USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1012 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 17 TYR OH : rot 180:sc= 0.591 USER MOD Set 1.2: A 110 ASN : amide:sc= 0.601 K(o=1.2,f=-0.4) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00245 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 157:sc= 1.15 (180deg=0.82) USER MOD Single : A 13 CYS SG : rot 77:sc= 0.038 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 25 SER OG : rot -105:sc= 0.814 USER MOD Single : A 31 THR OG1 : rot -55:sc= 1.01 USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= -0.008 (180deg=-0.638) USER MOD Single : A 34 TYR OH : rot 55:sc= 1.56 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 38 THR OG1 : rot 34:sc= 0.704 USER MOD Single : A 44 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 48 TYR OH : rot -36:sc= 1.24 USER MOD Single : A 49 GLN : amide:sc= -0.468 X(o=-0.47,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=-0.05) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 54 GLN : amide:sc= 0.625 K(o=0.63,f=-0.0023) USER MOD Single : A 55 CYS SG : rot 78:sc= 0.208 USER MOD Single : A 56 THR OG1 : rot 87:sc= -1.96! USER MOD Single : A 68 THR OG1 : rot -75:sc= 0.864 USER MOD Single : A 74 SER OG : rot 24:sc= 0.121 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 74:sc= 0.00257 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0.673 K(o=0.67,f=-5.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -90:sc= -0.0156 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.1) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0.677 K(o=0.68,f=-0.45) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -166:sc= -1.64! (180deg=-2.38!) USER MOD Single : A 129 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.2) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ -177:sc= 1.04 (180deg=0.903) USER MOD Single : A 134 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 67 N ALA A 5 -0.207 -21.830 0.187 1.00 0.00 N ATOM 68 CA ALA A 5 -0.269 -21.160 1.483 1.00 0.00 C ATOM 69 C ALA A 5 1.108 -20.871 2.109 1.00 0.00 C ATOM 70 O ALA A 5 1.413 -21.306 3.223 1.00 0.00 O ATOM 71 CB ALA A 5 -1.145 -22.016 2.403 1.00 0.00 C ATOM 0 HA ALA A 5 -0.704 -20.171 1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.213 -21.544 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.143 -22.107 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.703 -23.007 2.508 1.00 0.00 H new ATOM 77 N THR A 6 1.924 -20.100 1.401 1.00 0.00 N ATOM 78 CA THR A 6 3.243 -19.617 1.785 1.00 0.00 C ATOM 79 C THR A 6 3.085 -18.688 3.012 1.00 0.00 C ATOM 80 O THR A 6 1.996 -18.147 3.246 1.00 0.00 O ATOM 81 CB THR A 6 3.836 -18.931 0.530 1.00 0.00 C ATOM 82 OG1 THR A 6 3.682 -19.756 -0.617 1.00 0.00 O ATOM 83 CG2 THR A 6 5.334 -18.654 0.611 1.00 0.00 C ATOM 0 H THR A 6 1.660 -19.771 0.472 1.00 0.00 H new ATOM 0 HA THR A 6 3.932 -20.402 2.095 1.00 0.00 H new ATOM 0 HB THR A 6 3.288 -17.991 0.467 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.062 -19.303 -1.399 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.665 -18.173 -0.309 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.537 -17.998 1.457 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.871 -19.593 0.743 1.00 0.00 H new ATOM 91 N LYS A 7 4.141 -18.495 3.813 1.00 0.00 N ATOM 92 CA LYS A 7 4.106 -17.705 5.055 1.00 0.00 C ATOM 93 C LYS A 7 5.272 -16.731 5.088 1.00 0.00 C ATOM 94 O LYS A 7 6.138 -16.776 4.219 1.00 0.00 O ATOM 95 CB LYS A 7 4.125 -18.650 6.284 1.00 0.00 C ATOM 96 CG LYS A 7 2.814 -18.663 7.084 1.00 0.00 C ATOM 97 CD LYS A 7 2.501 -17.315 7.755 1.00 0.00 C ATOM 98 CE LYS A 7 1.201 -17.387 8.565 1.00 0.00 C ATOM 99 NZ LYS A 7 1.410 -17.759 9.979 1.00 0.00 N ATOM 0 H LYS A 7 5.060 -18.889 3.614 1.00 0.00 H new ATOM 0 HA LYS A 7 3.184 -17.125 5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.342 -19.663 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.939 -18.353 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.993 -18.930 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.870 -19.438 7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.325 -17.032 8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.416 -16.538 6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.701 -16.419 8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.533 -18.112 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.493 -17.790 10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.861 -18.695 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.024 -17.055 10.436 1.00 0.00 H new ATOM 113 N ILE A 8 5.345 -15.870 6.099 1.00 0.00 N ATOM 114 CA ILE A 8 6.463 -14.944 6.283 1.00 0.00 C ATOM 115 C ILE A 8 7.123 -15.178 7.631 1.00 0.00 C ATOM 116 O ILE A 8 6.455 -15.597 8.577 1.00 0.00 O ATOM 117 CB ILE A 8 6.035 -13.473 6.111 1.00 0.00 C ATOM 118 CG1 ILE A 8 5.296 -12.802 7.286 1.00 0.00 C ATOM 119 CG2 ILE A 8 5.265 -13.267 4.807 1.00 0.00 C ATOM 120 CD1 ILE A 8 3.974 -13.433 7.749 1.00 0.00 C ATOM 0 H ILE A 8 4.627 -15.793 6.819 1.00 0.00 H new ATOM 0 HA ILE A 8 7.194 -15.146 5.500 1.00 0.00 H new ATOM 0 HB ILE A 8 6.992 -12.952 6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.974 -12.778 8.139 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.095 -11.767 7.009 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.978 -12.220 4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.897 -13.545 3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.370 -13.890 4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.567 -12.857 8.580 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.262 -13.432 6.924 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.154 -14.459 8.072 1.00 0.00 H new ATOM 132 N ASP A 9 8.414 -14.877 7.735 1.00 0.00 N ATOM 133 CA ASP A 9 9.170 -14.951 8.982 1.00 0.00 C ATOM 134 C ASP A 9 8.963 -13.592 9.647 1.00 0.00 C ATOM 135 O ASP A 9 9.869 -12.767 9.741 1.00 0.00 O ATOM 136 CB ASP A 9 10.641 -15.261 8.678 1.00 0.00 C ATOM 137 CG ASP A 9 11.493 -15.520 9.922 1.00 0.00 C ATOM 138 OD1 ASP A 9 11.003 -15.390 11.068 1.00 0.00 O ATOM 139 OD2 ASP A 9 12.664 -15.922 9.721 1.00 0.00 O ATOM 0 H ASP A 9 8.975 -14.569 6.941 1.00 0.00 H new ATOM 0 HA ASP A 9 8.840 -15.748 9.648 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.691 -16.135 8.028 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.070 -14.426 8.124 1.00 0.00 H new ATOM 144 N LYS A 10 7.713 -13.315 10.037 1.00 0.00 N ATOM 145 CA LYS A 10 7.291 -12.043 10.596 1.00 0.00 C ATOM 146 C LYS A 10 8.154 -11.626 11.766 1.00 0.00 C ATOM 147 O LYS A 10 8.468 -10.448 11.858 1.00 0.00 O ATOM 148 CB LYS A 10 5.792 -12.097 10.956 1.00 0.00 C ATOM 149 CG LYS A 10 5.090 -10.735 10.808 1.00 0.00 C ATOM 150 CD LYS A 10 5.046 -9.914 12.109 1.00 0.00 C ATOM 151 CE LYS A 10 4.698 -8.430 11.900 1.00 0.00 C ATOM 152 NZ LYS A 10 3.399 -8.204 11.228 1.00 0.00 N ATOM 0 H LYS A 10 6.954 -13.993 9.967 1.00 0.00 H new ATOM 0 HA LYS A 10 7.425 -11.270 9.839 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.296 -12.827 10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.683 -12.447 11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.602 -10.155 10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.071 -10.898 10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.312 -10.358 12.782 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.015 -9.983 12.603 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.686 -7.931 12.869 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.486 -7.962 11.