USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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 73 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.6) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -1.86 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 137:sc= -0.407 (180deg=-1.92) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.175 K(o=0.17,f=-2.1!) USER MOD Single : A 35 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.45) USER MOD Single : A 36 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 37 CYS SG : rot 3:sc= -0.291 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.301 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.184 F(o=-0.93,f=-0.18) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.83 K(o=-1.8,f=-5.9!) USER MOD Single : A 57 GLN :FLIP amide:sc= 0.6 F(o=-0.065,f=0.6) USER MOD Single : A 61 MET CE :methyl -144:sc= -0.896 (180deg=-1.32) USER MOD Single : A 63 SER OG : rot -146:sc= 0.285 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 79 SER OG : rot -171:sc= 0.00586 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.37 K(o=-0.37,f=-2.6!) USER MOD Single : A 89 ASN : amide:sc= -2.28! C(o=-2.3!,f=-2.6!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.635 USER MOD Single : A 99 TYR OH : rot 46:sc= 0.235 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -6.699 -1.147 5.276 1.00 0.00 N ATOM 67 CA LEU A 8 -6.519 -1.995 4.109 1.00 0.00 C ATOM 68 C LEU A 8 -7.677 -1.766 3.135 1.00 0.00 C ATOM 69 O LEU A 8 -7.480 -1.226 2.048 1.00 0.00 O ATOM 70 CB LEU A 8 -6.349 -3.456 4.530 1.00 0.00 C ATOM 71 CG LEU A 8 -4.973 -3.841 5.075 1.00 0.00 C ATOM 72 CD1 LEU A 8 -4.493 -2.830 6.118 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.980 -5.270 5.622 1.00 0.00 C ATOM 0 HA LEU A 8 -5.602 -1.730 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.096 -3.683 5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.567 -4.089 3.670 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.260 -3.815 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.512 -3.128 6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.424 -1.842 5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.200 -2.799 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.990 -5.519 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.709 -5.347 6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.246 -5.964 4.824 1.00 0.00 H new ATOM 85 N GLY A 9 -8.858 -2.189 3.560 1.00 0.00 N ATOM 86 CA GLY A 9 -10.047 -2.037 2.739 1.00 0.00 C ATOM 87 C GLY A 9 -9.921 -0.828 1.810 1.00 0.00 C ATOM 88 O GLY A 9 -9.811 -0.983 0.595 1.00 0.00 O ATOM 0 H GLY A 9 -9.017 -2.637 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.203 -2.940 2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.922 -1.919 3.378 1.00 0.00 H new ATOM 92 N ALA A 10 -9.942 0.350 2.417 1.00 0.00 N ATOM 93 CA ALA A 10 -9.831 1.585 1.660 1.00 0.00 C ATOM 94 C ALA A 10 -8.620 1.500 0.729 1.00 0.00 C ATOM 95 O ALA A 10 -8.762 1.593 -0.490 1.00 0.00 O ATOM 96 CB ALA A 10 -9.743 2.769 2.625 1.00 0.00 C ATOM 0 H ALA A 10 -10.034 0.475 3.425 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.714 1.736 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.660 3.696 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.640 2.802 3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.867 2.654 3.263 1.00 0.00 H new ATOM 102 N LEU A 11 -7.457 1.325 1.338 1.00 0.00 N ATOM 103 CA LEU A 11 -6.222 1.227 0.578 1.00 0.00 C ATOM 104 C LEU A 11 -6.418 0.247 -0.581 1.00 0.00 C ATOM 105 O LEU A 11 -6.194 0.597 -1.739 1.00 0.00 O ATOM 106 CB LEU A 11 -5.054 0.865 1.498 1.00 0.00 C ATOM 107 CG LEU A 11 -3.979 -0.040 0.894 1.00 0.00 C ATOM 108 CD1 LEU A 11 -4.384 -1.513 0.992 1.00 0.00 C ATOM 109 CD2 LEU A 11 -3.661 0.371 -0.545 1.00 0.00 C ATOM 0 H LEU A 11 -7.343 1.248 2.349 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.966 2.192 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.579 1.788 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.455 0.376 2.386 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.064 0.083 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.603 -2.135 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.521 -1.784 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.317 -1.670 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.894 -0.289 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.563 0.296 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.300 1.399 -0.558 1.00 0.00 H new ATOM 121 N TYR A 12 -6.833 -0.961 -0.229 1.00 0.00 N ATOM 122 CA TYR A 12 -7.062 -1.994 -1.225 1.00 0.00 C ATOM 123 C TYR A 12 -7.972 -1.484 -2.344 1.00 0.00 C ATOM 124 O TYR A 12 -7.629 -1.581 -3.521 1.00 0.00 O ATOM 125 CB TYR A 12 -7.765 -3.138 -0.493 1.00 0.00 C ATOM 126 CG TYR A 12 -8.170 -4.302 -1.400 1.00 0.00 C ATOM 127 CD1 TYR A 12 -7.211 -4.965 -2.139 1.00 0.00 C ATOM 128 CD2 TYR A 12 -9.492 -4.689 -1.478 1.00 0.00 C ATOM 129 CE1 TYR A 12 -7.592 -6.061 -2.993 1.00 0.00 C ATOM 130 CE2 TYR A 12 -9.872 -5.784 -2.332 1.00 0.00 C ATOM 131 CZ TYR A 12 -8.903 -6.416 -3.047 1.00 0.00 C ATOM 132 OH TYR A 12 -9.263 -7.451 -3.853 1.00 0.00 O ATOM 0 H TYR A 12 -7.017 -1.248 0.733 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.121 -2.305 -1.679 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.106 -3.513 0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.656 -2.748 -0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.176 -4.662 -2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.242 -4.171 -0.899 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.853 -6.589 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -10.903 -6.097 -2.403 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.231 -7.593 -3.790 1.00 0.00 H new ATOM 142 N LEU A 13 -9.115 -0.952 -1.938 1.00 0.00 N ATOM 143 CA LEU A 13 -10.077 -0.427 -2.891 1.00 0.00 C ATOM 144 C LEU A 13 -9.339 0.372 -3.967 1.00 0.00 C ATOM 145 O LEU A 13 -9.704 0.324 -5.141 1.00 0.00 O ATOM 146 CB LEU A 13 -11.165 0.372 -2.171 1.00 0.00 C ATOM 147 CG LEU A 13 -12.313 -0.445 -1.574 1.00 0.00 C ATOM 148 CD1 LEU A 13 -13.244 0.442 -0.745 1.00 0.00 C ATOM 149 CD2 LEU A 13 -13.068 -1.208 -2.664 1.00 0.00 C ATOM 0 H LEU A 13 -9.397 -0.873 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.595 -1.242 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.698 0.944 -1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.585 1.092 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.889 -1.187 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.051 -0.163 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.681 0.900 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.664 1.222 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.878 -1.780 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.480 -0.501 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.384 -1.887 -3.173 1.00 0.00 H new ATOM 161 N SER A 14 -8.314 1.088 -3.528 1.00 0.00 N ATOM 162 CA SER A 14 -7.521 1.896 -4.439 1.00 0.00 C ATOM 163 C SER A 14 -6.719 0.992 -5.377 1.00 0.00 C ATOM 164 O SER A 14 -6.792 1.136 -6.597 1.00 0.00 O ATOM 165 CB SER A 14 -6.584 2.831 -3.672 1.00 0.00 C ATOM 166 OG SER A 14 -6.738 4.189 -4.074 1.00 0.00 O ATOM 0 H SER A 14 -8.014 1.125 -2.554 1.00 0.00 H new ATOM 0 HA SER A 14 -8.199 2.511 -5.030 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.781 2.745 -2.603 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.551 2.521 -3.832 1.00 0.00 H new ATOM 0 HG SER A 14 -6.124 4.754 -3.560 1.00 0.00 H new ATOM 172 N MET A 15 -5.971 0.080 -4.772 1.00 0.00 N ATOM 173 CA MET A 15 -5.156 -0.847 -5.538 1.00 0.00 C ATOM 174 C MET A 15 -5.934 -1.404 -6.732 1.00 0.00 C ATOM 175 O MET A 15 -5.340 -1.800 -7.735 1.00 0.00 O ATOM 176 CB MET A 15 -4.710 -2.000 -4.637 1.00 0.00 C ATOM 177 CG MET A 15 -3.565 -1.567 -3.719 1.00 0.00 C ATOM 178 SD MET A 15 -3.368 -2.744 -2.392 1.00 0.00 S ATOM 179 CE MET A 15 -1.644 -3.159 -2.600 1.00 0.00 C ATOM 0 H MET A 15 -5.913 -0.036 -3.760 1.00 0.00 H new ATOM 0 HA MET A 15 -4.285 -0.310 -5.914 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.552 -2.344 -4.036 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.391 -2.843 -5.250 1.00 0.00 H new ATOM 0 HG2 MET A 15 -2.639 -1.491 -4.289 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.770 -0.577 -3.311 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.158 -3.196 -1.625 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.560 -4.132 -3.084 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.160 -2.403 -3.218 1.00 0.00 H new ATOM 189 N LYS A 16 -7.250 -1.416 -6.586 1.00 0.00 N ATOM 190 CA LYS A 16 -8.116 -1.918 -7.640 1.00 0.00 C ATOM 191 C LYS A 16 -8.022 -0.993 -8.855 1.00 0.00 C ATOM 192 O LYS A 16 -7.846 -1.456 -9.981 1.00 0.00 O ATOM 193 CB LYS A 16 -9.542 -2.106 -7.119 1.00 0.00 C ATOM 194 CG LYS A 16 -9.587 -3.164 -6.014 1.00 0.00 C ATOM 195 CD LYS A 16 -10.901 -3.947 -6.057 1.00 0.00 C ATOM 196 CE LYS A 16 -12.027 -3.165 -5.377 1.00 0.00 C ATOM 197 NZ LYS A 16 -12.837 -2.443 -6.384 1.00 0.00 N ATOM 0 H LYS A 16 -7.739 -1.086 -5.754 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.788 -2.906 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.921 -1.159 -6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.196 -2.403 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.747 -3.850 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.477 -2.684 -5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.171 -4.155 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.771 -4.910 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.662 -3.847 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.606 -2.456 -4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.597 -1.917 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.231 -1.778 -6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.253 -3.126 -7.049 1.00 0.00 H new ATOM 211 N ASP A 17 -8.144 0.299 -8.585 1.00 0.00 N ATOM 212 CA ASP A 17 -8.076 1.294 -9.642 1.00 0.00 C ATOM 213 C ASP A 17 -6.850 1.020 -10.516 1.00 0.00 C ATOM 214 O ASP A 17 -5.716 1.116 -10.049 1.00 0.00 O ATOM 215 CB ASP A 17 -7.939 2.703 -9.064 1.00 0.00 C ATOM 216 CG ASP A 17 -8.579 3.812 -9.902 1.00 0.00 C ATOM 217 OD1 ASP A 17 -8.088 4.025 -11.031 1.00 0.00 O ATOM 218 OD2 ASP A 17 -9.546 4.420 -9.394 1.00 0.00 O ATOM 0 H ASP A 17 -8.289 0.679 -7.650 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.995 1.231 -10.224 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.385 2.716 -8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.879 2.927 -8.941 1.00 0.00 H new ATOM 223 N PRO A 18 -7.126 