USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 972 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 116 SER OG : rot -145:sc= 0.578 USER MOD Set 1.2: A 118 THR OG1 : rot -160:sc= 0.142 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -2.72! C(o=-2.8!,f=-5.4!) USER MOD Set 2.2: A 100 MET CE :methyl -170:sc= -0.0156 (180deg=-0.174) USER MOD Set 2.3: A 112 MET CE :methyl 169:sc= -0.0209 (180deg=0) USER MOD Set 3.1: A 22 GLN : amide:sc= -1.61 K(o=-3.1,f=-3.9) USER MOD Set 3.2: A 34 LYS NZ :NH3+ 147:sc= -1.52 (180deg=-2.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= -0.0173 (180deg=-0.15) USER MOD Single : A 13 SER OG : rot -70:sc= 0.0398 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -2.98 K(o=-3,f=-5.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.137 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 0.325 (180deg=0.322) USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= 1.15 (180deg=0.657) USER MOD Single : A 44 THR OG1 : rot 76:sc= 0.697 USER MOD Single : A 56 HIS : no HD1:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 57 SER OG : rot 89:sc= 1.21 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0698) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.077) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -171:sc= -0.849 (180deg=-0.97) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 151:sc= 0 (180deg=-0.137) USER MOD Single : A 73 GLN : amide:sc= -0.938 K(o=-0.94,f=-0.1) USER MOD Single : A 77 THR OG1 : rot -166:sc= -0.777 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -164:sc= -0.0451 (180deg=-0.313) USER MOD Single : A 81 GLN : amide:sc= -0.877 K(o=-0.88,f=0) USER MOD Single : A 84 MET CE :methyl -143:sc= -2.23 (180deg=-4.91!) USER MOD Single : A 86 LYS NZ :NH3+ 142:sc= 0.0631 (180deg=-0.0027) USER MOD Single : A 88 LYS NZ :NH3+ -169:sc=-0.00138 (180deg=-0.12) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -29:sc= 0.481 USER MOD Single : A 101 THR OG1 : rot -58:sc= 0.387 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot -170:sc= -0.0107 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -9.482 -4.076 3.669 1.00 0.00 N ATOM 72 CA GLU A 5 -8.461 -3.681 4.662 1.00 0.00 C ATOM 73 C GLU A 5 -8.083 -2.184 4.658 1.00 0.00 C ATOM 74 O GLU A 5 -7.402 -1.746 5.569 1.00 0.00 O ATOM 75 CB GLU A 5 -7.174 -4.542 4.439 1.00 0.00 C ATOM 76 CG GLU A 5 -7.331 -6.085 4.580 1.00 0.00 C ATOM 77 CD GLU A 5 -8.280 -6.753 3.552 1.00 0.00 C ATOM 78 OE1 GLU A 5 -8.059 -6.588 2.335 1.00 0.00 O ATOM 79 OE2 GLU A 5 -9.259 -7.424 3.949 1.00 0.00 O ATOM 0 HA GLU A 5 -8.911 -3.863 5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.791 -4.329 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.416 -4.211 5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.346 -6.543 4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.696 -6.306 5.583 1.00 0.00 H new ATOM 86 N LYS A 6 -8.435 -1.455 3.583 1.00 0.00 N ATOM 87 CA LYS A 6 -8.276 0.047 3.621 1.00 0.00 C ATOM 88 C LYS A 6 -8.883 0.685 4.916 1.00 0.00 C ATOM 89 O LYS A 6 -8.384 1.706 5.402 1.00 0.00 O ATOM 90 CB LYS A 6 -8.855 0.759 2.366 1.00 0.00 C ATOM 91 CG LYS A 6 -8.020 0.574 1.064 1.00 0.00 C ATOM 92 CD LYS A 6 -8.503 -0.589 0.174 1.00 0.00 C ATOM 93 CE LYS A 6 -9.925 -0.351 -0.365 1.00 0.00 C ATOM 94 NZ LYS A 6 -10.311 -1.354 -1.384 1.00 0.00 N ATOM 0 H LYS A 6 -8.812 -1.835 2.715 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.198 0.207 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.864 0.388 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.940 1.825 2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.054 1.498 0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.978 0.404 1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.815 -0.716 -0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.483 -1.516 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.635 -0.383 0.461 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.985 0.647 -0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.275 -1.155 -1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.650 -1.307 -2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.280 -2.305 -0.964 1.00 0.00 H new ATOM 108 N ASN A 7 -9.927 0.038 5.476 1.00 0.00 N ATOM 109 CA ASN A 7 -10.531 0.470 6.759 1.00 0.00 C ATOM 110 C ASN A 7 -9.582 0.159 7.942 1.00 0.00 C ATOM 111 O ASN A 7 -9.425 0.961 8.863 1.00 0.00 O ATOM 112 CB ASN A 7 -11.878 -0.256 6.980 1.00 0.00 C ATOM 113 CG ASN A 7 -12.887 -0.024 5.855 1.00 0.00 C ATOM 114 OD1 ASN A 7 -12.916 1.032 5.228 1.00 0.00 O ATOM 115 ND2 ASN A 7 -13.709 -1.020 5.575 1.00 0.00 N ATOM 0 H ASN A 7 -10.370 -0.783 5.063 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.698 1.546 6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.693 -1.326 7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.312 0.079 7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.390 -0.923 4.822 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.663 -1.886 6.112 1.00 0.00 H new ATOM 122 N GLU A 8 -8.987 -1.043 7.883 1.00 0.00 N ATOM 123 CA GLU A 8 -7.973 -1.526 8.859 1.00 0.00 C ATOM 124 C GLU A 8 -6.729 -0.603 8.889 1.00 0.00 C ATOM 125 O GLU A 8 -6.308 -0.156 9.966 1.00 0.00 O ATOM 126 CB GLU A 8 -7.559 -2.997 8.525 1.00 0.00 C ATOM 127 CG GLU A 8 -8.551 -4.104 8.967 1.00 0.00 C ATOM 128 CD GLU A 8 -10.033 -3.861 8.595 1.00 0.00 C ATOM 129 OE1 GLU A 8 -10.347 -3.673 7.400 1.00 0.00 O ATOM 130 OE2 GLU A 8 -10.897 -3.890 9.501 1.00 0.00 O ATOM 0 H GLU A 8 -9.193 -1.722 7.150 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.424 -1.503 9.851 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.415 -3.076 7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.594 -3.196 8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.234 -5.048 8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.481 -4.219 10.049 1.00 0.00 H new ATOM 137 N ILE A 9 -6.135 -0.340 7.706 1.00 0.00 N ATOM 138 CA ILE A 9 -4.968 0.555 7.557 1.00 0.00 C ATOM 139 C ILE A 9 -5.279 1.999 8.009 1.00 0.00 C ATOM 140 O ILE A 9 -4.453 2.625 8.675 1.00 0.00 O ATOM 141 CB ILE A 9 -4.440 0.541 6.067 1.00 0.00 C ATOM 142 CG1 ILE A 9 -4.031 -0.913 5.630 1.00 0.00 C ATOM 143 CG2 ILE A 9 -3.266 1.537 5.858 1.00 0.00 C ATOM 144 CD1 ILE A 9 -2.878 -1.537 6.427 1.00 0.00 C ATOM 0 H ILE A 9 -6.452 -0.744 6.825 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.185 0.173 8.212 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.260 0.872 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.904 -1.560 5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.754 -0.893 4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.934 1.495 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.600 2.548 6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.439 1.268 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.674 -2.538 6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.986 -0.920 6.320 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.154 -1.597 7.480 1.00 0.00 H new ATOM 156 N LYS A 10 -6.468 2.512 7.647 1.00 0.00 N ATOM 157 CA LYS A 10 -6.903 3.871 8.047 1.00 0.00 C ATOM 158 C LYS A 10 -7.031 3.977 9.590 1.00 0.00 C ATOM 159 O LYS A 10 -6.656 4.977 10.182 1.00 0.00 O ATOM 160 CB LYS A 10 -8.238 4.237 7.347 1.00 0.00 C ATOM 161 CG LYS A 10 -8.779 5.649 7.672 1.00 0.00 C ATOM 162 CD LYS A 10 -7.820 6.789 7.249 1.00 0.00 C ATOM 163 CE LYS A 10 -8.387 8.182 7.575 1.00 0.00 C ATOM 164 NZ LYS A 10 -9.704 8.420 6.925 1.00 0.00 N ATOM 0 H LYS A 10 -7.149 2.009 7.078 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.145 4.586 7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.100 4.156 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.992 3.502 7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.738 5.787 7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.966 5.720 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.863 6.662 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.627 6.719 6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.493 8.285 8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.680 8.945 7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.959 9.424 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.645 8.167 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.430 7.835 7.387 1.00 0.00 H new ATOM 178 N ARG A 11 -7.628 2.941 10.172 1.00 0.00 N ATOM 179 CA ARG A 11 -7.693 2.740 11.635 1.00 0.00 C ATOM 180 C ARG A 11 -6.304 2.892 12.322 1.00 0.00 C ATOM 181 O ARG A 11 -6.130 3.758 13.195 1.00 0.00 O ATOM 182 CB ARG A 11 -8.299 1.362 11.945 1.00 0.00 C ATOM 183 CG ARG A 11 -8.459 1.026 13.441 1.00 0.00 C ATOM 184 CD ARG A 11 -9.036 -0.384 13.643 1.00 0.00 C ATOM 185 NE ARG A 11 -10.254 -0.586 12.832 1.00 0.00 N ATOM 186 CZ ARG A 11 -10.469 -1.604 11.990 1.00 0.00 C ATOM 187 NH1 ARG A 11 -9.593 -2.595 11.874 1.00 0.00 N ATOM 188 NH2 ARG A 11 -11.565 -1.630 11.262 1.00 0.00 N ATOM 0 H ARG A 11 -8.090 2.202 9.642 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.332 3.522 12.044 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.278 1.301 11.470 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.673 0.598 11.484 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.491 1.099 13.937 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.114 1.759 13.912 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.288 -1.128 13.371 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.269 -0.537 14.697 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.994 0.110 12.921 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.739 -2.589 12.432 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.774 -3.363 11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.247 -0.876 11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.732 -2.404 10.619 1.00 0.00 H new ATOM 202 N LEU A 12 -5.322 2.045 11.932 1.00 0.00 N ATOM 203 CA LEU A 12 -3.985 2.021 12.591 1.00 0.00 C ATOM 204 C LEU A 12 -3.160 3.315 12.329 1.00 0.00 C ATOM 205 O LEU A 12 -2.408 3.760 13.204 1.00 0.00 O ATOM 206 CB LEU A 12 -3.202 0.717 12.226 1.00 0.00 C ATOM 207 CG LEU A 12 -2.943 0.423 10.703 1.00 0.00 C ATOM 208 CD1 LEU A 12 -1.641 1.082 10.171 1.00 0.00 C ATOM 209 CD2 LEU A 12 -2.968 -1.097 10.400 1.00 0.00 C ATOM 0 H LEU A 12 -5.424 1.373 11.171 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.156 2.004 13.667 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.236 0.754 12.730 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.747 -0.130 12.643 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.768 0.887 10.163 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.517 0.843 9.115 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.704 2.163 10.293 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.786 0.703 10.731 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.785 -1.259 9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.194 -1.597 10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.943 -1.505 10.667 1.00 0.00 H new ATOM 221 N SER A 13 -3.226 3.835 11.095 1.00 0.00 N ATOM 222 CA SER A 13 -2.653 5.173 10.788 1.00 0.00 C ATOM 223 C SER A 13 -3.268 6.270 11.693 1.00 0.00 C ATOM 224 O SER A 13 -2.539 7.072 12.259 1.00 0.00 O ATOM 225 CB SER A 13 -2.832 5.528 9.298 1.00 0.00 C ATOM 226 OG SER A 13 -4.194 5.581 8.939 1.00 0.00 O ATOM 0 H SER A 13 -3.660 3.367 10.299 1.00 0.00 H new ATOM 0 HA SER A 13 -1.584 5.127 10.997 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.363 6.491 9.093 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.321 4.787 8.683 1.00 0.00 H new ATOM 0 HG SER A 13 -4.569 4.676 8.944 1.00 0.00 H new ATOM 232 N ASP A 14 -4.619 6.304 11.784 1.00 0.00 N ATOM 233 CA ASP A 14 -5.360 7.187 12.736 1.00 0.00 C ATOM 234 C ASP A 14 -4.971 6.933 14.215 1.00 0.00 C ATOM 235 O ASP A 14 -5.105 7.829 15.061 1.00 0.00 O ATOM 236 CB ASP A 14 -6.889 6.966 12.559 1.00 0.00 C ATOM 237 CG ASP A 14 -7.749 8.008 13.288 1.00 0.00 C ATOM 238 OD1 ASP A 14 -7.865 9.150 12.786 1.00 0.00 O ATOM 239 OD2 ASP A 14 -8.289 7.703 14.373 1.00 0.00 O ATOM 0 H ASP A 14 -5.229 5.726 11.206 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.088 8.216 12.502 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.130 6.988 11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.149 5.973 12.925 1.00 0.00 H new ATOM 244 N ARG A 15 -4.489 5.705 14.489 1.00 0.00 N ATOM 245 CA ARG A 15 -4.018 5.332 15.838 1.00 0.00 C ATOM 246 C ARG A 15 -2.731 6.107 16.144 1.00 0.00 C ATOM 247 O ARG A 15 -2.651 6.834 17.144 1.00 0.00 O ATOM 248 CB ARG A 15 -3.774 3.799 15.974 1.00 0.00 C ATOM 249 CG ARG A 15 -3.271 3.351 17.365 1.00 0.00 C ATOM 250 CD ARG A 15 -4.197 3.791 18.498 1.00 0.00 C ATOM 251 NE ARG A 15 -3.623 3.487 19.813 1.00 0.00 N ATOM 252 CZ ARG A 15 -4.260 3.634 20.979 1.00 0.00 C ATOM 253 NH1 ARG A 15 -5.511 4.074 21.026 1.00 0.00 N ATOM 254 NH2 ARG A 15 -3.639 3.324 22.104 1.00 0.00 N ATOM 0 H ARG A 15 -4.416 4.958 13.798 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.795 5.591 16.557 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.703 3.275 15.752 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.047 3.492 15.222 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.176 2.265 17.380 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.275 3.760 17.536 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.384 4.862 18.421 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.160 3.291 18.396 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.665 3.137 19.840 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.003 4.306 20.163 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.981 4.180 21.925 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.681 2.976 22.078 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.118 3.433 22.998 1.00 0.00 H new ATOM 268 N LEU A 16 -1.746 5.969 15.245 1.00 0.00 N ATOM 269 CA LEU A 16 -0.437 6.612 15.391 1.00 0.00 C ATOM 270 C LEU A 16 -0.596 8.147 15.295 1.00 0.00 C ATOM 271 O LEU A 16 0.098 8.876 15.999 1.00 0.00 O ATOM 272 CB LEU A 16 0.551 6.046 14.313 1.00 0.00 C ATOM 273 CG LEU A 16 2.098 6.168 14.597 1.00 0.00 C ATOM 274 CD1 LEU A 16 2.636 7.607 14.430 1.00 0.00 C ATOM 275 CD2 LEU A 16 2.464 5.592 15.989 1.00 0.00 C ATOM 0 H LEU A 16 -1.837 5.408 14.398 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.015 6.389 16.371 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.319 4.991 14.168 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.343 6.551 13.370 1.00 0.00 H new ATOM 0 HG LEU A 16 2.593 5.566 13.835 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.706 7.622 14.640 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.462 7.944 13.408 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.121 8.271 15.124 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.537 5.692 16.