004 -3.906 1.00 0.00 C ATOM 754 CG LYS A 50 -2.500 15.818 -2.900 1.00 0.00 C ATOM 755 CD LYS A 50 -2.965 16.145 -1.479 1.00 0.00 C ATOM 756 CE LYS A 50 -3.838 17.402 -1.463 1.00 0.00 C ATOM 757 NZ LYS A 50 -3.733 18.089 -0.157 1.00 0.00 N ATOM 0 H LYS A 50 -4.286 13.795 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.544 16.319 -5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.928 17.054 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.513 15.442 -3.579 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.138 14.791 -2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.663 16.462 -3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.526 15.303 -1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.099 16.291 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.529 18.077 -2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.876 17.133 -1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.331 18.940 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.050 17.448 0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.744 18.363 0.013 1.00 0.00 H new ATOM 771 N SER A 51 -1.250 14.152 -5.425 1.00 0.00 N ATOM 772 CA SER A 51 0.167 13.867 -5.573 1.00 0.00 C ATOM 773 C SER A 51 0.579 14.010 -7.040 1.00 0.00 C ATOM 774 O SER A 51 -0.156 13.602 -7.938 1.00 0.00 O ATOM 775 CB SER A 51 0.504 12.465 -5.062 1.00 0.00 C ATOM 776 OG SER A 51 1.793 12.035 -5.492 1.00 0.00 O ATOM 0 H SER A 51 -1.838 13.330 -5.286 1.00 0.00 H new ATOM 0 HA SER A 51 0.724 14.586 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.464 12.457 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.249 11.760 -5.414 1.00 0.00 H new ATOM 0 HG SER A 51 1.738 11.114 -5.821 1.00 0.00 H new ATOM 782 N LYS A 52 1.753 14.591 -7.238 1.00 0.00 N ATOM 783 CA LYS A 52 2.272 14.793 -8.580 1.00 0.00 C ATOM 784 C LYS A 52 3.188 13.625 -8.949 1.00 0.00 C ATOM 785 O LYS A 52 4.066 13.765 -9.800 1.00 0.00 O ATOM 786 CB LYS A 52 2.945 16.163 -8.694 1.00 0.00 C ATOM 787 CG LYS A 52 1.922 17.249 -9.034 1.00 0.00 C ATOM 788 CD LYS A 52 1.302 17.007 -10.411 1.00 0.00 C ATOM 789 CE LYS A 52 -0.224 16.951 -10.323 1.00 0.00 C ATOM 790 NZ LYS A 52 -0.819 18.210 -10.825 1.00 0.00 N ATOM 0 H LYS A 52 2.360 14.929 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 52 1.459 14.802 -9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.442 16.407 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.716 16.131 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.139 17.265 -8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.404 18.226 -9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.601 17.802 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.680 16.072 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.597 16.108 -10.905 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.529 16.785 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.855 18.155 -10.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.477 19.008 -10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.543 18.353 -11.818 1.00 0.00 H new ATOM 804 N ALA A 53 2.953 12.499 -8.291 1.00 0.00 N ATOM 805 CA ALA A 53 3.747 11.308 -8.540 1.00 0.00 C ATOM 806 C ALA A 53 2.829 10.178 -9.011 1.00 0.00 C ATOM 807 O ALA A 53 1.622 10.216 -8.778 1.00 0.00 O ATOM 808 CB ALA A 53 4.523 10.938 -7.274 1.00 0.00 C ATOM 0 H ALA A 53 2.224 12.387 -7.586 1.00 0.00 H new ATOM 0 HA ALA A 53 4.477 11.491 -9.329 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.119 10.044 -7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.181 11.762 -6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.823 10.744 -6.462 1.00 0.00 H new ATOM 814 N ASN A 54 3.436 9.200 -9.666 1.00 0.00 N ATOM 815 CA ASN A 54 2.689 8.061 -10.172 1.00 0.00 C ATOM 816 C ASN A 54 3.007 6.829 -9.323 1.00 0.00 C ATOM 817 O ASN A 54 2.196 5.909 -9.230 1.00 0.00 O ATOM 818 CB ASN A 54 3.073 7.750 -11.620 1.00 0.00 C ATOM 819 CG ASN A 54 2.744 8.928 -12.540 1.00 0.00 C ATOM 820 OD1 ASN A 54 1.636 9.437 -12.567 1.00 0.00 O ATOM 821 ND2 ASN A 54 3.766 9.330 -13.290 1.00 0.00 N ATOM 0 H ASN A 54 4.437 9.173 -9.858 1.00 0.00 H new ATOM 0 HA ASN A 54 1.628 8.306 -10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.138 7.526 -11.677 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.541 6.861 -11.958 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.648 10.109 -13.937 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.668 8.859 -13.218 1.00 0.00 H new ATOM 828 N HIS A 55 4.190 6.851 -8.726 1.00 0.00 N ATOM 829 CA HIS A 55 4.626 5.747 -7.888 1.00 0.00 C ATOM 830 C HIS A 55 4.068 5.924 -6.475 1.00 0.00 C ATOM 831 O HIS A 55 4.207 6.991 -5.878 1.00 0.00 O ATOM 832 CB HIS A 55 6.150 5.615 -7.912 1.00 0.00 C ATOM 833 CG HIS A 55 6.649 4.209 -7.677 1.00 0.00 C ATOM 834 ND1 HIS A 55 7.962 3.833 -7.898 1.00 0.00 N ATOM 835 CD2 HIS A 55 5.998 3.095 -7.236 1.00 0.00 C ATOM 836 CE1 HIS A 55 8.084 2.547 -7.603 1.00 0.00 C ATOM 837 NE2 HIS A 55 6.866 2.091 -7.193 1.00 0.00 N ATOM 0 H HIS A 55 4.860 7.616 -8.806 1.00 0.00 H new ATOM 0 HA HIS A 55 4.233 4.810 -8.282 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.519 5.964 -8.876 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.573 6.272 -7.152 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.953 3.039 -6.967 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.989 1.962 -7.675 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.656 1.136 -6.901 1.00 0.00 H new ATOM 845 N PHE A 56 3.448 4.863 -5.980 1.00 0.00 N ATOM 846 CA PHE A 56 2.868 4.888 -4.648 1.00 0.00 C ATOM 847 C PHE A 56 3.063 3.545 -3.940 1.00 0.00 C ATOM 848 O PHE A 56 2.865 2.489 -4.539 1.00 0.00 O ATOM 849 CB PHE A 56 1.371 5.150 -4.817 1.00 0.00 C ATOM 850 CG PHE A 56 1.043 6.499 -5.458 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.930 7.611 -4.683 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.865 6.588 -6.804 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.626 8.864 -5.278 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.562 7.840 -7.399 1.00 0.00 C ATOM 855 CZ PHE A 56 0.448 8.952 -6.624 1.00 0.00 C ATOM 0 H PHE A 56 3.335 3.980 -6.478 1.00 0.00 H new ATOM 0 HA PHE A 56 3.350 5.659 -4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.940 4.356 -5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.891 5.098 -3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.072 7.541 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.954 5.705 -7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.536 9.747 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.422 7.910 -8.468 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.216 9.905 -7.077 1.00 0.00 H new ATOM 865 N LEU A 57 3.448 3.630 -2.675 1.00 0.00 N ATOM 866 CA LEU A 57 3.671 2.435 -1.879 1.00 0.00 C ATOM 867 C LEU A 57 2.773 2.476 -0.641 1.00 0.00 C ATOM 868 O LEU A 57 2.321 3.545 -0.234 1.00 0.00 O ATOM 869 CB LEU A 57 5.158 2.277 -1.555 1.00 0.00 C ATOM 870 CG LEU A 57 6.031 1.700 -2.672 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.363 2.769 -3.715 1.00 0.00 C ATOM 872 CD2 LEU A 57 7.290 1.045 -2.101 1.00 0.00 C ATOM 0 H LEU A 57 3.611 4.508 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 57 3.395 1.545 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.555 3.254 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.252 1.635 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 57 5.465 0.919 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.984 2.333 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.440 3.149 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.902 3.588 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.893 0.643 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.870 1.788 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.006 0.237 -1.427 1.00 0.00 H new ATOM 884 N ILE A 58 2.541 1.300 -0.078 1.00 0.00 N ATOM 885 CA ILE A 58 1.705 1.188 1.105 1.00 0.00 C ATOM 886 C ILE A 58 2.584 0.878 2.318 1.00 0.00 C ATOM 887 O ILE A 58 3.462 0.019 2.249 1.00 0.00 O ATOM 888 CB ILE A 58 0.588 0.168 0.877 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.379 0.646 -0.208 1.00 0.00 C ATOM 890 CG2 ILE A 58 -0.135 -0.155 2.187 1.00 0.00 C ATOM 891 CD1 ILE A 58 -0.837 -0.520 -1.086 1.00 0.00 C ATOM 0 H ILE A 58 2.918 0.416 -0.419 1.00 0.00 H new ATOM 0 HA ILE A 58 1.204 2.134 1.308 1.00 0.00 H new ATOM 0 HB ILE A 58 1.039 -0.758 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.245 1.120 0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.106 1.402 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.924 -0.882 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.576 -0.569 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.572 0.756 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.524 -0.153 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.029 -0.976 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.343 -1.263 -0.469 1.00 0.00 H new ATOM 903 N LEU A 59 2.318 1.594 3.401 1.00 0.00 N ATOM 904 CA LEU A 59 3.074 1.405 4.627 1.00 0.00 C ATOM 905 C LEU A 59 2.296 0.477 5.562 1.00 0.00 C ATOM 906 O LEU A 59 1.147 0.752 5.901 1.00 0.00 O ATOM 907 CB LEU A 59 3.424 2.756 5.253 1.00 0.00 C ATOM 908 CG LEU A 59 4.379 2.714 6.448 1.00 0.00 C ATOM 909 CD1 LEU A 59 5.795 2.338 6.006 1.00 0.00 C ATOM 910 CD2 LEU A 59 4.351 4.035 7.219 1.00 0.00 C ATOM 0 H LEU A 59 1.589 2.306 3.455 1.00 0.00 H new ATOM 0 HA LEU A 59 4.027 0.920 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.866 3.388 4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.499 3.238 5.569 1.00 0.00 H new ATOM 0 HG LEU A 59 4.038 1.936 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.453 2.315 6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.780 1.355 5.536 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.161 3.076 5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.038 3.978 8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.653 4.848 6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.341 4.221 7.585 1.00 0.00 H new ATOM 922 N PHE A 60 2.956 -0.604 5.953 1.00 0.00 N ATOM 923 CA PHE A 60 2.341 -1.574 6.843 1.00 0.00 C ATOM 924 C PHE A 60 2.901 -1.450 8.261 1.00 0.00 C ATOM 925 O PHE A 60 3.777 -0.625 8.517 1.00 0.00 O ATOM 926 CB PHE A 60 2.679 -2.962 6.294 1.00 0.00 C ATOM 927 CG PHE A 60 1.781 -3.409 5.138 1.00 0.00 C ATOM 928 CD1 PHE A 60 0.459 -3.645 5.356 1.00 0.00 C ATOM 929 CD2 PHE A 60 2.304 -3.571 3.894 1.00 0.00 C ATOM 930 CE1 PHE A 60 -0.374 -4.060 4.284 1.00 0.00 C ATOM 931 CE2 PHE A 60 1.471 -3.986 2.821 1.00 0.00 C ATOM 932 CZ PHE A 60 0.149 -4.222 3.039 1.00 0.00 C ATOM 0 H PHE A 60 3.910 -0.829 5.670 1.00 0.00 H new ATOM 0 HA PHE A 60 1.265 -1.405 6.890 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.716 -2.966 5.958 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.603 -3.690 7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.043 -3.517 6.344 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.354 -3.384 3.721 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.423 -4.247 4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.887 -4.114 1.833 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.485 -4.538 2.224 1.00 0.00 H new ATOM 942 N ARG A 61 2.373 -2.282 9.147 1.00 0.00 N ATOM 943 CA ARG A 61 2.810 -2.276 10.533 1.00 0.00 C ATOM 944 C ARG A 61 4.021 -3.193 10.712 1.00 0.00 C ATOM 945 O ARG A 61 4.870 -2.947 11.567 1.00 0.00 O ATOM 946 CB ARG A 61 1.688 -2.736 11.466 1.00 0.00 C ATOM 947 CG ARG A 61 0.822 -1.554 11.906 1.00 0.00 C ATOM 948 CD ARG A 61 1.093 -1.189 13.367 1.00 0.00 C ATOM 949 NE ARG A 61 0.136 -1.891 14.250 1.00 0.00 N ATOM 950 CZ ARG A 61 -0.032 -1.610 15.550 1.00 0.00 C ATOM 951 NH1 ARG A 61 0.693 -0.640 16.125 1.00 0.00 N ATOM 952 NH2 ARG A 61 -0.924 -2.299 16.275 1.00 0.00 N ATOM 0 H ARG A 61 1.646 -2.965 8.932 1.00 0.00 H new ATOM 0 HA ARG A 61 3.084 -1.253 10.790 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.069 -3.476 10.959 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.116 -3.224 12.342 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.025 -0.693 11.269 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.231 -1.803 11.779 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.114 -1.461 13.635 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.003 -0.111 13.504 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.431 -2.635 13.844 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.372 -0.116 15.573 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.565 -0.426 17.114 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.475 -3.037 15.838 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.052 -2.085 17.264 1.00 0.00 H new ATOM 966 N ASP A 62 4.063 -4.233 9.891 1.00 0.00 N ATOM 967 CA ASP A 62 5.156 -5.188 9.948 1.00 0.00 C ATOM 968 C ASP A 62 5.274 -5.902 8.600 1.00 0.00 C ATOM 969 O ASP A 62 6.364 -6.000 8.039 1.00 0.00 O ATOM 970 CB ASP A 62 4.907 -6.247 11.024 1.00 0.00 C ATOM 971 CG ASP A 62 5.660 -6.025 12.337 1.00 0.00 C ATOM 972 OD1 ASP A 62 5.903 -4.842 12.659 1.00 0.00 O ATOM 973 OD2 ASP A 62 5.976 -7.043 12.989 1.00 0.00 O ATOM 0 H ASP A 62 3.357 -4.435 9.183 1.00 0.00 H new ATOM 0 HA ASP A 62 6.069 -4.642 10.185 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.839 -6.282 11.237 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.185 -7.222 10.624 1.00 0.00 H new ATOM 978 N SER A 63 4.137 -6.383 8.120 1.00 0.00 N ATOM 979 CA SER A 63 4.099 -7.086 6.848 1.00 0.00 C ATOM 980 C SER A 63 2.653 -7.421 6.478 1.00 0.00 C ATOM 981 O SER A 63 2.016 -6.687 5.724 1.00 0.00 O ATOM 982 CB SER A 63 4.943 -8.361 6.898 1.00 0.00 C ATOM 983 OG SER A 63 6.337 -8.084 6.787 1.00 0.00 O ATOM 0 H SER A 63 3.235 -6.300 8.589 1.00 0.00 H new ATOM 0 HA SER A 63 4.521 -6.433 6.084 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.751 -8.886 7.834 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.641 -9.028 6.091 1.00 0.00 H new ATOM 0 HG SER A 63 6.484 -7.117 6.843 1.00 0.00 H new ATOM 989 N SER A 64 2.177 -8.529 7.026 1.00 0.00 N ATOM 990 CA SER A 64 0.818 -8.970 6.763 1.00 0.00 C ATOM 991 C SER A 64 -0.151 -8.286 7.730 1.00 0.00 C ATOM 992 O SER A 64 -0.824 -8.953 8.514 1.00 0.00 O ATOM 993 CB SER A 64 0.700 -10.491 6.880 1.00 0.00 C ATOM 994 OG SER A 64 0.671 -10.921 8.238 1.00 0.00 O ATOM 0 H SER A 64 2.708 -9.135 7.651 1.00 0.00 H new ATOM 0 HA SER A 64 0.559 -8.690 5.742 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.207 -10.824 6.375 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.541 -10.960 6.369 1.00 0.00 H new ATOM 0 HG SER A 64 -0.146 -10.593 8.668 1.00 0.00 H new ATOM 1000 N CYS A 65 -0.190 -6.965 7.642 1.00 0.00 N ATOM 1001 CA CYS A 65 -1.065 -6.184 8.500 1.00 0.00 C ATOM 1002 C CYS A 65 -2.049 -5.419 7.613 1.00 0.00 C ATOM 1003 O CYS A 65 -2.616 -5.983 6.679 1.00 0.00 O ATOM 1004 CB CYS A 65 -0.272 -5.246 9.413 1.00 0.00 C ATOM 1005 SG CYS A 65 -1.271 -4.812 10.883 1.00 0.00 S ATOM 0 H CYS A 65 0.370 -6.416 6.990 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.617 -6.850 9.164 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.657 -5.726 9.723 1.00 0.00 H new ATOM 0 HB3 CYS A 65 0.002 -4.342 8.869 1.00 0.00 H new ATOM 0 HG CYS A 65 -0.482 -4.492 11.865 1.00 0.00 H new ATOM 1011 N GLN A 66 -2.222 -4.145 7.936 1.00 0.00 N ATOM 1012 CA GLN A 66 -3.128 -3.297 7.181 1.00 0.00 C ATOM 1013 C GLN A 66 -2.488 -1.931 6.926 1.00 0.00 C ATOM 1014 O GLN A 66 -1.749 -1.421 7.767 1.00 0.00 O ATOM 1015 CB GLN A 66 -4.469 -3.149 7.901 1.00 0.00 C ATOM 1016 CG GLN A 66 -5.294 -4.434 7.794 1.00 0.00 C ATOM 1017 CD GLN A 66 -6.791 -4.122 7.751 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -7.287 -3.457 6.857 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -7.481 -4.639 8.764 1.00 0.00 N ATOM 0 H GLN A 66 -1.749 -3.680 8.711 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.321 -3.771 6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.298 -2.909 8.950 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.027 -2.317 7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.007 -4.981 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.078 -5.081 8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.003 -5.187 9.480 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.488 -4.488 8.825 1.00 0.00 H new ATOM 1028 N PHE A 67 -2.795 -1.376 5.763 1.00 0.00 N ATOM 1029 CA PHE A 67 -2.259 -0.079 5.388 1.00 0.00 C ATOM 1030 C PHE A 67 -2.178 0.852 6.599 1.00 0.00 C ATOM 1031 O PHE A 67 -3.096 0.894 7.417 1.00 0.00 O ATOM 1032 CB PHE A 67 -3.221 0.522 4.361 1.00 0.00 C ATOM 1033 CG PHE A 67 -2.916 1.977 3.999 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.211 2.973 4.877 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.349 2.275 2.799 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -2.927 4.323 4.542 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -2.065 3.625 2.464 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.360 4.621 3.342 1.00 0.00 C ATOM 0 H PHE A 67 -3.408 -1.801 5.068 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.253 -0.195 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.191 -0.081 3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.237 0.461 4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.662 2.737 5.830 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.115 1.485 2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.161 5.113 5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.614 3.861 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.144 5.648 3.087 1.00 0.00 H new ATOM 1048 N ARG A 68 -1.071 1.576 6.676 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.858 2.504 7.774 1.00 0.00 C ATOM 1050 C ARG A 68 -0.790 3.940 7.250 1.00 0.00 C ATOM 1051 O ARG A 68 -1.285 4.863 7.894 1.00 0.00 O ATOM 1052 CB ARG A 68 0.435 2.181 8.525 1.00 0.00 C ATOM 1053 CG ARG A 68 0.233 1.007 9.485 1.00 0.00 C ATOM 1054 CD ARG A 68 -0.167 1.501 10.878 1.00 0.00 C ATOM 1055 NE ARG A 68 1.035 1.640 11.730 1.00 0.00 N ATOM 1056 CZ ARG A 68 1.090 2.397 12.834 1.00 0.00 C ATOM 1057 NH1 ARG A 68 0.011 3.088 13.226 1.00 0.00 N ATOM 1058 NH2 ARG A 68 2.223 2.464 13.545 1.00 0.00 N ATOM 0 H ARG A 68 -0.312 1.539 5.996 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.699 2.404 8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.224 1.941 7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.765 3.058 9.082 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.538 0.342 9.095 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.152 0.425 9.552 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.680 2.459 10.800 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.867 0.801 11.334 1.00 0.00 H new ATOM 0 HE ARG A 68 1.874 1.127 11.460 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.852 3.037 12.684 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.052 3.665 14.066 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.045 1.939 13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.264 3.041 14.385 1.00 0.00 H new ATOM 1072 N ALA A 69 -0.174 4.082 6.085 1.00 0.00 N ATOM 1073 CA ALA A 69 -0.036 5.390 5.467 1.00 0.00 C ATOM 1074 C ALA A 69 0.448 5.219 4.026 1.00 0.00 C ATOM 1075 O ALA A 69 1.117 4.239 3.704 1.00 0.00 O ATOM 1076 CB ALA A 69 0.913 6.251 6.303 1.00 0.00 C ATOM 0 H ALA A 69 0.235 3.313 5.553 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.997 5.903 5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.017 7.232 5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.510 6.365 7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.889 5.770 6.356 1.00 0.00 H new ATOM 1082 N LEU A 70 0.091 6.189 3.197 1.00 0.00 N ATOM 1083 CA LEU A 70 0.480 6.158 1.797 1.00 0.00 C ATOM 1084 C LEU A 70 1.771 6.960 1.614 1.00 0.00 C ATOM 1085 O LEU A 70 2.073 7.847 2.410 1.00 0.00 O ATOM 1086 CB LEU A 70 -0.671 6.636 0.910 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.449 6.517 -0.599 1.00 0.00 C ATOM 1088 CD1 LEU A 70 -0.131 5.074 -0.994 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -1.645 7.073 -1.375 1.00 0.00 C ATOM 0 H LEU A 70 -0.463 7.001 3.468 1.00 0.00 H new ATOM 0 HA LEU A 70 0.691 5.136 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.565 6.069 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.876 7.680 1.146 1.00 0.00 H new ATOM 0 HG LEU A 70 0.417 7.122 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.022 5.017 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.774 4.747 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.962 4.428 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.461 6.976 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.543 6.515 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.784 8.125 -1.124 1.00 0.00 H new ATOM 1101 N TYR A 71 2.496 6.618 0.559 1.00 0.00 N ATOM 1102 CA TYR A 71 3.747 7.295 0.261 1.00 0.00 C ATOM 1103 C TYR A 71 4.058 7.237 -1.236 1.00 0.00 C ATOM 1104 O TYR A 71 3.636 6.311 -1.926 1.00 0.00 O ATOM 1105 CB TYR A 71 4.832 6.532 1.025 1.00 0.00 C ATOM 1106 CG TYR A 71 4.886 6.857 2.519 1.00 0.00 C ATOM 1107 CD1 TYR A 71 3.998 6.255 3.388 1.00 0.00 C ATOM 1108 CD2 TYR A 71 5.822 7.751 2.997 1.00 0.00 C ATOM 1109 CE1 TYR A 71 4.049 6.561 4.795 1.00 0.00 C ATOM 1110 CE2 TYR A 71 5.873 8.056 4.404 1.00 0.00 C ATOM 1111 CZ TYR A 71 4.984 7.446 5.233 1.00 0.00 C ATOM 1112 OH TYR A 71 5.032 7.735 6.561 1.00 0.00 O ATOM 0 H TYR A 71 2.241 5.882 -0.099 1.00 0.00 H new ATOM 0 HA TYR A 71 3.693 8.345 0.548 