0.675 -11.802 1.00 0.00 N ATOM 224 CA PRO A 18 -6.060 0.386 -12.745 1.00 0.00 C ATOM 225 C PRO A 18 -5.369 1.673 -13.202 1.00 0.00 C ATOM 226 O PRO A 18 -4.427 1.629 -13.993 1.00 0.00 O ATOM 227 CB PRO A 18 -6.733 -0.363 -13.883 1.00 0.00 C ATOM 228 CG PRO A 18 -8.217 -0.061 -13.761 1.00 0.00 C ATOM 229 CD PRO A 18 -8.457 0.551 -12.390 1.00 0.00 C ATOM 0 HA PRO A 18 -5.263 -0.215 -12.307 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.346 -0.036 -14.848 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.545 -1.434 -13.810 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.533 0.626 -14.546 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.803 -0.972 -13.880 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.947 1.521 -12.470 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.102 -0.082 -11.781 1.00 0.00 H new ATOM 237 N GLU A 19 -5.864 2.788 -12.685 1.00 0.00 N ATOM 238 CA GLU A 19 -5.306 4.084 -13.030 1.00 0.00 C ATOM 239 C GLU A 19 -4.746 4.771 -11.783 1.00 0.00 C ATOM 240 O GLU A 19 -3.581 5.163 -11.755 1.00 0.00 O ATOM 241 CB GLU A 19 -6.351 4.965 -13.719 1.00 0.00 C ATOM 242 CG GLU A 19 -6.301 4.790 -15.238 1.00 0.00 C ATOM 243 CD GLU A 19 -6.706 6.081 -15.952 1.00 0.00 C ATOM 244 OE1 GLU A 19 -7.924 6.241 -16.187 1.00 0.00 O ATOM 245 OE2 GLU A 19 -5.790 6.878 -16.247 1.00 0.00 O ATOM 0 H GLU A 19 -6.645 2.820 -12.030 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.488 3.929 -13.733 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.345 4.710 -13.353 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.176 6.010 -13.464 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.294 4.503 -15.542 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.967 3.981 -15.537 1.00 0.00 H new ATOM 252 N LYS A 20 -5.604 4.895 -10.780 1.00 0.00 N ATOM 253 CA LYS A 20 -5.209 5.527 -9.533 1.00 0.00 C ATOM 254 C LYS A 20 -4.817 4.449 -8.521 1.00 0.00 C ATOM 255 O LYS A 20 -4.704 4.723 -7.327 1.00 0.00 O ATOM 256 CB LYS A 20 -6.312 6.465 -9.035 1.00 0.00 C ATOM 257 CG LYS A 20 -6.326 7.768 -9.837 1.00 0.00 C ATOM 258 CD LYS A 20 -6.928 8.910 -9.017 1.00 0.00 C ATOM 259 CE LYS A 20 -7.837 9.786 -9.880 1.00 0.00 C ATOM 260 NZ LYS A 20 -9.255 9.584 -9.510 1.00 0.00 N ATOM 0 H LYS A 20 -6.570 4.569 -10.806 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.332 6.155 -9.686 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.280 5.971 -9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.158 6.685 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.310 8.026 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.902 7.630 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.497 8.502 -8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.129 9.517 -8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.568 10.835 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.692 9.544 -10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.858 10.186 -10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.512 8.587 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.392 9.837 -8.511 1.00 0.00 H new ATOM 274 N GLY A 21 -4.620 3.244 -9.035 1.00 0.00 N ATOM 275 CA GLY A 21 -4.242 2.122 -8.192 1.00 0.00 C ATOM 276 C GLY A 21 -3.177 1.259 -8.871 1.00 0.00 C ATOM 277 O GLY A 21 -2.452 1.734 -9.744 1.00 0.00 O ATOM 0 H GLY A 21 -4.715 3.020 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.863 2.491 -7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.121 1.515 -7.972 1.00 0.00 H new ATOM 281 N ILE A 22 -3.116 0.007 -8.444 1.00 0.00 N ATOM 282 CA ILE A 22 -2.151 -0.927 -9.000 1.00 0.00 C ATOM 283 C ILE A 22 -2.604 -1.348 -10.400 1.00 0.00 C ATOM 284 O ILE A 22 -3.800 -1.381 -10.685 1.00 0.00 O ATOM 285 CB ILE A 22 -1.931 -2.102 -8.045 1.00 0.00 C ATOM 286 CG1 ILE A 22 -0.498 -2.111 -7.508 1.00 0.00 C ATOM 287 CG2 ILE A 22 -2.301 -3.428 -8.713 1.00 0.00 C ATOM 288 CD1 ILE A 22 -0.349 -3.109 -6.358 1.00 0.00 C ATOM 0 H ILE A 22 -3.719 -0.383 -7.720 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.177 -0.449 -9.110 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.595 -1.976 -7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.193 -2.370 -8.310 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.228 -1.112 -7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.135 -4.247 -8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.351 -3.408 -9.006 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.681 -3.576 -9.597 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.679 -3.095 -5.995 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.024 -2.834 -5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.596 -4.110 -6.711 1.00 0.00 H new ATOM 300 N LYS A 23 -1.624 -1.661 -11.235 1.00 0.00 N ATOM 301 CA LYS A 23 -1.906 -2.079 -12.597 1.00 0.00 C ATOM 302 C LYS A 23 -2.104 -3.596 -12.630 1.00 0.00 C ATOM 303 O LYS A 23 -2.122 -4.246 -11.586 1.00 0.00 O ATOM 304 CB LYS A 23 -0.817 -1.580 -13.548 1.00 0.00 C ATOM 305 CG LYS A 23 -0.976 -0.084 -13.829 1.00 0.00 C ATOM 306 CD LYS A 23 -0.630 0.746 -12.591 1.00 0.00 C ATOM 307 CE LYS A 23 0.428 1.801 -12.917 1.00 0.00 C ATOM 308 NZ LYS A 23 -0.198 3.132 -13.077 1.00 0.00 N ATOM 0 H LYS A 23 -0.633 -1.633 -10.994 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.834 -1.628 -12.949 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.165 -1.770 -13.114 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.864 -2.136 -14.484 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.329 0.205 -14.657 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.001 0.125 -14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.529 1.232 -12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.264 0.091 -11.800 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.172 1.836 -12.121 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.953 1.527 -13.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.535 3.836 -13.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.891 3.099 -13.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.679 3.398 -12.194 1.00 0.00 H new ATOM 322 N GLU A 24 -2.247 -4.116 -13.840 1.00 0.00 N ATOM 323 CA GLU A 24 -2.442 -5.544 -14.023 1.00 0.00 C ATOM 324 C GLU A 24 -1.674 -6.032 -15.253 1.00 0.00 C ATOM 325 O GLU A 24 -2.235 -6.123 -16.344 1.00 0.00 O ATOM 326 CB GLU A 24 -3.929 -5.884 -14.135 1.00 0.00 C ATOM 327 CG GLU A 24 -4.617 -5.792 -12.771 1.00 0.00 C ATOM 328 CD GLU A 24 -5.200 -7.145 -12.358 1.00 0.00 C ATOM 329 OE1 GLU A 24 -4.387 -8.060 -12.108 1.00 0.00 O ATOM 330 OE2 GLU A 24 -6.445 -7.232 -12.301 1.00 0.00 O ATOM 0 H GLU A 24 -2.232 -3.574 -14.704 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.050 -6.059 -13.146 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.410 -5.201 -14.836 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.046 -6.890 -14.538 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.901 -5.456 -12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.411 -5.046 -12.810 1.00 0.00 H new ATOM 337 N LEU A 25 -0.402 -6.333 -15.037 1.00 0.00 N ATOM 338 CA LEU A 25 0.448 -6.809 -16.114 1.00 0.00 C ATOM 339 C LEU A 25 0.289 -8.324 -16.252 1.00 0.00 C ATOM 340 O LEU A 25 0.002 -9.013 -15.275 1.00 0.00 O ATOM 341 CB LEU A 25 1.894 -6.360 -15.893 1.00 0.00 C ATOM 342 CG LEU A 25 2.097 -4.873 -15.596 1.00 0.00 C ATOM 343 CD1 LEU A 25 1.410 -4.004 -16.650 1.00 0.00 C ATOM 344 CD2 LEU A 25 1.634 -4.530 -14.179 1.00 0.00 C ATOM 0 H LEU A 25 0.060 -6.256 -14.131 1.00 0.00 H new ATOM 0 HA LEU A 25 0.143 -6.369 -17.063 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.310 -6.935 -15.066 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.472 -6.615 -16.781 1.00 0.00 H new ATOM 0 HG LEU A 25 3.164 -4.657 -15.648 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.570 -2.952 -16.415 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.829 -4.224 -17.632 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.341 -4.216 -16.656 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.789 -3.467 -13.993 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.575 -4.766 -14.075 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.208 -5.112 -13.458 1.00 0.00 H new ATOM 356 N ASN A 26 0.482 -8.799 -17.474 1.00 0.00 N ATOM 357 CA ASN A 26 0.363 -10.220 -17.753 1.00 0.00 C ATOM 358 C ASN A 26 1.698 -10.907 -17.455 1.00 0.00 C ATOM 359 O ASN A 26 2.752 -10.431 -17.874 1.00 0.00 O ATOM 360 CB ASN A 26 0.023 -10.466 -19.224 1.00 0.00 C ATOM 361 CG ASN A 26 1.002 -9.734 -20.143 1.00 0.00 C ATOM 362 OD1 ASN A 26 0.965 -8.524 -20.294 1.00 0.00 O ATOM 363 ND2 ASN A 26 1.877 -10.533 -20.748 1.00 0.00 N ATOM 0 H ASN A 26 0.720 -8.224 -18.282 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.434 -10.621 -17.127 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.052 -11.535 -19.434 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.993 -10.129 -19.427 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.572 -10.140 -21.383 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.853 -11.538 -20.577 1.00 0.00 H new ATOM 370 N LEU A 27 1.609 -12.014 -16.734 1.00 0.00 N ATOM 371 CA LEU A 27 2.796 -12.772 -16.375 1.00 0.00 C ATOM 372 C LEU A 27 2.609 -14.232 -16.792 1.00 0.00 C ATOM 373 O LEU A 27 1.690 -14.902 -16.325 1.00 0.00 O ATOM 374 CB LEU A 27 3.117 -12.592 -14.890 1.00 0.00 C ATOM 375 CG LEU A 27 3.286 -11.150 -14.410 1.00 0.00 C ATOM 376 CD1 LEU A 27 2.703 -10.967 -13.007 1.00 0.00 C ATOM 377 CD2 LEU A 27 4.752 -10.716 -14.482 1.00 0.00 C ATOM 0 H LEU A 27 0.733 -12.405 -16.388 1.00 0.00 H new ATOM 0 HA LEU A 27 3.666 -12.396 -16.913 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.321 -13.057 -14.308 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.034 -13.137 -14.668 1.00 0.00 H new ATOM 0 HG LEU A 27 2.724 -10.499 -15.080 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.836 -9.933 -12.690 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.640 -11.208 -13.020 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.217 -11.629 -12.310 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.844 -9.687 -14.135 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.356 -11.367 -13.850 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.101 -10.784 -15.512 1.00 0.00 H new ATOM 482 N VAL A 33 -0.484 -18.926 -18.576 1.00 0.00 N ATOM 483 CA VAL A 33 -0.545 -17.498 -18.834 1.00 0.00 C ATOM 484 C VAL A 33 -1.438 -16.832 -17.786 1.00 0.00 C ATOM 485 O VAL A 33 -2.621 -16.599 -18.031 1.00 0.00 O ATOM 486 CB VAL A 33 -1.014 -17.245 -20.268 1.00 0.00 C ATOM 487 CG1 VAL A 33 -1.349 -15.767 -20.483 1.00 0.00 C ATOM 488 CG2 VAL A 33 0.029 -17.723 -21.279 1.00 0.00 C ATOM 0 HA