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.926 6.140 16.762 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.187 4.539 16.031 1.00 0.00 H new ATOM 287 N ASP A 17 -1.474 8.629 14.387 1.00 0.00 N ATOM 288 CA ASP A 17 -1.780 10.069 14.276 1.00 0.00 C ATOM 289 C ASP A 17 -2.315 10.654 15.606 1.00 0.00 C ATOM 290 O ASP A 17 -1.860 11.714 16.043 1.00 0.00 O ATOM 291 CB ASP A 17 -2.787 10.318 13.126 1.00 0.00 C ATOM 292 CG ASP A 17 -3.050 11.814 12.882 1.00 0.00 C ATOM 293 OD1 ASP A 17 -2.205 12.474 12.235 1.00 0.00 O ATOM 294 OD2 ASP A 17 -4.083 12.341 13.348 1.00 0.00 O ATOM 0 H ASP A 17 -1.980 8.043 13.724 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.847 10.586 14.049 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.406 9.866 12.210 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.729 9.821 13.359 1.00 0.00 H new ATOM 299 N ALA A 18 -3.335 10.012 16.197 1.00 0.00 N ATOM 300 CA ALA A 18 -3.762 10.270 17.587 1.00 0.00 C ATOM 301 C ALA A 18 -2.579 10.308 18.578 1.00 0.00 C ATOM 302 O ALA A 18 -2.533 11.187 19.440 1.00 0.00 O ATOM 303 CB ALA A 18 -4.799 9.232 18.027 1.00 0.00 C ATOM 0 H ALA A 18 -3.890 9.297 15.726 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.215 11.261 17.601 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.104 9.435 19.054 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.669 9.286 17.372 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.363 8.235 17.969 1.00 0.00 H new ATOM 309 N ILE A 19 -1.614 9.367 18.431 1.00 0.00 N ATOM 310 CA ILE A 19 -0.427 9.283 19.310 1.00 0.00 C ATOM 311 C ILE A 19 0.434 10.560 19.161 1.00 0.00 C ATOM 312 O ILE A 19 0.728 11.223 20.161 1.00 0.00 O ATOM 313 CB ILE A 19 0.435 7.984 19.040 1.00 0.00 C ATOM 314 CG1 ILE A 19 -0.376 6.681 19.352 1.00 0.00 C ATOM 315 CG2 ILE A 19 1.771 7.996 19.828 1.00 0.00 C ATOM 316 CD1 ILE A 19 -0.629 6.397 20.828 1.00 0.00 C ATOM 0 H ILE A 19 -1.638 8.651 17.705 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.784 9.210 20.337 1.00 0.00 H new ATOM 0 HB ILE A 19 0.679 7.988 17.978 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.338 6.743 18.843 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.157 5.832 18.924 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.329 7.085 19.612 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.361 8.863 19.530 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.563 8.049 20.897 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.198 5.473 20.928 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.324 6.295 21.347 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.194 7.220 21.265 1.00 0.00 H new ATOM 328 N ARG A 20 0.813 10.935 17.913 1.00 0.00 N ATOM 329 CA ARG A 20 1.665 12.108 17.656 1.00 0.00 C ATOM 330 C ARG A 20 0.991 13.424 18.070 1.00 0.00 C ATOM 331 O ARG A 20 1.664 14.269 18.659 1.00 0.00 O ATOM 332 CB ARG A 20 2.133 12.192 16.169 1.00 0.00 C ATOM 333 CG ARG A 20 0.994 12.176 15.135 1.00 0.00 C ATOM 334 CD ARG A 20 1.402 12.593 13.713 1.00 0.00 C ATOM 335 NE ARG A 20 1.644 14.041 13.621 1.00 0.00 N ATOM 336 CZ ARG A 20 0.973 14.890 12.822 1.00 0.00 C ATOM 337 NH1 ARG A 20 -0.008 14.464 12.036 1.00 0.00 N ATOM 338 NH2 ARG A 20 1.289 16.171 12.819 1.00 0.00 N ATOM 0 H ARG A 20 0.536 10.434 17.069 1.00 0.00 H new ATOM 0 HA ARG A 20 2.547 11.968 18.281 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.713 13.105 16.036 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.802 11.356 15.965 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.573 11.171 15.096 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.202 12.841 15.479 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.303 12.054 13.420 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.618 12.309 13.011 1.00 0.00 H new ATOM 0 HE ARG A 20 2.379 14.432 14.210 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.265 13.477 12.031 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.505 15.124 11.437 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.039 16.513 13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.784 16.820 12.215 1.00 0.00 H new ATOM 352 N HIS A 21 -0.319 13.628 17.784 1.00 0.00 N ATOM 353 CA HIS A 21 -1.056 14.859 18.129 1.00 0.00 C ATOM 354 C HIS A 21 -1.200 15.059 19.635 1.00 0.00 C ATOM 355 O HIS A 21 -0.982 16.164 20.160 1.00 0.00 O ATOM 356 CB HIS A 21 -2.468 14.754 17.493 1.00 0.00 C ATOM 357 CG HIS A 21 -3.245 16.044 17.464 1.00 0.00 C ATOM 358 ND1 HIS A 21 -4.179 16.383 18.418 1.00 0.00 N ATOM 359 CD2 HIS A 21 -3.219 17.078 16.588 1.00 0.00 C ATOM 360 CE1 HIS A 21 -4.693 17.561 18.132 1.00 0.00 C ATOM 361 NE2 HIS A 21 -4.127 18.007 17.028 1.00 0.00 N ATOM 0 H HIS A 21 -0.893 12.935 17.304 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.497 15.714 17.748 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -2.365 14.385 16.472 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -3.045 14.011 18.044 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.599 17.156 15.707 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -5.450 18.075 18.705 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.331 18.898 16.575 1.00 0.00 H new ATOM 370 N GLN A 22 -1.604 13.969 20.303 1.00 0.00 N ATOM 371 CA GLN A 22 -1.790 13.988 21.759 1.00 0.00 C ATOM 372 C GLN A 22 -0.447 14.319 22.425 1.00 0.00 C ATOM 373 O GLN A 22 -0.410 15.094 23.356 1.00 0.00 O ATOM 374 CB GLN A 22 -2.423 12.680 22.307 1.00 0.00 C ATOM 375 CG GLN A 22 -1.465 11.502 22.505 1.00 0.00 C ATOM 376 CD GLN A 22 -2.176 10.220 22.921 1.00 0.00 C ATOM 377 OE1 GLN A 22 -2.388 9.959 24.108 1.00 0.00 O ATOM 378 NE2 GLN A 22 -2.558 9.416 21.949 1.00 0.00 N ATOM 0 H GLN A 22 -1.806 13.072 19.862 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.512 14.766 22.008 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -2.897 12.902 23.263 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.214 12.369 21.624 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.920 11.324 21.578 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.727 11.764 23.263 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.366 9.663 20.978 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.045 8.547 22.168 1.00 0.00 H new ATOM 387 N GLN A 23 0.665 13.810 21.838 1.00 0.00 N ATOM 388 CA GLN A 23 2.028 14.087 22.326 1.00 0.00 C ATOM 389 C GLN A 23 2.551 15.447 21.871 1.00 0.00 C ATOM 390 O GLN A 23 3.540 15.919 22.414 1.00 0.00 O ATOM 391 CB GLN A 23 3.001 13.001 21.862 1.00 0.00 C ATOM 392 CG GLN A 23 2.796 11.667 22.553 1.00 0.00 C ATOM 393 CD GLN A 23 3.903 10.684 22.237 1.00 0.00 C ATOM 394 OE1 GLN A 23 3.831 9.953 21.275 1.00 0.00 O ATOM 395 NE2 GLN A 23 4.918 10.636 23.077 1.00 0.00 N ATOM 0 H GLN A 23 0.637 13.201 21.020 1.00 0.00 H new ATOM 0 HA GLN A 23 1.965 14.095 23.414 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.893 12.864 20.786 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.022 13.340 22.039 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.746 11.822 23.631 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.839 11.245 22.247 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.947 11.267 23.878 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.674 9.968 22.926 1.00 0.00 H new ATOM 404 N ALA A 24 1.962 16.029 20.821 1.00 0.00 N ATOM 405 CA ALA A 24 2.238 17.423 20.459 1.00 0.00 C ATOM 406 C ALA A 24 1.814 18.335 21.616 1.00 0.00 C ATOM 407 O ALA A 24 2.625 19.120 22.112 1.00 0.00 O ATOM 408 CB ALA A 24 1.539 17.809 19.147 1.00 0.00 C ATOM 0 H ALA A 24 1.294 15.559 20.210 1.00 0.00 H new ATOM 0 HA ALA A 24 3.308 17.544 20.288 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.764 18.848 18.907 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.895 17.166 18.342 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.462 17.688 19.259 1.00 0.00 H new ATOM 414 N ASP A 25 0.537 18.214 22.041 1.00 0.00 N ATOM 415 CA ASP A 25 0.031 18.955 23.219 1.00 0.00 C ATOM 416 C ASP A 25 0.687 18.488 24.538 1.00 0.00 C ATOM 417 O ASP A 25 0.815 19.274 25.476 1.00 0.00 O ATOM 418 CB ASP A 25 -1.510 18.793 23.298 1.00 0.00 C ATOM 419 CG ASP A 25 -2.222 19.357 22.057 1.00 0.00 C ATOM 420 OD1 ASP A 25 -2.428 18.609 21.073 1.00 0.00 O ATOM 421 OD2 ASP A 25 -2.560 20.557 22.043 1.00 0.00 O ATOM 0 H ASP A 25 -0.157 17.617 21.591 1.00 0.00 H new ATOM 0 HA ASP A 25 0.294 20.005 23.093 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.757 17.737 23.407 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.881 19.300 24.189 1.00 0.00 H new ATOM 426 N LEU A 26 1.093 17.211 24.592 1.00 0.00 N ATOM 427 CA LEU A 26 1.766 16.674 25.800 1.00 0.00 C ATOM 428 C LEU A 26 3.271 16.831 25.656 1.00 0.00 C ATOM 429 O LEU A 26 3.930 16.035 24.993 1.00 0.00 O ATOM 430 CB LEU A 26 1.387 15.198 26.082 1.00 0.00 C ATOM 431 CG LEU A 26 -0.127 14.932 26.357 1.00 0.00 C ATOM 432 CD1 LEU A 26 -0.392 13.468 26.733 1.00 0.00 C ATOM 433 CD2 LEU A 26 -0.697 15.902 27.410 1.00 0.00 C ATOM 0 H LEU A 26 0.974 16.538 23.835 1.00 0.00 H new ATOM 0 HA LEU A 26 1.421 17.250 26.659 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.695 14.593 25.229 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.961 14.852 26.942 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.657 15.123 25.424 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.457 13.326 26.916 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.075 12.819 25.916 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.167 13.217 27.634 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.752 15.684 27.572 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.153 15.782 28.347 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.589 16.927 27.056 1.00 0.00 H new ATOM 445 N SER A 27 3.805 17.860 26.306 1.00 0.00 N ATOM 446 CA SER A 27 5.232 18.157 26.252 1.00 0.00 C ATOM 447 C SER A 27 6.005 17.266 27.227 1.00 0.00 C ATOM 448 O SER A 27 5.440 16.708 28.179 1.00 0.00 O ATOM 449 CB SER A 27 5.479 19.652 26.572 1.00 0.00 C ATOM 450 OG SER A 27 6.861 19.982 26.590 1.00 0.00 O ATOM 0 H SER A 27 3.266 18.507 26.881 1.00 0.00 H new ATOM 0 HA SER A 27 5.591 17.951 25.244 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.971 20.268 25.830 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.039 19.891 27.540 1.00 0.00 H new ATOM 0 HG SER A 27 6.967 20.935 26.794 1.00 0.00 H new ATOM 456 N LEU A 28 7.303 17.152 26.956 1.00 0.00 N ATOM 457 CA LEU A 28 8.290 16.536 27.850 1.00 0.00 C ATOM 458 C LEU A 28 8.351 17.291 29.199 1.00 0.00 C ATOM 459 O LEU A 28 8.592 16.686 30.245 1.00 0.00 O ATOM 460 CB LEU A 28 9.659 16.526 27.105 1.00 0.00 C ATOM 461 CG LEU A 28 10.906 15.955 27.878 1.00 0.00 C ATOM 462 CD1 LEU A 28 11.826 15.139 26.951 1.00 0.00 C ATOM 463 CD2 LEU A 28 11.708 17.074 28.580 1.00 0.00 C ATOM 0 H LEU A 28 7.712 17.494 26.086 1.00 0.00 H new ATOM 0 HA LEU A 28 8.011 15.511 28.095 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.538 15.948 26.189 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.888 17.550 26.809 1.00 0.00 H new ATOM 0 HG LEU A 28 10.516 15.286 28.645 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.675 14.762 27.521 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.269 14.301 26.532 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.186 15.776 26.143 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.560 16.638 29.102 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.064 17.788 27.837 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.067 17.586 29.297 1.00 0.00 H new ATOM 475 N VAL A 29 8.111 18.615 29.154 1.00 0.00 N ATOM 476 CA VAL A 29 8.147 19.490 30.348 1.00 0.00 C ATOM 477 C VAL A 29 6.885 19.288 31.222 1.00 0.00 C ATOM 478 O VAL A 29 6.992 19.019 32.425 1.00 0.00 O ATOM 479 CB VAL A 29 8.274 21.012 29.945 1.00 0.00 C ATOM 480 CG1 VAL A 29 8.412 21.934 31.186 1.00 0.00 C ATOM 481 CG2 VAL A 29 9.443 21.232 28.955 1.00 0.00 C ATOM 0 H VAL A 29 7.887 19.111 28.291 1.00 0.00 H new ATOM 0 HA VAL A 29 9.028 19.209 30.925 1.00 0.00 H new ATOM 0 HB VAL A 29 7.347 21.288 29.442 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.496 22.971 30.861 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.533 21.823 31.821 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.303 21.656 31.748 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.506 22.289 28.696 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.377 20.916 29.419 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.270 20.646 28.052 1.00 0.00 H new ATOM 491 N GLU A 30 5.697 19.381 30.591 1.00 0.00 N ATOM 492 CA GLU A 30 4.405 19.445 31.330 1.00 0.00 C ATOM 493 C GLU A 30 3.884 18.049 31.710 1.00 0.00 C ATOM 494 O GLU A 30 3.200 17.897 32.720 1.00 0.00 O ATOM 495 CB GLU A 30 3.331 20.199 30.499 1.00 0.00 C ATOM 496 CG GLU A 30 2.868 19.456 29.233 1.00 0.00 C ATOM 497 CD GLU A 30 1.994 20.310 28.313 1.00 0.00 C ATOM 498 OE1 GLU A 30 0.760 20.345 28.501 1.00 0.00 O ATOM 499 OE2 GLU A 30 2.545 20.961 27.405 1.00 0.00 O ATOM 0 H GLU A 30 5.598 19.414 29.576 1.00 0.00 H new ATOM 0 HA GLU A 30 4.597 19.993 32.253 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.464 20.386 31.133 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.730 21.171 30.209 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.743 19.117 28.679 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.312 18.565 29.526 1.00 0.00 H new ATOM 506 N ALA A 31 4.218 17.042 30.898 1.00 0.00 N ATOM 507 CA ALA A 31 3.718 15.673 31.062 1.00 0.00 C ATOM 508 C ALA A 31 4.853 14.699 30.747 1.00 0.00 C ATOM 509 O ALA A 31 4.785 13.950 29.788 1.00 0.00 O ATOM 510 CB ALA A 31 2.477 15.450 30.161 1.00 0.00 C ATOM 0 H ALA A 31 4.847 17.154 30.103 1.00 0.00 H new ATOM 0 HA ALA A 31 3.395 15.499 32.089 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.113 14.431 30.289 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.693 16.154 30.441 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.751 15.609 29.118 1.00 0.00 H new ATOM 516 N ALA A 32 5.910 14.754 31.582 1.00 0.00 N ATOM 517 CA ALA A 32 7.150 13.970 31.407 1.00 0.00 C ATOM 518 C ALA A 32 6.862 12.464 31.291 1.00 0.00 C ATOM 519 O ALA A 32 7.370 11.802 30.383 1.00 0.00 O ATOM 520 CB ALA A 32 8.116 14.245 32.574 1.00 0.00 C ATOM 0 H ALA A 32 5.927 15.352 32.408 1.00 0.00 H new ATOM 0 HA ALA A 32 7.615 14.285 30.473 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.027 13.663 32.437 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.364 15.306 32.599 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.642 13.961 33.513 1.00 0.00 H new ATOM 526 N ASP A 33 6.032 11.960 32.210 1.00 0.00 N ATOM 527 CA ASP A 33 5.633 10.542 32.270 1.00 0.00 C ATOM 528 C ASP A 33 4.741 10.174 31.077 1.00 0.00 C ATOM 529 O ASP A 33 5.106 9.317 30.284 1.00 0.00 O ATOM 530 CB ASP A 33 4.912 10.227 33.603 1.00 0.00 C ATOM 531 CG ASP A 33 4.488 8.744 33.721 1.00 0.00 C ATOM 532 OD1 ASP A 33 5.310 7.913 34.160 1.00 0.00 O ATOM 533 OD2 ASP A 33 3.337 8.405 33.364 1.00 0.00 O ATOM 0 H ASP A 33 5.611 12.529 32.944 1.00 0.00 H new ATOM 0 HA ASP A 33 6.539 9.937 32.220 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.570 10.479 34.435 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.029 10.860 33.692 1.00 0.00 H new ATOM 538 N LYS A 34 3.557 10.821 31.000 1.00 0.00 N ATOM 539 CA LYS A 34 2.551 10.585 29.924 1.00 0.00 C ATOM 540 C LYS A 34 3.209 10.617 28.515 1.00 0.00 C ATOM 541 O LYS A 34 2.934 9.759 27.679 1.00 0.00 O ATOM 542 CB LYS A 34 1.395 11.646 30.033 1.00 0.00 C ATOM 543 CG LYS A 34 -0.052 11.094 29.889 1.00 0.00 C ATOM 544 CD LYS A 34 -0.290 10.326 28.576 1.00 0.00 C ATOM 545 CE LYS A 34 -1.761 9.936 28.349 1.00 0.00 C ATOM 546 NZ LYS A 34 -1.946 9.202 27.069 1.00 0.00 N ATOM 0 H LYS A 34 3.265 11.523 31.680 1.00 0.00 H new ATOM 0 HA LYS A 34 2.128 9.589 30.059 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.478 12.146 30.998 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.551 12.405 29.266 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.266 10.434 30.730 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.756 11.924 29.948 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.048 10.938 27.740 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.321 9.423 28.577 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.105 9.316 29.177 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.379 10.834 28.