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.664 5.462 0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.801 6.756 0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.266 5.555 3.013 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.516 8.222 2.317 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.360 6.098 5.486 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.601 8.753 4.792 1.00 0.00 H new ATOM 0 HH TYR A 71 4.208 7.427 6.993 1.00 0.00 H new ATOM 1122 N THR A 72 4.794 8.240 -1.694 1.00 0.00 N ATOM 1123 CA THR A 72 5.167 8.315 -3.096 1.00 0.00 C ATOM 1124 C THR A 72 6.678 8.134 -3.257 1.00 0.00 C ATOM 1125 O THR A 72 7.461 8.782 -2.565 1.00 0.00 O ATOM 1126 CB THR A 72 4.651 9.644 -3.651 1.00 0.00 C ATOM 1127 OG1 THR A 72 4.846 10.566 -2.582 1.00 0.00 O ATOM 1128 CG2 THR A 72 3.137 9.640 -3.869 1.00 0.00 C ATOM 0 H THR A 72 5.142 9.007 -1.119 1.00 0.00 H new ATOM 0 HA THR A 72 4.713 7.508 -3.670 1.00 0.00 H new ATOM 0 HB THR A 72 5.152 9.862 -4.594 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.539 11.455 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.824 10.607 -4.264 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.874 8.856 -4.579 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.633 9.455 -2.920 1.00 0.00 H new ATOM 1136 N LEU A 73 7.041 7.251 -4.175 1.00 0.00 N ATOM 1137 CA LEU A 73 8.444 6.977 -4.436 1.00 0.00 C ATOM 1138 C LEU A 73 9.009 8.061 -5.355 1.00 0.00 C ATOM 1139 O LEU A 73 8.400 8.399 -6.369 1.00 0.00 O ATOM 1140 CB LEU A 73 8.621 5.557 -4.979 1.00 0.00 C ATOM 1141 CG LEU A 73 10.005 5.220 -5.536 1.00 0.00 C ATOM 1142 CD1 LEU A 73 11.109 5.786 -4.641 1.00 0.00 C ATOM 1143 CD2 LEU A 73 10.157 3.712 -5.751 1.00 0.00 C ATOM 0 H LEU A 73 6.388 6.716 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 73 9.017 7.013 -3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.391 4.852 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.885 5.396 -5.767 1.00 0.00 H new ATOM 0 HG LEU A 73 10.106 5.696 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.083 5.532 -5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.010 6.870 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.022 5.360 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.150 3.499 -6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.027 3.194 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.402 3.367 -6.458 1.00 0.00 H new ATOM 1155 N SER A 74 10.166 8.577 -4.968 1.00 0.00 N ATOM 1156 CA SER A 74 10.820 9.616 -5.745 1.00 0.00 C ATOM 1157 C SER A 74 11.540 8.998 -6.945 1.00 0.00 C ATOM 1158 O SER A 74 12.489 8.234 -6.778 1.00 0.00 O ATOM 1159 CB SER A 74 11.806 10.409 -4.885 1.00 0.00 C ATOM 1160 OG SER A 74 11.270 11.664 -4.477 1.00 0.00 O ATOM 0 H SER A 74 10.668 8.295 -4.126 1.00 0.00 H new ATOM 0 HA SER A 74 10.056 10.306 -6.104 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.070 9.824 -4.004 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.726 10.573 -5.446 1.00 0.00 H new ATOM 0 HG SER A 74 11.929 12.139 -3.929 1.00 0.00 H new ATOM 1166 N GLY A 75 11.061 9.352 -8.129 1.00 0.00 N ATOM 1167 CA GLY A 75 11.647 8.841 -9.356 1.00 0.00 C ATOM 1168 C GLY A 75 13.078 9.351 -9.534 1.00 0.00 C ATOM 1169 O GLY A 75 13.886 8.721 -10.215 1.00 0.00 O ATOM 0 H GLY A 75 10.274 9.986 -8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.645 7.751 -9.338 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.040 9.146 -10.208 1.00 0.00 H new ATOM 1173 N GLU A 76 13.349 10.488 -8.909 1.00 0.00 N ATOM 1174 CA GLU A 76 14.669 11.089 -8.990 1.00 0.00 C ATOM 1175 C GLU A 76 15.694 10.222 -8.255 1.00 0.00 C ATOM 1176 O GLU A 76 16.867 10.195 -8.624 1.00 0.00 O ATOM 1177 CB GLU A 76 14.657 12.514 -8.433 1.00 0.00 C ATOM 1178 CG GLU A 76 13.887 12.580 -7.113 1.00 0.00 C ATOM 1179 CD GLU A 76 14.447 13.677 -6.205 1.00 0.00 C ATOM 1180 OE1 GLU A 76 15.624 13.537 -5.806 1.00 0.00 O ATOM 1181 OE2 GLU A 76 13.687 14.630 -5.930 1.00 0.00 O ATOM 0 H GLU A 76 12.677 11.008 -8.345 1.00 0.00 H new ATOM 0 HA GLU A 76 14.957 11.146 -10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.680 12.857 -8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.201 13.188 -9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.833 12.771 -7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.946 11.617 -6.605 1.00 0.00 H new ATOM 1188 N THR A 77 15.213 9.535 -7.229 1.00 0.00 N ATOM 1189 CA THR A 77 16.072 8.670 -6.440 1.00 0.00 C ATOM 1190 C THR A 77 15.347 7.367 -6.096 1.00 0.00 C ATOM 1191 O THR A 77 14.544 6.873 -6.886 1.00 0.00 O ATOM 1192 CB THR A 77 16.530 9.453 -5.208 1.00 0.00 C ATOM 1193 OG1 THR A 77 15.409 9.407 -4.330 1.00 0.00 O ATOM 1194 CG2 THR A 77 16.714 10.944 -5.498 1.00 0.00 C ATOM 0 H THR A 77 14.239 9.560 -6.926 1.00 0.00 H new ATOM 0 HA THR A 77 16.957 8.374 -7.003 1.00 0.00 H new ATOM 0 HB THR A 77 17.467 9.035 -4.841 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.720 9.425 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 77 17.039 11.454 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.466 11.073 -6.277 1.00 0.00 H new ATOM 0 HG23 THR A 77 15.768 11.369 -5.833 1.00 0.00 H new ATOM 1202 N GLU A 78 15.655 6.849 -4.916 1.00 0.00 N ATOM 1203 CA GLU A 78 15.042 5.614 -4.458 1.00 0.00 C ATOM 1204 C GLU A 78 14.255 5.858 -3.169 1.00 0.00 C ATOM 1205 O GLU A 78 13.614 4.947 -2.647 1.00 0.00 O ATOM 1206 CB GLU A 78 16.094 4.520 -4.260 1.00 0.00 C ATOM 1207 CG GLU A 78 16.894 4.291 -5.544 1.00 0.00 C ATOM 1208 CD GLU A 78 17.914 3.165 -5.359 1.00 0.00 C ATOM 1209 OE1 GLU A 78 18.719 3.278 -4.410 1.00 0.00 O ATOM 1210 OE2 GLU A 78 17.866 2.217 -6.173 1.00 0.00 O ATOM 0 H GLU A 78 16.321 7.262 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 78 14.348 5.270 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.769 4.801 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.607 3.592 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.216 4.042 -6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.408 5.210 -5.826 1.00 0.00 H new ATOM 1217 N GLU A 79 14.330 7.092 -2.692 1.00 0.00 N ATOM 1218 CA GLU A 79 13.633 7.467 -1.474 1.00 0.00 C ATOM 1219 C GLU A 79 12.155 7.732 -1.768 1.00 0.00 C ATOM 1220 O GLU A 79 11.775 7.939 -2.920 1.00 0.00 O ATOM 1221 CB GLU A 79 14.289 8.685 -0.820 1.00 0.00 C ATOM 1222 CG GLU A 79 15.643 8.318 -0.211 1.00 0.00 C ATOM 1223 CD GLU A 79 16.680 8.045 -1.303 1.00 0.00 C ATOM 1224 OE1 GLU A 79 16.994 9.004 -2.040 1.00 0.00 O ATOM 1225 OE2 GLU A 79 17.134 6.882 -1.377 1.00 0.00 O ATOM 0 H GLU A 79 14.863 7.845 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 79 13.700 6.637 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.421 9.473 -1.561 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.634 9.083 -0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.989 9.129 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.535 7.437 0.421 1.00 0.00 H new ATOM 1232 N LEU A 80 11.361 7.717 -0.708 1.00 0.00 N ATOM 1233 CA LEU A 80 9.934 7.953 -0.838 1.00 0.00 C ATOM 1234 C LEU A 80 9.584 9.302 -0.206 1.00 0.00 C ATOM 1235 O LEU A 80 10.474 10.066 0.166 1.00 0.00 O ATOM 1236 CB LEU A 80 9.142 6.779 -0.259 1.00 0.00 C ATOM 1237 CG LEU A 80 9.251 5.456 -1.020 1.00 0.00 C ATOM 1238 CD1 LEU A 80 9.819 4.353 -0.124 1.00 0.00 C ATOM 1239 CD2 LEU A 80 7.904 5.061 -1.630 1.00 0.00 C ATOM 0 H LEU A 80 11.679 7.545 0.246 1.00 0.00 H new ATOM 0 HA LEU A 80 9.652 8.011 -1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.473 6.614 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.091 7.063 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 80 9.950 5.594 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.886 3.423 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.812 4.640 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.164 4.209 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.010 4.117 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.165 4.948 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.577 5.836 -2.323 1.00 0.00 H new ATOM 1251 N SER A 81 8.287 9.553 -0.103 1.00 0.00 N ATOM 1252 CA SER A 81 7.810 10.796 0.477 1.00 0.00 C ATOM 1253 C SER A 81 6.477 10.562 1.191 1.00 0.00 C ATOM 1254 O SER A 81 5.596 9.885 0.663 1.00 0.00 O ATOM 1255 CB SER A 81 7.656 11.880 -0.592 1.00 0.00 C ATOM 1256 OG SER A 81 7.091 13.076 -0.062 1.00 0.00 O ATOM 0 H SER A 81 7.552 8.916 -0.412 1.00 0.00 H new ATOM 0 HA SER A 81 8.548 11.141 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.631 12.101 -1.027 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.024 11.507 -1.398 1.00 0.00 H new ATOM 0 HG SER A 81 7.011 13.744 -0.775 1.00 0.00 H new ATOM 1262 N ARG A 82 6.371 11.135 2.381 1.00 0.00 N ATOM 1263 CA ARG A 82 5.161 10.997 3.173 1.00 0.00 C ATOM 1264 C ARG A 82 4.001 11.738 2.504 1.00 0.00 C ATOM 1265 O ARG A 82 3.891 12.957 2.617 1.00 0.00 O ATOM 1266 CB ARG A 82 5.361 11.549 4.586 1.00 0.00 C ATOM 1267 CG ARG A 82 4.194 11.161 5.497 1.00 0.00 C ATOM 1268 CD ARG A 82 4.124 12.080 6.718 1.00 0.00 C ATOM 1269 NE ARG A 82 2.721 12.479 6.971 1.00 0.00 N ATOM 1270 CZ ARG A 82 2.355 13.423 7.849 1.00 0.00 C ATOM 1271 NH1 ARG A 82 3.286 14.071 8.562 1.00 0.00 N ATOM 1272 NH2 ARG A 82 1.059 13.719 8.012 1.00 0.00 N ATOM 0 H ARG A 82 7.104 11.696 2.816 1.00 0.00 H new ATOM 0 HA ARG A 82 4.928 9.934 3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.294 11.167 5.001 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.451 12.635 4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.259 11.218 4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.309 10.127 5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.529 11.569 7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.738 12.965 6.553 1.00 0.00 H new ATOM 0 HE ARG A 82 1.987 12.006 6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.273 13.846 8.436 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.008 14.790 9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.351 13.226 7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.780 14.437 8.680 1.00 0.00 H new ATOM 1286 N LEU A 83 3.166 10.969 1.820 1.00 0.00 N ATOM 1287 CA LEU A 83 2.019 11.537 1.132 1.00 0.00 C ATOM 1288 C LEU A 83 0.968 11.954 2.162 1.00 0.00 C ATOM 1289 O LEU A 83 0.639 13.134 2.276 1.00 0.00 O ATOM 1290 CB LEU A 83 1.492 10.563 0.076 1.00 0.00 C ATOM 1291 CG LEU A 83 0.323 11.065 -0.774 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.670 12.389 -1.457 1.00 0.00 C ATOM 1293 CD2 LEU A 83 -0.120 10.000 -1.780 1.00 0.00 C ATOM 0 H LEU A 83 3.261 9.958 1.728 1.00 0.00 H new ATOM 0 HA LEU A 83 2.308 12.436 0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.314 10.301 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.183 9.646 0.578 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.523 