VAL A 33 0.446 -17.052 -18.747 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.925 -17.822 -20.429 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.680 -15.615 -21.510 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.144 -15.471 -19.798 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.463 -15.162 -20.294 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.330 -17.531 -22.290 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.964 -17.187 -21.118 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.197 -18.792 -21.150 1.00 0.00 H new ATOM 498 N PHE A 34 -0.838 -16.543 -16.640 1.00 0.00 N ATOM 499 CA PHE A 34 -1.565 -15.908 -15.554 1.00 0.00 C ATOM 500 C PHE A 34 -1.844 -14.437 -15.867 1.00 0.00 C ATOM 501 O PHE A 34 -0.958 -13.593 -15.742 1.00 0.00 O ATOM 502 CB PHE A 34 -0.677 -15.994 -14.311 1.00 0.00 C ATOM 503 CG PHE A 34 -0.672 -17.370 -13.643 1.00 0.00 C ATOM 504 CD1 PHE A 34 -1.724 -17.754 -12.871 1.00 0.00 C ATOM 505 CD2 PHE A 34 0.384 -18.209 -13.821 1.00 0.00 C ATOM 506 CE1 PHE A 34 -1.720 -19.032 -12.250 1.00 0.00 C ATOM 507 CE2 PHE A 34 0.388 -19.486 -13.200 1.00 0.00 C ATOM 508 CZ PHE A 34 -0.664 -19.871 -12.428 1.00 0.00 C ATOM 0 H PHE A 34 0.143 -16.737 -16.440 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.522 -16.407 -15.405 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.344 -15.732 -14.588 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.011 -15.251 -13.587 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.562 -17.088 -12.730 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.219 -17.904 -14.434 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.555 -19.337 -11.637 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.227 -20.152 -13.341 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.661 -20.843 -11.956 1.00 0.00 H new ATOM 518 N ASN A 35 -3.079 -14.174 -16.267 1.00 0.00 N ATOM 519 CA ASN A 35 -3.486 -12.819 -16.599 1.00 0.00 C ATOM 520 C ASN A 35 -4.133 -12.171 -15.373 1.00 0.00 C ATOM 521 O ASN A 35 -4.732 -12.858 -14.547 1.00 0.00 O ATOM 522 CB ASN A 35 -4.513 -12.814 -17.733 1.00 0.00 C ATOM 523 CG ASN A 35 -4.051 -11.921 -18.886 1.00 0.00 C ATOM 524 OD1 ASN A 35 -3.608 -10.800 -18.698 1.00 0.00 O ATOM 525 ND2 ASN A 35 -4.180 -12.477 -20.087 1.00 0.00 N ATOM 0 H ASN A 35 -3.812 -14.876 -16.369 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.599 -12.268 -16.913 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.666 -13.831 -18.094 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.473 -12.461 -17.357 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.900 -11.960 -20.921 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.558 -13.420 -20.174 1.00 0.00 H new ATOM 532 N HIS A 36 -3.991 -10.856 -15.294 1.00 0.00 N ATOM 533 CA HIS A 36 -4.554 -10.108 -14.184 1.00 0.00 C ATOM 534 C HIS A 36 -3.849 -10.507 -12.886 1.00 0.00 C ATOM 535 O HIS A 36 -4.493 -10.944 -11.934 1.00 0.00 O ATOM 536 CB HIS A 36 -6.071 -10.295 -14.116 1.00 0.00 C ATOM 537 CG HIS A 36 -6.830 -9.553 -15.190 1.00 0.00 C ATOM 538 ND1 HIS A 36 -7.978 -8.825 -14.929 1.00 0.00 N ATOM 539 CD2 HIS A 36 -6.594 -9.434 -16.528 1.00 0.00 C ATOM 540 CE1 HIS A 36 -8.405 -8.296 -16.067 1.00 0.00 C ATOM 541 NE2 HIS A 36 -7.546 -8.675 -17.056 1.00 0.00 N ATOM 0 H HIS A 36 -3.494 -10.290 -15.981 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.384 -9.042 -14.336 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.300 -11.358 -14.192 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.424 -9.962 -13.140 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.772 -9.882 -17.067 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.279 -7.674 -16.189 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.623 -8.417 -18.040 1.00 0.00 H new ATOM 549 N CYS A 37 -2.534 -10.342 -12.890 1.00 0.00 N ATOM 550 CA CYS A 37 -1.734 -10.679 -11.725 1.00 0.00 C ATOM 551 C CYS A 37 -0.766 -9.525 -11.456 1.00 0.00 C ATOM 552 O CYS A 37 -0.483 -8.728 -12.348 1.00 0.00 O ATOM 553 CB CYS A 37 -1.000 -12.009 -11.908 1.00 0.00 C ATOM 554 SG CYS A 37 -2.196 -13.393 -11.885 1.00 0.00 S ATOM 0 H CYS A 37 -2.003 -9.979 -13.682 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.385 -10.814 -10.861 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.454 -12.005 -12.851 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.265 -12.140 -11.114 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.403 -12.921 -11.787 1.00 0.00 H new ATOM 560 N LEU A 38 -0.286 -9.473 -10.222 1.00 0.00 N ATOM 561 CA LEU A 38 0.644 -8.430 -9.824 1.00 0.00 C ATOM 562 C LEU A 38 1.983 -9.064 -9.444 1.00 0.00 C ATOM 563 O LEU A 38 2.351 -10.111 -9.975 1.00 0.00 O ATOM 564 CB LEU A 38 0.037 -7.565 -8.717 1.00 0.00 C ATOM 565 CG LEU A 38 -1.474 -7.337 -8.796 1.00 0.00 C ATOM 566 CD1 LEU A 38 -1.989 -6.639 -7.536 1.00 0.00 C ATOM 567 CD2 LEU A 38 -1.847 -6.573 -10.068 1.00 0.00 C ATOM 0 H LEU A 38 -0.524 -10.136 -9.485 1.00 0.00 H new ATOM 0 HA LEU A 38 0.836 -7.753 -10.657 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.265 -8.027 -7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.532 -6.594 -8.729 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.964 -8.309 -8.849 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.066 -6.489 -7.618 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.774 -7.257 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.495 -5.673 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.926 -6.424 -10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.347 -5.605 -10.071 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.534 -7.145 -10.941 1.00 0.00 H new ATOM 579 N THR A 39 2.676 -8.403 -8.529 1.00 0.00 N ATOM 580 CA THR A 39 3.967 -8.890 -8.072 1.00 0.00 C ATOM 581 C THR A 39 4.328 -8.260 -6.725 1.00 0.00 C ATOM 582 O THR A 39 4.293 -7.039 -6.577 1.00 0.00 O ATOM 583 CB THR A 39 4.994 -8.606 -9.170 1.00 0.00 C ATOM 584 OG1 THR A 39 4.603 -7.341 -9.694 1.00 0.00 O ATOM 585 CG2 THR A 39 4.859 -9.560 -10.359 1.00 0.00 C ATOM 0 H THR A 39 2.368 -7.534 -8.092 1.00 0.00 H new ATOM 0 HA THR A 39 3.945 -9.966 -7.897 1.00 0.00 H new ATOM 0 HB THR A 39 5.999 -8.683 -8.755 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.218 -7.080 -10.411 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.611 -9.315 -11.109 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.005 -10.586 -10.021 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.865 -9.459 -10.795 1.00 0.00 H new ATOM 593 N GLY A 40 4.665 -9.122 -5.777 1.00 0.00 N ATOM 594 CA GLY A 40 5.032 -8.665 -4.447 1.00 0.00 C ATOM 595 C GLY A 40 6.052 -7.526 -4.520 1.00 0.00 C ATOM 596 O GLY A 40 6.135 -6.704 -3.610 1.00 0.00 O ATOM 0 H GLY A 40 4.692 -10.134 -5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.142 -8.327 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.448 -9.495 -3.876 1.00 0.00 H new ATOM 600 N SER A 41 6.802 -7.516 -5.612 1.00 0.00 N ATOM 601 CA SER A 41 7.812 -6.492 -5.816 1.00 0.00 C ATOM 602 C SER A 41 7.175 -5.241 -6.424 1.00 0.00 C ATOM 603 O SER A 41 7.469 -4.123 -6.004 1.00 0.00 O ATOM 604 CB SER A 41 8.941 -7.002 -6.713 1.00 0.00 C ATOM 605 OG SER A 41 9.620 -5.938 -7.375 1.00 0.00 O ATOM 0 H SER A 41 6.730 -8.201 -6.365 1.00 0.00 H new ATOM 0 HA SER A 41 8.241 -6.238 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.653 -7.568 -6.113 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.533 -7.688 -7.455 1.00 0.00 H new ATOM 0 HG SER A 41 10.334 -6.305 -7.937 1.00 0.00 H new ATOM 611 N GLY A 42 6.313 -5.472 -7.404 1.00 0.00 N ATOM 612 CA GLY A 42 5.632 -4.378 -8.074 1.00 0.00 C ATOM 613 C GLY A 42 4.598 -3.728 -7.152 1.00 0.00 C ATOM 614 O GLY A 42 4.496 -2.503 -7.094 1.00 0.00 O ATOM 0 H GLY A 42 6.071 -6.401 -7.750 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.360 -3.632 -8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.140 -4.748 -8.974 1.00 0.00 H new ATOM 618 N VAL A 43 3.859 -4.577 -6.453 1.00 0.00 N ATOM 619 CA VAL A 43 2.838 -4.100 -5.536 1.00 0.00 C ATOM 620 C VAL A 43 3.448 -3.060 -4.595 1.00 0.00 C ATOM 621 O VAL A 43 2.951 -1.940 -4.495 1.00 0.00 O ATOM 622 CB VAL A 43 2.209 -5.282 -4.794 1.00 0.00 C ATOM 623 CG1 VAL A 43 1.681 -6.328 -5.777 1.00 0.00 C ATOM 624 CG2 VAL A 43 3.202 -5.904 -3.812 1.00 0.00 C ATOM 0 H VAL A 43 3.947 -5.592 -6.503 1.00 0.00 H new ATOM 0 HA VAL A 43 2.033 -3.610 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 43 1.363 -4.905 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.239 -7.157 -5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.924 -5.876 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.502 -6.698 -6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.730 -6.741 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.077 -6.259 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.508 -5.156 -3.081 1.00 0.00 H new ATOM 634 N ILE A 44 4.518 -3.468 -3.928 1.00 0.00 N ATOM 635 CA ILE A 44 5.202 -2.585 -2.999 1.00 0.00 C ATOM 636 C ILE A 44 5.592 -1.294 -3.721 1.00 0.00 C ATOM 637 O ILE A 44 5.327 -0.198 -3.228 1.00 0.00 O ATOM 638 CB ILE A 44 6.384 -3.305 -2.347 1.00 0.00 C ATOM 639 CG1 ILE A 44 5.921 -4.566 -1.614 1.00 0.00 C ATOM 640 CG2 ILE A 44 7.162 -2.361 -1.428 1.00 0.00 C ATOM 641 CD1 ILE A 44 7.115 -5.435 -1.210 1.00 0.00 C ATOM 0 H ILE A 44 4.928 -4.398 -4.013 1.00 0.00 H new ATOM 0 HA ILE A 44 4.538 -2.305 -2.181 1.00 0.00 H new ATOM 0 HB ILE A 44 7.067 -3.623 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.353 -4.287 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.251 -5.138 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.997 -2.898 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.542 -1.520 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.502 -1.992 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.758 -6.325 -0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.667 -5.732 -2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.771 -4.868 -0.549 1.00 0.00 H new ATOM 653 N ASP A 45 6.214 -1.465 -4.878 1.00 0.00 N ATOM 654 CA ASP A 45 6.642 -0.327 -5.674 1.00 0.00 C ATOM 655 C ASP A 45 5.504 0.693 -5.751 1.00 0.00 C ATOM 656 O ASP A 45 5.738 1.897 -5.670 1.00 0.00 O ATOM 657 CB ASP A 45 6.993 -0.753 -7.100 1.00 0.00 C ATOM 658 CG ASP A 45 8.164 0.003 -7.731 1.00 0.00 C ATOM 659 OD1 ASP A 45 8.656 0.942 -7.069 1.00 0.00 O ATOM 660 OD2 ASP A 45 8.541 -0.375 -8.861 1.00 0.00 O ATOM 0 H ASP A 45 6.432 -2.375 -5.284 1.00 0.00 H new ATOM 0 HA ASP A 45 7.524 0.104 -5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.226 -1.818 -7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.113 -0.621 -7.730 1.00 0.00 H new ATOM 665 N TRP A 46 4.295 0.172 -5.908 1.00 0.00 N ATOM 666 CA TRP A 46 3.120 1.022 -5.998 1.00 0.00 C ATOM 667 C TRP A 46 2.916 1.691 -4.637 1.00 0.00 C ATOM 668 O TRP A 46 2.611 2.880 -4.565 1.00 0.00 O ATOM 669 CB TRP A 46 1.900 0.224 -6.461 1.00 0.00 C ATOM 670 CG TRP A 46 0.601 1.031 -6.486 1.00 0.00 C ATOM 671 CD1 TRP A 46 0.094 1.746 -7.500 1.00 0.00 C ATOM 672 CD2 TRP A 46 -0.341 1.178 -5.403 1.00 0.00 C ATOM 673 NE1 TRP A 46 -1.102 2.341 -7.151 1.00 0.00 N ATOM 674 CE2 TRP A 46 -1.375 1.984 -5.835 1.00 0.00 C ATOM 675 CE3 TRP A 46 -0.321 0.647 -4.101 1.00 0.00 C ATOM 676 CZ2 TRP A 46 -2.465 2.332 -5.028 1.00 0.00 C ATOM 677 CZ3 TRP A 46 -1.417 1.004 -3.307 1.00 0.00 C ATOM 678 CH2 TRP A 46 -2.466 1.815 -3.727 1.00 0.00 C ATOM 0 H TRP A 46 4.104 -0.828 -5.975 1.00 0.00 H new ATOM 0 HA TRP A 46 3.262 1.798 -6.750 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.092 -0.167 -7.460 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.769 -0.635 -5.803 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.562 1.844 -8.468 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.679 2.933 -7.748 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.477 0.014 -3.