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.711 8.506 27.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.193 9.875 26.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.064 8.711 26.820 1.00 0.00 H new ATOM 560 N TYR A 35 4.126 11.575 28.315 1.00 0.00 N ATOM 561 CA TYR A 35 4.854 11.743 27.044 1.00 0.00 C ATOM 562 C TYR A 35 5.820 10.567 26.829 1.00 0.00 C ATOM 563 O TYR A 35 5.880 10.012 25.735 1.00 0.00 O ATOM 564 CB TYR A 35 5.627 13.082 27.022 1.00 0.00 C ATOM 565 CG TYR A 35 6.424 13.335 25.731 1.00 0.00 C ATOM 566 CD1 TYR A 35 5.767 13.621 24.536 1.00 0.00 C ATOM 567 CD2 TYR A 35 7.824 13.287 25.704 1.00 0.00 C ATOM 568 CE1 TYR A 35 6.463 13.839 23.372 1.00 0.00 C ATOM 569 CE2 TYR A 35 8.524 13.511 24.534 1.00 0.00 C ATOM 570 CZ TYR A 35 7.836 13.792 23.374 1.00 0.00 C ATOM 571 OH TYR A 35 8.523 14.013 22.202 1.00 0.00 O ATOM 0 H TYR A 35 4.385 12.256 29.028 1.00 0.00 H new ATOM 0 HA TYR A 35 4.127 11.758 26.232 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.919 13.899 27.163 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.313 13.105 27.869 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.688 13.672 24.525 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.365 13.071 26.613 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.931 14.047 22.455 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.603 13.466 24.529 1.00 0.00 H new ATOM 0 HH TYR A 35 9.486 13.946 22.370 1.00 0.00 H new ATOM 581 N ALA A 36 6.557 10.210 27.901 1.00 0.00 N ATOM 582 CA ALA A 36 7.564 9.129 27.879 1.00 0.00 C ATOM 583 C ALA A 36 6.925 7.778 27.535 1.00 0.00 C ATOM 584 O ALA A 36 7.454 7.032 26.714 1.00 0.00 O ATOM 585 CB ALA A 36 8.294 9.048 29.229 1.00 0.00 C ATOM 0 H ALA A 36 6.470 10.665 28.810 1.00 0.00 H new ATOM 0 HA ALA A 36 8.289 9.364 27.100 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.032 8.247 29.196 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.795 9.995 29.429 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.573 8.845 30.021 1.00 0.00 H new ATOM 591 N GLU A 37 5.790 7.467 28.177 1.00 0.00 N ATOM 592 CA GLU A 37 4.989 6.274 27.945 1.00 0.00 C ATOM 593 C GLU A 37 4.481 6.236 26.514 1.00 0.00 C ATOM 594 O GLU A 37 4.731 5.293 25.833 1.00 0.00 O ATOM 595 CB GLU A 37 3.812 6.215 28.953 1.00 0.00 C ATOM 596 CG GLU A 37 4.243 6.152 30.426 1.00 0.00 C ATOM 597 CD GLU A 37 5.117 4.935 30.743 1.00 0.00 C ATOM 598 OE1 GLU A 37 4.584 3.815 30.862 1.00 0.00 O ATOM 599 OE2 GLU A 37 6.344 5.089 30.866 1.00 0.00 O ATOM 0 H GLU A 37 5.396 8.069 28.900 1.00 0.00 H new ATOM 0 HA GLU A 37 5.618 5.397 28.099 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.181 7.092 28.809 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.200 5.342 28.728 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.790 7.061 30.678 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.355 6.129 31.058 1.00 0.00 H new ATOM 606 N LEU A 38 3.741 7.264 26.113 1.00 0.00 N ATOM 607 CA LEU A 38 3.269 7.418 24.715 1.00 0.00 C ATOM 608 C LEU A 38 4.402 7.267 23.651 1.00 0.00 C ATOM 609 O LEU A 38 4.137 6.798 22.553 1.00 0.00 O ATOM 610 CB LEU A 38 2.538 8.750 24.547 1.00 0.00 C ATOM 611 CG LEU A 38 1.162 8.874 25.247 1.00 0.00 C ATOM 612 CD1 LEU A 38 0.667 10.328 25.175 1.00 0.00 C ATOM 613 CD2 LEU A 38 0.129 7.882 24.649 1.00 0.00 C ATOM 0 H LEU A 38 3.445 8.018 26.733 1.00 0.00 H new ATOM 0 HA LEU A 38 2.577 6.597 24.530 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.184 9.544 24.921 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.397 8.930 23.481 1.00 0.00 H new ATOM 0 HG LEU A 38 1.280 8.605 26.297 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.301 10.408 25.669 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.383 10.981 25.673 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.567 10.627 24.132 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.825 7.996 25.164 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.004 8.091 23.588 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.490 6.861 24.775 1.00 0.00 H new ATOM 625 N GLU A 39 5.632 7.727 23.972 1.00 0.00 N ATOM 626 CA GLU A 39 6.849 7.444 23.158 1.00 0.00 C ATOM 627 C GLU A 39 7.160 5.921 23.085 1.00 0.00 C ATOM 628 O GLU A 39 7.611 5.431 22.059 1.00 0.00 O ATOM 629 CB GLU A 39 8.078 8.208 23.735 1.00 0.00 C ATOM 630 CG GLU A 39 8.119 9.720 23.430 1.00 0.00 C ATOM 631 CD GLU A 39 8.178 10.036 21.927 1.00 0.00 C ATOM 632 OE1 GLU A 39 9.154 9.631 21.273 1.00 0.00 O ATOM 633 OE2 GLU A 39 7.262 10.691 21.394 1.00 0.00 O ATOM 0 H GLU A 39 5.815 8.301 24.795 1.00 0.00 H new ATOM 0 HA GLU A 39 6.648 7.792 22.145 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.094 8.072 24.816 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.986 7.750 23.342 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.237 10.194 23.859 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.988 10.159 23.921 1.00 0.00 H new ATOM 640 N LYS A 40 7.001 5.247 24.228 1.00 0.00 N ATOM 641 CA LYS A 40 7.146 3.758 24.331 1.00 0.00 C ATOM 642 C LYS A 40 6.052 3.043 23.488 1.00 0.00 C ATOM 643 O LYS A 40 6.349 2.165 22.680 1.00 0.00 O ATOM 644 CB LYS A 40 7.081 3.277 25.801 1.00 0.00 C ATOM 645 CG LYS A 40 8.136 3.909 26.722 1.00 0.00 C ATOM 646 CD LYS A 40 8.032 3.396 28.176 1.00 0.00 C ATOM 647 CE LYS A 40 8.978 4.132 29.135 1.00 0.00 C ATOM 648 NZ LYS A 40 8.683 5.583 29.201 1.00 0.00 N ATOM 0 H LYS A 40 6.769 5.698 25.113 1.00 0.00 H new ATOM 0 HA LYS A 40 8.128 3.499 23.936 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.090 3.497 26.199 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.200 2.194 25.822 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.131 3.692 26.333 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.020 4.993 26.713 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.006 3.512 28.525 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.257 2.330 28.197 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.893 3.699 30.132 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.008 3.986 28.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.333 6.039 29.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.806 6.005 28.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.703 5.724 29.519 1.00 0.00 H new ATOM 662 N GLU A 41 4.791 3.433 23.758 1.00 0.00 N ATOM 663 CA GLU A 41 3.585 2.977 23.021 1.00 0.00 C ATOM 664 C GLU A 41 3.750 3.173 21.502 1.00 0.00 C ATOM 665 O GLU A 41 3.353 2.324 20.707 1.00 0.00 O ATOM 666 CB GLU A 41 2.344 3.780 23.504 1.00 0.00 C ATOM 667 CG GLU A 41 2.082 3.724 25.021 1.00 0.00 C ATOM 668 CD GLU A 41 1.805 2.312 25.544 1.00 0.00 C ATOM 669 OE1 GLU A 41 0.642 1.863 25.454 1.00 0.00 O ATOM 670 OE2 GLU A 41 2.742 1.640 26.040 1.00 0.00 O ATOM 0 H GLU A 41 4.572 4.087 24.509 1.00 0.00 H new ATOM 0 HA GLU A 41 3.450 1.914 23.221 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.468 4.822 23.210 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.462 3.405 22.984 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.945 4.134 25.546 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.232 4.363 25.258 1.00 0.00 H new ATOM 677 N LYS A 42 4.323 4.330 21.162 1.00 0.00 N ATOM 678 CA LYS A 42 4.638 4.701 19.776 1.00 0.00 C ATOM 679 C LYS A 42 5.719 3.758 19.237 1.00 0.00 C ATOM 680 O LYS A 42 5.521 3.132 18.237 1.00 0.00 O ATOM 681 CB LYS A 42 5.128 6.158 19.663 1.00 0.00 C ATOM 682 CG LYS A 42 5.418 6.617 18.217 1.00 0.00 C ATOM 683 CD LYS A 42 6.093 8.000 18.164 1.00 0.00 C ATOM 684 CE LYS A 42 5.198 9.097 18.737 1.00 0.00 C ATOM 685 NZ LYS A 42 5.919 10.377 18.918 1.00 0.00 N ATOM 0 H LYS A 42 4.584 5.042 21.844 1.00 0.00 H new ATOM 0 HA LYS A 42 3.723 4.614 19.190 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.377 6.817 20.098 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.035 6.272 20.257 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.059 5.884 17.728 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.485 6.650 17.655 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.029 7.968 18.722 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.345 8.241 17.131 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.348 9.253 18.072 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.797 8.770 19.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.245 11.167 18.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.382 10.386 19.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.638 10.479 18.173 1.00 0.00 H new ATOM 699 N ALA A 43 6.856 3.695 19.948 1.00 0.00 N ATOM 700 CA ALA A 43 8.034 2.854 19.596 1.00 0.00 C ATOM 701 C ALA A 43 7.660 1.379 19.328 1.00 0.00 C ATOM 702 O ALA A 43 8.214 0.746 18.424 1.00 0.00 O ATOM 703 CB ALA A 43 9.098 2.945 20.698 1.00 0.00 C ATOM 0 H ALA A 43 6.995 4.234 20.803 1.00 0.00 H new ATOM 0 HA ALA A 43 8.439 3.249 18.664 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.954 2.326 20.429 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.419 3.981 20.809 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.677 2.593 21.640 1.00 0.00 H new ATOM 709 N THR A 44 6.702 0.859 20.101 1.00 0.00 N ATOM 710 CA THR A 44 6.135 -0.487 19.986 1.00 0.00 C ATOM 711 C THR A 44 5.181 -0.564 18.785 1.00 0.00 C ATOM 712 O THR A 44 5.211 -1.535 18.034 1.00 0.00 O ATOM 713 CB THR A 44 5.401 -0.864 21.320 1.00 0.00 C ATOM 714 OG1 THR A 44 6.307 -0.727 22.427 1.00 0.00 O ATOM 715 CG2 THR A 44 4.848 -2.293 21.316 1.00 0.00 C ATOM 0 H THR A 44 6.280 1.392 20.861 1.00 0.00 H new ATOM 0 HA THR A 44 6.938 -1.205 19.818 1.00 0.00 H new ATOM 0 HB THR A 44 4.557 -0.181 21.415 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.427 0.223 22.636 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.352 -2.494 22.266 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.132 -2.404 20.502 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.666 -2.999 21.178 1.00 0.00 H new ATOM 723 N LEU A 45 4.297 0.457 18.681 1.00 0.00 N ATOM 724 CA LEU A 45 3.431 0.609 17.485 1.00 0.00 C ATOM 725 C LEU A 45 4.271 0.542 16.200 1.00 0.00 C ATOM 726 O LEU A 45 3.955 -0.224 15.319 1.00 0.00 O ATOM 727 CB LEU A 45 2.567 1.913 17.488 1.00 0.00 C ATOM 728 CG LEU A 45 1.176 1.834 18.200 1.00 0.00 C ATOM 729 CD1 LEU A 45 0.470 3.209 18.208 1.00 0.00 C ATOM 730 CD2 LEU A 45 0.285 0.749 17.543 1.00 0.00 C ATOM 0 H LEU A 45 4.165 1.174 19.394 1.00 0.00 H new ATOM 0 HA LEU A 45 2.730 -0.225 17.520 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.147 2.704 17.962 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.403 2.215 16.453 1.00 0.00 H new ATOM 0 HG LEU A 45 1.345 1.549 19.238 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.494 3.120 18.710 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.089 3.933 18.737 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.316 3.545 17.183 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.677 0.711 18.053 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.129 0.993 16.492 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.776 -0.221 17.621 1.00 0.00 H new ATOM 742 N GLU A 46 5.356 1.324 16.135 1.00 0.00 N ATOM 743 CA GLU A 46 6.272 1.385 14.996 1.00 0.00 C ATOM 744 C GLU A 46 6.906 0.017 14.744 1.00 0.00 C ATOM 745 O GLU A 46 6.677 -0.557 13.678 1.00 0.00 O ATOM 746 CB GLU A 46 7.352 2.471 15.232 1.00 0.00 C ATOM 747 CG GLU A 46 6.775 3.884 15.448 1.00 0.00 C ATOM 748 CD GLU A 46 7.849 4.932 15.762 1.00 0.00 C ATOM 749 OE1 GLU A 46 8.206 5.103 16.948 1.00 0.00 O ATOM 750 OE2 GLU A 46 8.356 5.581 14.822 1.00 0.00 O ATOM 0 H GLU A 46 5.626 1.948 16.896 1.00 0.00 H new ATOM 0 HA GLU A 46 5.707 1.659 14.105 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.948 2.195 16.102 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.027 2.491 14.377 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.230 4.188 14.554 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.055 3.855 16.266 1.00 0.00 H new ATOM 757 N ALA A 47 7.765 -0.457 15.686 1.00 0.00 N ATOM 758 CA ALA A 47 8.320 -1.832 15.749 1.00 0.00 C ATOM 759 C ALA A 47 7.387 -2.900 15.160 1.00 0.00 C ATOM 760 O ALA A 47 7.784 -3.614 14.252 1.00 0.00 O ATOM 761 CB ALA A 47 8.678 -2.190 17.202 1.00 0.00 C ATOM 0 H ALA A 47 8.101 0.131 16.449 1.00 0.00 H new ATOM 0 HA ALA A 47 9.216 -1.830 15.129 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.084 -3.201 17.238 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.421 -1.486 17.578 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.782 -2.137 17.821 1.00 0.00 H new ATOM 767 N GLU A 48 6.131 -2.933 15.626 1.00 0.00 N ATOM 768 CA GLU A 48 5.057 -3.827 15.183 1.00 0.00 C ATOM 769 C GLU A 48 4.706 -3.577 13.701 1.00 0.00 C ATOM 770 O GLU A 48 5.017 -4.387 12.856 1.00 0.00 O ATOM 771 CB GLU A 48 3.814 -3.570 16.093 1.00 0.00 C ATOM 772 CG GLU A 48 2.553 -4.387 15.762 1.00 0.00 C ATOM 773 CD GLU A 48 2.609 -5.828 16.302 1.00 0.00 C ATOM 774 OE1 GLU A 48 2.409 -6.015 17.522 1.00 0.00 O ATOM 775 OE2 GLU A 48 2.844 -6.773 15.523 1.00 0.00 O ATOM 0 H GLU A 48 