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.049 -7.252 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.522 -8.287 10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.712 -8.914 11.553 1.00 0.00 H new ATOM 166 N GLU A 11 8.543 -12.552 12.635 1.00 0.00 N ATOM 167 CA GLU A 11 9.362 -12.225 13.793 1.00 0.00 C ATOM 168 C GLU A 11 10.771 -11.792 13.387 1.00 0.00 C ATOM 169 O GLU A 11 11.341 -10.925 14.043 1.00 0.00 O ATOM 170 CB GLU A 11 9.361 -13.418 14.749 1.00 0.00 C ATOM 171 CG GLU A 11 8.047 -13.386 15.552 1.00 0.00 C ATOM 172 CD GLU A 11 7.802 -14.623 16.414 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.753 -15.169 17.021 1.00 0.00 O ATOM 174 OE2 GLU A 11 6.626 -15.056 16.484 1.00 0.00 O ATOM 0 H GLU A 11 8.302 -13.540 12.557 1.00 0.00 H new ATOM 0 HA GLU A 11 8.936 -11.366 14.312 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.445 -14.352 14.193 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.219 -13.369 15.420 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.050 -12.506 16.195 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.214 -13.271 14.858 1.00 0.00 H new ATOM 181 N ALA A 12 11.361 -12.362 12.334 1.00 0.00 N ATOM 182 CA ALA A 12 12.665 -11.909 11.863 1.00 0.00 C ATOM 183 C ALA A 12 12.517 -10.588 11.120 1.00 0.00 C ATOM 184 O ALA A 12 13.223 -9.629 11.420 1.00 0.00 O ATOM 185 CB ALA A 12 13.326 -12.949 10.964 1.00 0.00 C ATOM 0 H ALA A 12 10.959 -13.131 11.798 1.00 0.00 H new ATOM 0 HA ALA A 12 13.307 -11.765 12.732 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.296 -12.579 10.631 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.463 -13.876 11.520 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.692 -13.136 10.097 1.00 0.00 H new ATOM 191 N CYS A 13 11.588 -10.509 10.163 1.00 0.00 N ATOM 192 CA CYS A 13 11.396 -9.292 9.390 1.00 0.00 C ATOM 193 C CYS A 13 10.966 -8.127 10.295 1.00 0.00 C ATOM 194 O CYS A 13 11.264 -6.975 9.976 1.00 0.00 O ATOM 195 CB CYS A 13 10.387 -9.544 8.266 1.00 0.00 C ATOM 196 SG CYS A 13 10.932 -10.886 7.165 1.00 0.00 S ATOM 0 H CYS A 13 10.962 -11.274 9.910 1.00 0.00 H new ATOM 0 HA CYS A 13 12.345 -9.006 8.936 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.418 -9.797 8.696 1.00 0.00 H new ATOM 0 HB3 CYS A 13 10.251 -8.631 7.687 1.00 0.00 H new ATOM 0 HG CYS A 13 10.726 -12.032 7.743 1.00 0.00 H new ATOM 202 N ARG A 14 10.294 -8.401 11.425 1.00 0.00 N ATOM 203 CA ARG A 14 9.912 -7.391 12.409 1.00 0.00 C ATOM 204 C ARG A 14 11.156 -6.682 12.918 1.00 0.00 C ATOM 205 O ARG A 14 11.093 -5.467 13.085 1.00 0.00 O ATOM 206 CB ARG A 14 9.127 -7.998 13.595 1.00 0.00 C ATOM 207 CG ARG A 14 8.869 -6.949 14.690 1.00 0.00 C ATOM 208 CD ARG A 14 8.125 -7.461 15.922 1.00 0.00 C ATOM 209 NE ARG A 14 7.976 -6.334 16.852 1.00 0.00 N ATOM 210 CZ ARG A 14 7.579 -6.325 18.123 1.00 0.00 C ATOM 211 NH1 ARG A 14 7.210 -7.433 18.748 1.00 0.00 N ATOM 212 NH2 ARG A 14 7.562 -5.168 18.770 1.00 0.00 N ATOM 0 H ARG A 14 10.000 -9.344 11.678 1.00 0.00 H new ATOM 0 HA ARG A 14 9.251 -6.679 11.915 1.00 0.00 H new ATOM 0 HB2 ARG A 14 8.177 -8.396 13.239 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.686 -8.834 14.014 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.827 -6.538 15.009 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.298 -6.128 14.256 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.149 -7.858 15.642 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.677 -8.275 16.392 1.00 0.00 H new ATOM 0 HE ARG A 14 8.212 -5.420 16.466 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.225 -8.326 18.255 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.911 -7.393 19.722 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.849 -4.313 18.293 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.262 -5.133 19.744 1.00 0.00 H new ATOM 226 N ALA A 15 12.243 -7.411 13.177 1.00 0.00 N ATOM 227 CA ALA A 15 13.454 -6.852 13.746 1.00 0.00 C ATOM 228 C ALA A 15 13.927 -5.660 12.910 1.00 0.00 C ATOM 229 O ALA A 15 14.070 -4.562 13.451 1.00 