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.262 2.965 -5.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.451 0.623 -2.297 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.278 2.045 -3.053 1.00 0.00 H new ATOM 689 N LEU A 47 3.091 0.897 -3.591 1.00 0.00 N ATOM 690 CA LEU A 47 2.929 1.397 -2.236 1.00 0.00 C ATOM 691 C LEU A 47 3.800 2.641 -2.049 1.00 0.00 C ATOM 692 O LEU A 47 3.326 3.668 -1.565 1.00 0.00 O ATOM 693 CB LEU A 47 3.212 0.290 -1.219 1.00 0.00 C ATOM 694 CG LEU A 47 2.316 -0.947 -1.307 1.00 0.00 C ATOM 695 CD1 LEU A 47 2.837 -2.068 -0.405 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.860 -0.592 -0.997 1.00 0.00 C ATOM 0 H LEU A 47 3.343 -0.089 -3.654 1.00 0.00 H new ATOM 0 HA LEU A 47 1.897 1.701 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.248 -0.027 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.119 0.711 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 47 2.346 -1.318 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.182 -2.935 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.845 -2.345 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.856 -1.724 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.244 -1.489 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.792 -0.182 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.505 0.148 -1.714 1.00 0.00 H new ATOM 708 N VAL A 48 5.058 2.508 -2.442 1.00 0.00 N ATOM 709 CA VAL A 48 6.000 3.609 -2.324 1.00 0.00 C ATOM 710 C VAL A 48 5.635 4.697 -3.335 1.00 0.00 C ATOM 711 O VAL A 48 5.555 5.873 -2.985 1.00 0.00 O ATOM 712 CB VAL A 48 7.431 3.093 -2.490 1.00 0.00 C ATOM 713 CG1 VAL A 48 8.414 4.253 -2.664 1.00 0.00 C ATOM 714 CG2 VAL A 48 7.834 2.205 -1.312 1.00 0.00 C ATOM 0 H VAL A 48 5.447 1.655 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 48 5.943 4.056 -1.331 1.00 0.00 H new ATOM 0 HB VAL A 48 7.466 2.485 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.424 3.860 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.145 4.828 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.374 4.898 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.855 1.852 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.775 2.779 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.160 1.351 -1.253 1.00 0.00 H new ATOM 724 N SER A 49 5.424 4.266 -4.570 1.00 0.00 N ATOM 725 CA SER A 49 5.069 5.189 -5.635 1.00 0.00 C ATOM 726 C SER A 49 4.049 6.209 -5.125 1.00 0.00 C ATOM 727 O SER A 49 4.231 7.413 -5.297 1.00 0.00 O ATOM 728 CB SER A 49 4.512 4.442 -6.848 1.00 0.00 C ATOM 729 OG SER A 49 5.301 4.656 -8.015 1.00 0.00 O ATOM 0 H SER A 49 5.492 3.290 -4.857 1.00 0.00 H new ATOM 0 HA SER A 49 5.972 5.713 -5.948 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.471 3.375 -6.629 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.489 4.769 -7.037 1.00 0.00 H new ATOM 0 HG SER A 49 4.914 4.161 -8.767 1.00 0.00 H new ATOM 735 N ASN A 50 2.998 5.690 -4.507 1.00 0.00 N ATOM 736 CA ASN A 50 1.950 6.540 -3.971 1.00 0.00 C ATOM 737 C ASN A 50 2.417 7.146 -2.646 1.00 0.00 C ATOM 738 O ASN A 50 1.949 8.211 -2.247 1.00 0.00 O ATOM 739 CB ASN A 50 0.675 5.739 -3.700 1.00 0.00 C ATOM 740 CG ASN A 50 -0.214 5.685 -4.944 1.00 0.00 C ATOM 741 OD1 ASN A 50 0.039 4.655 -5.746 1.00 0.00 O flip ATOM 742 ND2 ASN A 50 -1.073 6.524 -5.162 1.00 0.00 N flip ATOM 0 H ASN A 50 2.850 4.691 -4.366 1.00 0.00 H new ATOM 0 HA ASN A 50 1.739 7.317 -4.706 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.936 4.727 -3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.125 6.192 -2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -1.216 7.291 -4.504 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.648 6.459 -6.002 1.00 0.00 H new ATOM 749 N LYS A 51 3.336 6.442 -2.002 1.00 0.00 N ATOM 750 CA LYS A 51 3.872 6.897 -0.730 1.00 0.00 C ATOM 751 C LYS A 51 2.965 6.413 0.403 1.00 0.00 C ATOM 752 O LYS A 51 2.568 7.198 1.263 1.00 0.00 O ATOM 753 CB LYS A 51 4.079 8.413 -0.748 1.00 0.00 C ATOM 754 CG LYS A 51 4.732 8.861 -2.057 1.00 0.00 C ATOM 755 CD LYS A 51 6.222 9.148 -1.857 1.00 0.00 C ATOM 756 CE LYS A 51 6.978 9.069 -3.184 1.00 0.00 C ATOM 757 NZ LYS A 51 8.333 8.511 -2.976 1.00 0.00 N ATOM 0 H LYS A 51 3.723 5.560 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 51 4.858 6.466 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.120 8.916 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.704 8.708 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.606 8.087 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.233 9.756 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.350 10.138 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.643 8.431 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.426 8.446 -3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.051 10.062 -3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.833 8.464 -3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.863 9.121 -2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.257 7.555 -2.573 1.00 0.00 H new ATOM 771 N LEU A 52 2.665 5.123 0.368 1.00 0.00 N ATOM 772 CA LEU A 52 1.812 4.526 1.382 1.00 0.00 C ATOM 773 C LEU A 52 2.643 4.234 2.633 1.00 0.00 C ATOM 774 O LEU A 52 2.117 4.234 3.746 1.00 0.00 O ATOM 775 CB LEU A 52 1.093 3.298 0.821 1.00 0.00 C ATOM 776 CG LEU A 52 -0.285 3.551 0.205 1.00 0.00 C ATOM 777 CD1 LEU A 52 -0.903 2.248 -0.308 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.204 4.272 1.193 1.00 0.00 C ATOM 0 H LEU A 52 2.997 4.475 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 52 1.025 5.221 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.730 2.843 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.982 2.568 1.623 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.159 4.209 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.882 2.455 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.255 1.812 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.013 1.547 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.176 4.439 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.328 3.661 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.763 5.230 1.467 1.00 0.00 H new ATOM 790 N VAL A 53 3.926 3.992 2.410 1.00 0.00 N ATOM 791 CA VAL A 53 4.835 3.699 3.505 1.00 0.00 C ATOM 792 C VAL A 53 6.016 4.671 3.456 1.00 0.00 C ATOM 793 O VAL A 53 6.016 5.613 2.666 1.00 0.00 O ATOM 794 CB VAL A 53 5.265 2.232 3.451 1.00 0.00 C ATOM 795 CG1 VAL A 53 4.184 1.322 4.037 1.00 0.00 C ATOM 796 CG2 VAL A 53 5.615 1.816 2.021 1.00 0.00 C ATOM 0 H VAL A 53 4.358 3.993 1.486 1.00 0.00 H new ATOM 0 HA VAL A 53 4.336 3.842 4.464 1.00 0.00 H new ATOM 0 HB VAL A 53 6.162 2.123 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.515 0.285 3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.003 1.595 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.263 1.437 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.917 0.769 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.743 1.948 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.434 2.434 1.652 1.00 0.00 H new ATOM 806 N ARG A 54 6.993 4.407 4.311 1.00 0.00 N ATOM 807 CA ARG A 54 8.178 5.247 4.375 1.00 0.00 C ATOM 808 C ARG A 54 9.312 4.626 3.557 1.00 0.00 C ATOM 809 O ARG A 54 10.214 5.331 3.106 1.00 0.00 O ATOM 810 CB ARG A 54 8.643 5.433 5.821 1.00 0.00 C ATOM 811 CG ARG A 54 7.802 6.493 6.535 1.00 0.00 C ATOM 812 CD ARG A 54 8.558 7.079 7.729 1.00 0.00 C ATOM 813 NE ARG A 54 7.602 7.485 8.784 1.00 0.00 N ATOM 814 CZ ARG A 54 7.900 8.325 9.784 1.00 0.00 C ATOM 815 NH1 ARG A 54 9.128 8.853 9.873 1.00 0.00 N ATOM 816 NH2 ARG A 54 6.969 8.637 10.696 1.00 0.00 N ATOM 0 H ARG A 54 6.989 3.624 4.965 1.00 0.00 H new ATOM 0 HA ARG A 54 7.918 6.221 3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.570 4.486 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.693 5.727 5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.544 7.289 5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.865 6.051 6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.257 6.342 8.124 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.147 7.939 7.410 1.00 0.00 H new ATOM 0 HE ARG A 54 6.658 7.101 8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.837 8.615 9.179 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.354 9.493 10.635 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.034 8.235 10.629 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.195 9.277 11.458 1.00 0.00 H new ATOM 830 N ASN A 55 9.230 3.315 3.391 1.00 0.00 N ATOM 831 CA ASN A 55 10.239 2.592 2.635 1.00 0.00 C ATOM 832 C ASN A 55 9.623 1.313 2.064 1.00 0.00 C ATOM 833 O ASN A 55 8.469 0.996 2.346 1.00 0.00 O ATOM 834 CB ASN A 55 11.415 2.192 3.528 1.00 0.00 C ATOM 835 CG ASN A 55 10.925 1.670 4.880 1.00 0.00 C ATOM 836 OD1 ASN A 55 10.921 0.480 5.151 1.00 0.00 O ATOM 837 ND2 ASN A 55 10.512 2.623 5.711 1.00 0.00 N ATOM 0 H ASN A 55 8.481 2.734 3.767 1.00 0.00 H new ATOM 0 HA ASN A 55 10.596 3.245 1.839 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.009 1.424 3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.068 3.051 3.681 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.165 2.376 6.638 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.542 3.601 5.421 1.00 0.00 H new ATOM 844 N ARG A 56 10.422 0.613 1.271 1.00 0.00 N ATOM 845 CA ARG A 56 9.969 -0.624 0.658 1.00 0.00 C ATOM 846 C ARG A 56 9.676 -1.673 1.733 1.00 0.00 C ATOM 847 O ARG A 56 8.695 -2.408 1.637 1.00 0.00 O ATOM 848 