11.256 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.178 12.723 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.899 13.140 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.537 12.249 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.952 10.382 -2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.712 9.755 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.436 9.104 -1.246 1.00 0.00 H new ATOM 1305 N ALA A 84 0.469 10.964 2.887 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.538 11.213 3.904 1.00 0.00 C ATOM 1307 C ALA A 84 -0.465 10.117 4.969 1.00 0.00 C ATOM 1308 O ALA A 84 0.360 9.209 4.874 1.00 0.00 O ATOM 1309 CB ALA A 84 -1.917 11.297 3.247 1.00 0.00 C ATOM 0 H ALA A 84 0.744 9.987 2.790 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.354 12.166 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.673 11.484 4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.925 12.110 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.137 10.357 2.741 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.338 10.238 5.958 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.383 9.268 7.039 1.00 0.00 C ATOM 1317 C GLY A 85 -0.615 9.775 8.262 1.00 0.00 C ATOM 1318 O GLY A 85 -1.019 10.750 8.892 1.00 0.00 O ATOM 0 H GLY A 85 -2.020 10.993 6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.420 9.070 7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.956 8.323 6.703 1.00 0.00 H new ATOM 1322 N TYR A 86 0.478 9.089 8.560 1.00 0.00 N ATOM 1323 CA TYR A 86 1.306 9.457 9.696 1.00 0.00 C ATOM 1324 C TYR A 86 2.522 8.535 9.809 1.00 0.00 C ATOM 1325 O TYR A 86 2.376 7.330 10.004 1.00 0.00 O ATOM 1326 CB TYR A 86 0.427 9.276 10.934 1.00 0.00 C ATOM 1327 CG TYR A 86 1.137 9.590 12.253 1.00 0.00 C ATOM 1328 CD1 TYR A 86 1.189 10.888 12.718 1.00 0.00 C ATOM 1329 CD2 TYR A 86 1.727 8.574 12.977 1.00 0.00 C ATOM 1330 CE1 TYR A 86 1.857 11.183 13.958 1.00 0.00 C ATOM 1331 CE2 TYR A 86 2.396 8.869 14.218 1.00 0.00 C ATOM 1332 CZ TYR A 86 2.428 10.159 14.647 1.00 0.00 C ATOM 1333 OH TYR A 86 3.059 10.437 15.819 1.00 0.00 O ATOM 0 H TYR A 86 0.810 8.280 8.035 1.00 0.00 H new ATOM 0 HA TYR A 86 1.673 10.478 9.589 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.448 9.919 10.843 1.00 0.00 H new ATOM 0 HB3 TYR A 86 0.066 8.248 10.963 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.728 11.683 12.151 1.00 0.00 H new ATOM 0 HD2 TYR A 86 1.687 7.558 12.613 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.904 12.195 14.333 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.862 8.084 14.795 1.00 0.00 H new ATOM 0 HH TYR A 86 3.418 9.609 16.201 1.00 0.00 H new ATOM 1343 N GLY A 87 3.695 9.138 9.683 1.00 0.00 N ATOM 1344 CA GLY A 87 4.936 8.387 9.770 1.00 0.00 C ATOM 1345 C GLY A 87 6.143 9.289 9.504 1.00 0.00 C ATOM 1346 O GLY A 87 6.095 10.489 9.768 1.00 0.00 O ATOM 0 H GLY A 87 3.812 10.138 9.521 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.025 7.937 10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.922 7.570 9.049 1.00 0.00 H new ATOM 1350 N PRO A 88 7.225 8.659 8.972 1.00 0.00 N ATOM 1351 CA PRO A 88 8.442 9.392 8.668 1.00 0.00 C ATOM 1352 C PRO A 88 8.271 10.240 7.406 1.00 0.00 C ATOM 1353 O PRO A 88 7.923 9.720 6.347 1.00 0.00 O ATOM 1354 CB PRO A 88 9.517 8.327 8.527 1.00 0.00 C ATOM 1355 CG PRO A 88 8.780 7.018 8.296 1.00 0.00 C ATOM 1356 CD PRO A 88 7.317 7.239 8.647 1.00 0.00 C ATOM 0 HA PRO A 88 8.708 10.107 9.446 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.183 8.552 7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.135 8.274 9.424 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.880 6.702 7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.205 6.226 8.913 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.666 6.981 7.812 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.014 6.619 9.491 1.00 0.00 H new ATOM 1364 N ARG A 89 8.524 11.532 7.561 1.00 0.00 N ATOM 1365 CA ARG A 89 8.403 12.457 6.447 1.00 0.00 C ATOM 1366 C ARG A 89 8.884 11.796 5.154 1.00 0.00 C ATOM 1367 O ARG A 89 8.233 11.908 4.116 1.00 0.00 O ATOM 1368 CB ARG A 89 9.217 13.728 6.696 1.00 0.00 C ATOM 1369 CG ARG A 89 9.014 14.739 5.566 1.00 0.00 C ATOM 1370 CD ARG A 89 9.421 16.146 6.009 1.00 0.00 C ATOM 1371 NE ARG A 89 10.153 16.828 4.918 1.00 0.00 N ATOM 1372 CZ ARG A 89 11.388 16.494 4.519 1.00 0.00 C ATOM 1373 NH1 ARG A 89 12.036 15.485 5.118 1.00 0.00 N ATOM 1374 NH2 ARG A 89 11.974 17.168 3.521 1.00 0.00 N ATOM 0 H ARG A 89 8.812 11.960 8.441 1.00 0.00 H new ATOM 0 HA ARG A 89 7.351 12.726 6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.920 14.174 7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.274 13.477 6.778 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.603 14.443 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.969 14.739 5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 89 8.536 16.721 6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.048 16.089 6.899 1.00 0.00 H new ATOM 0 HE ARG A 89 9.689 17.600 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.589 14.971 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.976 15.231 4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.480 17.935 3.065 1.00 0.00 H new ATOM 0 HH22 ARG A 89 12.914 16.914 3.217 1.00 0.00 H new ATOM 1388 N THR A 90 10.019 11.122 5.258 1.00 0.00 N ATOM 1389 CA THR A 90 10.595 10.443 4.109 1.00 0.00 C ATOM 1390 C THR A 90 11.020 9.022 4.487 1.00 0.00 C ATOM 1391 O THR A 90 11.036 8.668 5.664 1.00 0.00 O ATOM 1392 CB THR A 90 11.746 11.301 3.581 1.00 0.00 C ATOM 1393 OG1 THR A 90 11.100 12.313 2.813 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.612 10.557 2.563 1.00 0.00 C ATOM 0 H THR A 90 10.556 11.031 6.120 1.00 0.00 H new ATOM 0 HA THR A 90 9.863 10.328 3.310 1.00 0.00 H new ATOM 0 HB THR A 90 12.367 11.628 4.415 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.773 12.916 2.434 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.414 11.211 2.220 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.041 9.670 3.030 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.999 10.259 1.713 1.00 0.00 H new ATOM 1402 N VAL A 91 11.352 8.247 3.465 1.00 0.00 N ATOM 1403 CA VAL A 91 11.776 6.873 3.675 1.00 0.00 C ATOM 1404 C VAL A 91 12.910 6.540 2.703 1.00 0.00 C ATOM 1405 O VAL A 91 12.902 6.987 1.557 1.00 0.00 O ATOM 1406 CB VAL A 91 10.578 5.930 3.542 1.00 0.00 C ATOM 1407 CG1 VAL A 91 11.032 4.470 3.510 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.568 6.166 4.667 1.00 0.00 C ATOM 0 H VAL A 91 11.336 8.544 2.489 1.00 0.00 H new ATOM 0 HA VAL A 91 12.165 6.743 4.685 1.00 0.00 H new ATOM 0 HB VAL A 91 10.082 6.148 2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.162 3.820 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.696 4.314 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.562 4.234 4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.726 5.483 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.048 5.988 5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.210 7.195 4.624 1.00 0.00 H new ATOM 1418 N THR A 92 13.858 5.757 3.196 1.00 0.00 N ATOM 1419 CA THR A 92 14.996 5.358 2.386 1.00 0.00 C ATOM 1420 C THR A 92 14.995 3.843 2.174 1.00 0.00 C ATOM 1421 O THR A 92 14.323 3.112 2.898 1.00 0.00 O ATOM 1422 CB THR A 92 16.265 5.876 3.065 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.302 5.180 4.308 1.00 0.00 O ATOM 1424 CG2 THR A 92 16.155 7.349 3.467 1.00 0.00 C ATOM 0 H THR A 92 13.861 5.388 4.147 1.00 0.00 H new ATOM 0 HA THR A 92 14.943 5.794 1.388 1.00 0.00 H new ATOM 0 HB THR A 92 17.114 5.745 2.395 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.096 5.455 4.813 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.082 7.666 3.944 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.978 7.956 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.326 7.475 4.164 1.00 0.00 H new ATOM 1432 N PRO A 93 15.778 3.406 1.151 1.00 0.00 N ATOM 1433 CA PRO A 93 15.873 1.991 0.834 1.00 0.00 C ATOM 1434 C PRO A 93 16.742 1.257 1.858 1.00 0.00 C ATOM 1435 O PRO A 93 16.819 0.030 1.847 1.00 0.00 O ATOM 1436 CB PRO A 93 16.444 1.940 -0.573 1.00 0.00 C ATOM 1437 CG PRO A 93 17.078 3.300 -0.815 1.00 0.00 C ATOM 1438 CD PRO A 93 16.588 4.243 0.272 1.00 0.00 C ATOM 0 HA PRO A 93 14.908 1.485 0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 93 17.182 1.143 -0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.662 1.738 -1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 93 18.165 3.224 -0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.805 3.678 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.422 4.693 0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.001 5.060 -0.148 1.00 0.00 H new ATOM 1446 N ALA A 94 17.376 2.041 2.719 1.00 0.00 N ATOM 1447 CA ALA A 94 18.236 1.482 3.747 1.00 0.00 C ATOM 1448 C ALA A 94 17.384 1.061 4.946 1.00 0.00 C ATOM 1449 O ALA A 94 17.731 0.120 5.659 1.00 0.00 O ATOM 1450 CB ALA A 94 19.310 2.504 4.126 1.00 0.00 C ATOM 0 H ALA A 94 17.311 3.059 2.725 1.00 0.00 H new ATOM 0 HA ALA A 94 18.747 0.593 3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.955 2.084 4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 94 19.907 2.748 3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.834 3.409 4.504 1.00 0.00 H new ATOM 1456 N MET A 95 16.285 1.777 5.131 1.00 0.00 N ATOM 1457 CA MET A 95 15.380 1.489 6.231 1.00 0.00 C ATOM 1458 C MET A 95 14.360 0.419 5.836 1.00 0.00 C ATOM 1459 O MET A 95 13.802 -0.259 6.697 1.00 0.00 O ATOM 1460 CB MET A 95 14.646 2.769 6.637 1.00 0.00 C ATOM 1461 CG MET A 95 15.599 3.754 7.317 1.00 0.00 C ATOM 1462 SD MET A 95 14.696 4.784 8.462 1.00 0.00 S ATOM 1463 CE MET A 95 13.388 5.363 7.393 1.00 0.00 C ATOM 0 H MET A 95 16.000 2.556 4.538 1.00 0.00 H new ATOM 0 HA MET A 95 15.966 1.114 7.070 1.00 0.00 H new ATOM 0 HB2 MET A 95 14.204 3.234 5.756 1.00 0.00 H new ATOM 0 HB3 MET A 95 13.827 2.524 7.313 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.382 3.210 7.844 1.00 0.00 H new ATOM 0 HG3 MET A 95 16.091 4.374 6.567 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.936 6.257 7.823 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.798 5.600 6.411 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.630 4.586 7.292 1.00 0.00 H new ATOM 1473 N VAL A 96 14.148 0.301 4.534 1.00 0.00 N ATOM 1474 CA VAL A 96 13.205 -0.675 4.015 1.00 0.00 C ATOM 1475 C VAL A 96 13.653 -2.079 4.425 1.00 0.00 C ATOM 1476 O VAL A 96 14.808 -2.450 4.221 1.00 0.00 O ATOM 1477 CB VAL A 96 13.063 -0.512 2.500 1.00 0.00 C ATOM 1478 CG1 VAL A 96 12.437 -1.758 1.870 1.00 0.00 C ATOM 1479 CG2 VAL A 96 12.254 0.741 2.157 1.00 0.00 C ATOM 0 H VAL A 96 14.613 0.865 3.823 1.00 0.00 H