0.00 O ATOM 230 CB ALA A 15 14.507 -7.958 13.890 1.00 0.00 C ATOM 0 H ALA A 15 12.300 -8.413 12.994 1.00 0.00 H new ATOM 0 HA ALA A 15 13.264 -6.464 14.747 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.418 -7.539 14.318 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.125 -8.741 14.545 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.727 -8.381 12.910 1.00 0.00 H new ATOM 236 N ALA A 16 14.115 -5.842 11.599 1.00 0.00 N ATOM 237 CA ALA A 16 14.529 -4.755 10.721 1.00 0.00 C ATOM 238 C ALA A 16 13.430 -3.718 10.526 1.00 0.00 C ATOM 239 O ALA A 16 13.710 -2.519 10.493 1.00 0.00 O ATOM 240 CB ALA A 16 14.885 -5.290 9.346 1.00 0.00 C ATOM 0 H ALA A 16 13.985 -6.736 11.126 1.00 0.00 H new ATOM 0 HA ALA A 16 15.389 -4.289 11.202 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.192 -4.465 8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 16 15.703 -6.005 9.434 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.016 -5.785 8.912 1.00 0.00 H new ATOM 246 N TYR A 17 12.184 -4.177 10.367 1.00 0.00 N ATOM 247 CA TYR A 17 11.037 -3.299 10.215 1.00 0.00 C ATOM 248 C TYR A 17 11.005 -2.291 11.367 1.00 0.00 C ATOM 249 O TYR A 17 10.747 -1.116 11.123 1.00 0.00 O ATOM 250 CB TYR A 17 9.756 -4.143 10.115 1.00 0.00 C ATOM 251 CG TYR A 17 8.486 -3.390 10.444 1.00 0.00 C ATOM 252 CD1 TYR A 17 7.797 -2.699 9.434 1.00 0.00 C ATOM 253 CD2 TYR A 17 8.048 -3.310 11.781 1.00 0.00 C ATOM 254 CE1 TYR A 17 6.733 -1.847 9.767 1.00 0.00 C ATOM 255 CE2 TYR A 17 6.964 -2.482 12.118 1.00 0.00 C ATOM 256 CZ TYR A 17 6.330 -1.718 11.114 1.00 0.00 C ATOM 257 OH TYR A 17 5.360 -0.826 11.438 1.00 0.00 O ATOM 0 H TYR A 17 11.951 -5.170 10.341 1.00 0.00 H new ATOM 0 HA TYR A 17 11.112 -2.723 9.293 1.00 0.00 H new ATOM 0 HB2 TYR A 17 9.676 -4.542 9.104 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.843 -4.996 10.788 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.086 -2.823 8.401 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.546 -3.886 12.547 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.223 -1.291 8.994 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.618 -2.430 13.140 1.00 0.00 H new ATOM 0 HH TYR A 17 5.196 -0.858 12.404 1.00 0.00 H new ATOM 267 N ASN A 18 11.308 -2.724 12.598 1.00 0.00 N ATOM 268 CA ASN A 18 11.281 -1.872 13.777 1.00 0.00 C ATOM 269 C ASN A 18 12.220 -0.687 13.615 1.00 0.00 C ATOM 270 O ASN A 18 11.800 0.433 13.861 1.00 0.00 O ATOM 271 CB ASN A 18 11.680 -2.630 15.051 1.00 0.00 C ATOM 272 CG ASN A 18 11.304 -1.804 16.266 1.00 0.00 C ATOM 273 OD1 ASN A 18 10.143 -1.439 16.453 1.00 0.00 O ATOM 274 ND2 ASN A 18 12.256 -1.572 17.135 1.00 0.00 N ATOM 0 H ASN A 18 11.581 -3.687 12.797 1.00 0.00 H new ATOM 0 HA ASN A 18 10.252 -1.527 13.877 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.178 -3.597 15.085 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.752 -2.828 15.049 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.046 -1.074 18.000 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.207 -1.889 16.947 1.00 0.00 H new ATOM 281 N LEU A 19 13.468 -0.931 13.198 1.00 0.00 N ATOM 282 CA LEU A 19 14.452 0.106 12.921 1.00 0.00 C ATOM 283 C LEU A 19 13.908 1.115 11.930 1.00 0.00 C ATOM 284 O LEU A 19 13.866 2.302 12.216 1.00 0.00 O ATOM 285 CB LEU A 19 15.770 -0.494 12.401 1.00 0.00 C ATOM 286 CG LEU A 19 16.722 -1.029 13.479 1.00 0.00 C ATOM 287 CD1 LEU A 19 16.076 -1.880 14.574 1.00 0.00 C ATOM 288 CD2 LEU A 19 17.853 -1.807 12.806 1.00 0.00 C ATOM 0 H LEU A 19 13.823 -1.875 13.043 1.00 0.00 H new ATOM 0 HA LEU A 19 14.661 0.617 13.861 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.533 -1.307 11.714 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.294 0.268 11.824 1.00 0.00 H new ATOM 0 HG LEU A 19 17.094 -0.149 14.003 1.00 0.00 H new ATOM 0 HD11 LEU A 19 16.840 -2.204 15.281 1.00 0.00 H new ATOM 0 