CB ARG A 56 11.019 -1.175 -0.310 1.00 0.00 C ATOM 849 CG ARG A 56 10.355 -1.841 -1.517 1.00 0.00 C ATOM 850 CD ARG A 56 11.269 -1.789 -2.743 1.00 0.00 C ATOM 851 NE ARG A 56 10.562 -2.331 -3.925 1.00 0.00 N ATOM 852 CZ ARG A 56 10.533 -3.631 -4.251 1.00 0.00 C ATOM 853 NH1 ARG A 56 11.171 -4.528 -3.487 1.00 0.00 N ATOM 854 NH2 ARG A 56 9.867 -4.033 -5.342 1.00 0.00 N ATOM 0 H ARG A 56 11.379 0.879 1.039 1.00 0.00 H new ATOM 0 HA ARG A 56 9.058 -0.405 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.668 -0.367 -0.647 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.652 -1.897 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.117 -2.878 -1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.412 -1.341 -1.740 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.578 -0.761 -2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.176 -2.365 -2.556 1.00 0.00 H new ATOM 0 HE ARG A 56 10.066 -1.675 -4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.679 -4.222 -2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.149 -5.517 -3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.382 -3.350 -5.924 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.845 -5.022 -5.590 1.00 0.00 H new ATOM 868 N GLN A 57 10.546 -1.710 2.731 1.00 0.00 N ATOM 869 CA GLN A 57 10.393 -2.657 3.823 1.00 0.00 C ATOM 870 C GLN A 57 8.963 -2.614 4.366 1.00 0.00 C ATOM 871 O GLN A 57 8.226 -3.593 4.260 1.00 0.00 O ATOM 872 CB GLN A 57 11.410 -2.383 4.933 1.00 0.00 C ATOM 873 CG GLN A 57 11.935 -3.690 5.530 1.00 0.00 C ATOM 874 CD GLN A 57 10.898 -4.323 6.460 1.00 0.00 C ATOM 875 OE1 GLN A 57 10.808 -5.646 6.350 1.00 0.00 O flip ATOM 876 NE2 GLN A 57 10.224 -3.655 7.228 1.00 0.00 N flip ATOM 0 H GLN A 57 11.360 -1.100 2.807 1.00 0.00 H new ATOM 0 HA GLN A 57 10.585 -3.659 3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.241 -1.801 4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.947 -1.782 5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.183 -4.386 4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.855 -3.498 6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.343 -2.643 7.263 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.542 -4.109 7.835 1.00 0.00 H new ATOM 885 N GLU A 58 8.615 -1.470 4.936 1.00 0.00 N ATOM 886 CA GLU A 58 7.286 -1.286 5.496 1.00 0.00 C ATOM 887 C GLU A 58 6.233 -1.916 4.581 1.00 0.00 C ATOM 888 O GLU A 58 5.360 -2.647 5.045 1.00 0.00 O ATOM 889 CB GLU A 58 6.991 0.196 5.733 1.00 0.00 C ATOM 890 CG GLU A 58 6.775 0.480 7.221 1.00 0.00 C ATOM 891 CD GLU A 58 6.255 1.903 7.437 1.00 0.00 C ATOM 892 OE1 GLU A 58 5.015 2.061 7.433 1.00 0.00 O ATOM 893 OE2 GLU A 58 7.110 2.800 7.602 1.00 0.00 O ATOM 0 H GLU A 58 9.230 -0.661 5.022 1.00 0.00 H new ATOM 0 HA GLU A 58 7.247 -1.789 6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.819 0.800 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.104 0.489 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.065 -0.237 7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.713 0.346 7.761 1.00 0.00 H new ATOM 900 N GLY A 59 6.351 -1.608 3.298 1.00 0.00 N ATOM 901 CA GLY A 59 5.420 -2.135 2.314 1.00 0.00 C ATOM 902 C GLY A 59 5.387 -3.664 2.353 1.00 0.00 C ATOM 903 O GLY A 59 4.323 -4.269 2.234 1.00 0.00 O ATOM 0 H GLY A 59 7.076 -1.001 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.422 -1.741 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.709 -1.799 1.318 1.00 0.00 H new ATOM 907 N LEU A 60 6.566 -4.245 2.520 1.00 0.00 N ATOM 908 CA LEU A 60 6.686 -5.692 2.576 1.00 0.00 C ATOM 909 C LEU A 60 5.820 -6.227 3.719 1.00 0.00 C ATOM 910 O LEU A 60 5.066 -7.182 3.537 1.00 0.00 O ATOM 911 CB LEU A 60 8.156 -6.105 2.674 1.00 0.00 C ATOM 912 CG LEU A 60 8.454 -7.586 2.435 1.00 0.00 C ATOM 913 CD1 LEU A 60 8.676 -8.321 3.759 1.00 0.00 C ATOM 914 CD2 LEU A 60 7.354 -8.238 1.595 1.00 0.00 C ATOM 0 H LEU A 60 7.447 -3.740 2.618 1.00 0.00 H new ATOM 0 HA LEU A 60 6.314 -6.141 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.726 -5.519 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.523 -5.836 3.665 1.00 0.00 H new ATOM 0 HG LEU A 60 9.381 -7.661 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.886 -9.372 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.520 -7.875 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.780 -8.240 4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.590 -9.291 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.400 -8.153 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.287 -7.735 0.630 1.00 0.00 H new ATOM 926 N MET A 61 5.957 -5.588 4.872 1.00 0.00 N ATOM 927 CA MET A 61 5.197 -5.988 6.043 1.00 0.00 C ATOM 928 C MET A 61 3.705 -5.713 5.849 1.00 0.00 C ATOM 929 O MET A 61 2.876 -6.601 6.043 1.00 0.00 O ATOM 930 CB MET A 61 5.702 -5.220 7.267 1.00 0.00 C ATOM 931 CG MET A 61 7.231 -5.244 7.336 1.00 0.00 C ATOM 932 SD MET A 61 7.774 -4.805 8.978 1.00 0.00 S ATOM 933 CE MET A 61 6.979 -3.217 9.154 1.00 0.00 C ATOM 0 H MET A 61 6.583 -4.796 5.020 1.00 0.00 H new ATOM 0 HA MET A 61 5.334 -7.059 6.192 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.352 -4.189 7.224 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.286 -5.660 8.174 1.00 0.00 H new ATOM 0 HG2 MET A 61 7.600 -6.236 7.075 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.647 -4.548 6.608 1.00 0.00 H new ATOM 0 HE1 MET A 61 7.627 -2.546 9.719 1.00 0.00 H new ATOM 0 HE2 MET A 61 6.790 -2.793 8.168 1.00 0.00 H new ATOM 0 HE3 MET A 61 6.034 -3.340 9.683 1.00 0.00 H new ATOM 943 N ILE A 62 3.407 -4.479 5.468 1.00 0.00 N ATOM 944 CA ILE A 62 2.029 -4.076 5.245 1.00 0.00 C ATOM 945 C ILE A 62 1.376 -5.038 4.251 1.00 0.00 C ATOM 946 O ILE A 62 0.282 -5.544 4.498 1.00 0.00 O ATOM 947 CB ILE A 62 1.963 -2.609 4.816 1.00 0.00 C ATOM 948 CG1 ILE A 62 2.612 -1.702 5.863 1.00 0.00 C ATOM 949 CG2 ILE A 62 0.523 -2.192 4.510 1.00 0.00 C ATOM 950 CD1 ILE A 62 1.671 -1.468 7.046 1.00 0.00 C ATOM 0 H ILE A 62 4.097 -3.745 5.308 1.00 0.00 H new ATOM 0 HA ILE A 62 1.458 -4.139 6.172 1.00 0.00 H new ATOM 0 HB ILE A 62 2.534 -2.496 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.539 -2.153 6.215 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.875 -0.747 5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.504 -1.145 4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.129 -2.810 3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.091 -2.323 5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.157 -0.820 7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.755 -0.994 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.429 -2.423 7.513 1.00 0.00 H new ATOM 962 N SER A 63 2.073 -5.261 3.147 1.00 0.00 N ATOM 963 CA SER A 63 1.574 -6.153 2.114 1.00 0.00 C ATOM 964 C SER A 63 0.992 -7.416 2.750 1.00 0.00 C ATOM 965 O SER A 63 -0.131 -7.811 2.439 1.00 0.00 O ATOM 966 CB SER A 63 2.680 -6.520 1.122 1.00 0.00 C ATOM 967 OG SER A 63 2.825 -5.541 0.097 1.00 0.00 O ATOM 0 H SER A 63 2.980 -4.839 2.945 1.00 0.00 H new ATOM 0 HA SER A 63 0.788 -5.635 1.565 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.624 -6.628 1.656 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.456 -7.487 0.671 1.00 0.00 H new ATOM 0 HG SER A 63 3.074 -5.981 -0.743 1.00 0.00 H new ATOM 973 N ALA A 64 1.781 -8.016 3.630 1.00 0.00 N ATOM 974 CA ALA A 64 1.357 -9.226 4.313 1.00 0.00 C ATOM 975 C ALA A 64 -0.036 -9.010 4.908 1.00 0.00 C ATOM 976 O ALA A 64 -0.909 -9.867 4.782 1.00 0.00 O ATOM 977 CB ALA A 64 2.392 -9.603 5.374 1.00 0.00 C ATOM 0 H ALA A 64 2.712 -7.686 3.885 1.00 0.00 H new ATOM 0 HA ALA A 64 1.290 -10.058 3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.074 -10.511 5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.357 -9.775 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.484 -8.792 6.096 1.00 0.00 H new ATOM 983 N SER A 65 -0.201 -7.859 5.543 1.00 0.00 N ATOM 984 CA SER A 65 -1.473 -7.519 6.158 1.00 0.00 C ATOM 985 C SER A 65 -2.602 -7.654 5.134 1.00 0.00 C ATOM 986 O SER A 65 -3.699 -8.097 5.469 1.00 0.00 O ATOM 987 CB SER A 65 -1.445 -6.102 6.734 1.00 0.00 C ATOM 988 OG SER A 65 -2.203 -5.999 7.936 1.00 0.00 O ATOM 0 H SER A 65 0.525 -7.150 5.645 1.00 0.00 H new ATOM 0 HA SER A 65 -1.652 -8.212 6.980 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.413 -5.811 6.930 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.839 -5.403 5.996 1.00 0.00 H new ATOM 0 HG SER A 65 -2.159 -5.080 8.273 1.00 0.00 H new ATOM 994 N LEU A 66 -2.293 -7.263 3.906 1.00 0.00 N ATOM 995 CA LEU A 66 -3.268 -7.335 2.831 1.00 0.00 C ATOM 996 C LEU A 66 -3.548 -8.802 2.499 1.00 0.00 C ATOM 997 O LEU A 66 -4.692 -9.250 2.566 1.00 0.00 O ATOM 998 CB LEU A 66 -2.802 -6.511 1.629 1.00 0.00 C ATOM 999 CG LEU A 66 -3.071 -5.006 1.702 1.00 0.00 C ATOM 1000 CD1 LEU A 66 -2.223 -4.247 0.680 1.00 0.00 C ATOM 1001 CD2 LEU A 66 -4.564 -4.708 1.544 1.00 0.00 C ATOM 0 H LEU A 66 -1.382 -6.896 3.632 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.214 -6.893 3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.730 -6.663 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.286 -6.904 0.735 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.775 -4.653 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.434 -3.180 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.166 -4.423 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.464 -4.596 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.728 -3.632 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.909 -5.078 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.120 -5.201 2.341 1.00 0.00 H new ATOM 1013 N LEU A 67 -2.484 -9.510 2.149 1.00 0.00 N ATOM 1014 CA LEU A 67 -2.601 -10.917 1.807 1.00 0.00 C ATOM 1015 C LEU A 67 -3.386 -11.641 2.904 1.00 0.00 C ATOM 1016 O LEU A 67 -4.395 -12.287 2.626 1.00 0.00 O ATOM 1017 CB LEU A 67 -1.221 -11.520 1.539 1.00 0.00 C ATOM 1018 CG LEU A 67 -1.176 -13.038 1.354 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -1.563 -13.428 -0.074 1.00 0.00 C ATOM 1020 CD2 LEU A 67 0.190 -13.599 1.751 1.00 0.00 C ATOM 0 H LEU A 67 -1.537 -9.135 2.095 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.162 -11.038 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.810 -11.053 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.564 -11.255 2.367 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.913 -13.485 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.523 -14.512 -0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.574 -13.080 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.868 -12.970 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.194 -14.680 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.963 -13.149 1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.387 -13.369 2.798 1.00 0.00 H new ATOM 1032 N SER A 68 -2.892 -11.508 4.126 1.00 0.00 N ATOM 1033 CA SER A 68 -3.534 -12.141 5.265 1.00 0.00 C ATOM 1034 C SER A 68 -5.054 -12.018 5.145 1.00 0.00 C ATOM 1035 O SER A 68 -5.752 -13.020 5.001 1.00 0.00 O ATOM 1036 CB SER A 68 -3.054 -11.524 6.581 1.00 0.00 C ATOM 1037 OG SER A 68 -2.567 -12.511 7.486 1.00 0.00 O ATOM 0 H SER A 68 -2.055 -10.971 4.352 1.00 0.00 H new ATOM 0 HA SER A 68 -3.261 -13.196 5.268 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.266 -10.800 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.875 -10.979 7.047 1.00 0.00 H new ATOM 0 HG SER A 68 -2.269 -12.078 8.313 1.00 0.00 H new ATOM 1043 N GLU A 69 -5.522 -10.780 5.208 1.00 0.00 N ATOM 1044 CA GLU A 69 -6.947 -10.513 5.107 1.00 0.00 C ATOM 1045 C GLU A 69 -7.559 -11.320 3.960 1.00 0.00 C ATOM 1046 O GLU A 69 -8.711 -11.743 4.040 1.00 0.00 O ATOM 1047 CB GLU A 69 -7.213 -9.017 4.928 1.00 0.00 C ATOM 1048 CG GLU A 69 -7.020 -8.263 6.245 1.00 0.00 C ATOM 1049 CD GLU A 69 -8.353 -8.083 6.974 1.00 0.00 C ATOM 1050 OE1 GLU A 69 -9.256 -7.473 6.362 1.00 0.00 O ATOM 1051 OE2 GLU A 69 -8.438 -8.560 8.127 1.00 0.00 O ATOM 0 H GLU A 69 -4.940 -9.951 5.328 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.422 -10.824 6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.540 -8.613 4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.229 -8.866 4.564 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.324 -8.809 6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.575 -7.288 6.048 1.00 0.00 H new ATOM 1058 N GLY A 70 -6.760 -11.509 2.920 1.00 0.00 N ATOM 1059 CA GLY A 70 -7.209 -12.258 1.759 1.00 0.00 C ATOM 1060 C GLY A 70 -7.458 -11.328 0.570 1.00 0.00 C ATOM 1061 O GLY A 70 -8.319 -11.600 -0.265 1.00 0.00 O ATOM 0 H GLY A 70 -5.805 -11.157 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.461 -13.004 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.125 -12.797 2.001 1.00 0.00 H new ATOM 1065 N TYR A 71 -6.688 -10.251 0.531 1.00 0.00 N ATOM 1066 CA TYR A 71 -6.814 -9.279 -0.543 1.00 0.00 C ATOM 1067 C TYR A 71 -5.970 -9.686 -1.752 1.00 0.00 C ATOM 1068 O TYR A 71 -6.244 -9.263 -2.875 1.00 0.00 O ATOM 1069 CB TYR A 71 -6.279 -7.960 0.018 1.00 0.00 C ATOM 1070 CG TYR A 71 -7.290 -7.190 0.870 1.00 0.00 C ATOM 1071 CD1 TYR A 71 -8.495 -6.797 0.324 1.00 0.00 C ATOM 1072 CD2 TYR A 71 -6.997 -6.889 2.185 1.00 0.00 C ATOM 1073 CE1 TYR A 71 -9.447 -6.073 1.127 1.00 0.00 C ATOM 1074 CE2 TYR A 71 -7.948 -6.165 2.987 1.00 0.00 C ATOM 1075 CZ TYR A 71 -9.126 -5.792 2.418 1.00 0.00 C ATOM 1076 OH TYR A 71 -10.025 -5.108 3.176 1.00 0.00 O ATOM 0 H TYR A 71 -5.974 -10.029 1.225 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.850 -9.203 -0.873 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.394 -8.166 0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.961 -7.327 -0.811 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.724 -7.032 -0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.054 -7.197 2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.394 -5.760 0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.731 -5.923 4.017 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.662 -4.979 4.077 1.00 0.00 H new ATOM 1086 N LEU A 72 -4.961 -10.501 -1.482 1.00 0.00 N ATOM 1087 CA LEU A 72 -4.075 -10.969 -2.535 1.00 0.00 C ATOM 1088 C LEU A 72 -4.151 -12.495 -2.618 1.00 0.00 C ATOM 1089 O LEU A 72 -3.855 -13.189 -1.647 1.00 0.00 O ATOM 1090 CB LEU A 72 -2.658 -10.435 -2.319 1.00 0.00 C ATOM 1091 CG LEU A 72 -2.483 -8.921 -2.457 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -2.969 -8.436 -3.825 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.174 -8.182 -1.309 1.00 0.00 C ATOM 0 H LEU A 72 -4.737 -10.849 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.393 -10.580 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.328 -10.730 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.994 -10.924 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.419 -8.693 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.834 -7.357 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.395 -8.927 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.025 -8.678 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.034 -7.108 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.239 -8.413 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.741 -8.498 -0.360 1.00 0.00 H new ATOM 1105 N GLN A 73 -4.549 -12.972 -3.788 1.00 0.00 N ATOM 1106 CA GLN A 73 -4.668 -14.403 -4.011 1.00 0.00 C ATOM 1107 C GLN A 73 -3.420 -14.935 -4.719 1.00 0.00 C ATOM 1108 O GLN A 73 -2.988 -14.377 -5.726 1.00 0.00 O ATOM 1109 CB GLN A 73 -5.932 -14.731 -4.808 1.00 0.00 C ATOM 1110 CG GLN A 73 -7.181 -14.206 -4.096 1.00 0.00 C ATOM 1111 CD GLN A 73 -7.850 -15.312 -3.277 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -7.926 -16.460 -3.681 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -8.330 -14.902 -2.106 1.00 0.00 N ATOM 0 H GLN A 73 -4.793 -12.393 -4.592 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.751 -14.896 -3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.864 -14.290 -5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.012 -15.810 -4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.910 -13.377 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.886 -13.815 -4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.233 -13.925 -1.829 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.795 -15.564 -1.486 1.00 0.00 H new ATOM 1122 N PRO A 74 -2.862 -16.037 -4.150 1.00 0.00 N ATOM 1123 CA PRO A 74 -1.673 -16.651 -4.715 1.00 0.00 C ATOM 1124 C PRO A 74 -2.011 -17.436 -5.984 1.00 0.00 C ATOM 1125 O PRO A 74 -2.900 -18.286 -5.974 1.00 0.00 O ATOM 1126 CB PRO A 74 -1.117 -17.528 -3.605 1.00 0.00 C ATOM 1127 CG PRO A 74 -2.261 -17.735 -2.625 1.00 0.00 C ATOM 1128 CD PRO A 74 -3.347 -16.725 -2.957 1.00 0.00 C ATOM 0 HA PRO A 74 -0.932 -15.917 -5.034 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.764 -18.481 -4.000 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.267 -17.050 -3.118 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.649 -18.751 -2.700 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.915 -17.601 -1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.301 -17.217 -3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.504 -16.028 -2.134 1.00 0.00 H new ATOM 1136 N ALA A 75 -1.285 -17.122 -7.047 1.00 0.00 N ATOM 1137 CA ALA A 75 -1.497 -17.788 -8.321 1.00 0.00 C ATOM 1138 C ALA A 75 -0.217 -18.520 -8.728 1.00 0.00 C ATOM 1139 O ALA A 75 0.731 -17.900 -9.208 1.00 0.00 O ATOM 1140 CB ALA A 75 -1.939 -16.761 -9.366 1.00 0.00 C ATOM 0 H ALA A 75 -0.549 -16.415 -7.052 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.290 -18.532 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.098 -17.260 -10.322 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.868 -16.290 -9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.166 -16.000 -9.478 1.00 0.00 H new ATOM 1146 N GLY A 76 -0.230 -19.828 -8.523 1.00 0.00 N ATOM 1147 CA GLY A 76 0.918 -20.651 -8.863 1.00 0.00 C ATOM 1148 C GLY A 76 1.251 -21.623 -7.728 1.00 0.00 C ATOM 1149 O GLY A 76 0.409 -22.422 -7.323 1.00 0.00 O ATOM 0 H GLY A 76 -1.018 -20.339 -8.125 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.712 -21.209 -9.776 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.779 -20.014 -9.066 1.00 0.00 H new ATOM 1153 N ASP A 77 2.482 -21.522 -7.249 1.00 0.00 N ATOM 1154 CA ASP A 77 2.938 -22.381 -6.169 1.00 0.00 C ATOM 1155 C ASP A 77 3.769 -21.558 -5.183 1.00 0.00 C ATOM 1156 O ASP A 77 3.528 -21.599 -3.977 1.00 0.00 O ATOM 1157 CB ASP A 77 3.820 -23.513 -6.701 1.00 0.00 C ATOM 1158 CG ASP A 77 3.407 -24.917 -6.256 1.00 0.00 C ATOM 1159 OD1 ASP A 77 2.199 -25.097 -5.990 1.00 0.00 O ATOM 1160 OD2 ASP A 77 4.310 -25.780 -6.192 1.00 0.00 O ATOM 0 H ASP A 77 3.178 -20.858 -7.589 1.00 0.00 H new ATOM 0 HA ASP A 77 2.060 -22.805 -5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.814 -23.477 -7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.847 -23.334 -6.382 1.00 0.00 H new ATOM 1165 N LEU A 78 4.729 -20.829 -5.732 1.00 0.00 N ATOM 1166 CA LEU A 78 5.597 -19.997 -4.916 1.00 0.00 C ATOM 1167 C LEU A 78 4.745 -19.187 -3.936 1.00 0.00 C ATOM 1168 O LEU A 78 4.745 -19.460 -2.736 1.00 0.00 O ATOM 1169 CB LEU A 78 6.501 -19.136 -5.801 1.00 0.00 C ATOM 1170 CG LEU A 78 7.515 -18.255 -5.068 1.00 0.00 C ATOM 1171 CD1 LEU A 78 8.554 -17.691 -6.038 1.00 0.00 C ATOM 1172 CD2 LEU A 78 6.811 -17.151 -4.277 1.00 0.00 C ATOM 0 H LEU A 78 4.925 -20.797 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 78 6.268 -20.616 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.044 -19.793 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.870 -18.495 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 78 8.050 -18.876 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.262 -17.069 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.087 -18.512 -6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.054 -17.090 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.554 -16.539 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.234 -16.526 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.142 -17.600 -3.542 1.00 0.00 H new ATOM 1184 N SER A 79 4.041 -18.207 -4.483 1.00 0.00 N ATOM 1185 CA SER A 79 3.187 -17.356 -3.671 1.00 0.00 C ATOM 1186 C SER A 79 2.301 -18.215 -2.766 1.00 0.00 C ATOM 1187 O SER A 79 1.849 -17.756 -1.718 1.00 0.00 O ATOM 1188 CB SER A 79 2.325 -16.445 -4.548 1.00 0.00 C ATOM 1189 OG SER A 79 1.705 -17.160 -5.613 1.00 0.00 O ATOM 0 H SER A 79 4.044 -17.983 -5.478 1.00 0.00 H new ATOM 0 HA SER A 79 3.823 -16.724 -3.052 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.558 -15.971 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.943 -15.647 -4.959 1.00 0.00 H new ATOM 0 HG SER A 79 1.283 -16.527 -6.230 1.00 0.00 H new ATOM 1195 N LYS A 80 2.081 -19.446 -3.203 1.00 0.00 N ATOM 1196 CA LYS A 80 1.257 -20.373 -2.445 1.00 0.00 C ATOM 1197 C LYS A 80 2.034 -20.851 -1.217 1.00 0.00 C ATOM 1198 O LYS A 80 1.527 -20.796 -0.097 1.00 0.00 O ATOM 1199 CB LYS A 80 0.765 -21.510 -3.343 1.00 0.00 C ATOM 1200 CG LYS A 80 -0.759 -21.484 -3.474 1.00 0.00 C ATOM 1201 CD LYS A 80 -1.225 -22.374 -4.628 1.00 0.00 C ATOM 1202 CE LYS A 80 -2.310 -21.679 -5.453 1.00 0.00 C ATOM 1203 NZ LYS A 80 -3.648 -21.939 -4.876 1.00 0.00 N ATOM 0 H LYS A 80 2.459 -19.823 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 80 0.359 -19.875 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.220 -21.422 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.082 -22.468 -2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.214 -21.822 -2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.096 -20.461 -3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.377 -22.619 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.609 -23.315 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.122 -20.606 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.276 -22.035 -6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.372 -21.460 -5.