5.822 -2.300 16.364 1.00 0.00 H new ATOM 0 HA GLU A 48 5.379 -4.865 15.267 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.096 -3.777 17.125 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.561 -2.511 16.038 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.681 -3.883 16.178 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.419 -4.415 14.681 1.00 0.00 H new ATOM 782 N ILE A 49 4.072 -2.416 13.478 1.00 0.00 N ATOM 783 CA ILE A 49 3.482 -2.073 12.156 1.00 0.00 C ATOM 784 C ILE A 49 4.507 -2.252 11.001 1.00 0.00 C ATOM 785 O ILE A 49 4.178 -2.853 9.980 1.00 0.00 O ATOM 786 CB ILE A 49 2.801 -0.642 12.112 1.00 0.00 C ATOM 787 CG1 ILE A 49 3.839 0.513 12.305 1.00 0.00 C ATOM 788 CG2 ILE A 49 1.649 -0.552 13.152 1.00 0.00 C ATOM 789 CD1 ILE A 49 3.250 1.914 12.412 1.00 0.00 C ATOM 0 H ILE A 49 3.950 -1.694 14.188 1.00 0.00 H new ATOM 0 HA ILE A 49 2.675 -2.790 12.004 1.00 0.00 H new ATOM 0 HB ILE A 49 2.374 -0.513 11.117 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.417 0.311 13.207 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.537 0.494 11.468 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.194 0.438 13.106 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.896 -1.308 12.928 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.048 -0.722 14.152 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.054 2.638 12.544 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.698 2.147 11.502 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.576 1.961 13.267 1.00 0.00 H new ATOM 801 N ALA A 50 5.749 -1.753 11.178 1.00 0.00 N ATOM 802 CA ALA A 50 6.861 -1.908 10.223 1.00 0.00 C ATOM 803 C ALA A 50 7.388 -3.360 10.113 1.00 0.00 C ATOM 804 O ALA A 50 7.796 -3.767 9.032 1.00 0.00 O ATOM 805 CB ALA A 50 7.992 -0.946 10.616 1.00 0.00 C ATOM 0 H ALA A 50 6.010 -1.220 12.008 1.00 0.00 H new ATOM 0 HA ALA A 50 6.478 -1.663 9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.820 -1.053 9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.623 0.079 10.589 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.336 -1.181 11.623 1.00 0.00 H new ATOM 811 N ARG A 51 7.480 -4.090 11.248 1.00 0.00 N ATOM 812 CA ARG A 51 7.792 -5.552 11.271 1.00 0.00 C ATOM 813 C ARG A 51 6.801 -6.312 10.360 1.00 0.00 C ATOM 814 O ARG A 51 7.202 -7.065 9.481 1.00 0.00 O ATOM 815 CB ARG A 51 7.749 -6.141 12.705 1.00 0.00 C ATOM 816 CG ARG A 51 8.318 -7.571 12.846 1.00 0.00 C ATOM 817 CD ARG A 51 9.830 -7.626 12.596 1.00 0.00 C ATOM 818 NE ARG A 51 10.364 -8.990 12.748 1.00 0.00 N ATOM 819 CZ ARG A 51 11.640 -9.350 12.529 1.00 0.00 C ATOM 820 NH1 ARG A 51 12.557 -8.461 12.166 1.00 0.00 N ATOM 821 NH2 ARG A 51 11.991 -10.615 12.665 1.00 0.00 N ATOM 0 H ARG A 51 7.342 -3.690 12.176 1.00 0.00 H new ATOM 0 HA ARG A 51 8.809 -5.675 10.900 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.304 -5.479 13.369 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.715 -6.143 13.049 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.104 -7.947 13.846 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.812 -8.232 12.142 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.045 -7.262 11.591 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.337 -6.958 13.292 1.00 0.00 H new ATOM 0 HE ARG A 51 9.714 -9.719 13.043 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.299 -7.481 12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.520 -8.758 12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.296 -11.311 12.934 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.957 -10.897 12.501 1.00 0.00 H new ATOM 835 N LEU A 52 5.511 -6.072 10.612 1.00 0.00 N ATOM 836 CA LEU A 52 4.386 -6.607 9.825 1.00 0.00 C ATOM 837 C LEU A 52 4.507 -6.189 8.351 1.00 0.00 C ATOM 838 O LEU A 52 4.177 -6.963 7.447 1.00 0.00 O ATOM 839 CB LEU A 52 3.031 -6.124 10.409 1.00 0.00 C ATOM 840 CG LEU A 52 2.780 -6.455 11.915 1.00 0.00 C ATOM 841 CD1 LEU A 52 1.369 -6.005 12.365 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.037 -7.954 12.218 1.00 0.00 C ATOM 0 H LEU A 52 5.208 -5.485 11.389 1.00 0.00 H new ATOM 0 HA LEU A 52 4.421 -7.695 9.881 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.966 -5.044 10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.226 -6.565 9.821 1.00 0.00 H new ATOM 0 HG LEU A 52 3.499 -5.885 12.502 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.227 -6.250 13.418 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.269 -4.928 12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.616 -6.519 11.768 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.853 -8.148 13.275 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.368 -8.567 11.614 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.071 -8.202 11.978 1.00 0.00 H new ATOM 854 N ARG A 53 5.014 -4.968 8.119 1.00 0.00 N ATOM 855 CA ARG A 53 5.243 -4.422 6.780 1.00 0.00 C ATOM 856 C ARG A 53 6.497 -5.027 6.119 1.00 0.00 C ATOM 857 O ARG A 53 6.522 -5.130 4.916 1.00 0.00 O ATOM 858 CB ARG A 53 5.348 -2.876 6.817 1.00 0.00 C ATOM 859 CG ARG A 53 3.994 -2.122 6.889 1.00 0.00 C ATOM 860 CD ARG A 53 4.198 -0.616 7.129 1.00 0.00 C ATOM 861 NE ARG A 53 5.207 -0.043 6.211 1.00 0.00 N ATOM 862 CZ ARG A 53 6.283 0.683 6.572 1.00 0.00 C ATOM 863 NH1 ARG A 53 6.489 1.026 7.836 1.00 0.00 N ATOM 864 NH2 ARG A 53 7.140 1.079 5.647 1.00 0.00 N ATOM 0 H ARG A 53 5.278 -4.328 8.868 1.00 0.00 H new ATOM 0 HA ARG A 53 4.380 -4.698 6.174 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.951 -2.590 7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.884 -2.543 5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.443 -2.272 5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.386 -2.540 7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.250 -0.095 6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.510 -0.452 8.160 1.00 0.00 H new ATOM 0 HE ARG A 53 5.076 -0.213 5.214 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.826 0.740 8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.310 1.576 8.088 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.984 0.835 4.669 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.957 1.629 5.911 1.00 0.00 H new ATOM 878 N GLU A 54 7.532 -5.426 6.891 1.00 0.00 N ATOM 879 CA GLU A 54 8.752 -6.049 6.302 1.00 0.00 C ATOM 880 C GLU A 54 8.478 -7.534 6.006 1.00 0.00 C ATOM 881 O GLU A 54 9.136 -8.143 5.173 1.00 0.00 O ATOM 882 CB GLU A 54 10.018 -5.867 7.190 1.00 0.00 C ATOM 883 CG GLU A 54 10.103 -6.776 8.424 1.00 0.00 C ATOM 884 CD GLU A 54 11.431 -6.643 9.182 1.00 0.00 C ATOM 885 OE1 GLU A 54 12.427 -7.275 8.772 1.00 0.00 O ATOM 886 OE2 GLU A 54 11.492 -5.906 10.184 1.00 0.00 O ATOM 0 H GLU A 54 7.554 -5.333 7.906 1.00 0.00 H new ATOM 0 HA GLU A 54 8.973 -5.530 5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.900 -6.040 6.573 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.060 -4.830 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.281 -6.539 9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.971 -7.813 8.114 1.00 0.00 H new ATOM 893 N VAL A 55 7.467 -8.075 6.704 1.00 0.00 N ATOM 894 CA VAL A 55 6.878 -9.375 6.339 1.00 0.00 C ATOM 895 C VAL A 55 6.215 -9.190 4.964 1.00 0.00 C ATOM 896 O VAL A 55 6.499 -9.928 4.020 1.00 0.00 O ATOM 897 CB VAL A 55 5.829 -9.934 7.374 1.00 0.00 C ATOM 898 CG1 VAL A 55 5.299 -11.325 6.938 1.00 0.00 C ATOM 899 CG2 VAL A 55 6.424 -10.003 8.795 1.00 0.00 C ATOM 0 H VAL A 55 7.042 -7.636 7.520 1.00 0.00 H new ATOM 0 HA VAL A 55 7.676 -10.117 6.327 1.00 0.00 H new ATOM 0 HB VAL A 55 4.989 -9.240 7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.577 -11.685 7.671 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.816 -11.242 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.130 -12.027 6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.675 -10.393 9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.293 -10.661 8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.725 -9.005 9.112 1.00 0.00 H new ATOM 909 N HIS A 56 5.374 -8.132 4.876 1.00 0.00 N ATOM 910 CA HIS A 56 4.727 -7.748 3.600 1.00 0.00 C ATOM 911 C HIS A 56 5.621 -6.849 2.695 1.00 0.00 C ATOM 912 O HIS A 56 5.096 -6.060 1.911 1.00 0.00 O ATOM 913 CB HIS A 56 3.367 -7.048 3.905 1.00 0.00 C ATOM 914 CG HIS A 56 2.338 -7.936 4.567 1.00 0.00 C ATOM 915 ND1 HIS A 56 1.046 -8.072 4.108 1.00 0.00 N ATOM 916 CD2 HIS A 56 2.413 -8.717 5.670 1.00 0.00 C ATOM 917 CE1 HIS A 56 0.381 -8.883 4.902 1.00 0.00 C ATOM 918 NE2 HIS A 56 1.186 -9.289 5.863 1.00 0.00 N ATOM 0 H HIS A 56 5.130 -7.535 5.666 1.00 0.00 H new ATOM 0 HA HIS A 56 4.561 -8.663 3.032 1.00 0.00 H new ATOM 0 HB2 HIS A 56 3.552 -6.187 4.547 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.952 -6.666 2.972 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.287 -8.863 6.288 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.654 -9.169 4.785 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.936 -9.923 6.622 1.00 0.00 H new ATOM 927 N SER A 57 6.966 -6.969 2.804 1.00 0.00 N ATOM 928 CA SER A 57 7.927 -6.309 1.870 1.00 0.00 C ATOM 929 C SER A 57 8.902 -7.353 1.307 1.00 0.00 C ATOM 930 O SER A 57 9.155 -7.383 0.096 1.00 0.00 O ATOM 931 CB SER A 57 8.707 -5.151 2.547 1.00 0.00 C ATOM 932 OG SER A 57 7.860 -4.055 2.849 1.00 0.00 O ATOM 0 H SER A 57 7.418 -7.520 3.533 1.00 0.00 H new ATOM 0 HA SER A 57 7.349 -5.870 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.174 -5.513 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.510 -4.820 1.889 1.00 0.00 H new ATOM 0 HG SER A 57 7.473 -4.177 3.741 1.00 0.00 H new ATOM 938 N GLN A 58 9.462 -8.198 2.202 1.00 0.00 N ATOM 939 CA GLN A 58 10.228 -9.401 1.802 1.00 0.00 C ATOM 940 C GLN A 58 9.298 -10.335 1.009 1.00 0.00 C ATOM 941 O GLN A 58 9.671 -10.903 -0.022 1.00 0.00 O ATOM 942 CB GLN A 58 10.786 -10.138 3.052 1.00 0.00 C ATOM 943 CG GLN A 58 11.713 -9.291 3.951 1.00 0.00 C ATOM 944 CD GLN A 58 12.069 -9.979 5.275 1.00 0.00 C ATOM 945 OE1 GLN A 58 12.203 -11.204 5.345 1.00 0.00 O ATOM 946 NE2 GLN A 58 12.178 -9.201 6.351 1.00 0.00 N ATOM 0 H GLN A 58 9.397 -8.068 3.212 1.00 0.00 H new ATOM 0 HA GLN A 58 11.074 -9.103 1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.947 -10.491 3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.334 -11.020 2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.631 -9.068 3.407 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.229 -8.338 4.164 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.063 -8.191 6.264 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.377 -9.615 7.262 1.00 0.00 H new ATOM 955 N LYS A 59 8.073 -10.472 1.540 1.00 0.00 N ATOM 956 CA LYS A 59 6.950 -11.129 0.880 1.00 0.00 C ATOM 957 C LYS A 59 5.873 -10.052 0.667 1.00 0.00 C ATOM 958 O LYS A 59 4.949 -9.950 1.473 1.00 0.00 O ATOM 959 CB LYS A 59 6.372 -12.315 1.735 1.00 0.00 C ATOM 960 CG LYS A 59 7.349 -13.470 2.068 1.00 0.00 C ATOM 961 CD LYS A 59 8.349 -13.130 3.205 1.00 0.00 C ATOM 962 CE LYS A 59 9.309 -14.287 3.523 1.00 0.00 C ATOM 963 NZ LYS A 59 10.147 -14.654 2.357 1.00 0.00 N ATOM 0 H LYS A 59 7.837 -10.117 2.466 1.00 0.00 H new ATOM 0 HA LYS A 59 7.278 -11.565 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.995 -11.907 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.518 -12.734 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.773 -14.351 2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.908 -13.732 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.928 -12.251 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.793 -12.868 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.952 -14.005 4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.735 -15.156 3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.870 -15.342 2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.548 -15.076 1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.612 -13.803 1.982 1.00 0.00 H new ATOM 977 N LEU A 60 6.038 -9.210 -0.384 1.00 0.00 N ATOM 978 CA LEU A 60 5.080 -8.110 -0.736 1.00 0.00 C ATOM 979 C LEU A 60 3.611 -8.601 -0.864 1.00 0.00 C ATOM 980 O LEU A 60 3.311 -9.797 -0.736 1.00 0.00 O ATOM 981 CB LEU A 60 5.523 -7.355 -2.054 1.00 0.00 C ATOM 982 CG LEU A 60 6.171 -5.934 -1.870 1.00 0.00 C ATOM 983 CD1 LEU A 60 6.583 -5.310 -3.225 1.00 0.00 C ATOM 984 CD2 LEU A 60 5.225 -4.980 -1.106 1.00 0.00 C ATOM 0 H LEU A 60 6.836 -9.267 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 60 5.113 -7.409 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.234 -7.987 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.649 -7.250 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 60 7.074 -6.073 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.026 -4.329 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.310 -5.956 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.703 -5.205 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.702 -4.006 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.295 -4.867 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.010 -5.393 -0.120 1.00 0.00 H new ATOM 996 N SER A 61 2.697 -7.652 -1.121 1.00 0.00 N ATOM 997 CA SER A 61 1.282 -7.960 -1.352 1.00 0.00 C ATOM 998 C SER A 61 1.136 -8.850 -2.613 1.00 0.00 C ATOM 999 O SER A 61 1.991 -8.791 -3.514 1.00 0.00 O ATOM 1000 CB SER A 61 0.457 -6.659 -1.483 1.00 0.00 C ATOM 1001 OG SER A 61 -0.934 -6.925 -1.403 1.00 0.00 O ATOM 0 H SER A 61 2.918 -6.658 -1.174 1.00 0.00 H new ATOM 0 HA SER A 61 0.892 -8.512 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.743 -5.963 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.684 -6.175 -2.433 1.00 0.00 H new ATOM 0 HG SER A 61 -1.433 -6.086 -1.487 1.00 0.00 H new ATOM 1007 N LYS A 62 0.035 -9.629 -2.644 1.00 0.00 N ATOM 1008 CA LYS A 62 -0.201 -10.755 -3.579 1.00 0.00 C ATOM 1009 C LYS A 62 0.334 -10.534 -5.029 1.00 0.00 C ATOM 1010 O LYS A 62 1.358 -11.153 -5.394 1.00 0.00 O ATOM 1011 CB LYS A 62 -1.716 -11.165 -3.545 1.00 0.00 C ATOM 1012 CG LYS A 62 -2.712 -9.979 -3.505 1.00 0.00 C ATOM 1013 CD LYS A 62 -4.186 -10.414 -3.294 1.00 0.00 C ATOM 1014 CE LYS A 62 -4.414 -11.113 -1.943 1.00 0.00 C ATOM 1015 NZ LYS A 62 -5.841 -11.458 -1.722 1.00 0.00 N ATOM 0 H LYS A 62 -0.742 -9.489 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 62 0.402 -11.588 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.933 -11.773 -4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.888 -11.794 -2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.424 -9.300 -2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.637 -9.420 -4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.831 -9.538 -3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.481 -11.086 -4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.812 -12.021 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.070 -10.464 -1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.946 -11.927 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.414 -10.590 -1.