HD12 LEU A 19 15.324 -1.290 15.098 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.603 -2.753 14.125 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.534 -2.190 13.566 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.435 -2.640 12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 19 18.398 -1.147 12.131 1.00 0.00 H new ATOM 300 N VAL A 20 13.484 0.656 10.762 1.00 0.00 N ATOM 301 CA VAL A 20 13.020 1.554 9.717 1.00 0.00 C ATOM 302 C VAL A 20 11.769 2.331 10.169 1.00 0.00 C ATOM 303 O VAL A 20 11.599 3.490 9.785 1.00 0.00 O ATOM 304 CB VAL A 20 12.918 0.704 8.439 1.00 0.00 C ATOM 305 CG1 VAL A 20 12.151 1.297 7.272 1.00 0.00 C ATOM 306 CG2 VAL A 20 14.348 0.477 7.940 1.00 0.00 C ATOM 0 H VAL A 20 13.452 -0.333 10.515 1.00 0.00 H new ATOM 0 HA VAL A 20 13.706 2.371 9.494 1.00 0.00 H new ATOM 0 HB VAL A 20 12.364 -0.187 8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.157 0.595 6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.122 1.492 7.574 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.622 2.230 6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.325 -0.124 7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.816 1.438 7.728 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.922 -0.045 8.706 1.00 0.00 H new ATOM 316 N ARG A 21 10.934 1.753 11.040 1.00 0.00 N ATOM 317 CA ARG A 21 9.763 2.408 11.620 1.00 0.00 C ATOM 318 C ARG A 21 10.141 3.397 12.735 1.00 0.00 C ATOM 319 O ARG A 21 9.359 4.301 13.031 1.00 0.00 O ATOM 320 CB ARG A 21 8.859 1.313 12.221 1.00 0.00 C ATOM 321 CG ARG A 21 7.411 1.771 12.453 1.00 0.00 C ATOM 322 CD ARG A 21 6.776 1.072 13.665 1.00 0.00 C ATOM 323 NE ARG A 21 7.382 1.518 14.933 1.00 0.00 N ATOM 324 CZ ARG A 21 7.162 2.693 15.536 1.00 0.00 C ATOM 325 NH1 ARG A 21 6.239 3.540 15.096 1.00 0.00 N ATOM 326 NH2 ARG A 21 7.881 3.026 16.597 1.00 0.00 N ATOM 0 H ARG A 21 11.059 0.795 11.367 1.00 0.00 H new ATOM 0 HA ARG A 21 9.259 2.971 10.835 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.856 0.450 11.555 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.283 0.983 13.169 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.392 2.850 12.605 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.818 1.564 11.562 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.705 1.275 13.682 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.894 -0.007 13.565 1.00 0.00 H new ATOM 0 HE ARG A 21 8.026 0.874 15.392 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.676 3.302 14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.093 4.429 15.575 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.596 2.389 16.949 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.720 3.919 17.062 1.00 0.00 H new ATOM 340 N ASP A 22 11.282 3.208 13.389 1.00 0.00 N ATOM 341 CA ASP A 22 11.758 3.980 14.528 1.00 0.00 C ATOM 342 C ASP A 22 12.466 5.263 14.103 1.00 0.00 C ATOM 343 O ASP A 22 13.427 5.234 13.334 1.00 0.00 O ATOM 344 CB ASP A 22 12.711 3.100 15.355 1.00 0.00 C ATOM 345 CG ASP A 22 13.408 3.861 16.478 1.00 0.00 C ATOM 346 OD1 ASP A 22 12.777 4.760 17.075 1.00 0.00 O ATOM 347 OD2 ASP A 22 14.565 3.513 16.812 1.00 0.00 O ATOM 0 H ASP A 22 11.935 2.471 13.123 1.00 0.00 H new ATOM 0 HA ASP A 22 10.896 4.278 15.124 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.150 2.269 15.782 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.464 2.670 14.694 1.00 0.00 H new ATOM 352 N ASP A 23 12.000 6.405 14.610 1.00 0.00 N ATOM 353 CA ASP A 23 12.616 7.708 14.383 1.00 0.00 C ATOM 354 C ASP A 23 14.015 7.817 14.988 1.00 0.00 C ATOM 355 O ASP A 23 14.791 8.662 14.536 1.00 0.00 O ATOM 356 CB ASP A 23 11.745 8.849 14.930 1.00 0.00 C ATOM 357 CG ASP A 23 10.606 9.316 14.024 1.00 0.00 C ATOM 358 OD1 ASP A 23 10.060 8.547 13.200 1.00 0.00 O ATOM 359 OD2 ASP A 23 10.292 10.525 14.063 1.00 0.00 O ATOM 0 H ASP A 