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.831 -22.963 -4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.682 -21.577 -3.901 1.00 0.00 H new ATOM 1217 N ASN A 81 3.251 -21.310 -1.468 1.00 0.00 N ATOM 1218 CA ASN A 81 4.103 -21.798 -0.396 1.00 0.00 C ATOM 1219 C ASN A 81 4.291 -20.691 0.643 1.00 0.00 C ATOM 1220 O ASN A 81 4.251 -20.951 1.845 1.00 0.00 O ATOM 1221 CB ASN A 81 5.484 -22.189 -0.926 1.00 0.00 C ATOM 1222 CG ASN A 81 5.760 -23.676 -0.690 1.00 0.00 C ATOM 1223 OD1 ASN A 81 5.077 -24.349 0.064 1.00 0.00 O ATOM 1224 ND2 ASN A 81 6.797 -24.148 -1.377 1.00 0.00 N ATOM 0 H ASN A 81 3.668 -21.354 -2.398 1.00 0.00 H new ATOM 0 HA ASN A 81 3.625 -22.673 0.044 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.544 -21.969 -1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.250 -21.590 -0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.063 -25.129 -1.290 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.326 -23.529 -1.991 1.00 0.00 H new ATOM 1231 N ALA A 82 4.493 -19.481 0.143 1.00 0.00 N ATOM 1232 CA ALA A 82 4.687 -18.334 1.014 1.00 0.00 C ATOM 1233 C ALA A 82 3.538 -18.263 2.021 1.00 0.00 C ATOM 1234 O ALA A 82 3.762 -18.305 3.229 1.00 0.00 O ATOM 1235 CB ALA A 82 4.801 -17.065 0.168 1.00 0.00 C ATOM 0 H ALA A 82 4.527 -19.270 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 82 5.614 -18.433 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.947 -16.204 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.650 -17.154 -0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.888 -16.931 -0.411 1.00 0.00 H new ATOM 1241 N ALA A 83 2.330 -18.157 1.485 1.00 0.00 N ATOM 1242 CA ALA A 83 1.145 -18.079 2.322 1.00 0.00 C ATOM 1243 C ALA A 83 0.630 -19.492 2.602 1.00 0.00 C ATOM 1244 O ALA A 83 -0.573 -19.742 2.543 1.00 0.00 O ATOM 1245 CB ALA A 83 0.095 -17.200 1.640 1.00 0.00 C ATOM 0 H ALA A 83 2.147 -18.123 0.482 1.00 0.00 H new ATOM 0 HA ALA A 83 1.382 -17.619 3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.794 -17.142 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.500 -16.199 1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.170 -17.632 0.675 1.00 0.00 H new ATOM 1251 N ASP A 84 1.566 -20.381 2.901 1.00 0.00 N ATOM 1252 CA ASP A 84 1.222 -21.762 3.190 1.00 0.00 C ATOM 1253 C ASP A 84 1.492 -22.052 4.668 1.00 0.00 C ATOM 1254 O ASP A 84 0.565 -22.322 5.430 1.00 0.00 O ATOM 1255 CB ASP A 84 2.069 -22.727 2.357 1.00 0.00 C ATOM 1256 CG ASP A 84 1.653 -24.196 2.447 1.00 0.00 C ATOM 1257 OD1 ASP A 84 0.731 -24.572 1.692 1.00 0.00 O ATOM 1258 OD2 ASP A 84 2.266 -24.910 3.270 1.00 0.00 O ATOM 0 H ASP A 84 2.563 -20.171 2.949 1.00 0.00 H new ATOM 0 HA ASP A 84 0.169 -21.905 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.026 -22.416 1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.109 -22.639 2.673 1.00 0.00 H new ATOM 1263 N GLY A 85 2.765 -21.986 5.028 1.00 0.00 N ATOM 1264 CA GLY A 85 3.168 -22.238 6.401 1.00 0.00 C ATOM 1265 C GLY A 85 4.551 -21.647 6.684 1.00 0.00 C ATOM 1266 O GLY A 85 5.263 -22.119 7.569 1.00 0.00 O ATOM 0 H GLY A 85 3.531 -21.762 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.437 -21.805 7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.182 -23.312 6.588 1.00 0.00 H new ATOM 1270 N ILE A 86 4.889 -20.622 5.915 1.00 0.00 N ATOM 1271 CA ILE A 86 6.174 -19.961 6.072 1.00 0.00 C ATOM 1272 C ILE A 86 6.232 -19.288 7.445 1.00 0.00 C ATOM 1273 O ILE A 86 7.010 -19.694 8.307 1.00 0.00 O ATOM 1274 CB ILE A 86 6.430 -19.004 4.907 1.00 0.00 C ATOM 1275 CG1 ILE A 86 6.999 -19.751 3.699 1.00 0.00 C ATOM 1276 CG2 ILE A 86 7.327 -17.843 5.338 1.00 0.00 C ATOM 1277 CD1 ILE A 86 8.343 -20.399 4.038 1.00 0.00 C ATOM 0 H ILE A 86 4.296 -20.233 5.182 1.00 0.00 H new ATOM 0 HA ILE A 86 6.984 -20.690 6.039 1.00 0.00 H new ATOM 0 HB ILE A 86 5.476 -18.576 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.294 -20.516 3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.124 -19.060 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.493 -17.178 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.845 -17.290 6.144 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.284 -18.232 5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.725 -20.923 3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.053 -19.628 4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.209 -21.108 4.855 1.00 0.00 H new ATOM 1289 N ALA A 87 5.399 -18.271 7.605 1.00 0.00 N ATOM 1290 CA ALA A 87 5.346 -17.537 8.859 1.00 0.00 C ATOM 1291 C ALA A 87 6.442 -16.470 8.867 1.00 0.00 C ATOM 1292 O ALA A 87 7.367 -16.518 8.057 1.00 0.00 O ATOM 1293 CB ALA A 87 5.475 -18.515 10.028 1.00 0.00 C ATOM 0 H ALA A 87 4.755 -17.937 6.888 1.00 0.00 H new ATOM 0 HA ALA A 87 4.389 -17.026 8.965 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.435 -17.965 10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.656 -19.234 9.993 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.425 -19.044 9.957 1.00 0.00 H new ATOM 1299 N GLU A 88 6.303 -15.531 9.791 1.00 0.00 N ATOM 1300 CA GLU A 88 7.270 -14.454 9.916 1.00 0.00 C ATOM 1301 C GLU A 88 7.109 -13.461 8.763 1.00 0.00 C ATOM 1302 O GLU A 88 7.747 -12.409 8.751 1.00 0.00 O ATOM 1303 CB GLU A 88 8.697 -15.002 9.973 1.00 0.00 C ATOM 1304 CG GLU A 88 9.538 -14.236 10.996 1.00 0.00 C ATOM 1305 CD GLU A 88 10.886 -13.825 10.400 1.00 0.00 C ATOM 1306 OE1 GLU A 88 10.860 -13.063 9.409 1.00 0.00 O ATOM 1307 OE2 GLU A 88 11.912 -14.283 10.948 1.00 0.00 O ATOM 0 H GLU A 88 5.535 -15.494 10.461 1.00 0.00 H new ATOM 0 HA GLU A 88 7.081 -13.928 10.852 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.674 -16.060 10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.159 -14.927 8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.997 -13.349 11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.700 -14.857 11.877 1.00 0.00 H new ATOM 1314 N ASN A 89 6.254 -13.830 7.820 1.00 0.00 N ATOM 1315 CA ASN A 89 6.002 -12.986 6.666 1.00 0.00 C ATOM 1316 C ASN A 89 5.550 -13.856 5.491 1.00 0.00 C ATOM 1317 O ASN A 89 6.369 -14.505 4.843 1.00 0.00 O ATOM 1318 CB ASN A 89 7.269 -12.240 6.241 1.00 0.00 C ATOM 1319 CG ASN A 89 7.244 -10.791 6.732 1.00 0.00 C ATOM 1320 OD1 ASN A 89 8.098 -10.347 7.481 1.00 0.00 O ATOM 1321 ND2 ASN A 89 6.219 -10.082 6.268 1.00 0.00 N ATOM 0 H ASN A 89 5.727 -14.703 7.833 1.00 0.00 H new ATOM 0 HA ASN A 89 5.232 -12.264 6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.146 -12.748 6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.359 -12.258 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.112 -9.104 6.537 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.539 -10.516 5.644 1.00 0.00 H new ATOM 1328 N PRO A 90 4.212 -13.841 5.247 1.00 0.00 N ATOM 1329 CA PRO A 90 3.641 -14.620 4.162 1.00 0.00 C ATOM 1330 C PRO A 90 3.930 -13.970 2.808 1.00 0.00 C ATOM 1331 O PRO A 90 4.038 -14.659 1.795 1.00 0.00 O ATOM 1332 CB PRO A 90 2.156 -14.702 4.476 1.00 0.00 C ATOM 1333 CG PRO A 90 1.876 -13.582 5.465 1.00 0.00 C ATOM 1334 CD PRO A 90 3.212 -13.084 5.994 1.00 0.00 C ATOM 0 HA PRO A 90 4.075 -15.617 4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.559 -14.583 3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.900 -15.672 4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.331 -12.772 4.980 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.251 -13.942 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.326 -12.012 5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.303 -13.258 7.066 1.00 0.00 H new ATOM 1342 N PHE A 91 4.049 -12.651 2.834 1.00 0.00 N ATOM 1343 CA PHE A 91 4.324 -11.900 1.621 1.00 0.00 C ATOM 1344 C PHE A 91 5.809 -11.967 1.260 1.00 0.00 C ATOM 1345 O PHE A 91 6.669 -11.886 2.136 1.00 0.00 O ATOM 1346 CB PHE A 91 3.944 -10.445 1.900 1.00 0.00 C ATOM 1347 CG PHE A 91 3.289 -9.734 0.713 1.00 0.00 C ATOM 1348 CD1 PHE A 91 1.943 -9.809 0.534 1.00 0.00 C ATOM 1349 CD2 PHE A 91 4.054 -9.028 -0.163 1.00 0.00 C ATOM 1350 CE1 PHE A 91 1.336 -9.149 -0.567 1.00 0.00 C ATOM 1351 CE2 PHE A 91 3.446 -8.369 -1.264 1.00 0.00 C ATOM 1352 CZ PHE A 91 2.100 -8.443 -1.443 1.00 0.00 C ATOM 0 H PHE A 91 3.960 -12.083 3.676 1.00 0.00 H new ATOM 0 HA PHE A 91 3.756 -12.316 0.789 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.262 -10.415 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.840 -9.896 2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.336 -10.370 1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.123 -8.969 -0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.267 -9.208 -0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.053 -7.809 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.638 -7.941 -2.280 1.00 0.00 H new ATOM 1362 N LEU A 92 6.066 -12.113 -0.032 1.00 0.00 N ATOM 1363 CA LEU A 92 7.432 -12.192 -0.519 1.00 0.00 C ATOM 1364 C LEU A 92 7.704 -11.012 -1.455 1.00 0.00 C ATOM 1365 O LEU A 92 7.173 -10.959 -2.563 1.00 0.00 O ATOM 1366 CB LEU A 92 7.696 -13.557 -1.158 1.00 0.00 C ATOM 1367 CG LEU A 92 7.508 -14.771 -0.247 1.00 0.00 C ATOM 1368 CD1 LEU A 92 7.618 -16.075 -1.040 1.00 0.00 C ATOM 1369 CD2 LEU A 92 8.487 -14.732 0.928 1.00 0.00 C ATOM 0 H LEU A 92 5.351 -12.179 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 92 8.136 -12.112 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.036 -13.667 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.718 -13.567 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 92 6.502 -14.731 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.480 -16.922 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.850 -16.097 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.602 -16.136 -1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.332 -15.606 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.509 -14.734 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.318 -13.828 1.512 1.00 0.00 H new ATOM 1381 N ASP A 93 8.531 -10.095 -0.975 1.00 0.00 N ATOM 1382 CA ASP A 93 8.879 -8.920 -1.755 1.00 0.00 C ATOM 1383 C ASP A 93 9.730 -9.342 -2.954 1.00 0.00 C ATOM 1384 O ASP A 93 10.933 -9.089 -2.986 1.00 