USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 696 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 72 CYS SG : rot -120:sc= -0.325 USER MOD Set 1.2: A 75 CYS SG : rot 180:sc= -2.44 USER MOD Set 1.3: A 88 HIS : no HD1:sc= -2.48! C(o=-7.7!,f=-11!) USER MOD Set 1.4: A 89 GLN : amide:sc= -0.12 X(o=-7.7,f=-7.5) USER MOD Set 1.5: A 93 HIS : no HD1:sc= -2.38! K(o=-7.7!,f=-6.6) USER MOD Set 2.1: A 71 THR OG1 : rot 54:sc= 0.701 USER MOD Set 2.2: A 78 THR OG1 : rot -174:sc= 1.1 USER MOD Set 3.1: A 45 CYS SG : rot -15:sc= -2.08 USER MOD Set 3.2: A 48 CYS SG : rot 41:sc= -5.17! USER MOD Set 3.3: A 61 HIS : no HD1:sc= -0.65 K(o=-7.9,f=-15!) USER MOD Set 3.4: A 65 CYS SG : rot 40:sc=-0.00256 USER MOD Set 4.1: A 47 TYR OH : rot 180:sc= 1.03 USER MOD Set 4.2: A 68 LYS NZ :NH3+ 154:sc= 0.573 (180deg=-1.03) USER MOD Set 5.1: A 19 CYS SG : rot 80:sc= -1.42 USER MOD Set 5.2: A 22 CYS SG : rot -39:sc= 0.415 USER MOD Set 5.3: A 35 HIS : no HD1:sc= -0.384 K(o=-2.2,f=-4) USER MOD Set 5.4: A 39 CYS SG : rot -37:sc= -0.794 USER MOD Single : A 2 SER OG : rot -35:sc= 0.00263 USER MOD Single : A 3 SER OG : rot 5:sc= 0.958 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -22:sc= 0.0974 USER MOD Single : A 28 SER OG : rot 25:sc= 1.24 USER MOD Single : A 32 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.3) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -3.09! C(o=-3.1!,f=-5.9!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0795 USER MOD Single : A 58 LYS NZ :NH3+ 143:sc= 0.536 (180deg=-0.681!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 138:sc= -0.094 (180deg=-0.835) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 166:sc= -0.818 (180deg=-1.23) USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0707) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0.048) USER MOD Single : A 95 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.589 K(o=-0.59,f=0.096) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 3.297 -35.085 -36.779 1.00 0.00 N ATOM 9 CA SER A 2 2.842 -34.063 -35.843 1.00 0.00 C ATOM 10 C SER A 2 1.474 -34.422 -35.269 1.00 0.00 C ATOM 11 O SER A 2 0.858 -35.407 -35.674 1.00 0.00 O ATOM 12 CB SER A 2 2.776 -32.700 -36.536 1.00 0.00 C ATOM 13 OG SER A 2 1.744 -32.672 -37.507 1.00 0.00 O ATOM 0 HA SER A 2 3.558 -34.011 -35.023 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.604 -31.919 -35.795 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.733 -32.483 -37.011 1.00 0.00 H new ATOM 0 HG SER A 2 1.675 -33.550 -37.937 1.00 0.00 H new ATOM 19 N SER A 3 1.006 -33.613 -34.324 1.00 0.00 N ATOM 20 CA SER A 3 -0.287 -33.846 -33.691 1.00 0.00 C ATOM 21 C SER A 3 -0.815 -32.568 -33.047 1.00 0.00 C ATOM 22 O SER A 3 -0.044 -31.726 -32.590 1.00 0.00 O ATOM 23 CB SER A 3 -0.171 -34.950 -32.638 1.00 0.00 C ATOM 24 OG SER A 3 0.004 -36.218 -33.246 1.00 0.00 O ATOM 0 H SER A 3 1.502 -32.791 -33.980 1.00 0.00 H new ATOM 0 HA SER A 3 -0.990 -34.161 -34.462 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.671 -34.740 -31.978 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.067 -34.961 -32.018 1.00 0.00 H new ATOM 0 HG SER A 3 0.085 -36.107 -34.216 1.00 0.00 H new ATOM 30 N GLY A 4 -2.137 -32.430 -33.016 1.00 0.00 N ATOM 31 CA GLY A 4 -2.747 -31.253 -32.428 1.00 0.00 C ATOM 32 C GLY A 4 -4.078 -31.557 -31.768 1.00 0.00 C ATOM 33 O GLY A 4 -4.721 -32.557 -32.087 1.00 0.00 O ATOM 0 H GLY A 4 -2.796 -33.113 -33.388 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.068 -30.826 -31.690 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.892 -30.498 -33.201 1.00 0.00 H new ATOM 37 N SER A 5 -4.490 -30.693 -30.846 1.00 0.00 N ATOM 38 CA SER A 5 -5.751 -30.878 -30.136 1.00 0.00 C ATOM 39 C SER A 5 -6.151 -29.603 -29.400 1.00 0.00 C ATOM 40 O SER A 5 -5.310 -28.919 -28.817 1.00 0.00 O ATOM 41 CB SER A 5 -5.637 -32.038 -29.145 1.00 0.00 C ATOM 42 OG SER A 5 -6.864 -32.254 -28.470 1.00 0.00 O ATOM 0 H SER A 5 -3.970 -29.859 -30.573 1.00 0.00 H new ATOM 0 HA SER A 5 -6.523 -31.111 -30.870 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.345 -32.945 -29.674 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.852 -31.825 -28.420 1.00 0.00 H new ATOM 0 HG SER A 5 -6.766 -33.001 -27.844 1.00 0.00 H new ATOM 48 N SER A 6 -7.443 -29.289 -29.433 1.00 0.00 N ATOM 49 CA SER A 6 -7.956 -28.094 -28.773 1.00 0.00 C ATOM 50 C SER A 6 -9.418 -28.278 -28.379 1.00 0.00 C ATOM 51 O SER A 6 -10.146 -29.057 -28.993 1.00 0.00 O ATOM 52 CB SER A 6 -7.812 -26.878 -29.690 1.00 0.00 C ATOM 53 OG SER A 6 -7.805 -25.674 -28.943 1.00 0.00 O ATOM 0 H SER A 6 -8.153 -29.845 -29.910 1.00 0.00 H new ATOM 0 HA SER A 6 -7.371 -27.928 -27.868 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.889 -26.959 -30.264 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.633 -26.860 -30.407 1.00 0.00 H new ATOM 0 HG SER A 6 -7.710 -24.912 -29.552 1.00 0.00 H new ATOM 59 N GLY A 7 -9.842 -27.553 -27.347 1.00 0.00 N ATOM 60 CA GLY A 7 -11.215 -27.649 -26.887 1.00 0.00 C ATOM 61 C GLY A 7 -11.687 -26.382 -26.202 1.00 0.00 C ATOM 62 O GLY A 7 -10.880 -25.528 -25.838 1.00 0.00 O ATOM 0 H GLY A 7 -9.259 -26.901 -26.822 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.865 -27.863 -27.735 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.306 -28.487 -26.196 1.00 0.00 H new ATOM 66 N ALA A 8 -12.999 -26.260 -26.026 1.00 0.00 N ATOM 67 CA ALA A 8 -13.577 -25.088 -25.380 1.00 0.00 C ATOM 68 C ALA A 8 -14.996 -25.371 -24.899 1.00 0.00 C ATOM 69 O ALA A 8 -15.827 -25.879 -25.652 1.00 0.00 O ATOM 70 CB ALA A 8 -13.566 -23.901 -26.331 1.00 0.00 C ATOM 0 H ALA A 8 -13.681 -26.958 -26.322 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.968 -24.846 -24.509 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.001 -23.033 -25.835 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.540 -23.677 -26.621 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.150 -24.141 -27.219 1.00 0.00 H new ATOM 76 N SER A 9 -15.267 -25.039 -23.641 1.00 0.00 N ATOM 77 CA SER A 9 -16.585 -25.262 -23.058 1.00 0.00 C ATOM 78 C SER A 9 -17.174 -23.956 -22.531 1.00 0.00 C ATOM 79 O SER A 9 -16.961 -23.569 -21.382 1.00 0.00 O ATOM 80 CB SER A 9 -16.500 -26.289 -21.928 1.00 0.00 C ATOM 81 OG SER A 9 -17.780 -26.806 -21.611 1.00 0.00 O ATOM 0 H SER A 9 -14.591 -24.615 -23.006 1.00 0.00 H new ATOM 0 HA SER A 9 -17.240 -25.647 -23.840 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.838 -27.104 -22.222 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.062 -25.826 -21.044 1.00 0.00 H new ATOM 0 HG SER A 9 -17.698 -27.461 -20.887 1.00 0.00 H new ATOM 87 N PRO A 10 -17.932 -23.261 -23.391 1.00 0.00 N ATOM 88 CA PRO A 10 -18.567 -21.988 -23.036 1.00 0.00 C ATOM 89 C PRO A 10 -19.700 -22.167 -22.030 1.00 0.00 C ATOM 90 O PRO A 10 -20.817 -22.530 -22.397 1.00 0.00 O ATOM 91 CB PRO A 10 -19.114 -21.480 -24.372 1.00 0.00 C ATOM 92 CG PRO A 10 -19.312 -22.707 -25.193 1.00 0.00 C ATOM 93 CD PRO A 10 -18.227 -23.662 -24.777 1.00 0.00 C ATOM 0 HA PRO A 10 -17.867 -21.302 -22.558 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -20.051 -20.939 -24.236 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -18.416 -20.793 -24.850 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -20.298 -23.137 -25.020 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -19.245 -22.480 -26.257 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -18.561 -24.698 -24.833 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -17.348 -23.575 -25.416 1.00 0.00 H new ATOM 101 N VAL A 11 -19.403 -21.910 -20.760 1.00 0.00 N ATOM 102 CA VAL A 11 -20.397 -22.041 -19.702 1.00 0.00 C ATOM 103 C VAL A 11 -21.353 -20.853 -19.695 1.00 0.00 C ATOM 104 O VAL A 11 -21.066 -19.816 -19.099 1.00 0.00 O ATOM 105 CB VAL A 11 -19.731 -22.157 -18.318 1.00 0.00 C ATOM 106 CG1 VAL A 11 -20.784 -22.259 -17.225 1.00 0.00 C ATOM 107 CG2 VAL A 11 -18.791 -23.352 -18.278 1.00 0.00 C ATOM 0 H VAL A 11 -18.482 -21.610 -20.439 1.00 0.00 H new ATOM 0 HA VAL A 11 -20.957 -22.953 -19.906 1.00 0.00 H new ATOM 0 HB VAL A 11 -19.144 -21.256 -18.140 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -20.294 -22.340 -16.255 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -21.412 -21.369 -17.241 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -21.401 -23.141 -17.395 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -18.329 -23.419 -17.293 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -19.353 -24.264 -18.478 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -18.016 -23.231 -19.035 1.00 0.00 H new ATOM 117 N GLU A 12 -22.491 -21.013 -20.363 1.00 0.00 N ATOM 118 CA GLU A 12 -23.490 -19.953 -20.434 1.00 0.00 C ATOM 119 C GLU A 12 -23.975 -19.568 -19.040 1.00 0.00 C ATOM 120 O GLU A 12 -24.439 -20.414 -18.277 1.00 0.00 O ATOM 121 CB GLU A 12 -24.676 -20.396 -21.294 1.00 0.00 C ATOM 122 CG GLU A 12 -25.267 -21.730 -20.874 1.00 0.00 C ATOM 123 CD GLU A 12 -26.646 -21.967 -21.459 1.00 0.00 C ATOM 124 OE1 GLU A 12 -27.248 -20.999 -21.969 1.00 0.00 O ATOM 125 OE2 GLU A 12 -27.124 -23.120 -21.407 1.00 0.00 O ATOM 0 H GLU A 12 -22.744 -21.866 -20.862 1.00 0.00 H new ATOM 0 HA GLU A 12 -23.024 -19.080 -20.892 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -25.453 -19.633 -21.247 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -24.356 -20.461 -22.334 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -24.600 -22.533 -21.188 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -25.326 -21.771 -19.786 1.00 0.00 H new ATOM 199 N TYR A 17 -19.170 -7.629 -13.894 1.00 0.00 N ATOM 200 CA TYR A 17 -17.901 -6.916 -13.984 1.00 0.00 C ATOM 201 C TYR A 17 -17.178 -6.919 -12.641 1.00 0.00 C ATOM 202 O TYR A 17 -17.591 -6.241 -11.700 1.00 0.00 O ATOM 203 CB TYR A 17 -18.132 -5.477 -14.448 1.00 0.00 C ATOM 204 CG TYR A 17 -18.969 -5.372 -15.703 1.00 0.00 C ATOM 205 CD1 TYR A 17 -19.064 -6.438 -16.590 1.00 0.00 C ATOM 206 CD2 TYR A 17 -19.666 -4.208 -16.002 1.00 0.00 C ATOM 207 CE1 TYR A 17 -19.826 -6.346 -17.738 1.00 0.00 C ATOM 208 CE2 TYR A 17 -20.433 -4.108 -17.147 1.00 0.00 C ATOM 209 CZ TYR A 17 -20.509 -5.179 -18.012 1.00 0.00 C ATOM 210 OH TYR A 17 -21.271 -5.085 -19.154 1.00 0.00 O ATOM 0 HA TYR A 17 -17.276 -7.430 -14.714 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -18.620 -4.920 -13.648 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -17.167 -5.002 -14.624 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -18.533 -7.354 -16.378 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -19.607 -3.366 -15.328 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -19.887 -7.183 -18.418 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -20.970 -3.196 -17.363 1.00 0.00 H new ATOM 0 HH TYR A 17 -21.687 -4.199 -19.198 1.00 0.00 H new ATOM 220 N GLN A 18 -16.096 -7.687 -12.560 1.00 0.00 N ATOM 221 CA GLN A 18 -15.315 -7.778 -11.333 1.00 0.00 C ATOM 222 C GLN A 18 -14.059 -6.917 -11.421 1.00 0.00 C ATOM 223 O GLN A 18 -13.513 -6.707 -12.504 1.00 0.00 O ATOM 224 CB GLN A 18 -14.932 -9.233 -11.055 1.00 0.00 C ATOM 225 CG GLN A 18 -15.918 -9.961 -10.155 1.00 0.00 C ATOM 226 CD GLN A 18 -15.970 -11.450 -10.431 1.00 0.00 C ATOM 227 OE1 GLN A 18 -16.803 -11.921 -11.206 1.00 0.00 O ATOM 228 NE2 GLN A 18 -15.078 -12.202 -9.797 1.00 0.00 N ATOM 0 H GLN A 18 -15.741 -8.255 -13.329 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.930 -7.408 -10.513 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.855 -9.767 -12.002 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.945 -9.258 -10.594 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.642 -9.798 -9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.912 -9.535 -10.292 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.405 -11.770 -9.163 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.065 -13.211 -9.944 1.00 0.00 H new ATOM 237 N CYS A 19 -13.606 -6.422 -10.274 1.00 0.00 N ATOM 238 CA CYS A 19 -12.415 -5.583 -10.221 1.00 0.00 C ATOM 239 C CYS A 19 -11.150 -6.425 -10.355 1.00 0.00 C ATOM 240 O CYS A 19 -11.022 -7.476 -9.727 1.00 0.00 O ATOM 241 CB CYS A 19 -12.380 -4.794 -8.910 1.00 0.00 C ATOM 242 SG CYS A 19 -10.874 -3.793 -8.685 1.00 0.00 S ATOM 0 H CYS A 19 -14.046 -6.588 -9.369 1.00 0.00 H new ATOM 0 HA CYS A 19 -12.455 -4.885 -11.057 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -13.249 -4.137 -8.870 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -12.468 -5.491 -8.076 1.00 0.00 H new ATOM 0 HG CYS A 19 -10.979 -2.692 -9.367 1.00 0.00 H new ATOM 247 N ARG A 20 -10.218 -5.955 -11.178 1.00 0.00 N ATOM 248 CA ARG A 20 -8.963 -6.665 -11.395 1.00 0.00 C ATOM 249 C ARG A 20 -7.962 -6.351 -10.288 1.00 0.00 C ATOM 250 O ARG A 20 -6.752 -6.501 -10.469 1.00 0.00 O ATOM 251 CB ARG A 20 -8.370 -6.291 -12.755 1.00 0.00 C ATOM 252 CG ARG A 20 -9.180 -6.804 -13.935 1.00 0.00 C ATOM 253 CD ARG A 20 -9.070 -8.314 -14.071 1.00 0.00 C ATOM 254 NE ARG A 20 -7.926 -8.709 -14.889 1.00 0.00 N ATOM 255 CZ ARG A 20 -7.953 -8.754 -16.216 1.00 0.00 C ATOM 256 NH1 ARG A 20 -9.059 -8.431 -16.872 1.00 0.00 N ATOM 257 NH2 ARG A 20 -6.871 -9.123 -16.890 1.00 0.00 N ATOM 0 H ARG A 20 -10.308 -5.086 -11.705 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.172 -7.735 -11.379 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.293 -5.206 -12.822 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.357 -6.687 -12.821 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.226 -6.524 -13.809 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.831 -6.329 -14.852 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.979 -8.761 -13.081 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.985 -8.705 -14.515 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.059 -8.964 -14.415 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.893 -8.147 -16.357 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.076 -8.467 -17.891 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.018 -9.372 -16.389 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.892 -9.157 -17.909 1.00 0.00 H new ATOM 271 N LEU A 21 -8.472 -5.915 -9.142 1.00 0.00 N ATOM 272 CA LEU A 21 -7.623 -5.579 -8.004 1.00 0.00 C ATOM 273 C LEU A 21 -8.031 -6.372 -6.767 1.00 0.00 C ATOM 274 O LEU A 21 -7.186 -6.932 -6.068 1.00 0.00 O ATOM 275 CB LEU A 21 -7.699 -4.080 -7.711 1.00 0.00 C ATOM 276 CG LEU A 21 -7.612 -3.153 -8.924 1.00 0.00 C ATOM 277 CD1 LEU A 21 -7.921 -1.719 -8.524 1.00 0.00 C ATOM 278 CD2 LEU A 21 -6.236 -3.245 -9.567 1.00 0.00 C ATOM 0 H LEU A 21 -9.470 -5.786 -8.976 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.596 -5.842 -8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.636 -3.879 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.893 -3.823 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.355 -3.472 -9.655 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.854 -1.074 -9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.928 -1.666 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.203 -1.388 -7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.192 -2.579 -10.429 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.476 -2.953 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.053 -4.270 -9.891 1.00 0.00 H new ATOM 290 N CYS A 22 -9.333 -6.418 -6.503 1.00 0.00 N ATOM 291 CA CYS A 22 -9.855 -7.144 -5.351 1.00 0.00 C ATOM 292 C CYS A 22 -10.868 -8.198 -5.786 1.00 0.00 C ATOM 293 O CYS A 22 -11.296 -9.029 -4.987 1.00 0.00 O ATOM 294 CB CYS A 22 -10.505 -6.174 -4.362 1.00 0.00 C ATOM 295 SG CYS A 22 -11.765 -5.088 -5.105 1.00 0.00 S ATOM 0 H CYS A 22 -10.046 -5.961 -7.072 1.00 0.00 H new ATOM 0 HA CYS A 22 -9.021 -7.647 -4.862 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -10.964 -6.747 -3.556 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.728 -5.556 -3.912 1.00 0.00 H new ATOM 0 HG CYS A 22 -11.373 -4.714 -6.287 1.00 0.00 H new ATOM 300 N ASN A 23 -11.246 -8.158 -7.060 1.00 0.00 N ATOM 301 CA ASN A 23 -12.209 -9.109 -7.602 1.00 0.00 C ATOM 302 C ASN A 23 -13.579 -8.923 -6.959 1.00 0.00 C ATOM 303 O ASN A 23 -14.208 -9.886 -6.523 1.00 0.00 O ATOM 304 CB ASN A 23 -11.720 -10.542 -7.382 1.00 0.00 C ATOM 305 CG ASN A 23 -10.358 -10.791 -8.000 1.00 0.00 C ATOM 306 OD1 ASN A 23 -9.326 -10.548 -7.375 1.00 0.00 O ATOM 307 ND2 ASN A 23 -10.350 -11.277 -9.236 1.00 0.00 N ATOM 0 H ASN A 23 -10.900 -7.477 -7.736 1.00 0.00 H new ATOM 0 HA ASN A 23 -12.302 -8.924 -8.672 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.673 -10.746 -6.312 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.442 -11.239 -7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.464 -11.464 -9.705 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.230 -11.464 -9.716 1.00 0.00 H new ATOM 314 N ALA A 24 -14.037 -7.676 -6.905 1.00 0.00 N ATOM 315 CA ALA A 24 -15.334 -7.363 -6.318 1.00 0.00 C ATOM 316 C ALA A 24 -16.377 -7.104 -7.400 1.00 0.00 C ATOM 317 O ALA A 24 -16.213 -6.215 -8.236 1.00 0.00 O ATOM 318 CB ALA A 24 -15.218 -6.160 -5.395 1.00 0.00 C ATOM 0 H ALA A 24 -13.529 -6.866 -7.261 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.660 -8.224 -5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.194 -5.937 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -14.510 -6.381 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.867 -5.298 -5.963 1.00 0.00 H new ATOM 324 N LYS A 25 -17.451 -7.886 -7.378 1.00 0.00 N ATOM 325 CA LYS A 25 -18.523 -7.742 -8.356 1.00 0.00 C ATOM 326 C LYS A 25 -19.088 -6.325 -8.340 1.00 0.00 C ATOM 327 O LYS A 25 -19.568 -5.849 -7.310 1.00 0.00 O ATOM 328 CB LYS A 25 -19.639 -8.750 -8.073 1.00 0.00 C ATOM 329 CG LYS A 25 -19.276 -10.179 -8.438 1.00 0.00 C ATOM 330 CD LYS A 25 -20.443 -11.126 -8.215 1.00 0.00 C ATOM 331 CE LYS A 25 -20.047 -12.570 -8.480 1.00 0.00 C ATOM 332 NZ LYS A 25 -21.206 -13.390 -8.927 1.00 0.00 N ATOM 0 H LYS A 25 -17.602 -8.627 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.107 -7.938 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.895 -8.708 -7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.530 -8.458 -8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.967 -10.221 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.424 -10.503 -7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.802 -11.028 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.269 -10.848 -8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -19.267 -12.599 -9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.624 -13.003 -7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.895 -14.368 -9.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.940 -13.384 -8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.594 -12.992 -9.806 1.00 0.00 H new ATOM 346 N LEU A 26 -19.027 -5.656 -9.486 1.00 0.00 N ATOM 347 CA LEU A 26 -19.534 -4.293 -9.604 1.00 0.00 C ATOM 348 C LEU A 26 -21.017 -4.293 -9.963 1.00 0.00 C ATOM 349 O LEU A 26 -21.653 -5.345 -10.015 1.00 0.00 O ATOM 350 CB LEU A 26 -18.741 -3.523 -10.661 1.00 0.00 C ATOM 351 CG LEU A 26 -17.481 -2.812 -10.168 1.00 0.00 C ATOM 352 CD1 LEU A 26 -17.774 -2.019 -8.904 1.00 0.00 C ATOM 353 CD2 LEU A 26 -16.363 -3.815 -9.924 1.00 0.00 C ATOM 0 H LEU A 26 -18.632 -6.035 -10.347 1.00 0.00 H new ATOM 0 HA LEU A 26 -19.413 -3.801 -8.639 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -18.456 -4.218 -11.451 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -19.400 -2.781 -11.112 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.155 -2.116 -10.941 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -16.865 -1.520 -8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.541 -1.273 -9.112 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.126 -2.694 -8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.474 -3.291 -9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.679 -4.536 -9.171 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.134 -4.337 -10.853 1.00 0.00 H new ATOM 365 N SER A 27 -21.560 -3.105 -10.212 1.00 0.00 N ATOM 366 CA SER A 27 -22.968 -2.967 -10.565 1.00 0.00 C ATOM 367 C SER A 27 -23.125 -2.603 -12.038 1.00 0.00 C ATOM 368 O SER A 27 -24.215 -2.707 -12.602 1.00 0.00 O ATOM 369 CB SER A 27 -23.633 -1.902 -9.691 1.00 0.00 C ATOM 370 OG SER A 27 -25.030 -1.851 -9.923 1.00 0.00 O ATOM 0 H SER A 27 -21.046 -2.225 -10.176 1.00 0.00 H new ATOM 0 HA SER A 27 -23.456 -3.926 -10.391 1.00 0.00 H new ATOM 0 HB2 SER A 27 -23.444 -2.120 -8.640 1.00 0.00 H new ATOM 0 HB3 SER A 27 -23.191 -0.928 -9.900 1.00 0.00 H new ATOM 0 HG SER A 27 -25.229 -2.226 -10.806 1.00 0.00 H new ATOM 376 N SER A 28 -22.029 -2.176 -12.656 1.00 0.00 N ATOM 377 CA SER A 28 -22.044 -1.792 -14.063 1.00 0.00 C ATOM 378 C SER A 28 -20.642 -1.429 -14.543 1.00 0.00 C ATOM 379 O SER A 28 -19.728 -1.238 -13.739 1.00 0.00 O ATOM 380 CB SER A 28 -22.992 -0.611 -14.281 1.00 0.00 C ATOM 381 OG SER A 28 -24.321 -1.056 -14.493 1.00 0.00 O ATOM 0 H SER A 28 -21.119 -2.087 -12.205 1.00 0.00 H new ATOM 0 HA SER A 28 -22.398 -2.645 -14.643 1.00 0.00 H new ATOM 0 HB2 SER A 28 -22.960 0.050 -13.415 1.00 0.00 H new ATOM 0 HB3 SER A 28 -22.659 -0.027 -15.139 1.00 0.00 H new ATOM 0 HG SER A 28 -24.441 -1.937 -14.081 1.00 0.00 H new ATOM 387 N LEU A 29 -20.480 -1.336 -15.858 1.00 0.00 N ATOM 388 CA LEU A 29 -19.189 -0.996 -16.447 1.00 0.00 C ATOM 389 C LEU A 29 -18.587 0.230 -15.768 1.00 0.00 C ATOM 390 O LEU A 29 -17.398 0.253 -15.446 1.00 0.00 O ATOM 391 CB LEU A 29 -19.343 -0.738 -17.947 1.00 0.00 C ATOM 392 CG LEU A 29 -18.129 -1.073 -18.814 1.00 0.00 C ATOM 393 CD1 LEU A 29 -17.890 -2.575 -18.840 1.00 0.00 C ATOM 394 CD2 LEU A 29 -18.317 -0.537 -20.225 1.00 0.00 C ATOM 0 H LEU A 29 -21.226 -1.491 -16.537 1.00 0.00 H new ATOM 0 HA LEU A 29 -18.515 -1.839 -16.297 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -20.193 -1.316 -18.309 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -19.588 0.314 -18.091 1.00 0.00 H new ATOM 0 HG LEU A 29 -17.252 -0.594 -18.379 