new ATOM 0 HA VAL A 96 12.215 -0.512 4.440 1.00 0.00 H new ATOM 0 HB VAL A 96 14.062 -0.391 2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 96 12.348 -1.615 0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 96 13.069 -2.623 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 96 11.448 -1.924 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 96 12.168 0.833 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.259 0.663 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 96 12.758 1.621 2.557 1.00 0.00 H new ATOM 1489 N GLU A 97 12.716 -2.821 4.997 1.00 0.00 N ATOM 1490 CA GLU A 97 13.000 -4.176 5.437 1.00 0.00 C ATOM 1491 C GLU A 97 12.567 -5.184 4.370 1.00 0.00 C ATOM 1492 O GLU A 97 13.319 -6.096 4.031 1.00 0.00 O ATOM 1493 CB GLU A 97 12.322 -4.471 6.777 1.00 0.00 C ATOM 1494 CG GLU A 97 12.669 -5.877 7.270 1.00 0.00 C ATOM 1495 CD GLU A 97 11.868 -6.231 8.525 1.00 0.00 C ATOM 1496 OE1 GLU A 97 10.652 -6.476 8.372 1.00 0.00 O ATOM 1497 OE2 GLU A 97 12.491 -6.250 9.608 1.00 0.00 O ATOM 0 H GLU A 97 11.760 -2.509 5.166 1.00 0.00 H new ATOM 0 HA GLU A 97 14.076 -4.271 5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.636 -3.735 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.241 -4.376 6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.461 -6.603 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.736 -5.938 7.486 1.00 0.00 H new ATOM 1504 N GLY A 98 11.357 -4.984 3.870 1.00 0.00 N ATOM 1505 CA GLY A 98 10.815 -5.863 2.848 1.00 0.00 C ATOM 1506 C GLY A 98 10.041 -5.068 1.794 1.00 0.00 C ATOM 1507 O GLY A 98 9.554 -3.973 2.072 1.00 0.00 O ATOM 0 H GLY A 98 10.736 -4.226 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.625 -6.414 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.157 -6.600 3.309 1.00 0.00 H new ATOM 1511 N ILE A 99 9.952 -5.650 0.608 1.00 0.00 N ATOM 1512 CA ILE A 99 9.246 -5.010 -0.489 1.00 0.00 C ATOM 1513 C ILE A 99 8.371 -6.044 -1.200 1.00 0.00 C ATOM 1514 O ILE A 99 8.824 -7.150 -1.491 1.00 0.00 O ATOM 1515 CB ILE A 99 10.231 -4.296 -1.416 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.584 -5.010 -1.433 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.367 -2.819 -1.040 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.472 -4.477 -2.560 1.00 0.00 C ATOM 0 H ILE A 99 10.357 -6.558 0.382 1.00 0.00 H new ATOM 0 HA ILE A 99 8.580 -4.234 -0.112 1.00 0.00 H new ATOM 0 HB ILE A 99 9.834 -4.334 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.084 -4.871 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.432 -6.082 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.073 -2.335 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.395 -2.332 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.730 -2.736 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.427 -5.001 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.980 -4.639 -3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.642 -3.410 -2.415 1.00 0.00 H new ATOM 1530 N TYR A 100 7.134 -5.648 -1.459 1.00 0.00 N ATOM 1531 CA TYR A 100 6.191 -6.527 -2.130 1.00 0.00 C ATOM 1532 C TYR A 100 5.683 -5.896 -3.428 1.00 0.00 C ATOM 1533 O TYR A 100 5.858 -4.699 -3.651 1.00 0.00 O ATOM 1534 CB TYR A 100 5.016 -6.700 -1.166 1.00 0.00 C ATOM 1535 CG TYR A 100 5.404 -7.301 0.186 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.105 -6.544 1.102 1.00 0.00 C ATOM 1537 CD2 TYR A 100 5.052 -8.600 0.490 1.00 0.00 C ATOM 1538 CE1 TYR A 100 6.470 -7.110 2.375 1.00 0.00 C ATOM 1539 CE2 TYR A 100 5.417 -9.166 1.763 1.00 0.00 C ATOM 1540 CZ TYR A 100 6.108 -8.393 2.643 1.00 0.00 C ATOM 1541 OH TYR A 100 6.452 -8.927 3.845 1.00 0.00 O ATOM 0 H TYR A 100 6.762 -4.730 -1.216 1.00 0.00 H new ATOM 0 HA TYR A 100 6.664 -7.475 -2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.550 -5.729 -1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.266 -7.338 -1.634 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.380 -5.527 0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.503 -9.192 -0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.019 -6.528 3.101 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.148 -10.182 2.013 1.00 0.00 H new ATOM 0 HH TYR A 100 6.278 -8.274 4.555 1.00 0.00 H new ATOM 1551 N LYS A 101 5.062 -6.730 -4.250 1.00 0.00 N ATOM 1552 CA LYS A 101 4.527 -6.269 -5.520 1.00 0.00 C ATOM 1553 C LYS A 101 3.077 -6.738 -5.657 1.00 0.00 C ATOM 1554 O LYS A 101 2.670 -7.705 -5.014 1.00 0.00 O ATOM 1555 CB LYS A 101 5.429 -6.712 -6.674 1.00 0.00 C ATOM 1556 CG LYS A 101 5.252 -8.203 -6.967 1.00 0.00 C ATOM 1557 CD LYS A 101 6.483 -8.998 -6.526 1.00 0.00 C ATOM 1558 CE LYS A 101 7.210 -9.596 -7.732 1.00 0.00 C ATOM 1559 NZ LYS A 101 6.256 -10.307 -8.612 1.00 0.00 N ATOM 0 H LYS A 101 4.918 -7.722 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 101 4.515 -5.180 -5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.195 -6.132 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.470 -6.508 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.369 -8.577 -6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.082 -8.350 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.161 -8.348 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.181 -9.795 -5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.710 -8.805 -8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.984 -10.285 -7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.705 -11.167 -8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.409 -10.568 -8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.983 -9.687 -9.401 1.00 0.00 H new ATOM 1573 N TYR A 102 2.338 -6.032 -6.500 1.00 0.00 N ATOM 1574 CA TYR A 102 0.942 -6.364 -6.730 1.00 0.00 C ATOM 1575 C TYR A 102 0.780 -7.206 -7.997 1.00 0.00 C ATOM 1576 O TYR A 102 1.097 -6.750 -9.094 1.00 0.00 O ATOM 1577 CB TYR A 102 0.217 -5.030 -6.923 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.279 -5.170 -7.207 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -1.708 -5.612 -8.443 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -2.200 -4.856 -6.229 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.117 -5.744 -8.711 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.609 -4.988 -6.497 1.00 0.00 C ATOM 1583 CZ TYR A 102 -3.998 -5.425 -7.724 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.328 -5.550 -7.978 1.00 0.00 O ATOM 0 H TYR A 102 2.679 -5.232 -7.032 1.00 0.00 H new ATOM 0 HA TYR A 102 0.543 -6.940 -5.895 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.351 -4.423 -6.028 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.684 -4.491 -7.747 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -0.987 -5.859 -9.208 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.864 -4.511 -5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.466 -6.088 -9.673 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.340 -4.745 -5.740 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.471 -6.269 -8.629 1.00 0.00 H new ATOM 1594 N ASN A 103 0.287 -8.421 -7.802 1.00 0.00 N ATOM 1595 CA ASN A 103 0.080 -9.331 -8.916 1.00 0.00 C ATOM 1596 C ASN A 103 -1.178 -8.916 -9.681 1.00 0.00 C ATOM 1597 O ASN A 103 -2.294 -9.207 -9.253 1.00 0.00 O ATOM 1598 CB ASN A 103 -0.118 -10.766 -8.424 1.00 0.00 C ATOM 1599 CG ASN A 103 1.078 -11.644 -8.797 1.00 0.00 C ATOM 1600 OD1 ASN A 103 0.983 -12.562 -9.595 1.00 0.00 O ATOM 1601 ND2 ASN A 103 2.207 -11.312 -8.178 1.00 0.00 N ATOM 0 H ASN A 103 0.025 -8.796 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 103 0.961 -9.287 -9.556 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.252 -10.768 -7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.028 -11.181 -8.858 1.00 0.00 H new ATOM 0 HD21 ASN A 103 3.062 -11.837 -8.360 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.218 -10.532 -7.521 1.00 0.00 H new ATOM 1608 N SER A 104 -0.956 -8.241 -10.799 1.00 0.00 N ATOM 1609 CA SER A 104 -2.058 -7.782 -11.628 1.00 0.00 C ATOM 1610 C SER A 104 -2.518 -8.908 -12.556 1.00 0.00 C ATOM 1611 O SER A 104 -3.348 -8.690 -13.438 1.00 0.00 O ATOM 1612 CB SER A 104 -1.658 -6.551 -12.444 1.00 0.00 C ATOM 1613 OG SER A 104 -1.974 -5.337 -11.768 1.00 0.00 O ATOM 0 H SER A 104 -0.029 -8.001 -11.150 1.00 0.00 H new ATOM 0 HA SER A 104 -2.883 -7.498 -10.975 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.588 -6.584 -12.649 1.00 0.00 H new ATOM 0 HB3 SER A 104 -2.168 -6.573 -13.407 1.00 0.00 H new ATOM 0 HG SER A 104 -2.024 -5.503 -10.803 1.00 0.00 H new ATOM 1619 N ASP A 105 -1.959 -10.087 -12.326 1.00 0.00 N ATOM 1620 CA ASP A 105 -2.302 -11.247 -13.131 1.00 0.00 C ATOM 1621 C ASP A 105 -3.040 -12.266 -12.261 1.00 0.00 C ATOM 1622 O ASP A 105 -3.943 -12.955 -12.735 1.00 0.00 O ATOM 1623 CB ASP A 105 -1.047 -11.922 -13.688 1.00 0.00 C ATOM 1624 CG ASP A 105 -0.614 -11.439 -15.073 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -1.480 -11.450 -15.975 1.00 0.00 O ATOM 1626 OD2 ASP A 105 0.574 -11.071 -15.200 1.00 0.00 O ATOM 0 H ASP A 105 -1.271 -10.264 -11.594 1.00 0.00 H new ATOM 0 HA ASP A 105 -2.927 -10.910 -13.958 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -0.226 -11.760 -12.990 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -1.220 -12.997 -13.732 1.00 0.00 H new ATOM 1631 N ARG A 106 -2.629 -12.330 -11.003 1.00 0.00 N ATOM 1632 CA ARG A 106 -3.240 -13.253 -10.062 1.00 0.00 C ATOM 1633 C ARG A 106 -4.110 -12.492 -9.059 1.00 0.00 C ATOM 1634 O ARG A 106 -4.814 -13.101 -8.255 1.00 0.00 O ATOM 1635 CB ARG A 106 -2.177 -14.050 -9.302 1.00 0.00 C ATOM 1636 CG ARG A 106 -1.757 -15.293 -10.089 1.00 0.00 C ATOM 1637 CD ARG A 106 -1.814 -16.544 -9.210 1.00 0.00 C ATOM 1638 NE ARG A 106 -2.251 -17.707 -10.012 1.00 0.00 N ATOM 1639 CZ ARG A 106 -2.186 -18.978 -9.591 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -1.701 -19.256 -8.373 1.00 0.00 N ATOM 1641 NH2 ARG A 106 -2.606 -19.970 -10.387 1.00 0.00 N ATOM 0 H ARG A 106 -1.880 -11.757 -10.614 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.859 -13.946 -10.633 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.307 -13.420 -9.119 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.567 -14.346 -8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.411 -15.420 -10.951 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.746 -15.160 -10.473 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.833 -16.739 -8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.503 -16.384 -8.381 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.625 -17.531 -10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.382 -18.501 -7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.651 -20.223 -8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.975 -19.758 -11.314 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.556 -20.937 -10.066 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.033 -11.172 -9.141 1.00 0.00 N ATOM 1656 CA LYS A 107 -4.804 -10.321 -8.251 1.00 0.00 C ATOM 1657 C LYS A 107 -4.422 -10.627 -6.801 1.00 0.00 C ATOM 1658 O LYS A 107 -5.264 -10.560 -5.906 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.300 -10.464 -8.536 1.00 0.00 C ATOM 1660 CG LYS A 107 -6.687 -9.726 -9.819 1.00 0.00 C ATOM 1661 CD LYS A 107 -8.014 -10.247 -10.373 1.00 0.00 C ATOM 1662 CE LYS A 107 -8.349 -9.583 -11.710 1.00 0.00 C ATOM 1663 NZ LYS A 107 -8.906 -10.575 -12.657 1.00 0.00 N ATOM 0 H LYS A 107 -3.448 -10.671 -9.810 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.568 -9.272 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.557 -11.519 -8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.873 -10.068 -7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.767 -8.658 -9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.903 -9.852 -10.566 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.958 -11.328 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.812 -10.053 -9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.067 -8.778 -11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.452 -9.131 -12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -9.128 -10.107 -13.