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.164 -12.099 -2.475 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.370 -9.725 -5.862 1.00 0.00 N ATOM 1030 CA GLU A 63 -0.012 -9.373 -7.259 1.00 0.00 C ATOM 1031 C GLU A 63 1.484 -9.144 -7.463 1.00 0.00 C ATOM 1032 O GLU A 63 2.080 -9.814 -8.286 1.00 0.00 O ATOM 1033 CB GLU A 63 -0.776 -8.089 -7.713 1.00 0.00 C ATOM 1034 CG GLU A 63 -2.237 -8.300 -8.129 1.00 0.00 C ATOM 1035 CD GLU A 63 -3.148 -8.781 -6.986 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -3.607 -7.943 -6.190 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -3.391 -10.001 -6.867 1.00 0.00 O ATOM 0 H GLU A 63 -1.239 -9.282 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.303 -10.232 -7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.750 -7.365 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.239 -7.645 -8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.631 -7.364 -8.525 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.272 -9.028 -8.939 1.00 0.00 H new ATOM 1044 N ALA A 64 2.060 -8.200 -6.696 1.00 0.00 N ATOM 1045 CA ALA A 64 3.455 -7.758 -6.865 1.00 0.00 C ATOM 1046 C ALA A 64 4.432 -8.925 -6.636 1.00 0.00 C ATOM 1047 O ALA A 64 5.344 -9.156 -7.439 1.00 0.00 O ATOM 1048 CB ALA A 64 3.767 -6.591 -5.910 1.00 0.00 C ATOM 0 H ALA A 64 1.569 -7.722 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 64 3.582 -7.410 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.801 -6.276 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.101 -5.756 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.620 -6.915 -4.880 1.00 0.00 H new ATOM 1054 N GLN A 65 4.243 -9.568 -5.465 1.00 0.00 N ATOM 1055 CA GLN A 65 4.980 -10.817 -5.119 1.00 0.00 C ATOM 1056 C GLN A 65 5.076 -11.764 -6.358 1.00 0.00 C ATOM 1057 O GLN A 65 6.187 -12.202 -6.753 1.00 0.00 O ATOM 1058 CB GLN A 65 4.278 -11.574 -3.929 1.00 0.00 C ATOM 1059 CG GLN A 65 5.064 -11.611 -2.610 1.00 0.00 C ATOM 1060 CD GLN A 65 6.438 -12.273 -2.726 1.00 0.00 C ATOM 1061 OE1 GLN A 65 6.570 -13.488 -2.581 1.00 0.00 O ATOM 1062 NE2 GLN A 65 7.472 -11.479 -2.967 1.00 0.00 N ATOM 0 H GLN A 65 3.594 -9.252 -4.744 1.00 0.00 H new ATOM 0 HA GLN A 65 5.986 -10.532 -4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.312 -11.104 -3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.079 -12.599 -4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.192 -10.592 -2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.476 -12.145 -1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.329 -10.476 -3.082 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.411 -11.871 -3.037 1.00 0.00 H new ATOM 1071 N LYS A 66 3.925 -12.035 -7.026 1.00 0.00 N ATOM 1072 CA LYS A 66 3.834 -12.822 -8.258 1.00 0.00 C ATOM 1073 C LYS A 66 4.538 -12.149 -9.448 1.00 0.00 C ATOM 1074 O LYS A 66 5.266 -12.833 -10.170 1.00 0.00 O ATOM 1075 CB LYS A 66 2.354 -13.122 -8.588 1.00 0.00 C ATOM 1076 CG LYS A 66 2.152 -13.960 -9.875 1.00 0.00 C ATOM 1077 CD LYS A 66 0.721 -14.509 -10.021 1.00 0.00 C ATOM 1078 CE LYS A 66 0.596 -15.532 -11.158 1.00 0.00 C ATOM 1079 NZ LYS A 66 -0.762 -16.123 -11.214 1.00 0.00 N ATOM 0 H LYS A 66 3.018 -11.698 -6.704 1.00 0.00 H new ATOM 0 HA LYS A 66 4.360 -13.760 -8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.905 -13.652 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.818 -12.179 -8.693 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.389 -13.344 -10.743 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.856 -14.793 -9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.417 -14.974 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.035 -13.682 -10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.823 -15.050 -12.109 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.332 -16.323 -11.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.810 -16.809 -11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.968 -16.605 -10.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.462 -15.370 -11.372 1.00 0.00 H new ATOM 1093 N LEU A 67 4.293 -10.834 -9.685 1.00 0.00 N ATOM 1094 CA LEU A 67 5.014 -10.034 -10.690 1.00 0.00 C ATOM 1095 C LEU A 67 6.527 -10.265 -10.610 1.00 0.00 C ATOM 1096 O LEU A 67 7.188 -10.418 -11.645 1.00 0.00 O ATOM 1097 CB LEU A 67 4.720 -8.499 -10.546 1.00 0.00 C ATOM 1098 CG LEU A 67 3.244 -8.013 -10.766 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.115 -6.474 -10.578 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.712 -8.432 -12.150 1.00 0.00 C ATOM 0 H LEU A 67 3.585 -10.303 -9.178 1.00 0.00 H new ATOM 0 HA LEU A 67 4.649 -10.368 -11.661 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.029 -8.191 -9.547 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.356 -7.968 -11.254 1.00 0.00 H new ATOM 0 HG LEU A 67 2.633 -8.499 -10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.080 -6.173 -10.738 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.419 -6.204 -9.567 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.756 -5.965 -11.298 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.688 -8.079 -12.268 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.338 -7.995 -12.928 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.733 -9.519 -12.234 1.00 0.00 H new ATOM 1112 N MET A 68 7.069 -10.372 -9.374 1.00 0.00 N ATOM 1113 CA MET A 68 8.516 -10.435 -9.197 1.00 0.00 C ATOM 1114 C MET A 68 9.003 -11.860 -9.520 1.00 0.00 C ATOM 1115 O MET A 68 10.132 -12.037 -9.982 1.00 0.00 O ATOM 1116 CB MET A 68 8.895 -10.043 -7.742 1.00 0.00 C ATOM 1117 CG MET A 68 8.522 -8.604 -7.368 1.00 0.00 C ATOM 1118 SD MET A 68 9.250 -8.063 -5.806 1.00 0.00 S ATOM 1119 CE MET A 68 8.922 -6.302 -5.855 1.00 0.00 C ATOM 0 H MET A 68 6.529 -10.415 -8.510 1.00 0.00 H new ATOM 0 HA MET A 68 8.999 -9.730 -9.874 1.00 0.00 H new ATOM 0 HB2 MET A 68 8.401 -10.727 -7.052 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.969 -10.176 -7.609 1.00 0.00 H new ATOM 0 HG2 MET A 68 8.846 -7.933 -8.164 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.437 -8.522 -7.303 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.451 -5.811 -5.038 1.00 0.00 H new ATOM 0 HE2 MET A 68 9.264 -5.894 -6.806 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.851 -6.128 -5.750 1.00 0.00 H new ATOM 1129 N LYS A 69 8.140 -12.890 -9.285 1.00 0.00 N ATOM 1130 CA LYS A 69 8.450 -14.301 -9.665 1.00 0.00 C ATOM 1131 C LYS A 69 7.721 -14.764 -10.971 1.00 0.00 C ATOM 1132 O LYS A 69 7.577 -15.975 -11.194 1.00 0.00 O ATOM 1133 CB LYS A 69 8.079 -15.242 -8.479 1.00 0.00 C ATOM 1134 CG LYS A 69 6.572 -15.261 -8.131 1.00 0.00 C ATOM 1135 CD LYS A 69 6.187 -16.330 -7.086 1.00 0.00 C ATOM 1136 CE LYS A 69 4.669 -16.360 -6.828 1.00 0.00 C ATOM 1137 NZ LYS A 69 4.264 -17.487 -5.957 1.00 0.00 N ATOM 0 H LYS A 69 7.231 -12.771 -8.838 1.00 0.00 H new ATOM 0 HA LYS A 69 9.518 -14.354 -9.877 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.397 -16.256 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.640 -14.934 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.283 -14.279 -7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.000 -15.435 -9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.516 -17.310 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.710 -16.129 -6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.363 -15.421 -6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.143 -16.434 -7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.234 -17.463 -5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.530 -18.386 -6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.743 -17.405 -5.038 1.00 0.00 H new ATOM 1151 N MET A 70 7.298 -13.808 -11.839 1.00 0.00 N ATOM 1152 CA MET A 70 6.613 -14.116 -13.141 1.00 0.00 C ATOM 1153 C MET A 70 7.478 -15.020 -14.075 1.00 0.00 C ATOM 1154 O MET A 70 8.693 -15.116 -13.882 1.00 0.00 O ATOM 1155 CB MET A 70 6.226 -12.789 -13.887 1.00 0.00 C ATOM 1156 CG MET A 70 4.826 -12.245 -13.568 1.00 0.00 C ATOM 1157 SD MET A 70 3.500 -13.335 -14.137 1.00 0.00 S ATOM 1158 CE MET A 70 2.071 -12.247 -14.100 1.00 0.00 C ATOM 0 H MET A 70 7.416 -12.810 -11.667 1.00 0.00 H new ATOM 0 HA MET A 70 5.709 -14.673 -12.896 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.961 -12.024 -13.639 1.00 0.00 H new ATOM 0 HB3 MET A 70 6.296 -12.961 -14.961 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.734 -12.101 -12.491 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.708 -11.266 -14.031 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.353 -12.564 -14.857 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.605 -12.292 -13.116 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.387 -11.224 -14.305 1.00 0.00 H new ATOM 1168 N PRO A 71 6.854 -15.736 -15.072 1.00 0.00 N ATOM 1169 CA PRO A 71 7.601 -16.434 -16.132 1.00 0.00 C ATOM 1170 C PRO A 71 8.006 -15.502 -17.312 1.00 0.00 C ATOM 1171 O PRO A 71 9.173 -15.118 -17.404 1.00 0.00 O ATOM 1172 CB PRO A 71 6.637 -17.571 -16.549 1.00 0.00 C ATOM 1173 CG PRO A 71 5.265 -17.025 -16.300 1.00 0.00 C ATOM 1174 CD PRO A 71 5.394 -15.990 -15.187 1.00 0.00 C ATOM 0 HA PRO A 71 8.566 -16.809 -15.791 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.771 -17.838 -17.597 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.815 -18.474 -15.965 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.860 -16.571 -17.204 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.580 -17.821 -16.009 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.852 -15.077 -15.431 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.982 -16.364 -14.249 1.00 0.00 H new ATOM 1182 N PHE A 72 7.058 -15.158 -18.217 1.00 0.00 N ATOM 1183 CA PHE A 72 7.365 -14.428 -19.469 1.00 0.00 C ATOM 1184 C PHE A 72 7.224 -12.932 -19.144 1.00 0.00 C ATOM 1185 O PHE A 72 6.093 -12.461 -19.001 1.00 0.00 O ATOM 1186 CB PHE A 72 6.362 -14.800 -20.604 1.00 0.00 C ATOM 1187 CG PHE A 72 6.329 -16.273 -21.004 1.00 0.00 C ATOM 1188 CD1 PHE A 72 5.488 -17.171 -20.355 1.00 0.00 C ATOM 1189 CD2 PHE A 72 7.126 -16.753 -22.040 1.00 0.00 C ATOM 1190 CE1 PHE A 72 5.441 -18.499 -20.731 1.00 0.00 C ATOM 1191 CE2 PHE A 72 7.084 -18.082 -22.415 1.00 0.00 C ATOM 1192 CZ PHE A 72 6.240 -18.957 -21.761 1.00 0.00 C ATOM 0 H PHE A 72 6.069 -15.377 -18.101 1.00 0.00 H new ATOM 0 HA PHE A 72 8.365 -14.685 -19.818 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.361 -14.506 -20.289 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.605 -14.209 -21.487 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.863 -16.825 -19.545 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.788 -16.075 -22.559 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.778 -19.181 -20.219 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.711 -18.436 -23.220 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.204 -19.996 -22.053 1.00 0.00 H new ATOM 1202 N GLN A 73 8.324 -12.155 -19.026 1.00 0.00 N ATOM 1203 CA GLN A 73 8.235 -10.788 -18.474 1.00 0.00 C ATOM 1204 C GLN A 73 9.426 -9.950 -18.991 1.00 0.00 C ATOM 1205 O GLN A 73 10.439 -10.499 -19.430 1.00 0.00 O ATOM 1206 CB GLN A 73 8.171 -10.765 -16.906 1.00 0.00 C ATOM 1207 CG GLN A 73 9.507 -10.940 -16.154 1.00 0.00 C ATOM 1208 CD GLN A 73 10.105 -12.339 -16.275 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.859 -12.647 -17.199 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.782 -13.186 -15.332 1.00 0.00 N ATOM 0 H GLN A 73 9.263 -12.444 -19.299 1.00 0.00 H new ATOM 0 HA GLN A 73 7.298 -10.351 -18.819 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.729 -9.818 -16.598 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.492 -11.554 -16.582 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.225 -10.214 -16.535 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.352 -10.712 -15.100 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.155 -12.898 -14.581 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.157 -14.134 -15.348 1.00 0.00 H new ATOM 1219 N ARG A 74 9.271 -8.631 -18.869 1.00 0.00 N ATOM 1220 CA ARG A 74 10.263 -7.643 -19.379 1.00 0.00 C ATOM 1221 C ARG A 74 9.738 -6.244 -19.206 1.00 0.00 C ATOM 1222 O ARG A 74 8.560 -6.056 -18.975 1.00 0.00 O ATOM 1223 CB ARG A 74 10.577 -7.846 -20.902 1.00 0.00 C ATOM 1224 CG ARG A 74 9.368 -7.559 -21.814 1.00 0.00 C ATOM 1225 CD ARG A 74 9.699 -7.445 -23.300 1.00 0.00 C ATOM 1226 NE ARG A 74 8.550 -6.894 -24.033 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.269 -7.112 -25.314 1.00 0.00 C ATOM 1228 NH1 ARG A 74 9.028 -7.901 -26.063 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.195 -6.565 -25.837 1.00 0.00 N ATOM 0 H ARG A 74 8.462 -8.204 -18.418 1.00 0.00 H new ATOM 0 HA ARG A 74 11.176 -7.797 -18.803 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.402 -7.193 -21.187 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.911 -8.871 -21.064 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.633 -8.353 -21.680 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.898 -6.631 -21.489 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.570 -6.804 -23.438 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.958 -8.426 -23.699 1.00 0.00 H new ATOM 0 HE ARG A 74 7.912 -6.291 -23.513 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.847 -8.355 -25.658 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.793 -8.054 -27.044 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.588 -5.981 -25.261 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.968 -6.724 -26.819 1.00 0.00 H new ATOM 1243 N ALA A 75 10.576 -5.243 -19.483 1.00 0.00 N ATOM 1244 CA ALA A 75 10.172 -3.856 -19.372 1.00 0.00 C ATOM 1245 C ALA A 75 9.422 -3.431 -20.654 1.00 0.00 C ATOM 1246 O ALA A 75 9.123 -4.252 -21.536 1.00 0.00 O ATOM 1247 CB ALA A 75 11.406 -2.977 -19.111 1.00 0.00 C ATOM 0 H ALA A 75 11.541 -5.377 -19.786 1.00 0.00 H new ATOM 0 HA ALA A 75 9.491 -3.730 -18.530 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.099 -1.934 -19.028 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.885 -3.289 -18.183 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.110 -3.083 -19.937 1.00 0.00 H new ATOM 1253 N ILE A 76 9.149 -2.137 -20.722 1.00 0.00 N ATOM 1254 CA ILE A 76 8.364 -1.602 -21.847 1.00 0.00 C ATOM 1255 C ILE A 76 9.173 -0.457 -22.453 1.00 0.00 C ATOM 1256 O ILE A 76 9.176 0.672 -21.946 1.00 0.00 O ATOM 1257 CB ILE A 76 6.909 -1.135 -21.488 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.091 -2.235 -20.716 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.165 -0.707 -22.774 1.00 0.00 C ATOM 1260 CD1 ILE