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -17.022 -2.795 -19.462 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -17.710 -2.932 -17.826 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -18.767 -3.076 -19.251 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -17.443 -0.785 -20.828 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -19.204 -0.987 -20.670 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -18.438 0.546 -20.190 1.00 0.00 H new ATOM 406 N LEU A 30 -19.414 1.246 -15.551 1.00 0.00 N ATOM 407 CA LEU A 30 -18.964 2.475 -14.907 1.00 0.00 C ATOM 408 C LEU A 30 -18.358 2.183 -13.538 1.00 0.00 C ATOM 409 O LEU A 30 -17.195 2.494 -13.286 1.00 0.00 O ATOM 410 CB LEU A 30 -20.130 3.455 -14.763 1.00 0.00 C ATOM 411 CG LEU A 30 -19.768 4.940 -14.805 1.00 0.00 C ATOM 412 CD1 LEU A 30 -19.337 5.345 -16.206 1.00 0.00 C ATOM 413 CD2 LEU A 30 -20.942 5.789 -14.340 1.00 0.00 C ATOM 0 H LEU A 30 -20.400 1.243 -15.812 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.195 2.924 -15.535 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.848 3.254 -15.558 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -20.635 3.251 -13.819 1.00 0.00 H new ATOM 0 HG LEU A 30 -18.932 5.109 -14.127 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -19.083 6.405 -16.216 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -18.466 4.760 -16.502 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -20.152 5.160 -16.905 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -20.666 6.843 -14.377 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -21.798 5.615 -14.992 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -21.205 5.518 -13.317 1.00 0.00 H new ATOM 425 N GLU A 31 -19.155 1.582 -12.660 1.00 0.00 N ATOM 426 CA GLU A 31 -18.696 1.247 -11.318 1.00 0.00 C ATOM 427 C GLU A 31 -17.306 0.618 -11.359 1.00 0.00 C ATOM 428 O GLU A 31 -16.514 0.778 -10.432 1.00 0.00 O ATOM 429 CB GLU A 31 -19.681 0.291 -10.642 1.00 0.00 C ATOM 430 CG GLU A 31 -19.841 0.536 -9.151 1.00 0.00 C ATOM 431 CD GLU A 31 -20.863 1.612 -8.843 1.00 0.00 C ATOM 432 OE1 GLU A 31 -22.074 1.330 -8.952 1.00 0.00 O ATOM 433 OE2 GLU A 31 -20.451 2.738 -8.492 1.00 0.00 O ATOM 0 H GLU A 31 -20.121 1.318 -12.854 1.00 0.00 H new ATOM 0 HA GLU A 31 -18.641 2.169 -10.740 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -20.654 0.385 -11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -19.345 -0.734 -10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.139 -0.393 -8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -18.878 0.823 -8.728 1.00 0.00 H new ATOM 440 N GLN A 32 -17.020 -0.099 -12.441 1.00 0.00 N ATOM 441 CA GLN A 32 -15.727 -0.754 -12.603 1.00 0.00 C ATOM 442 C GLN A 32 -14.633 0.268 -12.895 1.00 0.00 C ATOM 443 O GLN A 32 -13.609 0.307 -12.214 1.00 0.00 O ATOM 444 CB GLN A 32 -15.792 -1.785 -13.731 1.00 0.00 C ATOM 445 CG GLN A 32 -14.632 -2.768 -13.724 1.00 0.00 C ATOM 446 CD GLN A 32 -14.686 -3.743 -14.883 1.00 0.00 C ATOM 447 OE1 GLN A 32 -15.454 -3.560 -15.828 1.00 0.00 O ATOM 448 NE2 GLN A 32 -13.870 -4.788 -14.816 1.00 0.00 N ATOM 0 H GLN A 32 -17.665 -0.241 -13.218 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.485 -1.262 -11.669 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.727 -2.339 -13.652 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -15.810 -1.264 -14.688 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.693 -2.216 -13.762 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -14.637 -3.324 -12.786 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.250 -4.900 -14.014 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.863 -5.479 -15.567 1.00 0.00 H new ATOM 457 N GLY A 33 -14.856 1.093 -13.913 1.00 0.00 N ATOM 458 CA GLY A 33 -13.880 2.103 -14.277 1.00 0.00 C ATOM 459 C GLY A 33 -13.648 3.112 -13.170 1.00 0.00 C ATOM 460 O GLY A 33 -12.575 3.707 -13.077 1.00 0.00 O ATOM 0 H GLY A 33 -15.695 1.080 -14.492 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.936 1.618 -14.526 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.217 2.623 -15.173 1.00 0.00 H new ATOM 464 N SER A 34 -14.658 3.306 -12.328 1.00 0.00 N ATOM 465 CA SER A 34 -14.562 4.254 -11.224 1.00 0.00 C ATOM 466 C SER A 34 -13.994 3.581 -9.978 1.00 0.00 C ATOM 467 O SER A 34 -13.093 4.112 -9.328 1.00 0.00 O ATOM 468 CB SER A 34 -15.936 4.851 -10.915 1.00 0.00 C ATOM 469 OG SER A 34 -16.191 5.990 -11.719 1.00 0.00 O ATOM 0 H SER A 34 -15.552 2.819 -12.389 1.00 0.00 H new ATOM 0 HA SER A 34 -13.886 5.055 -11.523 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.708 4.101 -11.086 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.987 5.127 -9.862 1.00 0.00 H new ATOM 0 HG SER A 34 -17.076 6.351 -11.503 1.00 0.00 H new ATOM 475 N HIS A 35 -14.529 2.409 -9.651 1.00 0.00 N ATOM 476 CA HIS A 35 -14.076 1.662 -8.483 1.00 0.00 C ATOM 477 C HIS A 35 -12.572 1.414 -8.546 1.00 0.00 C ATOM 478 O HIS A 35 -11.936 1.145 -7.528 1.00 0.00 O ATOM 479 CB HIS A 35 -14.821 0.330 -8.383 1.00 0.00 C ATOM 480 CG HIS A 35 -14.208 -0.628 -7.409 1.00 0.00 C ATOM 481 ND1 HIS A 35 -14.623 -0.738 -6.099 1.00 0.00 N ATOM 482 CD2 HIS A 35 -13.205 -1.524 -7.561 1.00 0.00 C ATOM 483 CE1 HIS A 35 -13.901 -1.659 -5.487 1.00 0.00 C ATOM 484 NE2 HIS A 35 -13.033 -2.152 -6.352 1.00 0.00 N ATOM 0 H HIS A 35 -15.276 1.956 -10.178 1.00 0.00 H new ATOM 0 HA HIS A 35 -14.291 2.258 -7.596 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -15.853 0.522 -8.090 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -14.850 -0.135 -9.368 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.644 -1.710 -8.465 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.003 -1.958 -4.454 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.347 -2.880 -6.154 1.00 0.00 H new ATOM 492 N GLU A 36 -12.012 1.505 -9.748 1.00 0.00 N ATOM 493 CA GLU A 36 -10.583 1.289 -9.943 1.00 0.00 C ATOM 494 C GLU A 36 -9.787 2.531 -9.554 1.00 0.00 C ATOM 495 O GLU A 36 -8.588 2.454 -9.286 1.00 0.00 O ATOM 496 CB GLU A 36 -10.295 0.920 -11.400 1.00 0.00 C ATOM 497 CG GLU A 36 -10.432 -0.565 -11.690 1.00 0.00 C ATOM 498 CD GLU A 36 -9.505 -1.032 -12.795 1.00 0.00 C ATOM 499 OE1 GLU A 36 -8.275 -0.879 -12.640 1.00 0.00 O ATOM 500 OE2 GLU A 36 -10.008 -1.549 -13.814 1.00 0.00 O ATOM 0 H GLU A 36 -12.526 1.727 -10.601 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.275 0.465 -9.299 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.976 1.472 -12.047 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.284 1.240 -11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.222 -1.130 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.463 -0.783 -11.969 1.00 0.00 H new ATOM 507 N ARG A 37 -10.462 3.675 -9.527 1.00 0.00 N ATOM 508 CA ARG A 37 -9.818 4.934 -9.173 1.00 0.00 C ATOM 509 C ARG A 37 -9.567 5.013 -7.670 1.00 0.00 C ATOM 510 O ARG A 37 -8.496 5.434 -7.230 1.00 0.00 O ATOM 511 CB ARG A 37 -10.682 6.116 -9.618 1.00 0.00 C ATOM 512 CG ARG A 37 -10.396 6.578 -11.038 1.00 0.00 C ATOM 513 CD ARG A 37 -11.285 7.746 -11.433 1.00 0.00 C ATOM 514 NE ARG A 37 -11.105 8.123 -12.832 1.00 0.00 N ATOM 515 CZ ARG A 37 -11.439 9.311 -13.323 1.00 0.00 C ATOM 516 NH1 ARG A 37 -11.968 10.234 -12.531 1.00 0.00 N ATOM 517 NH2 ARG A 37 -11.244 9.579 -14.608 1.00 0.00 N ATOM 0 H ARG A 37 -11.455 3.756 -9.746 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.858 4.979 -9.688 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.733 5.837 -9.540 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.522 6.950 -8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.350 6.871 -11.123 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.552 5.750 -11.730 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.328 7.482 -11.260 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.063 8.602 -10.796 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.700 7.436 -13.468 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.119 10.032 -11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.224 11.146 -12.910 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.837 8.872 -15.220 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.501 10.492 -14.983 1.00 0.00 H new ATOM 531 N LEU A 38 -10.559 4.604 -6.887 1.00 0.00 N ATOM 532 CA LEU A 38 -10.446 4.628 -5.433 1.00 0.00 C ATOM 533 C LEU A 38 -9.772 3.361 -4.918 1.00 0.00 C ATOM 534 O LEU A 38 -9.113 3.373 -3.877 1.00 0.00 O ATOM 535 CB LEU A 38 -11.829 4.778 -4.796 1.00 0.00 C ATOM 536 CG LEU A 38 -12.995 4.165 -5.572 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.046 3.621 -4.616 1.00 0.00 C ATOM 538 CD2 LEU A 38 -13.608 5.191 -6.514 1.00 0.00 C ATOM 0 H LEU A 38 -11.451 4.252 -7.235 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.830 5.484 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.801 4.326 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.030 5.840 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.613 3.337 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.868 3.189 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.600 2.853 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.424 4.431 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.436 4.737 -7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.975 6.041 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.853 5.532 -7.222 1.00 0.00 H new ATOM 550 N CYS A 39 -9.939 2.267 -5.654 1.00 0.00 N ATOM 551 CA CYS A 39 -9.345 0.991 -5.274 1.00 0.00 C ATOM 552 C CYS A 39 -7.865 0.949 -5.641 1.00 0.00 C ATOM 553 O CYS A 39 -7.199 -0.071 -5.462 1.00 0.00 O ATOM 554 CB CYS A 39 -10.084 -0.162 -5.956 1.00 0.00 C ATOM 555 SG CYS A 39 -9.483 -1.815 -5.481 1.00 0.00 S ATOM 0 H CYS A 39 -10.481 2.239 -6.517 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.436 0.884 -4.193 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.145 -0.091 -5.718 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.992 -0.050 -7.036 1.00 0.00 H new ATOM 0 HG CYS A 39 -8.193 -1.780 -5.327 1.00 0.00 H new ATOM 560 N ARG A 40 -7.356 2.063 -6.156 1.00 0.00 N ATOM 561 CA ARG A 40 -5.956 2.154 -6.550 1.00 0.00 C ATOM 562 C ARG A 40 -5.208 3.156 -5.674 1.00 0.00 C ATOM 563 O ARG A 40 -4.031 2.971 -5.369 1.00 0.00 O ATOM 564 CB ARG A 40 -5.842 2.561 -8.020 1.00 0.00 C ATOM 565 CG ARG A 40 -5.964 1.394 -8.987 1.00 0.00 C ATOM 566 CD ARG A 40 -6.010 1.869 -10.430 1.00 0.00 C ATOM 567 NE ARG A 40 -4.689 2.246 -10.925 1.00 0.00 N ATOM 568 CZ ARG A 40 -4.495 3.081 -11.941 1.00 0.00 C ATOM 569 NH1 ARG A 40 -5.532 3.622 -12.565 1.00 0.00 N ATOM 570 NH2 ARG A 40 -3.262 3.375 -12.333 1.00 0.00 N ATOM 0 H ARG A 40 -7.893 2.916 -6.310 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.503 1.172 -6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.618 3.292 -8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.883 3.054 -8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.119 0.718 -8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.866 0.826 -8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.421 1.079 -11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.684 2.722 -10.509 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.870 1.847 -10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.481 3.398 -12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.381 4.262 -13.344 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.462 2.960 -11.855 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.114 4.016 -13.113 1.00 0.00 H new ATOM 584 N ASN A 41 -5.902 4.217 -5.274 1.00 0.00 N ATOM 585 CA ASN A 41 -5.304 5.249 -4.435 1.00 0.00 C ATOM 586 C ASN A 41 -5.569 4.970 -2.958 1.00 0.00 C ATOM 587 O ASN A 41 -4.798 5.379 -2.091 1.00 0.00 O ATOM 588 CB ASN A 41 -5.855 6.625 -4.812 1.00 0.00 C ATOM 589 CG ASN A 41 -7.202 6.903 -4.174 1.00 0.00 C ATOM 590 OD1 ASN A 41 -7.338 6.881 -2.950 1.00 0.00 O ATOM 591 ND2 ASN A 41 -8.206 7.167 -5.002 1.00 0.00 N ATOM 0 H ASN A 41 -6.878 4.384 -5.517 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.227 5.238 -4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.145 7.394 -4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.949 6.691 -5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.136 7.362 -4.630 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.048 7.175 -6.010 1.00 0.00 H new ATOM 598 N ALA A 42 -6.664 4.270 -2.681 1.00 0.00 N ATOM 599 CA ALA A 42 -7.029 3.934 -1.311 1.00 0.00 C ATOM 600 C ALA A 42 -5.790 3.671 -0.461 1.00 0.00 C ATOM 601 O ALA A 42 -5.618 4.267 0.602 1.00 0.00 O ATOM 602 CB ALA A 42 -7.950 2.723 -1.292 1.00 0.00 C ATOM 0 H ALA A 42 -7.314 3.925 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.557 4.786 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.215 2.483 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.855 2.945 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.441 1.871 -1.743 1.00 0.00 H new ATOM 608 N ALA A 43 -4.931 2.776 -0.936 1.00 0.00 N ATOM 609 CA ALA A 43 -3.708 2.436 -0.221 1.00 0.00 C ATOM 610 C ALA A 43 -2.523 2.336 -1.175 1.00 0.00 C ATOM 611 O ALA A 43 -2.402 1.372 -1.932 1.00 0.00 O ATOM 612 CB ALA A 43 -3.887 1.130 0.540 1.00 0.00 C ATOM 0 H ALA A 43 -5.060 2.273 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.500 3.234 0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.965 0.888 1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.701 1.236 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.123 0.330 -0.161 1.00 0.00 H new ATOM 618 N VAL A 44 -1.651 3.338 -1.136 1.00 0.00 N ATOM 619 CA VAL A 44 -0.475 3.363 -1.998 1.00 0.00 C ATOM 620 C VAL A 44 0.804 3.485 -1.178 1.00 0.00 C ATOM 621 O VAL A 44 1.146 4.565 -0.696 1.00 0.00 O ATOM 622 CB VAL A 44 -0.540 4.527 -3.004 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.694 4.536 -3.893 1.00 0.00 C ATOM 624 CG2 VAL A 44 -1.809 4.439 -3.839 1.00 0.00 C ATOM 0 H VAL A 44 -1.737 4.144 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.464 2.421 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.563 5.464 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.629 5.366 -4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.586 4.652 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.753 3.597 -4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.839 5.269 -4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.819 3.497 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.679 4.488 -3.185 1.00 0.00 H new ATOM 634 N CYS A 45 1.510 2.369 -1.024 1.00 0.00 N ATOM 635 CA CYS A 45 2.753 2.349 -0.262 1.00 0.00 C ATOM 636 C CYS A 45 3.782 3.294 -0.876 1.00 0.00 C ATOM 637 O CYS A 45 4.187 3.146 -2.029 1.00 0.00 O ATOM 638 CB CYS A 45 3.318 0.929 -0.206 1.00 0.00 C ATOM 639 SG CYS A 45 4.697 0.723 0.968 1.00 0.00 S ATOM 0 H CYS A 45 1.242 1.467 -1.417 1.00 0.00 H new ATOM 0 HA CYS A 45 2.535 2.686 0.751 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.517 0.241 0.066 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.657 0.645 -1.202 1.00 0.00 H new ATOM 0 HG CYS A 45 5.160 1.891 1.303 1.00 0.00 H new ATOM 644 N PRO A 46 4.216 4.289 -0.088 1.00 0.00 N ATOM 645 CA PRO A 46 5.204 5.277 -0.532 1.00 0.00 C ATOM 646 C PRO A 46 6.594 4.672 -0.700 1.00 0.00 C ATOM 647 O PRO A 46 7.564 5.384 -0.960 1.00 0.00 O ATOM 648 CB PRO A 46 5.204 6.311 0.597 1.00 0.00 C ATOM 649 CG PRO A 46 4.747 5.559 1.799 1.00 0.00 C ATOM 650 CD PRO A 46 3.777 4.525 1.297 1.00 0.00 C ATOM 0 HA PRO A 46 4.955 5.692 -1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.198 6.732 0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.536 7.142 0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.588 5.090 2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.270 6.225 2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.818 3.613 1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.749 4.886 1.337 1.00 0.00 H new ATOM 658 N TYR A 47 6.683 3.355 -0.552 1.00 0.00 N ATOM 659 CA TYR A 47 7.954 2.655 -0.685 1.00 0.00 C ATOM 660 C TYR A 47 8.044 1.940 -2.030 1.00 0.00 C ATOM 661 O TYR A 47 8.938 2.210 -2.832 1.00 0.00 O ATOM 662 CB TYR A 47 8.129 1.648 0.453 1.00 0.00 C ATOM 663 CG TYR A 47 8.070 2.274 1.829 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.789 3.426 2.121 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.296 1.712 2.836 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.739 4.000 3.376 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.239 2.280 4.094 1.00 0.00 C ATOM 668 CZ TYR A 47 7.962 3.424 4.359 1.00 0.00 C ATOM 669 OH TYR A 47 7.909 3.993 5.611 1.00 0.00 O ATOM 0 H TYR A 47 5.889 2.751 -0.340 1.00 0.00 H new ATOM 0 HA TYR A 47 8.753 3.394 -0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.353 0.886 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.086 1.141 0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.398 3.881 1.353 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.729 0.816 2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.305 4.895 3.587 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.632 1.831 4.866 1.00 0.00 H new ATOM 0 HH TYR A 47 7.316 3.465 6.185 1.00 0.00 H new ATOM 679 N CYS A 48 7.110 1.025 -2.269 1.00 0.00 N ATOM 680 CA CYS A 48 7.081 0.269 -3.515 1.00 0.00 C ATOM 681 C CYS A 48 5.941 0.744 -4.413 1.00 0.00 C ATOM 682 O CYS A 48 5.713 0.192 -5.489 1.00 0.00 O ATOM 683 CB CYS A 48 6.928 -1.225 -3.227 1.00 0.00 C ATOM 684 SG CYS A 48 5.519 -1.633 -2.146 1.00 0.00 S ATOM 0 H CYS A 48 6.363 0.789 -1.616 1.00 0.00 H new ATOM 0 HA CYS A 48 8.025 0.437 -4.034 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.813 -1.756 -4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.845 -1.591 -2.765 1.00 0.00 H new ATOM 0 HG CYS A 48 4.493 -0.908 -2.479 1.00 0.00 H new ATOM 689 N SER A 49 5.229 1.772 -3.962 1.00 0.00 N ATOM 690 CA SER A 49 4.111 2.319 -4.721 1.00 0.00 C ATOM 691 C SER A 49 3.094 1.231 -5.051 1.00 0.00 C ATOM 692 O SER A 49 2.684 1.076 -6.202 1.00 0.00 O ATOM 693 CB SER A 49 4.614 2.971 -6.011 1.00 0.00 C ATOM 694 OG SER A 49 4.914 4.341 -5.807 1.00 0.00 O ATOM 0 H SER A 49 5.407 2.243 -3.075 1.00 0.00 H new ATOM 0 HA SER A 49 3.622 3.075 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.504 2.449 -6.363 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.858 2.873 -6.790 1.00 0.00 H new ATOM 0 HG SER A 49 5.235 4.734 -6.645 1.00 0.00 H new ATOM 700 N LEU A 50 2.690 0.480 -4.033 1.00 0.00 N ATOM 701 CA LEU A 50 1.720 -0.595 -4.212 1.00 0.00 C ATOM 702 C LEU A 50 0.302 -0.039 -4.300 1.00 0.00 C ATOM 703 O LEU A 50 0.100 1.175 -4.305 1.00 0.00 O ATOM 704 CB LEU A 50 1.817 -1.594 -3.058 1.00 0.00 C ATOM 705 CG LEU A 50 2.728 -2.801 -3.291 1.00 0.00 C ATOM 706 CD1 LEU A 50 3.061 -3.480 -1.972 1.00 0.00 C ATOM 707 CD2 LEU A 50 2.075 -3.785 -4.250 1.00 0.00 C ATOM 0 H LEU A 50 3.019 0.595 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 50 1.949 -1.106 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.169 -1.064 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.814 -1.958 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 50 3.657 -2.450 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.710 -4.336 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.571 -2.773 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.141 -3.818 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.737 -4.637 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.131 -4.131 -3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.889 -3.293 -5.205 1.00 0.00 H new ATOM 719 N ARG A 51 -0.676 -0.936 -4.367 1.00 0.00 N ATOM 720 CA ARG A 51 -2.076 -0.536 -4.454 1.00 0.00 C ATOM 721 C ARG A 51 -2.986 -1.614 -3.874 1.00 0.00 C ATOM 722 O ARG A 51 -3.203 -2.657 -4.491 1.00 0.00 O ATOM 723 CB ARG A 51 -2.459 -0.258 -5.909 1.00 0.00 C ATOM 724 CG ARG A 51 -1.804 0.988 -6.484 1.00 0.00 C ATOM 725 CD ARG A 51 -2.268 1.254 -7.907 1.00 0.00 C ATOM 726 NE ARG A 51 -1.240 1.921 -8.702 1.00 0.00 N ATOM 727 CZ ARG A 51 -0.251 1.278 -9.313 1.00 0.00 C ATOM 728 NH1 ARG A 51 -0.157 -0.041 -9.222 1.00 0.00 N ATOM 729 NH2 ARG A 51 0.646 1.955 -10.018 1.00 0.00 N ATOM 0 H ARG A 51 -0.525 -1.945 -4.363 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.205 0.376 -3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.183 -1.118 -6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.542 -0.153 -5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.040 1.847 -5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.720 0.871 -6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.539 0.311 -8.382 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.167 1.870 -7.886 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.284 2.936 -8.793 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.845 -0.565 -8.682 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.604 -0.532 -9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.577 2.970 -10.091 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.405 1.461 -10.487 1.00 0.00 H new ATOM 743 N PHE A 52 -3.517 -1.355 -2.683 1.00 0.00 N ATOM 744 CA PHE A 52 -4.403 -2.303 -2.018 1.00 0.00 C ATOM 745 C PHE A 52 -5.847 -1.810 -2.047 1.00 0.00 C ATOM 746 O PHE A 52 -6.105 -0.623 -2.246 1.00 0.00 O ATOM 747 CB PHE A 52 -3.956 -2.524 -0.572 1.00 0.00 C ATOM 748 CG PHE A 52 -2.586 -3.129 -0.453 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.453 -2.340 -0.571 1.00 0.00 C ATOM 750 CD2 PHE A 52 -2.432 -4.487 -0.223 1.00 0.00 C ATOM 751 CE1 PHE A 52 -0.192 -2.895 -0.463 1.00 0.00 C ATOM 752 CE2 PHE A 52 -1.173 -5.047 -0.114 1.00 0.00 C ATOM 753 CZ PHE A 52 -0.052 -4.250 -0.233 1.00 0.00 C ATOM 0 H PHE A 52 -3.349 -0.496 -2.159 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.350 -3.250 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.970 -1.569 -0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.676 -3.173 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.557 -1.280 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.306 -5.115 -0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.683 -2.270 -0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.066 -6.107 0.064 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.933 -4.685 -0.146 1.00 0.00 H new ATOM 763 N PHE A 53 -6.784 -2.731 -1.847 1.00 0.00 N ATOM 764 CA PHE A 53 -8.202 -2.392 -1.851 1.00 0.00 C ATOM 765 C PHE A 53 -8.529 -1.407 -0.732 1.00 0.00 C ATOM 766 O PHE A 53 -9.206 -0.403 -0.952 1.00 0.00 O ATOM 767 CB PHE A 53 -9.051 -3.655 -1.698 1.00 0.00 C ATOM 768 CG PHE A 53 -10.385 -3.407 -1.053 1.00 0.00 C ATOM 769 CD1 PHE A 53 -11.134 -2.290 -1.388 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.890 -4.290 -0.112 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.361 -2.059 -0.797 1.00 0.00 C ATOM 772 CE2 PHE A 53 -12.117 -4.064 0.481 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.853 -2.946 0.140 1.00 0.00 C ATOM 0 H PHE A 53 -6.587 -3.718 -1.680 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.434 -1.920 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.209 -4.098 -2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.499 -4.384 -1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.754 -1.592 -2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -10.318 -5.165 0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.935 -1.185 -1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -12.501 -4.761 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.811 -2.766 0.605 1.00 0.00 H new ATOM 783 N SER A 54 -8.043 -1.703 0.469 1.00 0.00 N ATOM 784 CA SER A 54 -8.287 -0.847 1.625 1.00 0.00 C ATOM 785 C SER A 54 -6.985 -0.229 2.127 1.00 0.00 C ATOM 786 O SER A 54 -5.899 -0.780 1.952 1.00 0.00 O ATOM 787 CB SER A 54 -8.952 -1.646 2.747 1.00 0.00 C ATOM 788 OG SER A 54 -8.085 -2.653 3.238 1.00 0.00 O ATOM 0 H SER A 54 -7.478 -2.529 0.667 1.00 0.00 H new ATOM 0 HA SER A 54 -8.955 -0.043 1.317 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.232 -0.975 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.871 -2.101 2.378 1.00 0.00 H new ATOM 0 HG SER A 54 -8.532 -3.149 3.955 1.00 0.00 H new ATOM 794 N PRO A 55 -7.097 0.944 2.767 1.00 0.00 N ATOM 795 CA PRO A 55 -5.940 1.663 3.309 1.00 0.00 C ATOM 796 C PRO A 55 -5.328 0.953 4.512 1.00 0.00 C ATOM 797 O PRO A 55 -4.161 1.164 4.840 1.00 0.00 O ATOM 798 CB PRO A 55 -6.526 3.014 3.727 1.00 0.00 C ATOM 799 CG PRO A 55 -7.968 2.739 3.981 1.00 0.00 C ATOM 800 CD PRO A 55 -8.361 1.659 3.012 1.00 0.00 C ATOM 0 HA PRO A 55 -5.131 1.740 2.582 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.033 3.400 4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.397 3.761 2.944 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.128 2.417 5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.569 3.636 3.830 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.121 1.000 3.432 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.772 2.075 2.092 1.00 0.00 H new ATOM 808 N GLU A 56 -6.123 0.111 5.165 1.00 0.00 N ATOM 809 CA GLU A 56 -5.657 -0.629 6.331 1.00 0.00 C ATOM 810 C GLU A 56 -4.820 -1.834 5.913 1.00 0.00 C ATOM 811 O GLU A 56 -3.924 -2.264 6.639 1.00 0.00 O ATOM 812 CB GLU A 56 -6.846 -1.089 7.179 1.00 0.00 C ATOM 813 CG GLU A 56 -7.291 -0.065 8.210 1.00 0.00 C ATOM 814 CD GLU A 56 -8.774 -0.149 8.513 1.00 0.00 C ATOM 815 OE1 GLU A 56 -9.571 -0.234 7.555 1.00 0.00 O ATOM 816 OE2 GLU A 56 -9.138 -0.130 9.707 1.00 0.00 O ATOM 0 H GLU A 56 -7.092 -0.075 4.906 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.031 0.037 6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.684 -1.317 6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.581 -2.015 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.727 -0.213 9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.054 0.936 7.849 1.00 0.00 H new ATOM 823 N LEU A 57 -5.120 -2.375 4.737 1.00 0.00 N ATOM 824 CA LEU A 57 -4.396 -3.532 4.220 1.00 0.00 C ATOM 825 C LEU A 57 -2.937 -3.183 3.946 1.00 0.00 C ATOM 826 O LEU A 57 -2.031 -3.942 4.289 1.00 0.00 O ATOM 827 CB LEU A 57 -5.060 -4.043 2.940 1.00 0.00 C ATOM 828 CG LEU A 57 -6.155 -5.094 3.126 1.00 0.00 C ATOM 829 CD1 LEU A 57 -6.890 -5.335 1.817 1.00 0.00 C ATOM 830 CD2 LEU A 57 -5.564 -6.392 3.655 1.00 0.00 C ATOM 0 H LEU A 57 -5.859 -2.031 4.124 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.426 -4.317 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.488 -3.191 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.287 -4.462 2.296 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.871 -4.720 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.666 -6.086 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.346 -4.405 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.186 -5.688 1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.358 -7.128 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.827 -6.771 2.947 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.084 -6.208 4.616 1.00 0.00 H new ATOM 842 N LYS A 58 -2.717 -2.028 3.326 1.00 0.00 N ATOM 843 CA LYS A 58 -1.368 -1.575 3.008 1.00 0.00 C ATOM 844 C LYS A 58 -0.568 -1.311 4.280 1.00 0.00 C ATOM 845 O LYS A 58 0.562 -1.777 4.421 1.00 0.00 O ATOM 846 CB LYS A 58 -1.422 -0.306 2.154 1.00 0.00 C ATOM 847 CG LYS A 58 -0.053 0.256 1.813 1.00 0.00 C ATOM 848 CD LYS A 58 0.475 1.151 2.922 1.00 0.00 C ATOM 849 CE LYS A 58 0.183 2.617 2.642 1.00 0.00 C ATOM 850 NZ LYS A 58 -0.023 3.391 3.897 1.00 0.00 N ATOM 0 H LYS A 58 -3.456 -1.389 3.034 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.870 -2.364 2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.957 -0.523 1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.996 0.454 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.645 -0.563 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.113 0.823 0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.021 0.863 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.550 1.007 3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.010 3.051 2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.706 2.697 2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.388 4.340 3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.041 3.474 4.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.441 2.900 4.688 1.00 0.00 H new ATOM 864 N GLN A 59 -1.164 -0.563 5.203 1.00 0.00 N ATOM 865 CA GLN A 59 -0.506 -0.238 6.464 1.00 0.00 C ATOM 866 C GLN A 59 0.323 -1.416 6.964 1.00 0.00 C ATOM 867 O GLN A 59 1.502 -1.266 7.281 1.00 0.00 O ATOM 868 CB GLN A 59 -1.543 0.155 7.517 1.00 0.00 C ATOM 869 CG GLN A 59 -2.044 1.584 7.375 1.00 0.00 C ATOM 870 CD GLN A 59 -2.529 2.166 8.687 1.00 0.00 C ATOM 871 OE1 GLN A 59 -1.766 2.286 9.647 1.00 0.00 O ATOM 872 NE2 GLN A 59 -3.805 2.531 8.737 1.00 0.00 N ATOM 0 H GLN A 59 -2.100 -0.171 5.102 1.00 0.00 H new ATOM 0 HA GLN A 59 0.163 0.605 6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.391 -0.527 7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.108 0.028 8.508 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.243 2.208 6.979 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.856 1.610 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.401 2.414 7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.188 2.929 9.594 1.00 0.00 H new ATOM 881 N GLU A 60 -0.302 -2.587 7.031 1.00 0.00 N ATOM 882 CA GLU A 60 0.379 -3.791 7.495 1.00 0.00 C ATOM 883 C GLU A 60 1.626 -4.066 6.659 1.00 0.00 C ATOM 884 O GLU A 60 2.724 -4.220 7.194 1.00 0.00 O ATOM 885 CB GLU A 60 -0.565 -4.993 7.434 1.00 0.00 C ATOM 886 CG GLU A 60 -1.846 -4.802 8.228 1.00 0.00 C ATOM 887 CD GLU A 60 -1.588 -4.533 9.698 1.00 0.00 C ATOM 888 OE1 GLU A 60 -1.212 -3.392 10.035 1.00 0.00 O ATOM 889 OE2 GLU A 60 -1.762 -5.466 10.510 1.00 0.00 O ATOM 0 H GLU A 60 -1.278 -2.728 6.770 1.00 0.00 H new ATOM 0 HA GLU A 60 0.684 -3.630 8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.819 -5.192 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.043 -5.873 7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.411 -3.972 7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.466 -5.693 8.129 1.00 0.00 H new ATOM 896 N HIS A 61 1.447 -4.126 5.343 1.00 0.00 N ATOM 897 CA HIS A 61 2.557 -4.383 4.432 1.00 0.00 C ATOM 898 C HIS A 61 3.738 -3.468 4.743 1.00 0.00 C ATOM 899 O HIS A 61 4.844 -3.937 5.011 1.00 0.00 O ATOM 900 CB HIS A 61 2.111 -4.185 2.983 1.00 0.00 C ATOM 901 CG HIS A 61 3.248 -3.975 2.030 1.00 0.00 C ATOM 902 ND1 HIS A 61 3.977 -5.012 1.487 1.00 0.00 N ATOM 903 CD2 HIS A 61 3.778 -2.838 1.522 1.00 0.00 C ATOM 904 CE1 HIS A 61 4.908 -4.522 0.688 1.00 0.00 C ATOM 905 NE2 HIS A 61 4.808 -3.205 0.691 1.00 0.00 N ATOM 0 H HIS A 61 0.545 -4.000 4.884 1.00 0.00 H new ATOM 0 HA HIS A 61 2.875 -5.417 4.568 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.538 -5.056 2.666 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.441 -3.327 2.932 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.452 -1.830 1.731 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.628 -5.100 0.128 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.400 -2.564 0.162 1.00 0.00 H new ATOM 913 N GLU A 62 3.495 -2.162 4.704 1.00 0.00 N ATOM 914 CA GLU A 62 4.539 -1.183 4.980 1.00 0.00 C ATOM 915 C GLU A 62 5.467 -1.674 6.087 1.00 0.00 C ATOM 916 O GLU A 62 6.685 -1.513 6.008 1.00 0.00 O ATOM 917 CB GLU A 62 3.919 0.159 5.377 1.00 0.00 C ATOM 918 CG GLU A 62 3.788 1.135 4.221 1.00 0.00 C ATOM 919 CD GLU A 62 2.814 2.260 4.515 1.00 0.00 C ATOM 920 OE1 GLU A 62 1.976 2.095 5.427 1.00 0.00 O ATOM 921 OE2 GLU A 62 2.888 3.303 3.833 1.00 0.00 O ATOM 0 H GLU A 62 2.585 -1.758 4.484 1.00 0.00 H new ATOM 0 HA GLU A 62 5.125 -1.050 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.932 -0.019 5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.528 0.614 6.158 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.767 1.557 3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.459 0.597 3.332 1.00 0.00 H new ATOM 928 N SER A 63 4.882 -2.275 7.118 1.00 0.00 N ATOM 929 CA SER A 63 5.656 -2.787 8.244 1.00 0.00 C ATOM 930 C SER A 63 6.642 -3.856 7.784 1.00 0.00 C ATOM 931 O SER A 63 7.796 -3.880 8.214 1.00 0.00 O ATOM 932 CB SER A 63 4.723 -3.363 9.310 1.00 0.00 C ATOM 933 OG SER A 63 3.775 -2.398 9.734 1.00 0.00 O ATOM 0 H SER A 63 3.875 -2.420 7.197 1.00 0.00 H new ATOM 0 HA SER A 63 6.219 -1.958 8.673 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.205 -4.235 8.911 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.308 -3.703 10.165 1.00 0.00 H new ATOM 0 HG SER A 63 3.189 -2.792 10.414 1.00 0.00 H new ATOM 939 N LYS A 64 6.181 -4.739 6.905 1.00 0.00 N ATOM 940 CA LYS A 64 7.020 -5.811 6.384 1.00 0.00 C ATOM 941 C LYS A 64 7.358 -5.573 4.916 1.00 0.00 C ATOM 942 O LYS A 64 7.572 -6.518 4.156 1.00 0.00 O ATOM 943 CB LYS A 64 6.318 -7.161 6.544 1.00 0.00 C ATOM 944 CG LYS A 64 4.878 -7.159 6.060 1.00 0.00 C ATOM 945 CD LYS A 64 3.914 -6.806 7.179 1.00 0.00 C ATOM 946 CE