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.208 -11.329 -12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.774 -10.987 -12.258 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.153 -10.958 -6.614 1.00 0.00 N ATOM 1678 CA ARG A 108 -2.649 -11.275 -5.289 1.00 0.00 C ATOM 1679 C ARG A 108 -1.422 -10.420 -4.969 1.00 0.00 C ATOM 1680 O ARG A 108 -1.068 -9.524 -5.734 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.274 -12.754 -5.181 1.00 0.00 C ATOM 1682 CG ARG A 108 -3.488 -13.648 -5.440 1.00 0.00 C ATOM 1683 CD ARG A 108 -4.177 -14.032 -4.129 1.00 0.00 C ATOM 1684 NE ARG A 108 -4.122 -15.498 -3.939 1.00 0.00 N ATOM 1685 CZ ARG A 108 -4.218 -16.106 -2.748 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -4.374 -15.376 -1.635 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -4.157 -17.442 -2.671 1.00 0.00 N ATOM 0 H ARG A 108 -2.458 -11.014 -7.359 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.442 -11.060 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.487 -12.987 -5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.872 -12.959 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.195 -13.129 -6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.175 -14.549 -5.968 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -3.691 -13.530 -3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.214 -13.697 -4.142 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.004 -16.083 -4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.420 -14.359 -1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.447 -15.838 -0.728 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.037 -17.997 -3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.230 -17.904 -1.765 1.00 0.00 H new ATOM 1701 N PHE A 109 -0.806 -10.726 -3.836 1.00 0.00 N ATOM 1702 CA PHE A 109 0.375 -9.997 -3.406 1.00 0.00 C ATOM 1703 C PHE A 109 1.610 -10.900 -3.411 1.00 0.00 C ATOM 1704 O PHE A 109 1.547 -12.047 -2.971 1.00 0.00 O ATOM 1705 CB PHE A 109 0.111 -9.523 -1.975 1.00 0.00 C ATOM 1706 CG PHE A 109 -0.061 -8.009 -1.843 1.00 0.00 C ATOM 1707 CD1 PHE A 109 -0.639 -7.299 -2.849 1.00 0.00 C ATOM 1708 CD2 PHE A 109 0.364 -7.371 -0.719 1.00 0.00 C ATOM 1709 CE1 PHE A 109 -0.799 -5.894 -2.726 1.00 0.00 C ATOM 1710 CE2 PHE A 109 0.204 -5.966 -0.596 1.00 0.00 C ATOM 1711 CZ PHE A 109 -0.374 -5.257 -1.603 1.00 0.00 C ATOM 0 H PHE A 109 -1.103 -11.469 -3.203 1.00 0.00 H new ATOM 0 HA PHE A 109 0.565 -9.164 -4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.787 -10.014 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.937 -9.841 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.976 -7.805 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.823 -7.934 0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.259 -5.331 -3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.541 -5.460 0.297 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.495 -4.188 -1.510 1.00 0.00 H new ATOM 1721 N THR A 110 2.704 -10.349 -3.915 1.00 0.00 N ATOM 1722 CA THR A 110 3.952 -11.091 -3.984 1.00 0.00 C ATOM 1723 C THR A 110 5.080 -10.299 -3.320 1.00 0.00 C ATOM 1724 O THR A 110 4.998 -9.078 -3.197 1.00 0.00 O ATOM 1725 CB THR A 110 4.225 -11.422 -5.452 1.00 0.00 C ATOM 1726 OG1 THR A 110 3.110 -12.220 -5.841 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.427 -12.352 -5.629 1.00 0.00 C ATOM 0 H THR A 110 2.753 -9.398 -4.280 1.00 0.00 H new ATOM 0 HA THR A 110 3.886 -12.028 -3.432 1.00 0.00 H new ATOM 0 HB THR A 110 4.395 -10.499 -6.006 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.386 -12.849 -6.540 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.577 -12.555 -6.689 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.319 -11.876 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.243 -13.289 -5.103 1.00 0.00 H new ATOM 1735 N GLN A 111 6.109 -11.027 -2.909 1.00 0.00 N ATOM 1736 CA GLN A 111 7.252 -10.408 -2.261 1.00 0.00 C ATOM 1737 C GLN A 111 8.436 -10.335 -3.229 1.00 0.00 C ATOM 1738 O GLN A 111 8.663 -11.260 -4.007 1.00 0.00 O ATOM 1739 CB GLN A 111 7.633 -11.161 -0.985 1.00 0.00 C ATOM 1740 CG GLN A 111 8.213 -10.208 0.062 1.00 0.00 C ATOM 1741 CD GLN A 111 9.612 -10.654 0.494 1.00 0.00 C ATOM 1742 OE1 GLN A 111 10.482 -10.929 -0.316 1.00 0.00 O ATOM 1743 NE2 GLN A 111 9.778 -10.709 1.812 1.00 0.00 N ATOM 0 H GLN A 111 6.174 -12.040 -3.013 1.00 0.00 H new ATOM 0 HA GLN A 111 6.977 -9.392 -1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 111 6.755 -11.662 -0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 111 8.362 -11.936 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 111 8.259 -9.198 -0.346 1.00 0.00 H new ATOM 0 HG3 GLN A 111 7.555 -10.171 0.930 1.00 0.00 H new ATOM 0 HE21 GLN A 111 9.007 -10.465 2.434 1.00 0.00 H new ATOM 0 HE22 GLN A 111 10.676 -10.995 2.201 1.00 0.00 H new ATOM 1752 N ILE A 112 9.157 -9.227 -3.148 1.00 0.00 N ATOM 1753 CA ILE A 112 10.311 -9.021 -4.006 1.00 0.00 C ATOM 1754 C ILE A 112 11.553 -9.613 -3.335 1.00 0.00 C ATOM 1755 O ILE A 112 11.753 -9.445 -2.133 1.00 0.00 O ATOM 1756 CB ILE A 112 10.454 -7.541 -4.367 1.00 0.00 C ATOM 1757 CG1 ILE A 112 9.086 -6.860 -4.436 1.00 0.00 C ATOM 1758 CG2 ILE A 112 11.248 -7.367 -5.663 1.00 0.00 C ATOM 1759 CD1 ILE A 112 9.005 -5.913 -5.636 1.00 0.00 C ATOM 0 H ILE A 112 8.964 -8.462 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 112 10.179 -9.545 -4.953 1.00 0.00 H new ATOM 0 HB ILE A 112 11.019 -7.049 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.303 -7.615 -4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 112 8.906 -6.304 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.335 -6.306 -5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.243 -7.794 -5.540 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.732 -7.877 -6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 112 8.022 -5.442 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.773 -5.145 -5.546 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.161 -6.477 -6.556 1.00 0.00 H new ATOM 1771 N PRO A 113 12.376 -10.311 -4.163 1.00 0.00 N ATOM 1772 CA PRO A 113 13.592 -10.929 -3.663 1.00 0.00 C ATOM 1773 C PRO A 113 14.677 -9.879 -3.413 1.00 0.00 C ATOM 1774 O PRO A 113 15.757 -10.203 -2.922 1.00 0.00 O ATOM 1775 CB PRO A 113 13.982 -11.946 -4.723 1.00 0.00 C ATOM 1776 CG PRO A 113 13.239 -11.537 -5.985 1.00 0.00 C ATOM 1777 CD PRO A 113 12.171 -10.531 -5.592 1.00 0.00 C ATOM 0 HA PRO A 113 13.451 -11.415 -2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.060 -11.946 -4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.706 -12.955 -4.417 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.927 -11.100 -6.708 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.787 -12.407 -6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.275 -9.603 -6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.171 -10.916 -5.794 1.00 0.00 H new ATOM 1785 N ALA A 114 14.351 -8.643 -3.762 1.00 0.00 N ATOM 1786 CA ALA A 114 15.285 -7.545 -3.582 1.00 0.00 C ATOM 1787 C ALA A 114 14.859 -6.713 -2.370 1.00 0.00 C ATOM 1788 O ALA A 114 13.685 -6.703 -2.001 1.00 0.00 O ATOM 1789 CB ALA A 114 15.350 -6.714 -4.865 1.00 0.00 C ATOM 0 H ALA A 114 13.454 -8.378 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 114 16.289 -7.923 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.051 -5.890 -4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.685 -7.343 -5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.361 -6.316 -5.091 1.00 0.00 H new ATOM 1795 N LYS A 115 15.836 -6.036 -1.785 1.00 0.00 N ATOM 1796 CA LYS A 115 15.577 -5.203 -0.622 1.00 0.00 C ATOM 1797 C LYS A 115 15.642 -3.730 -1.031 1.00 0.00 C ATOM 1798 O LYS A 115 15.515 -2.843 -0.188 1.00 0.00 O ATOM 1799 CB LYS A 115 16.526 -5.568 0.520 1.00 0.00 C ATOM 1800 CG LYS A 115 15.790 -6.333 1.622 1.00 0.00 C ATOM 1801 CD LYS A 115 15.855 -7.842 1.379 1.00 0.00 C ATOM 1802 CE LYS A 115 15.086 -8.604 2.460 1.00 0.00 C ATOM 1803 NZ LYS A 115 14.491 -9.838 1.899 1.00 0.00 N ATOM 0 H LYS A 115 16.808 -6.047 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 115 14.572 -5.383 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.346 -6.175 0.136 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.968 -4.662 0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.232 -6.098 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.749 -6.012 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.439 -8.075 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.895 -8.168 1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.756 -8.857 3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.301 -7.970 2.