0.00 O ATOM 1385 CB ASP A 93 9.695 -7.928 -0.922 1.00 0.00 C ATOM 1386 CG ASP A 93 10.309 -6.772 -1.713 1.00 0.00 C ATOM 1387 OD1 ASP A 93 9.891 -6.595 -2.878 1.00 0.00 O ATOM 1388 OD2 ASP A 93 11.183 -6.090 -1.135 1.00 0.00 O ATOM 0 H ASP A 93 8.970 -10.142 -0.056 1.00 0.00 H new ATOM 0 HA ASP A 93 7.953 -8.444 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.053 -7.515 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.496 -8.471 -0.420 1.00 0.00 H new ATOM 1393 N SER A 94 9.072 -9.979 -3.911 1.00 0.00 N ATOM 1394 CA SER A 94 9.753 -10.440 -5.109 1.00 0.00 C ATOM 1395 C SER A 94 8.818 -10.335 -6.315 1.00 0.00 C ATOM 1396 O SER A 94 7.605 -10.488 -6.180 1.00 0.00 O ATOM 1397 CB SER A 94 10.246 -11.878 -4.944 1.00 0.00 C ATOM 1398 OG SER A 94 11.468 -12.107 -5.641 1.00 0.00 O ATOM 0 H SER A 94 8.074 -10.187 -3.881 1.00 0.00 H new ATOM 0 HA SER A 94 10.622 -9.804 -5.274 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.387 -12.094 -3.885 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.485 -12.567 -5.311 1.00 0.00 H new ATOM 0 HG SER A 94 11.750 -13.036 -5.509 1.00 0.00 H new ATOM 1404 N PRO A 95 9.433 -10.067 -7.498 1.00 0.00 N ATOM 1405 CA PRO A 95 8.669 -9.940 -8.728 1.00 0.00 C ATOM 1406 C PRO A 95 8.214 -11.310 -9.235 1.00 0.00 C ATOM 1407 O PRO A 95 7.482 -11.399 -10.219 1.00 0.00 O ATOM 1408 CB PRO A 95 9.598 -9.226 -9.696 1.00 0.00 C ATOM 1409 CG PRO A 95 10.999 -9.395 -9.131 1.00 0.00 C ATOM 1410 CD PRO A 95 10.868 -9.879 -7.696 1.00 0.00 C ATOM 0 HA PRO A 95 7.746 -9.376 -8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.526 -9.655 -10.695 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.336 -8.171 -9.782 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.566 -10.111 -9.725 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.542 -8.450 -9.167 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.414 -10.809 -7.540 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.273 -9.150 -6.994 1.00 0.00 H new ATOM 1418 N ASP A 96 8.668 -12.343 -8.540 1.00 0.00 N ATOM 1419 CA ASP A 96 8.317 -13.704 -8.908 1.00 0.00 C ATOM 1420 C ASP A 96 6.944 -14.047 -8.325 1.00 0.00 C ATOM 1421 O ASP A 96 6.079 -14.565 -9.030 1.00 0.00 O ATOM 1422 CB ASP A 96 9.331 -14.704 -8.349 1.00 0.00 C ATOM 1423 CG ASP A 96 10.193 -15.407 -9.401 1.00 0.00 C ATOM 1424 OD1 ASP A 96 11.255 -14.839 -9.735 1.00 0.00 O ATOM 1425 OD2 ASP A 96 9.770 -16.495 -9.846 1.00 0.00 O ATOM 0 H ASP A 96 9.276 -12.265 -7.724 1.00 0.00 H new ATOM 0 HA ASP A 96 8.309 -13.768 -9.996 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.987 -14.182 -7.653 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.795 -15.460 -7.776 1.00 0.00 H new ATOM 1430 N ALA A 97 6.788 -13.745 -7.045 1.00 0.00 N ATOM 1431 CA ALA A 97 5.536 -14.015 -6.360 1.00 0.00 C ATOM 1432 C ALA A 97 4.428 -13.155 -6.973 1.00 0.00 C ATOM 1433 O ALA A 97 4.437 -11.933 -6.834 1.00 0.00 O ATOM 1434 CB ALA A 97 5.708 -13.761 -4.861 1.00 0.00 C ATOM 0 H ALA A 97 7.508 -13.316 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 97 5.250 -15.059 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.768 -13.964 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.485 -14.416 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.993 -12.722 -4.698 1.00 0.00 H new ATOM 1440 N PHE A 98 3.501 -13.828 -7.638 1.00 0.00 N ATOM 1441 CA PHE A 98 2.389 -13.141 -8.273 1.00 0.00 C ATOM 1442 C PHE A 98 1.122 -13.244 -7.421 1.00 0.00 C ATOM 1443 O PHE A 98 0.834 -14.297 -6.854 1.00 0.00 O ATOM 1444 CB PHE A 98 2.143 -13.834 -9.615 1.00 0.00 C ATOM 1445 CG PHE A 98 3.423 -14.235 -10.352 1.00 0.00 C ATOM 1446 CD1 PHE A 98 4.214 -13.281 -10.911 1.00 0.00 C ATOM 1447 CD2 PHE A 98 3.769 -15.547 -10.447 1.00 0.00 C ATOM 1448 CE1 PHE A 98 5.401 -13.654 -11.594 1.00 0.00 C ATOM 1449 CE2 PHE A 98 4.957 -15.920 -11.130 1.00 0.00 C ATOM 1450 CZ PHE A 98 5.748 -14.965 -11.690 1.00 0.00 C ATOM 0 H PHE A 98 3.497 -14.842 -7.751 1.00 0.00 H new ATOM 0 HA PHE A 98 2.627 -12.085 -8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.538 -14.725 -9.447 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.561 -13.170 -10.254 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.939 -12.239 -10.835 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.140 -16.305 -10.003 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.029 -12.896 -12.038 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.233 -16.962 -11.205 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.651 -15.248 -12.210 1.00 0.00 H new ATOM 1460 N TYR A 99 0.400 -12.135 -7.356 1.00 0.00 N ATOM 1461 CA TYR A 99 -0.829 -12.087 -6.583 1.00 0.00 C ATOM 1462 C TYR A 99 -1.912 -11.297 -7.321 1.00 0.00 C ATOM 1463 O TYR A 99 -1.625 -10.272 -7.938 1.00 0.00 O ATOM 1464 CB TYR A 99 -0.481 -11.359 -5.283 1.00 0.00 C ATOM 1465 CG TYR A 99 0.146 -12.258 -4.215 1.00 0.00 C ATOM 1466 CD1 TYR A 99 -0.535 -13.371 -3.764 1.00 0.00 C ATOM 1467 CD2 TYR A 99 1.390 -11.955 -3.702 1.00 0.00 C ATOM 1468 CE1 TYR A 99 0.055 -14.217 -2.759 1.00 0.00 C ATOM 1469 CE2 TYR A 99 1.980 -12.801 -2.697 1.00 0.00 C ATOM 1470 CZ TYR A 99 1.283 -13.890 -2.275 1.00 0.00 C ATOM 1471 OH TYR A 99 1.840 -14.689 -1.326 1.00 0.00 O ATOM 0 H TYR A 99 0.643 -11.263 -7.826 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.212 -13.093 -6.410 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.208 -10.545 -5.508 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.387 -10.908 -4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.510 -13.607 -4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.922 -11.083 -4.054 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.466 -15.091 -2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.954 -12.576 -2.288 1.00 0.00 H new ATOM 0 HH TYR A 99 1.746 -15.627 -1.592 1.00 0.00 H new ATOM 1481 N TYR A 100 -3.132 -11.804 -7.235 1.00 0.00 N ATOM 1482 CA TYR A 100 -4.259 -11.159 -7.887 1.00 0.00 C ATOM 1483 C TYR A 100 -5.440 -11.013 -6.926 1.00 0.00 C ATOM 1484 O TYR A 100 -5.649 -11.862 -6.060 1.00 0.00 O ATOM 1485 CB TYR A 100 -4.665 -12.081 -9.038 1.00 0.00 C ATOM 1486 CG TYR A 100 -5.317 -13.390 -8.587 1.00 0.00 C ATOM 1487 CD1 TYR A 100 -4.530 -14.444 -8.169 1.00 0.00 C ATOM 1488 CD2 TYR A 100 -6.691 -13.516 -8.597 1.00 0.00 C ATOM 1489 CE1 TYR A 100 -5.144 -15.676 -7.744 1.00 0.00 C ATOM 1490 CE2 TYR A 100 -7.304 -14.747 -8.172 1.00 0.00 C ATOM 1491 CZ TYR A 100 -6.500 -15.766 -7.766 1.00 0.00 C ATOM 1492 OH TYR A 100 -7.080 -16.930 -7.365 1.00 0.00 O ATOM 0 H TYR A 100 -3.365 -12.655 -6.723 1.00 0.00 H new ATOM 0 HA TYR A 100 -3.984 -10.161 -8.228 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.357 -11.548 -9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.782 -12.313 -9.633 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.455 -14.345 -8.161 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.307 -12.691 -8.924 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.540 -16.509 -7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.378 -14.859 -8.175 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.054 -16.850 -7.432 1.00 0.00 H new ATOM 1502 N PHE A 101 -6.181 -9.931 -7.109 1.00 0.00 N ATOM 1503 CA PHE A 101 -7.336 -9.663 -6.269 1.00 0.00 C ATOM 1504 C PHE A 101 -8.424 -10.718 -6.479 1.00 0.00 C ATOM 1505 O PHE A 101 -8.693 -11.120 -7.610 1.00 0.00 O ATOM 1506 CB PHE A 101 -7.883 -8.295 -6.682 1.00 0.00 C ATOM 1507 CG PHE A 101 -6.821 -7.195 -6.746 1.00 0.00 C ATOM 1508 CD1 PHE A 101 -5.903 -7.077 -5.750 1.00 0.00 C ATOM 1509 CD2 PHE A 101 -6.797 -6.335 -7.799 1.00 0.00 C ATOM 1510 CE1 PHE A 101 -4.918 -6.055 -5.810 1.00 0.00 C ATOM 1511 CE2 PHE A 101 -5.812 -5.313 -7.859 1.00 0.00 C ATOM 1512 CZ PHE A 101 -4.893 -5.195 -6.863 1.00 0.00 C ATOM 0 H PHE A 101 -6.004 -9.229 -7.827 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.044 -9.684 -5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.358 -8.385 -7.659 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.659 -7.997 -5.976 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -5.923 -7.760 -4.914 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.527 -6.429 -8.590 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.189 -5.961 -5.019 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.793 -4.630 -8.695 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.144 -4.419 -6.909 1.00 0.00 H new ATOM 1522 N PRO A 102 -9.035 -11.148 -5.343 1.00 0.00 N ATOM 1523 CA PRO A 102 -10.087 -12.149 -5.391 1.00 0.00 C ATOM 1524 C PRO A 102 -11.395 -11.544 -5.908 1.00 0.00 C ATOM 1525 O PRO A 102 -12.337 -11.348 -5.142 1.00 0.00 O ATOM 1526 CB PRO A 102 -10.197 -12.674 -3.969 1.00 0.00 C ATOM 1527 CG PRO A 102 -9.533 -11.630 -3.087 1.00 0.00 C ATOM 1528 CD PRO A 102 -8.742 -10.694 -3.986 1.00 0.00 C ATOM 0 HA PRO A 102 -9.864 -12.960 -6.084 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.240 -12.819 -3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.703 -13.640 -3.870 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.282 -11.075 -2.523 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.876 -12.107 -2.360 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.044 -9.657 -3.842 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.675 -10.748 -3.772 1.00 0.00 H new ATOM 1536 N ASP A 103 -11.411 -11.267 -7.203 1.00 0.00 N ATOM 1537 CA ASP A 103 -12.587 -10.690 -7.831 1.00 0.00 C ATOM 1538 C ASP A 103 -12.341 -10.550 -9.334 1.00 0.00 C ATOM 1539 O ASP A 103 -13.225 -10.834 -10.141 1.00 0.00 O ATOM 1540 CB ASP A 103 -12.884 -9.298 -7.269 1.00 0.00 C ATOM 1541 CG ASP A 103 -14.205 -8.682 -7.732 1.00 0.00 C ATOM 1542 OD1 ASP A 103 -14.294 -8.370 -8.939 1.00 0.00 O ATOM 1543 OD2 ASP A 103 -15.097 -8.537 -6.868 1.00 0.00 O ATOM 0 H ASP A 103 -10.628 -11.432 -7.835 1.00 0.00 H new ATOM 0 HA ASP A 103 -13.433 -11.348 -7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.889 -9.356 -6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.071 -8.629 -7.549 1.00 0.00 H new ATOM 1548 N SER A 104 -11.135 -10.112 -9.666 1.00 0.00 N ATOM 1549 CA SER A 104 -10.761 -9.931 -11.058 1.00 0.00 C ATOM 1550 C SER A 104 -9.962 -11.140 -11.547 1.00 0.00 C ATOM 1551 O SER A 104 -10.507 -12.023 -12.209 1.00 0.00 O ATOM 1552 CB SER A 104 -9.950 -8.647 -11.248 1.00 0.00 C ATOM 1553 OG SER A 104 -10.725 -7.610 -11.843 1.00 0.00 O ATOM 0 H SER A 104 -10.404 -9.877 -8.994 1.00 0.00 H new ATOM 0 HA SER A 104 -11.673 -9.844 -11.648 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.573 -8.310 -10.282 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.082 -8.855 -11.873 1.00 0.00 H new ATOM 0 HG SER A 104 -10.173 -6.807 -11.946 1.00 0.00 H new