23 11.169 6.449 15.200 1.00 0.00 H new ATOM 0 HA ASP A 23 12.704 7.802 13.301 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.319 8.530 15.881 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.389 9.703 15.140 1.00 0.00 H new ATOM 364 N GLY A 24 14.358 6.999 15.985 1.00 0.00 N ATOM 365 CA GLY A 24 15.679 7.012 16.598 1.00 0.00 C ATOM 366 C GLY A 24 16.707 6.201 15.810 1.00 0.00 C ATOM 367 O GLY A 24 17.909 6.342 16.060 1.00 0.00 O ATOM 0 H GLY A 24 13.723 6.309 16.388 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.024 8.042 16.684 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.608 6.614 17.610 1.00 0.00 H new ATOM 371 N SER A 25 16.279 5.359 14.868 1.00 0.00 N ATOM 372 CA SER A 25 17.161 4.480 14.120 1.00 0.00 C ATOM 373 C SER A 25 18.048 5.254 13.149 1.00 0.00 C ATOM 374 O SER A 25 17.656 6.279 12.593 1.00 0.00 O ATOM 375 CB SER A 25 16.302 3.482 13.341 1.00 0.00 C ATOM 376 OG SER A 25 17.079 2.627 12.523 1.00 0.00 O ATOM 0 H SER A 25 15.297 5.272 14.605 1.00 0.00 H new ATOM 0 HA SER A 25 17.816 3.967 14.824 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.721 2.882 14.041 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.590 4.026 12.721 1.00 0.00 H new ATOM 0 HG SER A 25 16.988 2.899 11.586 1.00 0.00 H new ATOM 382 N ALA A 26 19.271 4.752 12.964 1.00 0.00 N ATOM 383 CA ALA A 26 20.220 5.290 12.001 1.00 0.00 C ATOM 384 C ALA A 26 19.952 4.644 10.630 1.00 0.00 C ATOM 385 O ALA A 26 20.231 5.244 9.596 1.00 0.00 O ATOM 386 CB ALA A 26 21.652 4.995 12.462 1.00 0.00 C ATOM 0 H ALA A 26 19.629 3.952 13.486 1.00 0.00 H new ATOM 0 HA ALA A 26 20.101 6.371 11.922 1.00 0.00 H new ATOM 0 HB1 ALA A 26 22.358 5.400 11.737 1.00 0.00 H new ATOM 0 HB2 ALA A 26 21.824 5.458 13.434 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.793 3.917 12.543 1.00 0.00 H new ATOM 392 N VAL A 27 19.449 3.406 10.619 1.00 0.00 N ATOM 393 CA VAL A 27 19.055 2.667 9.427 1.00 0.00 C ATOM 394 C VAL A 27 17.735 3.265 8.948 1.00 0.00 C ATOM 395 O VAL A 27 16.803 3.371 9.752 1.00 0.00 O ATOM 396 CB VAL A 27 18.906 1.176 9.809 1.00 0.00 C ATOM 397 CG1 VAL A 27 18.103 0.353 8.798 1.00 0.00 C ATOM 398 CG2 VAL A 27 20.285 0.527 9.995 1.00 0.00 C ATOM 0 H VAL A 27 19.301 2.875 11.477 1.00 0.00 H new ATOM 0 HA VAL A 27 19.791 2.736 8.626 1.00 0.00 H new ATOM 0 HB VAL A 27 18.347 1.171 10.745 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.043 -0.681 9.137 1.00 0.00 H new ATOM 0 HG12 VAL A 27 17.098 0.765 8.710 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.596 0.389 7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.160 -0.522 10.264 1.00 0.00 H new ATOM 0 HG22 VAL A 27 20.849 0.599 9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.826 1.043 10.789 1.00 0.00 H new ATOM 408 N ILE A 28 17.657 3.599 7.657 1.00 0.00 N ATOM 409 CA ILE A 28 16.474 4.182 7.032 1.00 0.00 C ATOM 410 C ILE A 28 15.907 3.225 5.971 1.00 0.00 C ATOM 411 O ILE A 28 14.716 3.302 5.657 1.00 0.00 O ATOM 412 CB ILE A 28 16.785 5.583 6.444 1.00 0.00 C ATOM 413 CG1 ILE A 28 17.460 5.573 5.047 1.00 0.00 C ATOM 414 CG2 ILE A 28 17.635 6.422 7.419 1.00 0.00 C ATOM 415 CD1 ILE A 28 16.401 5.835 3.962 1.00 0.00 C ATOM 0 H ILE A 28 18.432 3.468 7.007 1.00 0.00 H new ATOM 0 HA ILE A 28 15.709 4.323 7.796 1.00 0.00 H new ATOM 0 HB ILE A 28 15.805 6.039 6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.238 6.335 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 28 17.944 4.612 4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 28 17.836 7.398 6.978 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.093 6.551 8.356 1.00 0.00 H new ATOM 0 HG23 ILE A 28 18.578 5.910 7.613 1.00 0.00 H new ATOM 0 HD11 ILE A 28 16.876 5.828 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 28 15.639 5.057 4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 28 15.937 6.806 4.133 1.00 0.00 