A 76 5.844 -3.541 -21.473 1.00 0.00 C ATOM 0 H ILE A 76 9.446 -1.445 -20.035 1.00 0.00 H new ATOM 0 HA ILE A 76 8.203 -2.415 -22.555 1.00 0.00 H new ATOM 0 HB ILE A 76 6.997 -0.283 -20.814 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.617 -2.469 -19.791 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.126 -1.812 -20.436 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.156 -0.384 -22.520 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.701 0.115 -23.248 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.113 -1.551 -23.462 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.272 -4.223 -20.844 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.285 -3.333 -22.385 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.799 -3.999 -21.730 1.00 0.00 H new ATOM 1272 N THR A 77 9.890 -0.799 -23.523 1.00 0.00 N ATOM 1273 CA THR A 77 10.759 0.128 -24.247 1.00 0.00 C ATOM 1274 C THR A 77 9.924 1.130 -25.041 1.00 0.00 C ATOM 1275 O THR A 77 8.744 0.893 -25.283 1.00 0.00 O ATOM 1276 CB THR A 77 11.699 -0.661 -25.214 1.00 0.00 C ATOM 1277 OG1 THR A 77 10.910 -1.470 -26.104 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.687 -1.549 -24.446 1.00 0.00 C ATOM 0 H THR A 77 9.883 -1.740 -23.916 1.00 0.00 H new ATOM 0 HA THR A 77 11.366 0.671 -23.523 1.00 0.00 H new ATOM 0 HB THR A 77 12.277 0.065 -25.786 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.488 -2.122 -26.552 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.323 -2.081 -25.153 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.305 -0.929 -23.797 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.135 -2.269 -23.841 1.00 0.00 H new ATOM 1286 N LYS A 78 10.544 2.257 -25.415 1.00 0.00 N ATOM 1287 CA LYS A 78 9.958 3.240 -26.359 1.00 0.00 C ATOM 1288 C LYS A 78 9.563 2.571 -27.701 1.00 0.00 C ATOM 1289 O LYS A 78 8.726 3.083 -28.437 1.00 0.00 O ATOM 1290 CB LYS A 78 10.968 4.374 -26.644 1.00 0.00 C ATOM 1291 CG LYS A 78 11.406 5.188 -25.405 1.00 0.00 C ATOM 1292 CD LYS A 78 12.478 6.256 -25.740 1.00 0.00 C ATOM 1293 CE LYS A 78 13.756 5.635 -26.336 1.00 0.00 C ATOM 1294 NZ LYS A 78 14.745 6.662 -26.738 1.00 0.00 N ATOM 0 H LYS A 78 11.469 2.521 -25.075 1.00 0.00 H new ATOM 0 HA LYS A 78 9.061 3.647 -25.892 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.855 3.942 -27.108 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.529 5.057 -27.371 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.535 5.678 -24.970 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.800 4.508 -24.649 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.063 6.975 -26.446 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.733 6.808 -24.835 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.208 4.966 -25.604 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.493 5.028 -27.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.587 6.197 -27.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.325 7.286 -27.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.018 7.225 -25.907 1.00 0.00 H new ATOM 1308 N LYS A 79 10.248 1.457 -28.005 1.00 0.00 N ATOM 1309 CA LYS A 79 9.972 0.571 -29.142 1.00 0.00 C ATOM 1310 C LYS A 79 8.565 -0.044 -29.005 1.00 0.00 C ATOM 1311 O LYS A 79 7.776 -0.025 -29.953 1.00 0.00 O ATOM 1312 CB LYS A 79 11.032 -0.559 -29.283 1.00 0.00 C ATOM 1313 CG LYS A 79 12.468 -0.109 -29.660 1.00 0.00 C ATOM 1314 CD LYS A 79 13.208 0.655 -28.535 1.00 0.00 C ATOM 1315 CE LYS A 79 14.684 0.924 -28.867 1.00 0.00 C ATOM 1316 NZ LYS A 79 15.444 -0.332 -29.075 1.00 0.00 N ATOM 0 H LYS A 79 11.038 1.139 -27.444 1.00 0.00 H new ATOM 0 HA LYS A 79 10.023 1.180 -30.045 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.080 -1.103 -28.340 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.684 -1.263 -30.039 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.052 -0.988 -29.933 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.417 0.527 -30.544 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.703 1.604 -28.354 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.147 0.080 -27.611 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.747 1.539 -29.765 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.140 1.494 -28.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.464 -0.133 -29.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.190 -1.018 -28.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.212 -0.727 -30.009 1.00 0.00 H new ATOM 1330 N GLU A 80 8.259 -0.612 -27.823 1.00 0.00 N ATOM 1331 CA GLU A 80 6.961 -1.250 -27.539 1.00 0.00 C ATOM 1332 C GLU A 80 5.888 -0.220 -27.117 1.00 0.00 C ATOM 1333 O GLU A 80 4.700 -0.542 -27.080 1.00 0.00 O ATOM 1334 CB GLU A 80 7.148 -2.346 -26.466 1.00 0.00 C ATOM 1335 CG GLU A 80 7.952 -3.560 -26.960 1.00 0.00 C ATOM 1336 CD GLU A 80 7.277 -4.286 -28.143 1.00 0.00 C ATOM 1337 OE1 GLU A 80 6.229 -4.928 -27.945 1.00 0.00 O ATOM 1338 OE2 GLU A 80 7.784 -4.218 -29.281 1.00 0.00 O ATOM 0 H GLU A 80 8.908 -0.641 -27.036 1.00 0.00 H new ATOM 0 HA GLU A 80 6.597 -1.712 -28.457 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.652 -1.914 -25.602 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.168 -2.683 -26.128 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.947 -3.232 -27.261 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.083 -4.262 -26.137 1.00 0.00 H new ATOM 1345 N GLN A 81 6.319 1.007 -26.774 1.00 0.00 N ATOM 1346 CA GLN A 81 5.419 2.168 -26.630 1.00 0.00 C ATOM 1347 C GLN A 81 5.076 2.793 -27.993 1.00 0.00 C ATOM 1348 O GLN A 81 4.040 3.447 -28.130 1.00 0.00 O ATOM 1349 CB GLN A 81 6.078 3.201 -25.672 1.00 0.00 C ATOM 1350 CG GLN A 81 6.097 2.749 -24.191 1.00 0.00 C ATOM 1351 CD GLN A 81 6.993 3.605 -23.292 1.00 0.00 C ATOM 1352 OE1 GLN A 81 6.579 4.642 -22.775 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.209 3.147 -23.055 1.00 0.00 N ATOM 0 H GLN A 81 7.299 1.223 -26.589 1.00 0.00 H new ATOM 0 HA GLN A 81 4.473 1.837 -26.201 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.101 3.387 -26.000 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.542 4.147 -25.748 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.079 2.773 -23.801 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.433 1.713 -24.142 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.524 2.284 -23.498 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.833 3.656 -22.429 1.00 0.00 H new ATOM 1362 N ALA A 82 5.957 2.593 -28.992 1.00 0.00 N ATOM 1363 CA ALA A 82 5.691 2.894 -30.414 1.00 0.00 C ATOM 1364 C ALA A 82 4.478 2.132 -30.938 1.00 0.00 C ATOM 1365 O ALA A 82 3.704 2.667 -31.741 1.00 0.00 O ATOM 1366 CB ALA A 82 6.931 2.643 -31.283 1.00 0.00 C ATOM 0 H ALA A 82 6.889 2.211 -28.832 1.00 0.00 H new ATOM 0 HA ALA A 82 5.455 3.956 -30.478 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.700 2.874 -32.323 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.748 3.279 -30.943 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.227 1.597 -31.201 1.00 0.00 H new ATOM 1372 N ASP A 83 4.297 0.886 -30.471 1.00 0.00 N ATOM 1373 CA ASP A 83 3.079 0.125 -30.761 1.00 0.00 C ATOM 1374 C ASP A 83 2.611 -0.566 -29.478 1.00 0.00 C ATOM 1375 O ASP A 83 2.750 -1.788 -29.301 1.00 0.00 O ATOM 1376 CB ASP A 83 3.257 -0.873 -31.955 1.00 0.00 C ATOM 1377 CG ASP A 83 1.966 -1.060 -32.782 1.00 0.00 C ATOM 1378 OD1 ASP A 83 0.855 -0.993 -32.208 1.00 0.00 O ATOM 1379 OD2 ASP A 83 2.052 -1.240 -34.014 1.00 0.00 O ATOM 0 H ASP A 83 4.977 0.390 -29.895 1.00 0.00 H new ATOM 0 HA ASP A 83 2.304 0.815 -31.093 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.051 -0.512 -32.608 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.578 -1.840 -31.568 1.00 0.00 H new ATOM 1384 N MET A 84 2.076 0.282 -28.578 1.00 0.00 N ATOM 1385 CA MET A 84 1.434 -0.136 -27.321 1.00 0.00 C ATOM 1386 C MET A 84 0.158 -0.935 -27.606 1.00 0.00 C ATOM 1387 O MET A 84 -0.209 -1.867 -26.860 1.00 0.00 O ATOM 1388 CB MET A 84 1.115 1.129 -26.445 1.00 0.00 C ATOM 1389 CG MET A 84 1.828 1.134 -25.101 1.00 0.00 C ATOM 1390 SD MET A 84 1.355 -0.273 -24.092 1.00 0.00 S ATOM 1391 CE MET A 84 2.633 -0.183 -22.864 1.00 0.00 C ATOM 0 H MET A 84 2.079 1.294 -28.708 1.00 0.00 H new ATOM 0 HA MET A 84 2.118 -0.783 -26.771 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.396 2.025 -26.999 1.00 0.00 H new ATOM 0 HB3 MET A 84 0.039 1.182 -26.277 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.906 1.121 -25.261 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.596 2.057 -24.570 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.938 -1.191 -22.582 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.490 0.356 -23.269 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.257 0.341 -21.985 1.00 0.00 H new ATOM 1401 N GLY A 85 -0.477 -0.586 -28.726 1.00 0.00 N ATOM 1402 CA GLY A 85 -1.745 -1.152 -29.096 1.00 0.00 C ATOM 1403 C GLY A 85 -1.602 -2.572 -29.572 1.00 0.00 C ATOM 1404 O GLY A 85 -2.463 -3.395 -29.281 1.00 0.00 O ATOM 0 H GLY A 85 -0.115 0.097 -29.391 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.421 -1.121 -28.241 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.198 -0.548 -29.883 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.511 -2.891 -30.306 1.00 0.00 N ATOM 1409 CA LYS A 86 -0.227 -4.257 -30.755 1.00 0.00 C ATOM 1410 C LYS A 86 0.332 -5.013 -29.549 1.00 0.00 C ATOM 1411 O LYS A 86 -0.095 -6.136 -29.294 1.00 0.00 O ATOM 1412 CB LYS A 86 0.783 -4.206 -31.954 1.00 0.00 C ATOM 1413 CG LYS A 86 1.497 -5.516 -32.395 1.00 0.00 C ATOM 1414 CD LYS A 86 2.740 -5.884 -31.541 1.00 0.00 C ATOM 1415 CE LYS A 86 3.799 -4.770 -31.485 1.00 0.00 C ATOM 1416 NZ LYS A 86 4.915 -5.114 -30.562 1.00 0.00 N ATOM 0 H LYS A 86 0.188 -2.208 -30.598 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.118 -4.771 -31.116 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.247 -3.816 -32.819 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.555 -3.479 -31.703 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.783 -6.338 -32.349 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.803 -5.417 -33.437 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.417 -6.119 -30.527 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.196 -6.787 -31.947 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.195 -4.595 -32.485 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.332 -3.840 -31.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.814 -4.780 -30.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.757 -4.657 -29.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.955 -6.145 -30.435 1.00 0.00 H new ATOM 1430 N LEU A 87 1.338 -4.396 -28.834 1.00 0.00 N ATOM 1431 CA LEU A 87 1.844 -4.887 -27.543 1.00 0.00 C ATOM 1432 C LEU A 87 0.796 -5.480 -26.621 1.00 0.00 C ATOM 1433 O LEU A 87 0.944 -6.631 -26.204 1.00 0.00 O ATOM 1434 CB LEU A 87 2.649 -3.776 -26.813 1.00 0.00 C ATOM 1435 CG LEU A 87 3.173 -4.110 -25.382 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.172 -5.287 -25.379 1.00 0.00 C ATOM 1437 CD2 LEU A 87 3.790 -2.873 -24.724 1.00 0.00 C ATOM 0 H LEU A 87 1.805 -3.548 -29.155 1.00 0.00 H new ATOM 0 HA LEU A 87 2.499 -5.720 -27.796 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.505 -3.513 -27.435 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.019 -2.889 -26.745 1.00 0.00 H new ATOM 0 HG LEU A 87 2.310 -4.424 -24.795 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.506 -5.478 -24.359 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.685 -6.178 -25.775 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.031 -5.036 -26.001 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.148 -3.131 -23.727 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.624 -2.517 -25.328 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.037 -2.088 -24.647 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.280 -4.743 -26.322 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.189 -5.156 -25.246 1.00 0.00 C ATOM 1451 C LYS A 88 -2.246 -6.119 -25.843 1.00 0.00 C ATOM 1452 O LYS A 88 -2.794 -6.973 -25.134 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.836 -3.892 -24.619 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.943 -3.207 -23.558 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.555 -1.897 -23.013 1.00 0.00 C ATOM 1456 CE LYS A 88 -0.884 -1.408 -21.720 1.00 0.00 C ATOM 1457 NZ LYS A 88 -1.187 -2.301 -20.575 1.00 0.00 N ATOM 0 H LYS A 88 -0.539 -3.878 -26.797 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.657 -5.682 -24.453 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.060 -3.177 -25.411 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.785 -4.168 -24.160 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.777 -3.896 -22.730 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.032 -2.992 -23.995 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.472 -1.121 -23.774 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.618 -2.050 -22.828 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.195 -1.357 -21.866 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.223 -0.397 -21.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.879 -1.848 -19.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.211 -2.479 -20.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.683 -3.203 -20.695 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.474 -5.997 -27.176 1.00 0.00 N ATOM 1472 CA LYS A 89 -3.474 -6.797 -27.921 1.00 0.00 C ATOM 1473 C LYS A 89 -3.003 -8.260 -28.070 1.00 0.00 C ATOM 1474 O LYS A 89 -3.765 -9.198 -27.811 1.00 0.00 O ATOM 1475 CB LYS A 89 -3.692 -6.178 -29.330 1.00 0.00 C ATOM 1476 CG LYS A 89 -4.725 -6.905 -30.218 1.00 0.00 C ATOM 1477 CD LYS A 89 -4.787 -6.351 -31.664 1.00 0.00 C ATOM 1478 CE LYS A 89 -3.474 -6.541 -32.443 1.00 0.00 C ATOM 1479 NZ LYS A 89 -3.580 -6.036 -33.837 1.00 0.00 N ATOM 0 H LYS A 89 -1.966 -5.337 -27.765 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.410 -6.787 -27.363 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.007 -5.142 -29.209 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.736 -6.161 -29.853 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.481 -7.967 -30.253 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.711 -6.820 -29.761 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.596 -6.846 -32.201 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.031 -5.289 -31.629 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.667 -6.019 -31.928 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.211 -7.599 -32.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.675 -6.182 -34.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.333 -6.551 -34.