LYS A 64 3.488 -8.041 7.958 1.00 0.00 C ATOM 947 NZ LYS A 64 4.383 -8.300 9.120 1.00 0.00 N ATOM 0 H LYS A 64 5.229 -4.733 6.538 1.00 0.00 H new ATOM 0 HA LYS A 64 7.948 -5.821 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.876 -7.919 5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.339 -7.450 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.768 -6.444 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.627 -8.141 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.385 -6.093 7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.034 -6.316 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.464 -7.913 8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.492 -8.907 7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.811 -8.575 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.044 -9.068 8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.920 -7.438 9.343 1.00 0.00 H new ATOM 961 N CYS A 65 7.406 -4.304 4.523 1.00 0.00 N ATOM 962 CA CYS A 65 7.719 -3.941 3.146 1.00 0.00 C ATOM 963 C CYS A 65 9.214 -4.078 2.874 1.00 0.00 C ATOM 964 O CYS A 65 10.042 -3.604 3.651 1.00 0.00 O ATOM 965 CB CYS A 65 7.267 -2.508 2.860 1.00 0.00 C ATOM 966 SG CYS A 65 7.704 -1.909 1.196 1.00 0.00 S ATOM 0 H CYS A 65 7.232 -3.510 5.139 1.00 0.00 H new ATOM 0 HA CYS A 65 7.183 -4.623 2.486 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.186 -2.448 2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.710 -1.844 3.602 1.00 0.00 H new ATOM 0 HG CYS A 65 7.529 -2.864 0.331 1.00 0.00 H new ATOM 971 N GLU A 66 9.550 -4.730 1.765 1.00 0.00 N ATOM 972 CA GLU A 66 10.945 -4.930 1.390 1.00 0.00 C ATOM 973 C GLU A 66 11.561 -3.633 0.872 1.00 0.00 C ATOM 974 O GLU A 66 12.755 -3.388 1.044 1.00 0.00 O ATOM 975 CB GLU A 66 11.059 -6.022 0.326 1.00 0.00 C ATOM 976 CG GLU A 66 10.240 -5.744 -0.923 1.00 0.00 C ATOM 977 CD GLU A 66 9.710 -7.009 -1.568 1.00 0.00 C ATOM 978 OE1 GLU A 66 8.691 -7.543 -1.082 1.00 0.00 O ATOM 979 OE2 GLU A 66 10.316 -7.467 -2.560 1.00 0.00 O ATOM 0 H GLU A 66 8.876 -5.128 1.111 1.00 0.00 H new ATOM 0 HA GLU A 66 11.492 -5.242 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.106 -6.136 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.739 -6.971 0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.404 -5.094 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.855 -5.204 -1.643 1.00 0.00 H new ATOM 986 N TYR A 67 10.737 -2.807 0.237 1.00 0.00 N ATOM 987 CA TYR A 67 11.200 -1.537 -0.310 1.00 0.00 C ATOM 988 C TYR A 67 11.350 -0.492 0.792 1.00 0.00 C ATOM 989 O TYR A 67 11.997 0.538 0.604 1.00 0.00 O ATOM 990 CB TYR A 67 10.227 -1.033 -1.378 1.00 0.00 C ATOM 991 CG TYR A 67 10.608 -1.439 -2.783 1.00 0.00 C ATOM 992 CD1 TYR A 67 11.159 -2.688 -3.041 1.00 0.00 C ATOM 993 CD2 TYR A 67 10.415 -0.575 -3.854 1.00 0.00 C ATOM 994 CE1 TYR A 67 11.509 -3.064 -4.324 1.00 0.00 C ATOM 995 CE2 TYR A 67 10.760 -0.942 -5.140 1.00 0.00 C ATOM 996 CZ TYR A 67 11.307 -2.187 -5.370 1.00 0.00 C ATOM 997 OH TYR A 67 11.652 -2.558 -6.649 1.00 0.00 O ATOM 0 H TYR A 67 9.745 -2.994 0.088 1.00 0.00 H new ATOM 0 HA TYR A 67 12.176 -1.701 -0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.229 -1.412 -1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.173 0.054 -1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 67 11.317 -3.377 -2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.988 0.401 -3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.938 -4.038 -4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.602 -0.258 -5.961 1.00 0.00 H new ATOM 0 HH TYR A 67 11.445 -1.828 -7.269 1.00 0.00 H new ATOM 1007 N LYS A 68 10.746 -0.765 1.943 1.00 0.00 N ATOM 1008 CA LYS A 68 10.812 0.148 3.078 1.00 0.00 C ATOM 1009 C LYS A 68 12.257 0.523 3.391 1.00 0.00 C ATOM 1010 O LYS A 68 12.634 1.693 3.325 1.00 0.00 O ATOM 1011 CB LYS A 68 10.160 -0.487 4.309 1.00 0.00 C ATOM 1012 CG LYS A 68 10.515 0.208 5.612 1.00 0.00 C ATOM 1013 CD LYS A 68 9.785 1.533 5.753 1.00 0.00 C ATOM 1014 CE LYS A 68 10.058 2.179 7.103 1.00 0.00 C ATOM 1015 NZ LYS A 68 10.005 3.665 7.028 1.00 0.00 N ATOM 0 H LYS A 68 10.205 -1.612 2.115 1.00 0.00 H new ATOM 0 HA LYS A 68 10.269 1.055 2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.077 -0.474 4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.462 -1.533 4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.262 -0.439 6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.591 0.378 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.097 2.208 4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.713 1.374 5.635 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.326 1.826 7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.039 1.868 7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.756 4.051 7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.934 4.031 6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.288 3.952 6.332 1.00 0.00 H new ATOM 1029 N LYS A 69 13.063 -0.477 3.731 1.00 0.00 N ATOM 1030 CA LYS A 69 14.467 -0.254 4.052 1.00 0.00 C ATOM 1031 C LYS A 69 15.197 0.392 2.878 1.00 0.00 C ATOM 1032 O LYS A 69 16.129 1.174 3.068 1.00 0.00 O ATOM 1033 CB LYS A 69 15.144 -1.575 4.422 1.00 0.00 C ATOM 1034 CG LYS A 69 15.625 -2.370 3.221 1.00 0.00 C ATOM 1035 CD LYS A 69 15.847 -3.832 3.572 1.00 0.00 C ATOM 1036 CE LYS A 69 15.787 -4.717 2.336 1.00 0.00 C ATOM 1037 NZ LYS A 69 15.895 -6.161 2.683 1.00 0.00 N ATOM 0 H LYS A 69 12.767 -1.451 3.791 1.00 0.00 H new ATOM 0 HA LYS A 69 14.515 0.423 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 69 15.993 -1.368 5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.444 -2.184 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.893 -2.295 2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.554 -1.940 2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.816 -3.948 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.091 -4.154 4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.851 -4.539 1.807 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.594 -4.446 1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.850 -6.731 1.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 16.800 -6.335 3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.111 -6.426 3.312 1.00 0.00 H new ATOM 1051 N LEU A 70 14.768 0.060 1.666 1.00 0.00 N ATOM 1052 CA LEU A 70 15.380 0.608 0.460 1.00 0.00 C ATOM 1053 C LEU A 70 14.737 1.939 0.080 1.00 0.00 C ATOM 1054 O LEU A 70 14.708 2.314 -1.092 1.00 0.00 O ATOM 1055 CB LEU A 70 15.250 -0.383 -0.698 1.00 0.00 C ATOM 1056 CG LEU A 70 15.946 -1.731 -0.508 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.549 -2.697 -1.613 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.457 -1.551 -0.473 1.00 0.00 C ATOM 0 H LEU A 70 13.998 -0.586 1.492 1.00 0.00 H new ATOM 0 HA LEU A 70 16.437 0.781 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.190 -0.566 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.649 0.086 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 70 15.628 -2.151 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.054 -3.651 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.470 -2.850 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.838 -2.283 -2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.936 -2.521 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.793 -1.109 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.726 -0.894 0.354 1.00 0.00 H new ATOM 1070 N THR A 71 14.224 2.649 1.080 1.00 0.00 N ATOM 1071 CA THR A 71 13.583 3.938 0.852 1.00 0.00 C ATOM 1072 C THR A 71 14.368 5.067 1.511 1.00 0.00 C ATOM 1073 O THR A 71 14.702 4.996 2.694 1.00 0.00 O ATOM 1074 CB THR A 71 12.139 3.950 1.388 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.350 2.980 0.691 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.515 5.328 1.229 1.00 0.00 C ATOM 0 H THR A 71 14.240 2.353 2.056 1.00 0.00 H new ATOM 0 HA THR A 71 13.563 4.095 -0.226 1.00 0.00 H new ATOM 0 HB THR A 71 12.166 3.701 2.449 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.785 2.103 0.747 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.495 5.312 1.614 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.102 6.059 1.785 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.500 5.601 0.174 1.00 0.00 H new ATOM 1084 N CYS A 72 14.658 6.109 0.739 1.00 0.00 N ATOM 1085 CA CYS A 72 15.403 7.254 1.247 1.00 0.00 C ATOM 1086 C CYS A 72 14.491 8.189 2.036 1.00 0.00 C ATOM 1087 O CYS A 72 14.131 9.268 1.563 1.00 0.00 O ATOM 1088 CB CYS A 72 16.058 8.016 0.093 1.00 0.00 C ATOM 1089 SG CYS A 72 17.470 9.052 0.594 1.00 0.00 S ATOM 0 H CYS A 72 14.388 6.184 -0.242 1.00 0.00 H new ATOM 0 HA CYS A 72 16.180 6.883 1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 72 16.394 7.300 -0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 72 15.308 8.648 -0.383 1.00 0.00 H new ATOM 0 HG CYS A 72 17.225 10.293 0.296 1.00 0.00 H new ATOM 1094 N LEU A 73 14.122 7.768 3.241 1.00 0.00 N ATOM 1095 CA LEU A 73 13.252 8.568 4.097 1.00 0.00 C ATOM 1096 C LEU A 73 13.572 10.053 3.963 1.00 0.00 C ATOM 1097 O LEU A 73 12.672 10.893 3.959 1.00 0.00 O ATOM 1098 CB LEU A 73 13.401 8.133 5.556 1.00 0.00 C ATOM 1099 CG LEU A 73 13.202 6.643 5.836 1.00 0.00 C ATOM 1100 CD1 LEU A 73 13.182 6.378 7.333 1.00 0.00 C ATOM 1101 CD2 LEU A 73 11.919 6.144 5.187 1.00 0.00 C ATOM 0 H LEU A 73 14.411 6.878 3.647 1.00 0.00 H new ATOM 0 HA LEU A 73 12.222 8.407 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.396 8.417 5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.685 8.694 6.156 1.00 0.00 H new ATOM 0 HG LEU A 73 14.040 6.098 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.039 5.312 7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 73 14.128 6.696 7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.364 6.935 7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.794 5.082 5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.069 6.696 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.973 6.297 4.109 1.00 0.00 H new ATOM 1113 N GLU A 74 14.858 10.369 3.850 1.00 0.00 N ATOM 1114 CA GLU A 74 15.295 11.753 3.713 1.00 0.00 C ATOM 1115 C GLU A 74 14.449 12.492 2.680 1.00 0.00 C ATOM 1116 O GLU A 74 13.838 13.517 2.980 1.00 0.00 O ATOM 1117 CB GLU A 74 16.771 11.808 3.313 1.00 0.00 C ATOM 1118 CG GLU A 74 17.722 11.835 4.498 1.00 0.00 C ATOM 1119 CD GLU A 74 17.372 10.800 5.550 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.467 11.067 6.367 1.00 0.00 O ATOM 1121 OE2 GLU A 74 18.005 9.724 5.556 1.00 0.00 O ATOM 0 H GLU A 74 15.615 9.686 3.851 1.00 0.00 H new ATOM 0 HA GLU A 74 15.169 12.244 4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.003 10.943 2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.940 12.694 2.702 1.00 0.00 H new ATOM 0 HG2 GLU A 74 18.739 11.661 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 74 17.706 12.827 4.950 1.00 0.00 H new ATOM 1128 N CYS A 75 14.419 11.962 1.461 