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.972 -10.344 2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.836 -9.589 1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.246 -10.449 1.527 1.00 0.00 H new ATOM 1817 N THR A 116 15.841 -3.516 -2.323 1.00 0.00 N ATOM 1818 CA THR A 116 15.926 -2.165 -2.853 1.00 0.00 C ATOM 1819 C THR A 116 14.640 -1.804 -3.599 1.00 0.00 C ATOM 1820 O THR A 116 13.854 -2.682 -3.950 1.00 0.00 O ATOM 1821 CB THR A 116 17.179 -2.078 -3.726 1.00 0.00 C ATOM 1822 OG1 THR A 116 18.247 -2.383 -2.832 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.475 -0.648 -4.184 1.00 0.00 C ATOM 0 H THR A 116 15.946 -4.255 -3.019 1.00 0.00 H new ATOM 0 HA THR A 116 16.018 -1.431 -2.053 1.00 0.00 H new ATOM 0 HB THR A 116 17.059 -2.722 -4.598 1.00 0.00 H new ATOM 0 HG1 THR A 116 19.098 -2.351 -3.316 1.00 0.00 H new ATOM 0 HG21 THR A 116 18.374 -0.642 -4.800 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.634 -0.271 -4.766 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.628 -0.011 -3.313 1.00 0.00 H new ATOM 1831 N MET A 117 14.465 -0.509 -3.818 1.00 0.00 N ATOM 1832 CA MET A 117 13.288 -0.020 -4.515 1.00 0.00 C ATOM 1833 C MET A 117 13.314 -0.430 -5.989 1.00 0.00 C ATOM 1834 O MET A 117 14.373 -0.743 -6.531 1.00 0.00 O ATOM 1835 CB MET A 117 13.228 1.505 -4.410 1.00 0.00 C ATOM 1836 CG MET A 117 12.532 1.939 -3.118 1.00 0.00 C ATOM 1837 SD MET A 117 10.812 1.463 -3.162 1.00 0.00 S ATOM 1838 CE MET A 117 10.620 0.842 -1.499 1.00 0.00 C ATOM 0 H MET A 117 15.119 0.217 -3.525 1.00 0.00 H new ATOM 0 HA MET A 117 12.405 -0.459 -4.050 1.00 0.00 H new ATOM 0 HB2 MET A 117 14.238 1.915 -4.439 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.694 1.911 -5.269 1.00 0.00 H new ATOM 0 HG2 MET A 117 13.023 1.481 -2.259 1.00 0.00 H new ATOM 0 HG3 MET A 117 12.616 3.019 -2.995 1.00 0.00 H new ATOM 0 HE1 MET A 117 10.073 -0.101 -1.523 1.00 0.00 H new ATOM 0 HE2 MET A 117 11.602 0.681 -1.055 1.00 0.00 H new ATOM 0 HE3 MET A 117 10.067 1.567 -0.902 1.00 0.00 H new ATOM 1848 N SER A 118 12.136 -0.414 -6.596 1.00 0.00 N ATOM 1849 CA SER A 118 12.011 -0.780 -7.996 1.00 0.00 C ATOM 1850 C SER A 118 10.615 -0.421 -8.508 1.00 0.00 C ATOM 1851 O SER A 118 9.715 -0.136 -7.720 1.00 0.00 O ATOM 1852 CB SER A 118 12.285 -2.271 -8.203 1.00 0.00 C ATOM 1853 OG SER A 118 12.870 -2.535 -9.475 1.00 0.00 O ATOM 0 H SER A 118 11.260 -0.153 -6.143 1.00 0.00 H new ATOM 0 HA SER A 118 12.754 -0.220 -8.563 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.949 -2.630 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.352 -2.827 -8.111 1.00 0.00 H new ATOM 0 HG SER A 118 13.031 -3.497 -9.568 1.00 0.00 H new ATOM 1859 N MET A 119 10.477 -0.448 -9.826 1.00 0.00 N ATOM 1860 CA MET A 119 9.206 -0.129 -10.452 1.00 0.00 C ATOM 1861 C MET A 119 8.272 -1.341 -10.445 1.00 0.00 C ATOM 1862 O MET A 119 7.679 -1.678 -11.468 1.00 0.00 O ATOM 1863 CB MET A 119 9.445 0.323 -11.894 1.00 0.00 C ATOM 1864 CG MET A 119 8.242 1.098 -12.433 1.00 0.00 C ATOM 1865 SD MET A 119 8.490 2.850 -12.199 1.00 0.00 S ATOM 1866 CE MET A 119 8.126 2.985 -10.457 1.00 0.00 C ATOM 0 H MET A 119 11.225 -0.686 -10.477 1.00 0.00 H new ATOM 0 HA MET A 119 8.735 0.673 -9.884 1.00 0.00 H new ATOM 0 HB2 MET A 119 10.336 0.950 -11.939 1.00 0.00 H new ATOM 0 HB3 MET A 119 9.634 -0.546 -12.524 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.103 0.880 -13.492 1.00 0.00 H new ATOM 0 HG3 MET A 119 7.334 0.779 -11.921 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.765 3.990 -10.238 1.00 0.00 H new ATOM 0 HE2 MET A 119 7.360 2.257 -10.188 1.00 0.00 H new ATOM 0 HE3 MET A 119 9.030 2.791 -9.880 1.00 0.00 H new ATOM 1876 N SER A 120 8.169 -1.962 -9.279 1.00 0.00 N ATOM 1877 CA SER A 120 7.318 -3.129 -9.125 1.00 0.00 C ATOM 1878 C SER A 120 7.016 -3.364 -7.643 1.00 0.00 C ATOM 1879 O SER A 120 6.775 -4.497 -7.228 1.00 0.00 O ATOM 1880 CB SER A 120 7.968 -4.370 -9.738 1.00 0.00 C ATOM 1881 OG SER A 120 7.370 -4.727 -10.981 1.00 0.00 O ATOM 0 H SER A 120 8.661 -1.678 -8.432 1.00 0.00 H new ATOM 0 HA SER A 120 6.384 -2.943 -9.655 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.032 -4.186 -9.887 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.884 -5.205 -9.042 1.00 0.00 H new ATOM 0 HG SER A 120 7.280 -3.928 -11.542 1.00 0.00 H new ATOM 1887 N VAL A 121 7.038 -2.276 -6.887 1.00 0.00 N ATOM 1888 CA VAL A 121 6.770 -2.351 -5.461 1.00 0.00 C ATOM 1889 C VAL A 121 5.407 -1.721 -5.170 1.00 0.00 C ATOM 1890 O VAL A 121 5.211 -0.526 -5.389 1.00 0.00 O ATOM 1891 CB VAL A 121 7.911 -1.696 -4.680 1.00 0.00 C ATOM 1892 CG1 VAL A 121 7.651 -1.761 -3.173 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.255 -2.335 -5.033 1.00 0.00 C ATOM 0 H VAL A 121 7.237 -1.338 -7.235 1.00 0.00 H new ATOM 0 HA VAL A 121 6.724 -3.390 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 121 7.955 -0.646 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.477 -1.289 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.723 -1.238 -2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.568 -2.803 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.049 -1.851 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.229 -3.397 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.447 -2.213 -6.099 1.00 0.00 H new ATOM 1903 N ASP A 122 4.499 -2.552 -4.679 1.00 0.00 N ATOM 1904 CA ASP A 122 3.160 -2.091 -4.355 1.00 0.00 C ATOM 1905 C ASP A 122 2.941 -2.194 -2.845 1.00 0.00 C ATOM 1906 O ASP A 122 1.812 -2.089 -2.369 1.00 0.00 O ATOM 1907 CB ASP A 122 2.099 -2.951 -5.046 1.00 0.00 C ATOM 1908 CG ASP A 122 1.640 -2.437 -6.412 1.00 0.00 C ATOM 1909 OD1 ASP A 122 2.361 -2.715 -7.395 1.00 0.00 O ATOM 1910 OD2 ASP A 122 0.578 -1.779 -6.443 1.00 0.00 O ATOM 0 H ASP A 122 4.665 -3.542 -4.498 1.00 0.00 H new ATOM 0 HA ASP A 122 3.067 -1.060 -4.696 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.493 -3.960 -5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.230 -3.025 -4.392 1.00 0.00 H new ATOM 1915 N ALA A 123 4.039 -2.399 -2.133 1.00 0.00 N ATOM 1916 CA ALA A 123 3.982 -2.517 -0.686 1.00 0.00 C ATOM 1917 C ALA A 123 5.399 -2.690 -0.136 1.00 0.00 C ATOM 1918 O ALA A 123 6.217 -3.393 -0.727 1.00 0.00 O ATOM 1919 CB ALA A 123 3.063 -3.680 -0.304 1.00 0.00 C ATOM 0 H ALA A 123 4.974 -2.486 -2.531 1.00 0.00 H new ATOM 0 HA ALA A 123 3.565 -1.612 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.020 -3.769 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.062 -3.495 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.452 -4.606 -0.728 1.00 0.00 H new ATOM 1925 N PHE A 124 5.647 -2.036 0.990 1.00 0.00 N ATOM 1926 CA PHE A 124 6.951 -2.108 1.626 1.00 0.00 C ATOM 1927 C PHE A 124 6.832 -1.938 3.142 1.00 0.00 C ATOM 1928 O PHE A 124 5.953 -1.224 3.623 1.00 0.00 O ATOM 1929 CB PHE A 124 7.789 -0.959 1.060 1.00 0.00 C ATOM 1930 CG PHE A 124 7.397 0.419 1.596 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.145 0.903 1.377 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.301 1.161 2.291 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.781 2.183 1.874 1.00 0.00 C ATOM 1934 CE2 PHE A 124 7.937 2.440 2.787 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.685 2.924 2.569 1.00 0.00 C ATOM 0 H PHE A 124 4.966 -1.454 1.478 1.00 0.00 H new ATOM 0 HA PHE A 124 7.407 -3.079 1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 124 8.839 -1.141 1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 124 7.696 -0.955 -0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.427 0.314 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.295 0.777 2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.787 2.567 1.700 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.655 3.029 3.338 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.409 3.897 2.948 1.00 0.00 H new ATOM 1945 N THR A 125 7.729 -2.605 3.853 1.00 0.00 N ATOM 1946 CA THR A 125 7.735 -2.537 5.304 1.00 0.00 C ATOM 1947 C THR A 125 9.098 -2.061 5.810 1.00 0.00 C ATOM 1948 O THR A 125 10.090 -2.780 5.702 1.00 0.00 O ATOM 1949 CB THR A 125 7.333 -3.911 5.844 1.00 0.00 C ATOM 1950 OG1 THR A 125 8.038 -4.830 5.014 1.00 0.00 O ATOM 1951 CG2 THR A 125 5.859 -4.232 5.587 1.00 0.00 C ATOM 0 H THR A 125 8.457 -3.195 3.451 1.00 0.00 H new ATOM 0 HA THR A 125 7.014 -1.805 5.668 1.00 0.00 H new ATOM 0 HB THR A 125 7.533 -3.953 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 125 8.987 -4.586 4.988 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.626 -5.218 5.990 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.233 -3.484 6.074 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.666 -4.223 4.514 1.00 0.00 H new ATOM 1959 N ILE A 126 9.104 -0.851 6.350 1.00 0.00 N ATOM 1960 CA ILE A 126 10.329 -0.270 6.872 1.00 0.00 C ATOM 1961 C ILE A 126 10.855 -1.142 8.014 1.00 0.00 C ATOM 1962 O ILE A 126 10.199 -2.100 8.422 1.00 0.00 O ATOM 1963 CB ILE A 126 10.103 1.190 7.267 1.00 0.00 C ATOM 1964 CG1 ILE A 126 9.139 1.296 8.451 1.00 0.00 C ATOM 1965 CG2 ILE A 126 9.632 2.016 6.069 1.00 0.00 C ATOM 1966 CD1 ILE A 126 9.017 2.744 8.931 1.00 0.00 C ATOM 0 H ILE A 126 8.279 -0.257 6.437 1.00 0.00 H new ATOM 0 HA ILE A 126 11.101 -0.252 6.102 1.00 0.00 H new ATOM 0 HB ILE A 126 11.057 1.607 7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 126 8.158 0.922 8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 126 9.491 0.667 9.268 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.479 3.050 6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.386 1.980 5.283 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.695 1.608 5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.326 2.791 9.773 1.00 0.00 H new ATOM 0 HD12 ILE A 126 9.996 3.107 9.244 1.00 0.00 H new ATOM 0 HD13 ILE A 126 8.642 3.366 8.118 1.00 0.00 H new ATOM 1978 N GLN A 127 12.033 -0.779 8.499 1.00 0.00 N ATOM 1979 CA GLN A 127 12.655 -1.516 9.586 1.00 0.00 C ATOM 1980 C GLN A 127 11.771 -1.466 10.834 1.00 0.00 C ATOM 1981 O GLN A 127 10.703 -0.857 10.819 1.00 0.00 O ATOM 1982 CB GLN A 127 14.055 -0.977 9.884 1.00 0.00 C ATOM 1983 CG GLN A 127 15.109 -1.691 9.035 1.00 0.00 C ATOM 1984 CD GLN A 127 16.058 -2.510 9.912 1.00 0.00 C ATOM 1985 OE1 GLN A 127 15.681 -3.056 10.937 1.00 0.00 O ATOM 1986 NE2 GLN A 127 17.305 -2.566 9.455 1.00 0.00 N ATOM 0 H GLN A 127 12.574 0.016 8.159 1.00 0.00 H new ATOM 0 HA GLN A 127 12.760 -2.557 9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 127 14.086 0.094 9.684 1.00 0.00 H new ATOM 0 HB3 GLN A 127 14.283 -1.111 10.941 1.00 0.00 H new ATOM 0 HG2 GLN A 127 14.618 -2.345 8.315 1.00 0.00 H new ATOM 0 HG3 GLN A 127 15.678 -0.958 8.463 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.553 -2.086 8.590 1.00 0.00 H new ATOM 0 HE22 GLN A 127 18.014 -3.089 9.969 1.00 0.00 H new ATOM 1995 N GLY A 128 12.250 -2.115 11.886 1.00 0.00 N ATOM 1996 CA GLY A 128 11.518 -2.152 13.140 1.00 0.00 C ATOM 1997 C GLY A 128 12.095 -1.150 14.142 1.00 0.00 C ATOM 1998 O GLY A 128 11.367 -0.605 14.970 1.00 0.00 O ATOM 0 H GLY A 128 13.137 -2.619 11.895 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.467 -1.926 12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 128 11.560 -3.157 13.560 1.00 0.00 H new ATOM 2002 N HIS A 129 13.398 -0.938 14.034 1.00 0.00 N ATOM 2003 CA HIS A 129 14.082 -0.011 14.920 1.00 0.00 C ATOM 2004 C HIS A 129 13.522 1.399 14.719 1.00 0.00 C ATOM 2005 O HIS A 129 13.675 2.260 15.584 1.00 0.00 O ATOM 2006 CB HIS A 129 15.597 -0.082 14.717 1.00 0.00 C ATOM 2007 CG HIS A 129 16.052 0.333 13.339 1.00 0.00 C ATOM 2008 ND1 HIS A 129 