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.806 -5.021 -33.822 1.00 0.00 H new ATOM 1493 N SER A 90 -1.750 -8.432 -28.541 1.00 0.00 N ATOM 1494 CA SER A 90 -1.025 -9.731 -28.715 1.00 0.00 C ATOM 1495 C SER A 90 -0.919 -10.588 -27.412 1.00 0.00 C ATOM 1496 O SER A 90 -0.288 -11.649 -27.407 1.00 0.00 O ATOM 1497 CB SER A 90 0.393 -9.397 -29.260 1.00 0.00 C ATOM 1498 OG SER A 90 1.180 -10.557 -29.528 1.00 0.00 O ATOM 0 H SER A 90 -1.179 -7.637 -28.827 1.00 0.00 H new ATOM 0 HA SER A 90 -1.598 -10.348 -29.408 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.295 -8.813 -30.175 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.915 -8.771 -28.536 1.00 0.00 H new ATOM 0 HG SER A 90 0.911 -11.281 -28.925 1.00 0.00 H new ATOM 1504 N VAL A 91 -1.570 -10.138 -26.326 1.00 0.00 N ATOM 1505 CA VAL A 91 -1.572 -10.827 -25.027 1.00 0.00 C ATOM 1506 C VAL A 91 -3.011 -10.877 -24.451 1.00 0.00 C ATOM 1507 O VAL A 91 -3.296 -11.664 -23.545 1.00 0.00 O ATOM 1508 CB VAL A 91 -0.614 -10.088 -23.998 1.00 0.00 C ATOM 1509 CG1 VAL A 91 0.047 -11.067 -23.015 1.00 0.00 C ATOM 1510 CG2 VAL A 91 0.451 -9.235 -24.702 1.00 0.00 C ATOM 0 H VAL A 91 -2.115 -9.276 -26.327 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.208 -11.843 -25.180 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.253 -9.417 -23.425 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.693 -10.516 -22.331 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.724 -11.587 -22.446 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.642 -11.793 -23.569 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.081 -8.750 -23.956 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.066 -9.872 -25.337 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.037 -8.476 -25.313 1.00 0.00 H new ATOM 1520 N ARG A 92 -3.899 -10.014 -25.008 1.00 0.00 N ATOM 1521 CA ARG A 92 -5.271 -9.756 -24.504 1.00 0.00 C ATOM 1522 C ARG A 92 -5.198 -9.163 -23.069 1.00 0.00 C ATOM 1523 O ARG A 92 -6.093 -9.361 -22.235 1.00 0.00 O ATOM 1524 CB ARG A 92 -6.167 -11.045 -24.550 1.00 0.00 C ATOM 1525 CG ARG A 92 -7.701 -10.763 -24.509 1.00 0.00 C ATOM 1526 CD ARG A 92 -8.532 -11.972 -24.052 1.00 0.00 C ATOM 1527 NE ARG A 92 -8.219 -12.337 -22.654 1.00 0.00 N ATOM 1528 CZ ARG A 92 -9.110 -12.691 -21.718 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -10.402 -12.781 -21.998 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -8.690 -12.951 -20.492 1.00 0.00 N ATOM 0 H ARG A 92 -3.675 -9.466 -25.839 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.747 -9.029 -25.162 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.936 -11.602 -25.458 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.905 -11.686 -23.708 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.891 -9.926 -23.837 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.033 -10.457 -25.501 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.594 -11.742 -24.142 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -8.334 -12.821 -24.706 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.237 -12.318 -22.377 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.735 -12.579 -22.941 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.064 -13.052 -21.271 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.698 -12.881 -20.267 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.358 -13.221 -19.771 1.00 0.00 H new ATOM 1544 N GLY A 93 -4.114 -8.410 -22.805 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.791 -7.917 -21.472 1.00 0.00 C ATOM 1546 C GLY A 93 -2.482 -8.520 -20.990 1.00 0.00 C ATOM 1547 O GLY A 93 -2.215 -9.693 -21.229 1.00 0.00 O ATOM 0 H GLY A 93 -3.441 -8.131 -23.519 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.715 -6.830 -21.487 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.593 -8.170 -20.779 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.709 -7.739 -20.250 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.310 -7.999 -19.816 1.00 0.00 C ATOM 1553 C LEU A 94 -0.087 -6.853 -18.804 1.00 0.00 C ATOM 1554 O LEU A 94 -0.759 -5.800 -18.923 1.00 0.00 O ATOM 1555 CB LEU A 94 0.722 -7.933 -21.002 1.00 0.00 C ATOM 1556 CG LEU A 94 1.386 -6.529 -21.329 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.717 -6.319 -20.558 1.00 0.00 C ATOM 1558 CD2 LEU A 94 1.596 -6.329 -22.840 1.00 0.00 C ATOM 0 H LEU A 94 -2.049 -6.842 -19.904 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.164 -8.999 -19.408 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.523 -8.641 -20.788 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.219 -8.284 -21.903 1.00 0.00 H new ATOM 0 HG LEU A 94 0.682 -5.771 -20.987 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.135 -5.345 -20.813 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.527 -6.363 -19.486 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.424 -7.101 -20.834 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.053 -5.355 -23.018 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.250 -7.112 -23.223 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.634 -6.378 -23.351 1.00 0.00 H new ATOM 1570 N VAL A 95 0.839 -6.890 -17.844 1.00 0.00 N ATOM 1571 CA VAL A 95 0.822 -5.962 -16.707 1.00 0.00 C ATOM 1572 C VAL A 95 1.897 -4.916 -17.035 1.00 0.00 C ATOM 1573 O VAL A 95 3.008 -5.302 -17.342 1.00 0.00 O ATOM 1574 CB VAL A 95 1.136 -6.700 -15.355 1.00 0.00 C ATOM 1575 CG1 VAL A 95 1.165 -5.706 -14.164 1.00 0.00 C ATOM 1576 CG2 VAL A 95 0.117 -7.846 -15.123 1.00 0.00 C ATOM 0 H VAL A 95 1.613 -7.554 -17.830 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.160 -5.509 -16.569 1.00 0.00 H new ATOM 0 HB VAL A 95 2.131 -7.141 -15.423 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.385 -6.247 -13.244 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.936 -4.955 -14.336 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.195 -5.217 -14.075 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.344 -8.350 -14.184 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.891 -7.433 -15.079 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.181 -8.561 -15.943 1.00 0.00 H new ATOM 1586 N VAL A 96 1.523 -3.621 -17.050 1.00 0.00 N ATOM 1587 CA VAL A 96 2.443 -2.491 -17.389 1.00 0.00 C ATOM 1588 C VAL A 96 2.407 -1.501 -16.215 1.00 0.00 C ATOM 1589 O VAL A 96 1.326 -1.020 -15.854 1.00 0.00 O ATOM 1590 CB VAL A 96 2.072 -1.742 -18.740 1.00 0.00 C ATOM 1591 CG1 VAL A 96 2.989 -0.510 -18.988 1.00 0.00 C ATOM 1592 CG2 VAL A 96 2.127 -2.696 -19.958 1.00 0.00 C ATOM 0 H VAL A 96 0.575 -3.317 -16.828 1.00 0.00 H new ATOM 0 HA VAL A 96 3.439 -2.903 -17.549 1.00 0.00 H new ATOM 0 HB VAL A 96 1.047 -1.389 -18.626 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.703 -0.026 -19.922 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.880 0.196 -18.165 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.027 -0.836 -19.052 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.867 -2.146 -20.863 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.134 -3.102 -20.057 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.419 -3.512 -19.813 1.00 0.00 H new ATOM 1602 N VAL A 97 3.572 -1.181 -15.610 1.00 0.00 N ATOM 1603 CA VAL A 97 3.687 -0.424 -14.352 1.00 0.00 C ATOM 1604 C VAL A 97 4.668 0.749 -14.617 1.00 0.00 C ATOM 1605 O VAL A 97 5.842 0.509 -14.932 1.00 0.00 O ATOM 1606 CB VAL A 97 4.235 -1.330 -13.176 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.205 -0.579 -11.821 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.480 -2.692 -13.079 1.00 0.00 C ATOM 0 H VAL A 97 4.477 -1.450 -15.995 1.00 0.00 H new ATOM 0 HA VAL A 97 2.705 -0.063 -14.045 1.00 0.00 H new ATOM 0 HB VAL A 97 5.275 -1.556 -13.413 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.588 -1.230 -11.035 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.826 0.314 -11.886 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.180 -0.292 -11.587 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.892 -3.278 -12.258 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.421 -2.509 -12.899 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.600 -3.242 -14.013 1.00 0.00 H new ATOM 1618 N HIS A 98 4.178 1.999 -14.524 1.00 0.00 N ATOM 1619 CA HIS A 98 4.940 3.210 -14.904 1.00 0.00 C ATOM 1620 C HIS A 98 5.950 3.564 -13.767 1.00 0.00 C ATOM 1621 O HIS A 98 5.637 3.318 -12.603 1.00 0.00 O ATOM 1622 CB HIS A 98 3.908 4.349 -15.132 1.00 0.00 C ATOM 1623 CG HIS A 98 4.471 5.666 -15.603 1.00 0.00 C ATOM 1624 ND1 HIS A 98 5.009 6.582 -14.725 1.00 0.00 N ATOM 1625 CD2 HIS A 98 4.544 6.170 -16.855 1.00 0.00 C ATOM 1626 CE1 HIS A 98 5.386 7.606 -15.467 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.126 7.400 -16.754 1.00 0.00 N ATOM 0 H HIS A 98 3.239 2.202 -14.182 1.00 0.00 H new ATOM 0 HA HIS A 98 5.518 3.056 -15.815 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.175 4.007 -15.863 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.372 4.519 -14.198 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.206 5.691 -17.762 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.848 8.501 -15.077 1.00 0.00 H new ATOM 0 HE2 HIS A 98 5.324 8.041 -17.522 1.00 0.00 H new ATOM 1635 N PRO A 99 7.179 4.112 -14.069 1.00 0.00 N ATOM 1636 CA PRO A 99 8.183 4.444 -13.025 1.00 0.00 C ATOM 1637 C PRO A 99 7.738 5.605 -12.107 1.00 0.00 C ATOM 1638 O PRO A 99 7.711 5.458 -10.881 1.00 0.00 O ATOM 1639 CB PRO A 99 9.446 4.827 -13.846 1.00 0.00 C ATOM 1640 CG PRO A 99 8.919 5.274 -15.172 1.00 0.00 C ATOM 1641 CD PRO A 99 7.697 4.424 -15.429 1.00 0.00 C ATOM 0 HA PRO A 99 8.345 3.612 -12.340 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.010 5.621 -13.357 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.120 3.977 -13.954 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.663 6.334 -15.156 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.664 5.138 -15.956 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.957 4.959 -16.024 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.951 3.516 -15.977 1.00 0.00 H new ATOM 1649 N MET A 100 7.355 6.741 -12.722 1.00 0.00 N ATOM 1650 CA MET A 100 7.135 8.005 -11.986 1.00 0.00 C ATOM 1651 C MET A 100 5.779 8.024 -11.261 1.00 0.00 C ATOM 1652 O MET A 100 5.489 8.964 -10.515 1.00 0.00 O ATOM 1653 CB MET A 100 7.288 9.225 -12.927 1.00 0.00 C ATOM 1654 CG MET A 100 8.616 9.254 -13.697 1.00 0.00 C ATOM 1655 SD MET A 100 8.902 10.805 -14.579 1.00 0.00 S ATOM 1656 CE MET A 100 7.483 10.879 -15.673 1.00 0.00 C ATOM 0 H MET A 100 7.191 6.811 -13.726 1.00 0.00 H new ATOM 0 HA MET A 100 7.905 8.071 -11.217 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.465 9.226 -13.642 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.200 10.138 -12.339 1.00 0.00 H new ATOM 0 HG2 MET A 100 9.436 9.085 -12.999 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.631 8.431 -14.411 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.621 11.685 -16.394 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.382 9.932 -16.203 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.582 11.065 -15.088 1.00 0.00 H new ATOM 1666 N THR A 101 4.957 6.981 -11.475 1.00 0.00 N ATOM 1667 CA THR A 101 3.768 6.718 -10.649 1.00 0.00 C ATOM 1668 C THR A 101 4.196 6.132 -9.299 1.00 0.00 C ATOM 1669 O THR A 101 5.307 5.598 -9.174 1.00 0.00 O ATOM 1670 CB THR A 101 2.773 5.732 -11.343 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.427 4.487 -11.632 1.00 0.00 O ATOM 1672 CG2 THR A 101 2.179 6.313 -12.635 1.00 0.00 C ATOM 0 H THR A 101 5.098 6.301 -12.222 1.00 0.00 H new ATOM 0 HA THR A 101 3.254 7.669 -10.507 1.00 0.00 H new ATOM 0 HB THR A 101 1.951 5.567 -10.646 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.207 4.652 -12.202 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.495 5.590 -13.078 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.638 7.231 -12.406 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.982 6.531 -13.339 1.00 0.00 H new ATOM 1680 N ALA A 102 3.282 6.184 -8.319 1.00 0.00 N ATOM 1681 CA ALA A 102 3.553 5.759 -6.940 1.00 0.00 C ATOM 1682 C ALA A 102 4.014 4.296 -6.861 1.00 0.00 C ATOM 1683 O ALA A 102 5.003 4.013 -6.184 1.00 0.00 O ATOM 1684 CB ALA A 102 2.315 5.978 -6.050 1.00 0.00 C ATOM 0 H ALA A 102 2.331 6.523 -8.462 1.00 0.00 H new ATOM 0 HA ALA A 102 4.371 6.378 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.537 5.657 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.051 7.036 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.479 5.397 -6.440 1.00 0.00 H new ATOM 1690 N LEU A 103 3.248 3.370 -7.502 1.00 0.00 N ATOM 1691 CA LEU A 103 3.557 1.917 -7.396 1.00 0.00 C ATOM 1692 C LEU A 103 4.958 1.646 -8.019 1.00 0.00 C ATOM 1693 O LEU A 103 5.742 0.857 -7.486 1.00 0.00 O ATOM 1694 CB LEU A 103 2.502 0.999 -8.088 1.00 0.00 C ATOM 1695 CG LEU A 103 2.620 -0.531 -7.735 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.279 -0.805 -6.243 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.759 -1.404 -8.683 1.00 0.00 C ATOM 0 H LEU A 103 2.438 3.594 -8.080 1.00 0.00 H new ATOM 0 HA LEU A 103 3.538 1.670 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.505 1.344 -7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.593 1.116 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 103 3.661 -0.815 -7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.372 -1.872 -6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.968 -0.252 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.258 -0.484 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.866 -2.453 -8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.713 -1.111 -8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.092 -1.262 -9.711 1.00 0.00 H new ATOM 1709 N GLY A 104 5.232 2.262 -9.197 1.00 0.00 N ATOM 1710 CA GLY A 104 6.584 2.324 -9.773 1.00 0.00 C ATOM 1711 C GLY A 104 7.698 2.807 -8.850 1.00 0.00 C ATOM 1712 O GLY A 104 8.820 2.364 -8.989 1.00 0.00 O ATOM 0 H GLY A 104 4.522 2.724 -9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.847 1.329 -10.133 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.554 2.980 -10.643 1.00 0.00 H new ATOM 1716 N ARG A 105 7.414 3.675 -7.870 1.00 0.00 N ATOM 1717 CA ARG A 105 8.445 4.187 -6.942 1.00 0.00 C ATOM 1718 C ARG A 105 8.455 3.286 -5.689 1.00 0.00 C ATOM 1719 O ARG A 105 9.450 3.204 -4.965 1.00 0.00 O ATOM 1720 CB ARG A 105 8.101 5.644 -6.553 1.00 0.00 C ATOM 1721 CG ARG A 105 7.998 6.597 -7.756 1.00 0.00 C ATOM 1722 CD ARG A 105 7.543 8.011 -7.375 1.00 0.00 C ATOM 1723 NE ARG A 105 8.350 8.581 -6.281 1.00 0.00 N ATOM 1724 CZ ARG A 105 8.172 9.789 -5.734 1.00 0.00 C ATOM 1725 NH1 ARG A 105 7.266 10.634 -6.209 1.00 0.00 N ATOM 1726 NH2 ARG A 105 8.917 10.157 -4.708 1.00 0.00 N ATOM 0 H ARG A 105 6.478 4.041 -7.695 1.00 0.00 H new ATOM 0 HA ARG A 105 9.429 