1.00 0.00 N ATOM 1129 CA CYS A 75 13.650 12.570 0.382 1.00 0.00 C ATOM 1130 C CYS A 75 12.676 11.564 -0.224 1.00 0.00 C ATOM 1131 O CYS A 75 12.439 11.565 -1.432 1.00 0.00 O ATOM 1132 CB CYS A 75 14.588 13.105 -0.702 1.00 0.00 C ATOM 1133 SG CYS A 75 15.558 11.817 -1.549 1.00 0.00 S ATOM 0 H CYS A 75 14.918 11.113 1.196 1.00 0.00 H new ATOM 0 HA CYS A 75 13.077 13.399 0.799 1.00 0.00 H new ATOM 0 HB2 CYS A 75 13.999 13.646 -1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 75 15.273 13.824 -0.252 1.00 0.00 H new ATOM 0 HG CYS A 75 16.319 12.368 -2.448 1.00 0.00 H new ATOM 1138 N MET A 76 12.115 10.708 0.623 1.00 0.00 N ATOM 1139 CA MET A 76 11.165 9.697 0.171 1.00 0.00 C ATOM 1140 C MET A 76 11.518 9.207 -1.230 1.00 0.00 C ATOM 1141 O MET A 76 10.688 9.243 -2.138 1.00 0.00 O ATOM 1142 CB MET A 76 9.743 10.262 0.183 1.00 0.00 C ATOM 1143 CG MET A 76 9.141 10.362 1.575 1.00 0.00 C ATOM 1144 SD MET A 76 8.235 8.877 2.048 1.00 0.00 S ATOM 1145 CE MET A 76 9.516 7.953 2.891 1.00 0.00 C ATOM 0 H MET A 76 12.301 10.694 1.626 1.00 0.00 H new ATOM 0 HA MET A 76 11.218 8.851 0.857 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.750 11.252 -0.273 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.105 9.631 -0.436 1.00 0.00 H new ATOM 0 HG2 MET A 76 9.936 10.544 2.298 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.471 11.220 1.616 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.065 7.135 3.453 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.214 7.548 2.159 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.050 8.612 3.575 1.00 0.00 H new ATOM 1155 N ARG A 77 12.755 8.750 -1.398 1.00 0.00 N ATOM 1156 CA ARG A 77 13.218 8.255 -2.689 1.00 0.00 C ATOM 1157 C ARG A 77 13.584 6.776 -2.604 1.00 0.00 C ATOM 1158 O ARG A 77 14.614 6.412 -2.035 1.00 0.00 O ATOM 1159 CB ARG A 77 14.425 9.064 -3.166 1.00 0.00 C ATOM 1160 CG ARG A 77 14.051 10.302 -3.965 1.00 0.00 C ATOM 1161 CD ARG A 77 15.231 10.821 -4.773 1.00 0.00 C ATOM 1162 NE ARG A 77 15.039 12.207 -5.192 1.00 0.00 N ATOM 1163 CZ ARG A 77 15.902 12.869 -5.954 1.00 0.00 C ATOM 1164 NH1 ARG A 77 17.009 12.276 -6.378 1.00 0.00 N ATOM 1165 NH2 ARG A 77 15.658 14.129 -6.294 1.00 0.00 N ATOM 0 H ARG A 77 13.454 8.712 -0.656 1.00 0.00 H new ATOM 0 HA ARG A 77 12.406 8.370 -3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.015 9.365 -2.300 1.00 0.00 H new ATOM 0 HB3 ARG A 77 15.061 8.425 -3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.224 10.068 -4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.701 11.081 -3.288 1.00 0.00 H new ATOM 0 HD2 ARG A 77 16.140 10.745 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.373 10.193 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 77 14.197 12.692 -4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.200 11.308 -6.119 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.670 12.788 -6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 77 14.807 14.589 -5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.321 14.637 -6.879 1.00 0.00 H new ATOM 1179 N THR A 78 12.734 5.927 -3.172 1.00 0.00 N ATOM 1180 CA THR A 78 12.966 4.488 -3.159 1.00 0.00 C ATOM 1181 C THR A 78 13.895 4.072 -4.294 1.00 0.00 C ATOM 1182 O THR A 78 13.953 4.727 -5.335 1.00 0.00 O ATOM 1183 CB THR A 78 11.646 3.705 -3.278 1.00 0.00 C ATOM 1184 OG1 THR A 78 10.647 4.299 -2.442 1.00 0.00 O ATOM 1185 CG2 THR A 78 11.843 2.249 -2.883 1.00 0.00 C ATOM 0 H THR A 78 11.878 6.211 -3.647 1.00 0.00 H new ATOM 0 HA THR A 78 13.434 4.251 -2.204 1.00 0.00 H new ATOM 0 HB THR A 78 11.320 3.743 -4.317 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.838 3.745 -2.455 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.897 1.716 -2.975 1.00 0.00 H new ATOM 0 HG22 THR A 78 12.583 1.791 -3.539 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.191 2.196 -1.851 1.00 0.00 H new ATOM 1193 N PHE A 79 14.619 2.977 -4.088 1.00 0.00 N ATOM 1194 CA PHE A 79 15.546 2.472 -5.095 1.00 0.00 C ATOM 1195 C PHE A 79 15.340 0.978 -5.324 1.00 0.00 C ATOM 1196 O PHE A 79 14.448 0.365 -4.736 1.00 0.00 O ATOM 1197 CB PHE A 79 16.991 2.740 -4.668 1.00 0.00 C ATOM 1198 CG PHE A 79 17.399 4.179 -4.802 1.00 0.00 C ATOM 1199 CD1 PHE A 79 16.941 5.129 -3.904 1.00 0.00 C ATOM 1200 CD2 PHE A 79 18.241 4.581 -5.827 1.00 0.00 C ATOM 1201 CE1 PHE A 79 17.315 6.454 -4.027 1.00 0.00 C ATOM 1202 CE2 PHE A 79 18.619 5.905 -5.954 1.00 0.00 C ATOM 1203 CZ PHE A 79 18.156 6.842 -5.052 1.00 0.00 C ATOM 0 H PHE A 79 14.582 2.422 -3.233 1.00 0.00 H new ATOM 0 HA PHE A 79 15.348 2.995 -6.030 1.00 0.00 H new ATOM 0 HB2 PHE A 79 17.118 2.430 -3.631 1.00 0.00 H new ATOM 0 HB3 PHE A 79 17.659 2.124 -5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 79 16.285 4.831 -3.099 1.00 0.00 H new ATOM 0 HD2 PHE A 79 18.606 3.852 -6.535 1.00 0.00 H new ATOM 0 HE1 PHE A 79 16.950 7.186 -3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 79 19.275 6.206 -6.757 1.00 0.00 H new ATOM 0 HZ PHE A 79 18.451 7.877 -5.148 1.00 0.00 H new ATOM 1213 N LYS A 80 16.170 0.397 -6.183 1.00 0.00 N ATOM 1214 CA LYS A 80 16.081 -1.025 -6.491 1.00 0.00 C ATOM 1215 C LYS A 80 16.831 -1.855 -5.453 1.00 0.00 C ATOM 1216 O LYS A 80 16.308 -2.843 -4.939 1.00 0.00 O ATOM 1217 CB LYS A 80 16.646 -1.302 -7.886 1.00 0.00 C ATOM 1218 CG LYS A 80 16.717 -2.780 -8.231 1.00 0.00 C ATOM 1219 CD LYS A 80 15.339 -3.351 -8.522 1.00 0.00 C ATOM 1220 CE LYS A 80 14.835 -2.921 -9.891 1.00 0.00 C ATOM 1221 NZ LYS A 80 15.542 -3.633 -10.991 1.00 0.00 N ATOM 0 H LYS A 80 16.913 0.890 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 80 15.029 -1.311 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.028 -0.794 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.645 -0.873 -7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.361 -2.922 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.171 -3.326 -7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.377 -4.439 -8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.638 -3.021 -7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.765 -3.115 -9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.972 -1.846 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.041 -3.470 -11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.515 -3.274 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.564 -4.653 -10.787 1.00 0.00 H new ATOM 1235 N SER A 81 18.059 -1.445 -5.150 1.00 0.00 N ATOM 1236 CA SER A 81 18.881 -2.152 -4.175 1.00 0.00 C ATOM 1237 C SER A 81 19.563 -1.170 -3.226 1.00 0.00 C ATOM 1238 O SER A 81 19.318 0.035 -3.280 1.00 0.00 O ATOM 1239 CB SER A 81 19.933 -3.005 -4.886 1.00 0.00 C ATOM 1240 OG SER A 81 19.324 -3.972 -5.724 1.00 0.00 O ATOM 0 H SER A 81 18.506 -0.628 -5.565 1.00 0.00 H new ATOM 0 HA SER A 81 18.230 -2.803 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.585 -2.364 -5.479 1.00 0.00 H new ATOM 0 HB3 SER A 81 20.561 -3.503 -4.148 1.00 0.00 H new ATOM 0 HG SER A 81 20.017 -4.503 -6.168 1.00 0.00 H new ATOM 1246 N SER A 82 20.420 -1.696 -2.357 1.00 0.00 N ATOM 1247 CA SER A 82 21.136 -0.868 -1.393 1.00 0.00 C ATOM 1248 C SER A 82 22.336 -0.189 -2.045 1.00 0.00 C ATOM 1249 O SER A 82 22.576 1.001 -1.842 1.00 0.00 O ATOM 1250 CB SER A 82 21.597 -1.715 -0.205 1.00 0.00 C ATOM 1251 OG SER A 82 22.380 -2.815 -0.636 1.00 0.00 O ATOM 0 H SER A 82 20.636 -2.691 -2.300 1.00 0.00 H new ATOM 0 HA SER A 82 20.454 -0.096 -1.037 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.177 -1.099 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.729 -2.076 0.347 1.00 0.00 H new ATOM 0 HG SER A 82 22.664 -3.339 0.142 1.00 0.00 H new ATOM 1257 N PHE A 83 23.088 -0.955 -2.829 1.00 0.00 N ATOM 1258 CA PHE A 83 24.264 -0.429 -3.511 1.00 0.00 C ATOM 1259 C PHE A 83 23.885 0.717 -4.444 1.00 0.00 C ATOM 1260 O PHE A 83 24.734 1.515 -4.842 1.00 0.00 O ATOM 1261 CB PHE A 83 24.959 -1.538 -4.303 1.00 0.00 C ATOM 1262 CG PHE A 83 26.105 -1.048 -5.141 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.373 -0.920 -4.598 1.00 0.00 C ATOM 1264 CD2 PHE A 83 25.914 -0.716 -6.473 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.429 -0.468 -5.367 1.00 0.00 C ATOM 1266 CE2 PHE A 83 26.966 -0.265 -7.247 1.00 0.00 C ATOM 1267 CZ PHE A 83 28.225 -0.141 -6.694 1.00 0.00 C ATOM 0 H PHE A 83 22.903 -1.942 -3.007 1.00 0.00 H new ATOM 0 HA PHE A 83 24.950 -0.047 -2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.324 -2.295 -3.609 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.228 -2.024 -4.949 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.538 -1.176 -3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 83 24.931 -0.811 -6.911 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.412 -0.371 -4.931 1.00 0.00 H new ATOM 0 HE2 PHE A 83 26.804 -0.010 -8.284 1.00 0.00 H new ATOM 0 HZ PHE A 83 29.049 0.211 -7.297 1.00 0.00 H new ATOM 1277 N SER A 84 22.604 0.791 -4.790 1.00 0.00 N ATOM 1278 CA SER A 84 22.112 1.836 -5.680 1.00 0.00 C ATOM 1279 C SER A 84 21.799 3.110 -4.902 1.00 0.00 C ATOM 1280 O SER A 84 22.295 4.189 -5.230 1.00 0.00 O ATOM 1281 CB SER A 84 20.861 1.358 -6.420 1.00 0.00 C ATOM 1282 OG SER A 84 21.196 0.439 -7.446 1.00 0.00 O ATOM 0 H SER A 84 21.888 0.140 -4.468 1.00 0.00 H new ATOM 0 HA SER A 84 22.894 2.057 -6.406 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.175 0.887 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.339 2.213 -6.849 1.00 0.00 H new ATOM 0 HG SER A 84 20.380 0.147 -7.903 1.00 0.00 H new ATOM 1288 N ILE A 85 20.974 2.977 -3.868 1.00 0.00 N ATOM 1289 CA ILE A 85 20.596 4.117 -3.042 1.00 0.00 C ATOM 1290 C ILE A 85 21.778 4.615 -2.218 1.00 0.00 C ATOM 1291 O ILE A 85 21.873 5.801 -1.903 1.00 0.00 O ATOM 1292 CB ILE A 85 19.436 3.764 -2.093 1.00 0.00 C ATOM 1293 CG1 ILE A 85 18.981 5.006 -1.324 1.00 0.00 C ATOM 1294 CG2 ILE A 85 19.855 2.662 -1.130 1.00 0.00 C ATOM 1295 CD1 ILE A 85 17.716 4.791 -0.523 1.00 0.00 C ATOM 0 H ILE A 85 20.555 2.092 -3.583 1.00 0.00 H new ATOM 0 HA ILE A 85 20.272 4.905 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 85 18.598 3.401 -2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.779 5.319 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.821 5.822 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.024 2.424 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.135 1.773 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 85 20.707 2.999 -0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.453 5.713 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 85 16.905 4.508 -1.193 1.00 0.00 H new ATOM 0 HD13 ILE A 85 17.878 3.997 0.207 1.00 0.00 H new ATOM 1307 N TRP A 86 22.678 3.701 -1.873 1.00 0.00 N ATOM 1308 CA TRP A 86 23.857 4.048 -1.087 1.00 0.00 C ATOM 1309 C TRP A 86 24.585 5.242 -1.695 1.00 0.00 C ATOM 1310 O TRP A 86 25.062 6.120 -0.976 1.00 0.00 O ATOM 1311 CB TRP A 86 24.804 2.851 -0.994 1.00 0.00 C ATOM 1312 CG TRP A 86 25.923 3.053 -0.018 1.00 0.00 C ATOM 1313 CD1 TRP A 86 25.809 3.375 1.304 1.00 0.00 C ATOM 1314 CD2 TRP A 86 27.325 2.947 -0.288 1.00 0.00 C ATOM 1315 NE1 TRP A 86 27.056 3.477 1.872 1.00 0.00 N ATOM 1316 CE2 TRP A 86 28.003 3.218 0.917 1.00 0.00 C ATOM 1317 CE3 TRP A 86 28.074 2.649 -1.430 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 29.392 3.200 1.009 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.453 2.631 -1.336 1.00 0.00 C ATOM 1320 CH2 TRP A 86 30.100 2.904 -0.124 1.00 0.00 C ATOM 0 H TRP A 86 22.614 2.715 -2.125 1.00 0.00 H new ATOM 0 HA TRP A 86 23.527 4.320 -0.084 1.00 0.00 H new ATOM 0 HB2 TRP A 86 24.234 1.968 -0.705 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.223 2.651 -1.980 1.00 0.00 H new ATOM 0 HD1 TRP A 86 24.876 3.527 1.826 1.00 0.00 H new ATOM 0 HE1 TRP A 86 27.246 3.708 2.847 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.584 2.437 -2.