16.404 -0.580 12.359 1.00 0.00 N ATOM 2009 CD2 HIS A 129 16.208 1.570 12.787 1.00 0.00 C ATOM 2010 CE1 HIS A 129 16.755 0.090 11.271 1.00 0.00 C ATOM 2011 NE2 HIS A 129 16.634 1.422 11.538 1.00 0.00 N ATOM 0 H HIS A 129 13.999 -1.392 13.346 1.00 0.00 H new ATOM 0 HA HIS A 129 13.900 -0.292 15.957 1.00 0.00 H new ATOM 0 HB2 HIS A 129 16.082 0.555 15.456 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.931 -1.102 14.907 1.00 0.00 H new ATOM 0 HD1 HIS A 129 16.395 -1.595 12.458 1.00 0.00 H new ATOM 0 HD2 HIS A 129 16.017 2.511 13.282 1.00 0.00 H new ATOM 0 HE1 HIS A 129 17.080 -0.343 10.336 1.00 0.00 H new ATOM 2019 N LEU A 130 12.886 1.590 13.573 1.00 0.00 N ATOM 2020 CA LEU A 130 12.303 2.881 13.247 1.00 0.00 C ATOM 2021 C LEU A 130 11.240 3.233 14.289 1.00 0.00 C ATOM 2022 O LEU A 130 11.395 4.196 15.038 1.00 0.00 O ATOM 2023 CB LEU A 130 11.781 2.885 11.809 1.00 0.00 C ATOM 2024 CG LEU A 130 12.786 3.295 10.731 1.00 0.00 C ATOM 2025 CD1 LEU A 130 14.208 2.893 11.127 1.00 0.00 C ATOM 2026 CD2 LEU A 130 12.389 2.727 9.367 1.00 0.00 C ATOM 0 H LEU A 130 12.761 0.873 12.858 1.00 0.00 H new ATOM 0 HA LEU A 130 13.061 3.663 13.288 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.414 1.886 11.574 1.00 0.00 H new ATOM 0 HB3 LEU A 130 10.926 3.559 11.756 1.00 0.00 H new ATOM 0 HG LEU A 130 12.770 4.381 10.644 1.00 0.00 H new ATOM 0 HD11 LEU A 130 14.903 3.196 10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 130 14.478 3.384 12.062 1.00 0.00 H new ATOM 0 HD13 LEU A 130 14.257 1.812 11.258 1.00 0.00 H new ATOM 0 HD21 LEU A 130 13.120 3.033 8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 130 12.359 1.639 9.421 1.00 0.00 H new ATOM 0 HD23 LEU A 130 11.405 3.104 9.088 1.00 0.00 H new ATOM 2038 N TRP A 131 10.184 2.433 14.303 1.00 0.00 N ATOM 2039 CA TRP A 131 9.095 2.648 15.241 1.00 0.00 C ATOM 2040 C TRP A 131 9.699 2.823 16.635 1.00 0.00 C ATOM 2041 O TRP A 131 9.630 3.906 17.214 1.00 0.00 O ATOM 2042 CB TRP A 131 8.077 1.508 15.170 1.00 0.00 C ATOM 2043 CG TRP A 131 7.558 1.225 13.759 1.00 0.00 C ATOM 2044 CD1 TRP A 131 7.904 0.224 12.938 1.00 0.00 C ATOM 2045 CD2 TRP A 131 6.578 1.997 13.032 1.00 0.00 C ATOM 2046 NE1 TRP A 131 7.222 0.294 11.740 1.00 0.00 N ATOM 2047 CE2 TRP A 131 6.391 1.406 11.799 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.874 3.156 13.404 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 5.502 1.903 10.838 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 4.990 3.640 12.432 1.00 0.00 C ATOM 2051 CH2 TRP A 131 4.790 3.057 11.186 1.00 0.00 C ATOM 0 H TRP A 131 10.059 1.635 13.680 1.00 0.00 H new ATOM 0 HA TRP A 131 8.540 3.551 14.986 1.00 0.00 H new ATOM 0 HB2 TRP A 131 8.534 0.601 15.567 1.00 0.00 H new ATOM 0 HB3 TRP A 131 7.232 1.748 15.816 1.00 0.00 H new ATOM 0 HD1 TRP A 131 8.626 -0.541 13.183 1.00 0.00 H new ATOM 0 HE1 TRP A 131 7.312 -0.352 10.956 1.00 0.00 H new ATOM 0 HE3 TRP A 131 6.005 3.635 14.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 5.373 1.422 9.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 4.424 4.529 12.667 1.00 0.00 H new ATOM 0 HH2 TRP A 131 4.089 3.492 10.490 1.00 0.00 H new ATOM 2062 N GLN A 132 10.278 1.741 17.135 1.00 0.00 N ATOM 2063 CA GLN A 132 10.895 1.762 18.450 1.00 0.00 C ATOM 2064 C GLN A 132 11.800 2.987 18.594 1.00 0.00 C ATOM 2065 O GLN A 132 12.960 2.958 18.184 1.00 0.00 O ATOM 2066 CB GLN A 132 11.674 0.471 18.711 1.00 0.00 C ATOM 2067 CG GLN A 132 10.820 -0.539 19.481 1.00 0.00 C ATOM 2068 CD GLN A 132 10.934 -0.315 20.990 1.00 0.00 C ATOM 2069 OE1 GLN A 132 11.942 0.142 21.502 1.00 0.00 O ATOM 2070 NE2 GLN A 132 9.846 -0.663 21.672 1.00 0.00 N ATOM 0 H GLN A 132 10.333 0.844 16.653 1.00 0.00 H new ATOM 0 HA GLN A 132 10.105 1.829 19.198 1.00 0.00 H new ATOM 0 HB2 GLN A 132 11.992 0.036 17.763 1.00 0.00 H new ATOM 0 HB3 GLN A 132 12.578 0.696 19.278 1.00 0.00 H new ATOM 0 HG2 GLN A 132 9.778 -0.449 19.174 1.00 0.00 H new ATOM 0 HG3 GLN A 132 11.138 -1.552 19.235 1.00 0.00 H new ATOM 0 HE21 GLN A 132 9.035 -1.040 21.181 1.00 0.00 H new ATOM 0 HE22 GLN A 132 9.823 -0.553 22.686 1.00 0.00 H new ATOM 2079 N SER A 133 11.236 4.035 19.176 1.00 0.00 N ATOM 2080 CA SER A 133 11.978 5.268 19.378 1.00 0.00 C ATOM 2081 C SER A 133 13.400 4.952 19.847 1.00 0.00 C ATOM 2082 O SER A 133 13.589 4.346 20.901 1.00 0.00 O ATOM 2083 CB SER A 133 11.274 6.174 20.390 1.00 0.00 C ATOM 2084 OG SER A 133 10.964 7.451 19.837 1.00 0.00 O ATOM 0 H SER A 133 10.274 4.056 19.514 1.00 0.00 H new ATOM 0 HA SER A 133 12.026 5.799 18.427 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.357 5.694 20.730 1.00 0.00 H new ATOM 0 HB3 SER A 133 11.910 6.303 21.266 1.00 0.00 H new ATOM 0 HG SER A 133 10.514 8.000 20.513 1.00 0.00 H new ATOM 2090 N LYS A 134 14.362 5.378 19.043 1.00 0.00 N ATOM 2091 CA LYS A 134 15.761 5.148 19.362 1.00 0.00 C ATOM 2092 C LYS A 134 16.627 6.142 18.586 1.00 0.00 C ATOM 2093 O LYS A 134 17.300 6.982 19.182 1.00 0.00 O ATOM 2094 CB LYS A 134 16.134 3.685 19.116 1.00 0.00 C ATOM 2095 CG LYS A 134 17.641 3.469 19.271 1.00 0.00 C ATOM 2096 CD LYS A 134 17.935 2.377 20.301 1.00 0.00 C ATOM 2097 CE LYS A 134 19.399 2.422 20.744 1.00 0.00 C ATOM 2098 NZ LYS A 134 19.509 2.976 22.112 1.00 0.00 N ATOM 0 H LYS A 134 14.201 5.881 18.171 1.00 0.00 H new ATOM 0 HA LYS A 134 15.943 5.325 20.422 1.00 0.00 H new ATOM 0 HB2 LYS A 134 15.598 3.046 19.818 1.00 0.00 H new ATOM 0 HB3 LYS A 134 15.822 3.390 18.114 1.00 0.00 H new ATOM 0 HG2 LYS A 134 18.073 3.193 18.309 1.00 0.00 H new ATOM 0 HG3 LYS A 134 18.116 4.401 19.578 1.00 0.00 H new ATOM 0 HD2 LYS A 134 17.285 2.504 21.167 1.00 0.00 H new ATOM 0 HD3 LYS A 134 17.710 1.399 19.874 1.00 0.00 H new ATOM 0 HE2 LYS A 134 19.825 1.419 20.716 1.00 0.00 H new ATOM 0 HE3 LYS A 134 19.977 3.033 20.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 20.509 3.000 22.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 19.121 3.941 22.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 18.974 2.377 22.773 1.00 0.00 H new ATOM 2112 N LYS A 135 16.582 6.015 17.268 1.00 0.00 N ATOM 2113 CA LYS A 135 17.354 6.892 16.405 1.00 0.00 C ATOM 2114 C LYS A 135 17.009 6.595 14.944 1.00 0.00 C ATOM 2115 O LYS A 135 16.396 5.572 14.643 1.00 0.00 O ATOM 2116 CB LYS A 135 18.847 6.775 16.720 1.00 0.00 C ATOM 2117 CG LYS A 135 19.461 8.152 16.982 1.00 0.00 C ATOM 2118 CD LYS A 135 20.818 8.288 16.288 1.00 0.00 C ATOM 2119 CE LYS A 135 21.926 7.637 17.119 1.00 0.00 C ATOM 2120 NZ LYS A 135 23.252 7.920 16.525 1.00 0.00 N ATOM 0 H LYS A 135 16.023 5.318 16.777 1.00 0.00 H new ATOM 0 HA LYS A 135 17.093 7.934 16.589 1.00 0.00 H new ATOM 0 HB2 LYS A 135 18.989 6.137 17.592 1.00 0.00 H new ATOM 0 HB3 LYS A 135 19.362 6.296 15.887 1.00 0.00 H new ATOM 0 HG2 LYS A 135 18.786 8.929 16.624 1.00 0.00 H new ATOM 0 HG3 LYS A 135 19.580 8.303 18.055 1.00 0.00 H new ATOM 0 HD2 LYS A 135 20.775 7.822 15.303 1.00 0.00 H new ATOM 0 HD3 LYS A 135 21.047 9.342 16.132 1.00 0.00 H new ATOM 0 HE2 LYS A 135 21.891 8.013 18.141 1.00 0.00 H new ATOM 0 HE3 LYS A 135 21.766 6.560 17.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 23.993 7.471 17.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 23.287 7.540 15.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 23.409 8.948 16.499 1.00 0.00 H new ATOM 2134 N SER A 136 17.416 7.509 14.076 1.00 0.00 N ATOM 2135 CA SER A 136 17.157 7.358 12.654 1.00 0.00 C ATOM 2136 C SER A 136 18.066 8.295 11.854 1.00 0.00 C ATOM 2137 O SER A 136 18.264 9.447 12.236 1.00 0.00 O ATOM 2138 CB SER A 136 15.689 7.638 12.329 1.00 0.00 C ATOM 2139 OG SER A 136 14.993 6.456 11.942 1.00 0.00 O ATOM 0 H SER A 136 17.923 8.357 14.330 1.00 0.00 H new ATOM 0 HA SER A 136 17.373 6.327 12.375 1.00 0.00 H new ATOM 0 HB2 SER A 136 15.202 8.077 13.200 1.00 0.00 H new ATOM 0 HB3 SER A 136 15.629 8.373 11.526 1.00 0.00 H new ATOM 0 HG SER A 136 15.166 5.746 12.595 1.00 0.00 H new ATOM 2145 N GLY A 137 18.593 7.765 10.761 1.00 0.00 N ATOM 2146 CA GLY A 137 19.475 8.539 9.904 1.00 0.00 C ATOM 2147 C GLY A 137 20.169 7.641 8.877 1.00 0.00 C ATOM 2148 O GLY A 137 20.295 6.436 9.086 1.00 0.00 O ATOM 0 H GLY A 137 18.426 6.808 10.449 1.00 0.00 H new ATOM 0 HA2 GLY A 137 18.903 9.311 9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 137 20.223 9.048 10.511 1.00 0.00 H new ATOM 2152 N PRO A 138 20.613 8.280 7.762 1.00 0.00 N ATOM 2153 CA PRO A 138 21.290 7.553 6.702 1.00 0.00 C ATOM 2154 C PRO A 138 22.722 7.198 7.110 1.00 0.00 C ATOM 2155 O PRO A 138 23.191 7.613 8.169 1.00 0.00 O ATOM 2156 CB PRO A 138 21.228 8.471 5.493 1.00 0.00 C ATOM 2157 CG PRO A 138 20.933 9.859 6.038 1.00 0.00 C ATOM 2158 CD PRO A 138 20.481 9.707 7.481 1.00 0.00 C ATOM 0 HA PRO A 138 20.819 6.595 6.482 1.00 0.00 H new ATOM 0 HB2 PRO A 138 22.170 8.459 4.945 1.00 0.00 H new ATOM 0 HB3 PRO A 138 20.451 8.151 4.799 1.00 0.00 H new ATOM 0 HG2 PRO A 138 21.821 10.488 5.981 1.00 0.00 H new ATOM 0 HG3 PRO A 138 20.159 10.345 5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 138 21.098 10.302 8.154 1.00 0.00 H new ATOM 0 HD3 PRO A 138 19.452 10.043 7.611 1.00 0.00 H new ATOM 2166 N SER A 139 23.376 6.433 6.248 1.00 0.00 N ATOM 2167 CA SER A 139 24.744 6.018 6.505 1.00 0.00 C ATOM 2168 C SER A 139 25.690 6.681 5.502 1.00 0.00 C ATOM 2169 O SER A 139 26.621 7.384 5.892 1.00 0.00 O ATOM 2170 CB SER A 139 24.880 4.495 6.435 1.00 0.00 C ATOM 2171 OG SER A 139 25.792 3.995 7.409 1.00 0.00 O ATOM 0 H SER A 139 22.984 6.090 5.371 1.00 0.00 H new ATOM 0 HA SER A 139 25.013 6.335 7.513 1.00 0.00 H new ATOM 0 HB2 SER A 139 23.902 4.037 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 139 25.218 4.207 5.440 1.00 0.00 H new ATOM 0 HG SER A 139 25.850 3.020 7.333 1.00 0.00 H new ATOM 2177 N SER A 140 25.419 6.434 4.229 1.00 0.00 N ATOM 2178 CA SER A 140 26.234 6.999 3.167 1.00 0.00 C ATOM 2179 C SER A 140 25.420 8.021 2.369 1.00 0.00 C ATOM 2180 O SER A 140 24.200 8.091 2.507 1.00 0.00 O ATOM 2181 CB SER A 140 26.766 5.905 2.240 1.00 0.00 C ATOM 2182 OG SER A 140 28.161 5.680 2.426 1.00 0.00 O ATOM 0 H SER A 140 24.646 5.850 3.909 1.00 0.00 H new ATOM 0 HA SER A 140 27.089 7.500 3.622 1.00 0.00 H new ATOM 0 HB2 SER A 140 26.222 4.978 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 140 26.579 6.185 1.203 1.00 0.00 H new ATOM 0 HG SER A 140 28.462 4.973 1.817 1.00 0.00 H new ATOM 2188 N GLY A 141 26.129 8.786 1.553 1.00 0.00 N ATOM 2189 CA GLY A 141 25.487 9.800 0.733 1.00 0.00 C ATOM 2190 C GLY A 141 25.970 11.201 1.117 1.00 0.00 C ATOM 2191 O GLY A 141 25.170 12.053 1.501 1.00 0.00 O ATOM 0 H GLY A 141 27.141 8.725 1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 141 25.703 9.613 -0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 141 24.405 9.739 0.853 1.00 0.00 H new TER 2195 GLY A 141