4.174 -7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.155 5.653 -6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.863 6.018 -5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.969 6.656 -8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.298 6.181 -8.481 1.00 0.00 H new ATOM 0 HD2 ARG A 105 7.609 8.660 -8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 105 6.495 7.985 -7.076 1.00 0.00 H new ATOM 0 HE ARG A 105 9.107 8.007 -5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.689 10.367 -7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.147 11.550 -5.777 1.00 0.00 H new ATOM 0 HH21 ARG A 105 9.623 9.522 -4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.786 11.077 -4.287 1.00 0.00 H new ATOM 1740 N GLU A 106 7.307 2.602 -5.498 1.00 0.00 N ATOM 1741 CA GLU A 106 7.068 1.677 -4.389 1.00 0.00 C ATOM 1742 C GLU A 106 7.992 0.475 -4.524 1.00 0.00 C ATOM 1743 O GLU A 106 8.850 0.245 -3.664 1.00 0.00 O ATOM 1744 CB GLU A 106 5.582 1.216 -4.357 1.00 0.00 C ATOM 1745 CG GLU A 106 5.203 0.305 -3.177 1.00 0.00 C ATOM 1746 CD GLU A 106 5.444 0.970 -1.817 1.00 0.00 C ATOM 1747 OE1 GLU A 106 4.655 1.858 -1.433 1.00 0.00 O ATOM 1748 OE2 GLU A 106 6.435 0.634 -1.134 1.00 0.00 O ATOM 0 H GLU A 106 6.509 2.685 -6.128 1.00 0.00 H new ATOM 0 HA GLU A 106 7.278 2.192 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.945 2.100 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.361 0.690 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.152 0.027 -3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.782 -0.617 -3.234 1.00 0.00 H new ATOM 1755 N MET A 107 7.826 -0.298 -5.630 1.00 0.00 N ATOM 1756 CA MET A 107 8.606 -1.529 -5.822 1.00 0.00 C ATOM 1757 C MET A 107 10.063 -1.154 -6.222 1.00 0.00 C ATOM 1758 O MET A 107 10.951 -1.997 -6.160 1.00 0.00 O ATOM 1759 CB MET A 107 7.969 -2.465 -6.890 1.00 0.00 C ATOM 1760 CG MET A 107 6.525 -2.913 -6.578 1.00 0.00 C ATOM 1761 SD MET A 107 6.111 -4.540 -7.265 1.00 0.00 S ATOM 1762 CE MET A 107 6.367 -4.342 -9.029 1.00 0.00 C ATOM 0 H MET A 107 7.170 -0.088 -6.383 1.00 0.00 H new ATOM 0 HA MET A 107 8.611 -2.081 -4.882 1.00 0.00 H new ATOM 0 HB2 MET A 107 7.976 -1.953 -7.852 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.595 -3.351 -6.996 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.385 -2.937 -5.497 1.00 0.00 H new ATOM 0 HG3 MET A 107 5.829 -2.172 -6.973 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.141 -5.280 -9.537 1.00 0.00 H new ATOM 0 HE2 MET A 107 5.711 -3.558 -9.406 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.405 -4.068 -9.218 1.00 0.00 H new ATOM 1772 N GLY A 108 10.280 0.133 -6.610 1.00 0.00 N ATOM 1773 CA GLY A 108 11.622 0.687 -6.867 1.00 0.00 C ATOM 1774 C GLY A 108 11.943 0.879 -8.351 1.00 0.00 C ATOM 1775 O GLY A 108 13.088 1.157 -8.700 1.00 0.00 O ATOM 0 H GLY A 108 9.527 0.806 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.710 1.648 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.368 0.024 -6.427 1.00 0.00 H new ATOM 1779 N LEU A 109 10.932 0.743 -9.218 1.00 0.00 N ATOM 1780 CA LEU A 109 11.075 0.793 -10.689 1.00 0.00 C ATOM 1781 C LEU A 109 11.398 2.231 -11.181 1.00 0.00 C ATOM 1782 O LEU A 109 10.665 3.178 -10.884 1.00 0.00 O ATOM 1783 CB LEU A 109 9.763 0.269 -11.349 1.00 0.00 C ATOM 1784 CG LEU A 109 9.136 -1.016 -10.707 1.00 0.00 C ATOM 1785 CD1 LEU A 109 7.826 -1.416 -11.416 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.144 -2.194 -10.665 1.00 0.00 C ATOM 0 H LEU A 109 9.969 0.592 -8.916 1.00 0.00 H new ATOM 0 HA LEU A 109 11.911 0.157 -10.981 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.020 1.066 -11.317 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.966 0.064 -12.400 1.00 0.00 H new ATOM 0 HG LEU A 109 8.890 -0.772 -9.674 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.417 -2.311 -10.947 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.105 -0.602 -11.335 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.029 -1.618 -12.468 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.668 -3.064 -10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.459 -2.439 -11.679 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.014 -1.908 -10.074 1.00 0.00 H new ATOM 1798 N GLU A 110 12.501 2.375 -11.937 1.00 0.00 N ATOM 1799 CA GLU A 110 12.942 3.663 -12.540 1.00 0.00 C ATOM 1800 C GLU A 110 12.831 3.594 -14.088 1.00 0.00 C ATOM 1801 O GLU A 110 13.433 4.379 -14.831 1.00 0.00 O ATOM 1802 CB GLU A 110 14.385 3.962 -12.084 1.00 0.00 C ATOM 1803 CG GLU A 110 15.418 2.919 -12.539 1.00 0.00 C ATOM 1804 CD GLU A 110 16.808 3.136 -11.911 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.533 4.054 -12.350 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.172 2.410 -10.965 1.00 0.00 O ATOM 0 H GLU A 110 13.124 1.597 -12.154 1.00 0.00 H new ATOM 0 HA GLU A 110 12.297 4.475 -12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.680 4.939 -12.466 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.405 4.026 -10.996 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.059 1.923 -12.279 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.507 2.953 -13.625 1.00 0.00 H new ATOM 1813 N GLU A 111 11.996 2.643 -14.514 1.00 0.00 N ATOM 1814 CA GLU A 111 11.666 2.407 -15.937 1.00 0.00 C ATOM 1815 C GLU A 111 10.244 1.858 -16.036 1.00 0.00 C ATOM 1816 O GLU A 111 9.718 1.308 -15.050 1.00 0.00 O ATOM 1817 CB GLU A 111 12.668 1.414 -16.600 1.00 0.00 C ATOM 1818 CG GLU A 111 12.730 -0.011 -15.987 1.00 0.00 C ATOM 1819 CD GLU A 111 13.266 -0.044 -14.538 1.00 0.00 C ATOM 1820 OE1 GLU A 111 14.483 0.116 -14.351 1.00 0.00 O ATOM 1821 OE2 GLU A 111 12.474 -0.204 -13.587 1.00 0.00 O ATOM 0 H GLU A 111 11.520 2.003 -13.879 1.00 0.00 H new ATOM 0 HA GLU A 111 11.740 3.354 -16.471 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.411 1.322 -17.655 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.665 1.851 -16.552 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.732 -0.448 -16.005 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.364 -0.639 -16.613 1.00 0.00 H new ATOM 1828 N MET A 112 9.598 2.036 -17.213 1.00 0.00 N ATOM 1829 CA MET A 112 8.293 1.432 -17.464 1.00 0.00 C ATOM 1830 C MET A 112 8.491 -0.078 -17.618 1.00 0.00 C ATOM 1831 O MET A 112 9.219 -0.539 -18.492 1.00 0.00 O ATOM 1832 CB MET A 112 7.575 2.016 -18.705 1.00 0.00 C ATOM 1833 CG MET A 112 6.217 1.347 -18.975 1.00 0.00 C ATOM 1834 SD MET A 112 5.200 2.203 -20.186 1.00 0.00 S ATOM 1835 CE MET A 112 4.434 3.430 -19.133 1.00 0.00 C ATOM 0 H MET A 112 9.965 2.589 -17.988 1.00 0.00 H new ATOM 0 HA MET A 112 7.645 1.659 -16.618 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.426 3.086 -18.563 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.215 1.896 -19.579 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.389 0.327 -19.318 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.666 1.279 -18.037 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.922 4.170 -19.749 1.00 0.00 H new ATOM 0 HE2 MET A 112 3.713 2.945 -18.474 1.00 0.00 H new ATOM 0 HE3 MET A 112 5.199 3.924 -18.534 1.00 0.00 H new ATOM 1845 N THR A 113 7.858 -0.792 -16.714 1.00 0.00 N ATOM 1846 CA THR A 113 8.053 -2.231 -16.573 1.00 0.00 C ATOM 1847 C THR A 113 6.807 -2.981 -17.077 1.00 0.00 C ATOM 1848 O THR A 113 5.723 -2.401 -17.157 1.00 0.00 O ATOM 1849 CB THR A 113 8.385 -2.594 -15.088 1.00 0.00 C ATOM 1850 OG1 THR A 113 9.414 -1.717 -14.591 1.00 0.00 O ATOM 1851 CG2 THR A 113 8.877 -4.045 -14.940 1.00 0.00 C ATOM 0 H THR A 113 7.191 -0.397 -16.051 1.00 0.00 H new ATOM 0 HA THR A 113 8.902 -2.541 -17.183 1.00 0.00 H new ATOM 0 HB THR A 113 7.463 -2.480 -14.518 1.00 0.00 H new ATOM 0 HG1 THR A 113 9.730 -2.043 -13.723 1.00 0.00 H new ATOM 0 HG21 THR A 113 9.095 -4.250 -13.892 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.104 -4.729 -15.291 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.781 -4.185 -15.533 1.00 0.00 H new ATOM 1859 N GLY A 114 6.996 -4.255 -17.448 1.00 0.00 N ATOM 1860 CA GLY A 114 5.865 -5.151 -17.667 1.00 0.00 C ATOM 1861 C GLY A 114 6.108 -6.582 -17.242 1.00 0.00 C ATOM 1862 O GLY A 114 7.256 -6.980 -16.959 1.00 0.00 O ATOM 0 H GLY A 114 7.911 -4.679 -17.600 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.002 -4.766 -17.124 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.607 -5.138 -18.726 1.00 0.00 H new ATOM 1866 N PHE A 115 5.046 -7.416 -17.268 1.00 0.00 N ATOM 1867 CA PHE A 115 5.059 -8.760 -16.680 1.00 0.00 C ATOM 1868 C PHE A 115 3.927 -9.569 -17.342 1.00 0.00 C ATOM 1869 O PHE A 115 2.888 -8.973 -17.702 1.00 0.00 O ATOM 1870 CB PHE A 115 4.804 -8.744 -15.148 1.00 0.00 C ATOM 1871 CG PHE A 115 5.783 -7.922 -14.311 1.00 0.00 C ATOM 1872 CD1 PHE A 115 7.026 -8.432 -13.953 1.00 0.00 C ATOM 1873 CD2 PHE A 115 5.442 -6.644 -13.871 1.00 0.00 C ATOM 1874 CE1 PHE A 115 7.900 -7.693 -13.177 1.00 0.00 C ATOM 1875 CE2 PHE A 115 6.312 -5.905 -13.089 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.540 -6.432 -12.739 1.00 0.00 C ATOM 0 H PHE A 115 4.156 -7.169 -17.700 1.00 0.00 H new ATOM 0 HA PHE A 115 6.044 -9.195 -16.849 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.798 -8.363 -14.972 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.823 -9.772 -14.786 1.00 0.00 H new ATOM 0 HD1 PHE A 115 7.313 -9.419 -14.286 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.485 -6.225 -14.144 1.00 0.00 H new ATOM 0 HE1 PHE A 115 8.864 -8.101 -12.913 1.00 0.00 H new ATOM 0 HE2 PHE A 115 6.031 -4.918 -12.753 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.218 -5.859 -12.124 1.00 0.00 H new ATOM 1886 N SER A 116 4.132 -10.906 -17.494 1.00 0.00 N ATOM 1887 CA SER A 116 2.958 -11.782 -17.760 1.00 0.00 C ATOM 1888 C SER A 116 3.242 -13.294 -17.564 1.00 0.00 C ATOM 1889 O SER A 116 4.384 -13.734 -17.351 1.00 0.00 O ATOM 1890 CB SER A 116 2.470 -11.538 -19.221 1.00 0.00 C ATOM 1891 OG SER A 116 1.221 -12.148 -19.474 1.00 0.00 O ATOM 0 H SER A 116 5.035 -11.377 -17.442 1.00 0.00 H new ATOM 0 HA SER A 116 2.195 -11.516 -17.028 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.393 -10.466 -19.402 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.211 -11.927 -19.920 1.00 0.00 H new ATOM 0 HG SER A 116 1.193 -12.463 -20.402 1.00 0.00 H new ATOM 1897 N LYS A 117 2.141 -14.065 -17.668 1.00 0.00 N ATOM 1898 CA LYS A 117 2.138 -15.539 -17.750 1.00 0.00 C ATOM 1899 C LYS A 117 2.197 -15.995 -19.222 1.00 0.00 C ATOM 1900 O LYS A 117 2.415 -17.172 -19.516 1.00 0.00 O ATOM 1901 CB LYS A 117 0.839 -16.096 -17.096 1.00 0.00 C ATOM 1902 CG LYS A 117 0.706 -15.846 -15.578 1.00 0.00 C ATOM 1903 CD LYS A 117 1.782 -16.582 -14.743 1.00 0.00 C ATOM 1904 CE LYS A 117 1.893 -18.091 -15.060 1.00 0.00 C ATOM 1905 NZ LYS A 117 0.612 -18.814 -14.869 1.00 0.00 N ATOM 0 H LYS A 117 1.202 -13.667 -17.698 1.00 0.00 H new ATOM 0 HA LYS A 117 3.013 -15.919 -17.222 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -0.020 -15.651 -17.598 1.00 0.00 H new ATOM 0 HB3 LYS A 117 0.793 -17.170 -17.276 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.775 -14.775 -15.385 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.282 -16.166 -15.249 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.749 -16.111 -14.918 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.554 -16.458 -13.684 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.226 -18.218 -16.090 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.655 -18.537 -14.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.744 -19.820 -15.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.304 -18.719 -13.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.112 -18.410 -15.497 1.00 0.00 H new ATOM 1919 N THR A 118 1.969 -15.037 -20.126 1.00 0.00 N ATOM 1920 CA THR A 118 1.897 -15.236 -21.578 1.00 0.00 C ATOM 1921 C THR A 118 2.954 -14.344 -22.267 1.00 0.00 C ATOM 1922 O THR A 118 3.404 -13.347 -21.688 1.00 0.00 O ATOM 1923 CB THR A 118 0.457 -14.869 -22.090 1.00 0.00 C ATOM 1924 OG1 THR A 118 0.051 -13.639 -21.497 1.00 0.00 O ATOM 1925 CG2 THR A 118 -0.603 -15.930 -21.756 1.00 0.00 C ATOM 0 H THR A 118 1.824 -14.064 -19.857 1.00 0.00 H new ATOM 0 HA THR A 118 2.099 -16.280 -21.818 1.00 0.00 H new ATOM 0 HB THR A 118 0.523 -14.800 -23.176 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.925 -13.559 -21.544 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.572 -15.610 -22.140 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.326 -16.878 -22.216 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.664 -16.055 -20.675 1.00 0.00 H new ATOM 1933 N THR A 119 3.338 -14.707 -23.502 1.00 0.00 N ATOM 1934 CA THR A 119 4.373 -13.984 -24.263 1.00 0.00 C ATOM 1935 C THR A 119 3.862 -12.603 -24.734 1.00 0.00 C ATOM 1936 O THR A 119 2.674 -12.440 -25.049 1.00 0.00 O ATOM 1937 CB THR A 119 4.865 -14.826 -25.495 1.00 0.00 C ATOM 1938 OG1 THR A 119 5.958 -14.159 -26.158 1.00 0.00 O ATOM 1939 CG2 THR A 119 3.739 -15.116 -26.517 1.00 0.00 C ATOM 0 H THR A 119 2.943 -15.505 -23.999 1.00 0.00 H new ATOM 0 HA THR A 119 5.217 -13.828 -23.591 1.00 0.00 H new ATOM 0 HB THR A 119 5.199 -15.785 -25.098 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.254 -14.697 -26.922 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.141 -15.701 -27.345 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.941 -15.677 -26.030 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.341 -14.175 -26.897 1.00 0.00 H new ATOM 1947 N PHE A 120 4.768 -11.617 -24.756 1.00 0.00 N ATOM 1948 CA PHE A 120 4.509 -10.271 -25.288 1.00 0.00 C ATOM 1949 C PHE A 120 5.827 -9.656 -25.780 1.00 0.00 C ATOM 1950 O PHE A 120 5.841 -9.015 -26.850 1.00 0.00 O ATOM 1951 CB PHE A 120 3.829 -9.350 -24.239 1.00 0.00 C ATOM 1952 CG PHE A 120 4.615 -9.070 -22.950 1.00 0.00 C ATOM 1953 CD1 PHE A 120 4.706 -10.024 -21.944 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.242 -7.836 -22.743 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.402 -9.763 -20.778 1.00 0.00 C ATOM 1956 CE2 PHE A 120 5.933 -7.577 -21.576 1.00 0.00 C ATOM 1957 CZ PHE A 120 6.011 -8.538 -20.592 1.00 0.00 C ATOM 1958 OXT PHE A 120 6.864 -9.871 -25.117 1.00 0.00 O ATOM 0 H PHE A 120 5.717 -11.733 -24.399 1.00 0.00 H new ATOM 0 HA PHE A 120 3.814 -10.362 -26.123 1.00 0.00 H new ATOM 0 HB2 PHE A 120 3.609 -8.395 -24.717 1.00 0.00 H new ATOM 0 HB3 PHE A 120 2.873 -9.796 -23.964 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.226 -10.983 -22.075 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.185 -7.075 -23.507 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.469 -10.520 -20.010 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.413 -6.620 -21.434 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.547 -8.334 -19.677 1.00 0.00 H new