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 29.893 3.412 1.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 30.042 2.403 -2.212 1.00 0.00 H new ATOM 0 HH2 TRP A 86 31.179 2.880 -0.083 1.00 0.00 H new ATOM 1331 N ARG A 87 24.665 5.268 -3.021 1.00 0.00 N ATOM 1332 CA ARG A 87 25.336 6.355 -3.724 1.00 0.00 C ATOM 1333 C ARG A 87 24.487 7.622 -3.703 1.00 0.00 C ATOM 1334 O ARG A 87 25.014 8.734 -3.646 1.00 0.00 O ATOM 1335 CB ARG A 87 25.631 5.950 -5.170 1.00 0.00 C ATOM 1336 CG ARG A 87 26.504 4.711 -5.289 1.00 0.00 C ATOM 1337 CD ARG A 87 27.964 5.030 -5.010 1.00 0.00 C ATOM 1338 NE ARG A 87 28.546 5.884 -6.042 1.00 0.00 N ATOM 1339 CZ ARG A 87 29.848 5.951 -6.293 1.00 0.00 C ATOM 1340 NH1 ARG A 87 30.701 5.217 -5.590 1.00 0.00 N ATOM 1341 NH2 ARG A 87 30.301 6.752 -7.249 1.00 0.00 N ATOM 0 H ARG A 87 24.274 4.549 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 87 26.276 6.560 -3.212 1.00 0.00 H new ATOM 0 HB2 ARG A 87 24.689 5.771 -5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 87 26.122 6.780 -5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 87 26.156 3.951 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 87 26.407 4.291 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 87 28.048 5.523 -4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 87 28.532 4.102 -4.945 1.00 0.00 H new ATOM 0 HE ARG A 87 27.917 6.461 -6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 87 30.357 4.599 -4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 87 31.701 5.270 -5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 87 29.649 7.317 -7.792 1.00 0.00 H new ATOM 0 HH22 ARG A 87 31.302 6.802 -7.441 1.00 0.00 H new ATOM 1355 N HIS A 88 23.170 7.447 -3.750 1.00 0.00 N ATOM 1356 CA HIS A 88 22.248 8.577 -3.735 1.00 0.00 C ATOM 1357 C HIS A 88 22.329 9.328 -2.410 1.00 0.00 C ATOM 1358 O HIS A 88 22.014 10.516 -2.339 1.00 0.00 O ATOM 1359 CB HIS A 88 20.816 8.097 -3.976 1.00 0.00 C ATOM 1360 CG HIS A 88 19.773 9.068 -3.516 1.00 0.00 C ATOM 1361 ND1 HIS A 88 19.456 10.217 -4.210 1.00 0.00 N ATOM 1362 CD2 HIS A 88 18.973 9.057 -2.425 1.00 0.00 C ATOM 1363 CE1 HIS A 88 18.506 10.870 -3.565 1.00 0.00 C ATOM 1364 NE2 HIS A 88 18.195 10.187 -2.479 1.00 0.00 N ATOM 0 H HIS A 88 22.718 6.534 -3.799 1.00 0.00 H new ATOM 0 HA HIS A 88 22.535 9.258 -4.536 1.00 0.00 H new ATOM 0 HB2 HIS A 88 20.680 7.907 -5.041 1.00 0.00 H new ATOM 0 HB3 HIS A 88 20.669 7.147 -3.462 1.00 0.00 H new ATOM 0 HD2 HIS A 88 18.951 8.300 -1.655 1.00 0.00 H new ATOM 0 HE1 HIS A 88 18.060 11.804 -3.874 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.491 10.455 -1.791 1.00 0.00 H new ATOM 1372 N GLN A 89 22.752 8.627 -1.363 1.00 0.00 N ATOM 1373 CA GLN A 89 22.873 9.228 -0.040 1.00 0.00 C ATOM 1374 C GLN A 89 24.300 9.701 0.215 1.00 0.00 C ATOM 1375 O GLN A 89 24.527 10.642 0.975 1.00 0.00 O ATOM 1376 CB GLN A 89 22.454 8.228 1.038 1.00 0.00 C ATOM 1377 CG GLN A 89 20.996 7.806 0.944 1.00 0.00 C ATOM 1378 CD GLN A 89 20.546 6.990 2.139 1.00 0.00 C ATOM 1379 OE1 GLN A 89 21.295 6.808 3.099 1.00 0.00 O ATOM 1380 NE2 GLN A 89 19.315 6.493 2.087 1.00 0.00 N ATOM 0 H GLN A 89 23.017 7.643 -1.405 1.00 0.00 H new ATOM 0 HA GLN A 89 22.211 10.093 0.000 1.00 0.00 H new ATOM 0 HB2 GLN A 89 23.085 7.342 0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 89 22.634 8.668 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.370 8.694 0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 89 20.848 7.223 0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.728 6.669 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.957 5.936 2.863 1.00 0.00 H new ATOM 1389 N VAL A 90 25.260 9.040 -0.425 1.00 0.00 N ATOM 1390 CA VAL A 90 26.666 9.393 -0.268 1.00 0.00 C ATOM 1391 C VAL A 90 27.064 10.509 -1.227 1.00 0.00 C ATOM 1392 O VAL A 90 28.014 11.249 -0.975 1.00 0.00 O ATOM 1393 CB VAL A 90 27.580 8.176 -0.506 1.00 0.00 C ATOM 1394 CG1 VAL A 90 29.042 8.595 -0.493 1.00 0.00 C ATOM 1395 CG2 VAL A 90 27.316 7.100 0.536 1.00 0.00 C ATOM 0 H VAL A 90 25.090 8.258 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 90 26.792 9.738 0.758 1.00 0.00 H new ATOM 0 HB VAL A 90 27.355 7.761 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.672 7.722 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.217 9.328 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 90 29.286 9.036 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.970 6.248 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 90 27.512 7.501 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 90 26.276 6.779 0.473 1.00 0.00 H new ATOM 1405 N GLU A 91 26.329 10.624 -2.329 1.00 0.00 N ATOM 1406 CA GLU A 91 26.606 11.650 -3.327 1.00 0.00 C ATOM 1407 C GLU A 91 25.783 12.907 -3.058 1.00 0.00 C ATOM 1408 O GLU A 91 26.225 14.023 -3.332 1.00 0.00 O ATOM 1409 CB GLU A 91 26.305 11.122 -4.732 1.00 0.00 C ATOM 1410 CG GLU A 91 27.247 10.018 -5.181 1.00 0.00 C ATOM 1411 CD GLU A 91 27.454 10.003 -6.683 1.00 0.00 C ATOM 1412 OE1 GLU A 91 26.593 10.544 -7.407 1.00 0.00 O ATOM 1413 OE2 GLU A 91 28.480 9.451 -7.134 1.00 0.00 O ATOM 0 H GLU A 91 25.538 10.020 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 91 27.663 11.907 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 91 25.281 10.748 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 91 26.362 11.948 -5.441 1.00 0.00 H new ATOM 0 HG2 GLU A 91 28.210 10.144 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 91 26.849 9.054 -4.863 1.00 0.00 H new ATOM 1420 N VAL A 92 24.582 12.717 -2.520 1.00 0.00 N ATOM 1421 CA VAL A 92 23.697 13.834 -2.213 1.00 0.00 C ATOM 1422 C VAL A 92 23.725 14.164 -0.725 1.00 0.00 C ATOM 1423 O VAL A 92 24.193 15.230 -0.323 1.00 0.00 O ATOM 1424 CB VAL A 92 22.246 13.532 -2.633 1.00 0.00 C ATOM 1425 CG1 VAL A 92 21.374 14.768 -2.466 1.00 0.00 C ATOM 1426 CG2 VAL A 92 22.201 13.028 -4.067 1.00 0.00 C ATOM 0 H VAL A 92 24.200 11.800 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 92 24.061 14.691 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 92 21.853 12.749 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 92 20.353 14.536 -2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 92 21.382 15.081 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 92 21.762 15.574 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 92 21.168 12.820 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 92 22.611 13.787 -4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 92 22.791 12.115 -4.151 1.00 0.00 H new ATOM 1436 N HIS A 93 23.221 13.243 0.090 1.00 0.00 N ATOM 1437 CA HIS A 93 23.189 13.435 1.536 1.00 0.00 C ATOM 1438 C HIS A 93 24.552 13.138 2.153 1.00 0.00 C ATOM 1439 O HIS A 93 24.714 13.180 3.372 1.00 0.00 O ATOM 1440 CB HIS A 93 22.123 12.540 2.167 1.00 0.00 C ATOM 1441 CG HIS A 93 20.748 12.768 1.620 1.00 0.00 C ATOM 1442 ND1 HIS A 93 19.849 13.647 2.186 1.00 0.00 N ATOM 1443 CD2 HIS A 93 20.120 12.227 0.550 1.00 0.00 C ATOM 1444 CE1 HIS A 93 18.727 13.635 1.488 1.00 0.00 C ATOM 1445 NE2 HIS A 93 18.866 12.782 0.490 1.00 0.00 N ATOM 0 H HIS A 93 22.829 12.356 -0.226 1.00 0.00 H new ATOM 0 HA HIS A 93 22.940 14.477 1.735 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.398 11.497 2.012 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.109 12.709 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 93 20.529 11.495 -0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 93 17.846 14.223 1.698 1.00 0.00 H new ATOM 0 HE2 HIS A 93 18.157 12.570 -0.212 1.00 0.00 H new ATOM 1453 N ASN A 94 25.528 12.835 1.304 1.00 0.00 N ATOM 1454 CA ASN A 94 26.877 12.529 1.767 1.00 0.00 C ATOM 1455 C ASN A 94 26.840 11.814 3.114 1.00 0.00 C ATOM 1456 O ASN A 94 27.471 12.252 4.076 1.00 0.00 O ATOM 1457 CB ASN A 94 27.704 13.811 1.879 1.00 0.00 C ATOM 1458 CG ASN A 94 27.593 14.681 0.642 1.00 0.00 C ATOM 1459 OD1 ASN A 94 28.070 14.316 -0.432 1.00 0.00 O ATOM 1460 ND2 ASN A 94 26.960 15.840 0.789 1.00 0.00 N ATOM 0 H ASN A 94 25.410 12.795 0.292 1.00 0.00 H new ATOM 0 HA ASN A 94 27.344 11.867 1.037 1.00 0.00 H new ATOM 0 HB2 ASN A 94 27.374 14.378 2.749 1.00 0.00 H new ATOM 0 HB3 ASN A 94 28.750 13.552 2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 94 26.854 16.468 -0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 94 26.580 16.102 1.699 1.00 0.00 H new ATOM 1467 N GLN A 95 26.099 10.713 3.174 1.00 0.00 N ATOM 1468 CA GLN A 95 25.980 9.938 4.403 1.00 0.00 C ATOM 1469 C GLN A 95 26.483 8.513 4.199 1.00 0.00 C ATOM 1470 O GLN A 95 25.700 7.600 3.936 1.00 0.00 O ATOM 1471 CB GLN A 95 24.526 9.916 4.879 1.00 0.00 C ATOM 1472 CG GLN A 95 24.132 11.142 5.687 1.00 0.00 C ATOM 1473 CD GLN A 95 24.367 10.961 7.173 1.00 0.00 C ATOM 1474 OE1 GLN A 95 25.239 11.605 7.758 1.00 0.00 O ATOM 1475 NE2 GLN A 95 23.589 10.083 7.794 1.00 0.00 N ATOM 0 H GLN A 95 25.572 10.337 2.386 1.00 0.00 H new ATOM 0 HA GLN A 95 26.596 10.415 5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 95 23.870 9.836 4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 95 24.364 9.024 5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 95 24.701 12.003 5.335 1.00 0.00 H new ATOM 0 HG3 GLN A 95 23.079 11.364 5.514 1.00 0.00 H new ATOM 0 HE21 GLN A 95 22.879 9.571 7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 95 23.701 9.920 8.795 1.00 0.00 H new ATOM 1484 N ASN A 96 27.793 8.329 4.322 1.00 0.00 N ATOM 1485 CA ASN A 96 28.400 7.014 4.150 1.00 0.00 C ATOM 1486 C ASN A 96 28.237 6.170 5.410 1.00 0.00 C ATOM 1487 O ASN A 96 29.161 6.052 6.214 1.00 0.00 O ATOM 1488 CB ASN A 96 29.884 7.156 3.806 1.00 0.00 C ATOM 1489 CG ASN A 96 30.503 5.844 3.364 1.00 0.00 C ATOM 1490 OD1 ASN A 96 30.770 4.964 4.182 1.00 0.00 O ATOM 1491 ND2 ASN A 96 30.736 5.708 2.064 1.00 0.00 N ATOM 0 H ASN A 96 28.455 9.074 4.540 1.00 0.00 H new ATOM 0 HA ASN A 96 27.890 6.510 3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 96 30.001 7.895 3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 96 30.421 7.533 4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 96 31.152 4.848 1.708 1.00 0.00 H new ATOM 0 HD22 ASN A 96 30.499 6.464 1.422 1.00 0.00 H new