H new ATOM 427 N TRP A 29 16.739 2.328 5.417 1.00 0.00 N ATOM 428 CA TRP A 29 16.347 1.362 4.405 1.00 0.00 C ATOM 429 C TRP A 29 16.720 -0.038 4.875 1.00 0.00 C ATOM 430 O TRP A 29 17.748 -0.255 5.518 1.00 0.00 O ATOM 431 CB TRP A 29 16.950 1.707 3.028 1.00 0.00 C ATOM 432 CG TRP A 29 18.424 1.540 2.817 1.00 0.00 C ATOM 433 CD1 TRP A 29 19.326 2.545 2.708 1.00 0.00 C ATOM 434 CD2 TRP A 29 19.170 0.302 2.591 1.00 0.00 C ATOM 435 NE1 TRP A 29 20.574 2.006 2.470 1.00 0.00 N ATOM 436 CE2 TRP A 29 20.545 0.632 2.432 1.00 0.00 C ATOM 437 CE3 TRP A 29 18.835 -1.068 2.514 1.00 0.00 C ATOM 438 CZ2 TRP A 29 21.544 -0.344 2.302 1.00 0.00 C ATOM 439 CZ3 TRP A 29 19.824 -2.059 2.367 1.00 0.00 C ATOM 440 CH2 TRP A 29 21.180 -1.699 2.280 1.00 0.00 C ATOM 0 H TRP A 29 17.724 2.262 5.674 1.00 0.00 H new ATOM 0 HA TRP A 29 15.266 1.399 4.271 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.440 1.096 2.283 1.00 0.00 H new ATOM 0 HB3 TRP A 29 16.702 2.746 2.812 1.00 0.00 H new ATOM 0 HD1 TRP A 29 19.104 3.598 2.794 1.00 0.00 H new ATOM 0 HE1 TRP A 29 21.419 2.562 2.338 1.00 0.00 H new ATOM 0 HE3 TRP A 29 17.797 -1.362 2.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 22.582 -0.056 2.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 19.540 -3.100 2.321 1.00 0.00 H new ATOM 0 HH2 TRP A 29 21.939 -2.463 2.197 1.00 0.00 H new ATOM 451 N VAL A 30 15.872 -0.991 4.522 1.00 0.00 N ATOM 452 CA VAL A 30 15.941 -2.415 4.807 1.00 0.00 C ATOM 453 C VAL A 30 15.552 -3.155 3.544 1.00 0.00 C ATOM 454 O VAL A 30 14.942 -2.593 2.637 1.00 0.00 O ATOM 455 CB VAL A 30 14.978 -2.710 5.978 1.00 0.00 C ATOM 456 CG1 VAL A 30 14.476 -4.150 6.143 1.00 0.00 C ATOM 457 CG2 VAL A 30 15.699 -2.358 7.286 1.00 0.00 C ATOM 0 H VAL A 30 15.040 -0.765 3.977 1.00 0.00 H new ATOM 0 HA VAL A 30 16.940 -2.738 5.100 1.00 0.00 H new ATOM 0 HB VAL A 30 14.096 -2.113 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 30 13.810 -4.207 7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.936 -4.452 5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.325 -4.816 6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.039 -2.558 8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 30 16.600 -2.964 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 30 15.970 -1.302 7.279 1.00 0.00 H new ATOM 467 N THR A 31 15.893 -4.432 3.502 1.00 0.00 N ATOM 468 CA THR A 31 15.536 -5.342 2.438 1.00 0.00 C ATOM 469 C THR A 31 14.986 -6.614 3.066 1.00 0.00 C ATOM 470 O THR A 31 15.180 -6.864 4.259 1.00 0.00 O ATOM 471 CB THR A 31 16.701 -5.573 1.459 1.00 0.00 C ATOM 472 OG1 THR A 31 17.855 -6.029 2.118 1.00 0.00 O ATOM 473 CG2 THR A 31 17.091 -4.325 0.667 1.00 0.00 C ATOM 0 H THR A 31 16.446 -4.875 4.236 1.00 0.00 H new ATOM 0 HA THR A 31 14.754 -4.909 1.814 1.00 0.00 H new ATOM 0 HB THR A 31 16.325 -6.328 0.769 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.088 -5.406 2.838 1.00 0.00 H new ATOM 0 HG21 THR A 31 17.918 -4.562 -0.002 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.237 -3.984 0.082 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.396 -3.538 1.356 1.00 0.00 H new ATOM 481 N PHE A 32 14.279 -7.403 2.267 1.00 0.00 N ATOM 482 CA PHE A 32 13.738 -8.697 2.629 1.00 0.00 C ATOM 483 C PHE A 32 14.090 -9.607 1.459 1.00 0.00 C ATOM 484 O PHE A 32 14.092 -9.168 0.302 1.00 0.00 O ATOM 485 CB PHE A 32 12.221 -8.609 2.864 1.00 0.00 C ATOM 486 CG PHE A 32 11.783 -7.679 3.988 1.00 0.00 C ATOM 487 CD1 PHE A 32 12.322 -7.825 5.280 1.00 0.00 C ATOM 488 CD2 PHE A 32 10.832 -6.668 3.752 1.00 0.00 C ATOM 489 CE1 PHE A 32 11.952 -6.949 6.316 1.00 0.00 C ATOM 490 CE2 PHE A 32 10.443 -5.807 4.796 1.00 0.00 C ATOM 491 CZ PHE A 32 11.011 -5.936 6.076 1.00 0.00 C ATOM 0 H PHE A 32 14.060 -7.142 1.306 1.00 0.00 H new ATOM 0 HA PHE A 32 14.151 -9.078 3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 32 11.746 -8.281 1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.846 -9.610 3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 32 13.027 -8.618 5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.400 -6.553 2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.392 -7.056 7.296 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.703 -5.042 4.612 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.725 -5.260 6.869 1.00 0.00 H new ATOM 501 N LYS A 33 14.406 -10.865 1.744 1.00 0.00 N ATOM 502 CA LYS A 33 14.851 -11.836 0.756 1.00 0.00 C ATOM 503 C LYS A 33 13.855 -12.993 0.789 1.00 0.00 C ATOM 504 O LYS A 33 12.915 -12.989 1.586 1.00 0.00 O ATOM 505 CB LYS A 33 16.279 -12.314 1.091 1.00 0.00 C ATOM 506 CG LYS A 33 17.362 -11.237 1.259 1.00 0.00 C ATOM 507 CD LYS A 33 17.958 -10.701 -0.048 1.00 0.00 C ATOM 508 CE LYS A 33 19.120 -11.552 -0.587 1.00 0.00 C ATOM 509 NZ LYS A 33 18.677 -12.712 -1.389 1.00 0.00 N ATOM 0 H LYS A 33 14.358 -11.245 2.689 1.00 0.00 H new ATOM 0 HA LYS A 33 14.886 -11.401 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.233 -12.893 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.600 -12.995 0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.938 -10.401 1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.169 -11.647 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.173 -10.652 -0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.309 -9.682 0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.768 -10.923 -1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.719 -11.907 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.450 -13.017 -2.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.416 -13.494 -0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.853 -12.443 -1.963 1.00 0.00 H new ATOM 523 N TYR A 34 14.026 -13.975 -0.087 1.00 0.00 N ATOM 524 CA TYR A 34 13.148 -15.135 -0.176 1.00 0.00 C ATOM 525 C TYR A 34 13.963 -16.396 0.064 1.00 0.00 C ATOM 526 O TYR A 34 15.092 -16.486 -0.434 1.00 0.00 O ATOM 527 CB TYR A 34 12.523 -15.176 -1.581 1.00 0.00 C ATOM 528 CG TYR A 34 11.480 -14.107 -1.816 1.00 0.00 C ATOM 529 CD1 TYR A 34 11.850 -12.748 -1.894 1.00 0.00 C ATOM 530 CD2 TYR A 34 10.125 -14.469 -1.872 1.00 0.00 C ATOM 531 CE1 TYR A 34 10.864 -11.751 -1.898 1.00 0.00 C ATOM 532 CE2 TYR A 34 9.142 -13.473 -1.935 1.00 0.00 C ATOM 533 CZ TYR A 34 9.503 -12.110 -1.902 1.00 0.00 C ATOM 534 OH TYR A 34 8.552 -11.147 -1.776 1.00 0.00 O ATOM 0 H TYR A 34 14.788 -13.988 -0.765 1.00 0.00 H new ATOM 0 HA TYR A 34 12.359 -15.070 0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 34 13.314 -15.069 -2.324 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.069 -16.154 -1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.893 -12.475 -1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.841 -15.511 -1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.148 -10.709 -1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.101 -13.751 -2.009 1.00 0.00 H new ATOM 0 HH TYR A 34 8.683 -10.465 -2.468 1.00 0.00 H new ATOM 544 N ASP A 35 13.406 -17.374 0.780 1.00 0.00 N ATOM 545 CA ASP A 35 14.029 -18.668 1.016 1.00 0.00 C ATOM 546 C ASP A 35 12.941 -19.726 1.201 1.00 0.00 C ATOM 547 O ASP A 35 12.090 -19.600 2.085 1.00 0.00 O ATOM 548 CB ASP A 35 14.870 -18.611 2.286 1.00 0.00 C ATOM 549 CG ASP A 35 15.535 -19.961 2.534 1.00 0.00 C ATOM 550 OD1 ASP A 35 16.279 -20.442 1.645 1.00 0.00 O ATOM 551 OD2 ASP A 35 15.309 -20.576 3.598 1.00 0.00 O ATOM 0 H ASP A 35 12.490 -17.282 1.219 1.00 0.00 H new ATOM 0 HA ASP A 35 14.661 -18.920 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.629 -17.834 2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.242 -18.344 3.136 1.00 0.00 H new ATOM 556 N GLY A 36 12.971 -20.787 0.393 1.00 0.00 N ATOM 557 CA GLY A 36 11.985 -21.859 0.458 1.00 0.00 C ATOM 558 C GLY A 36 10.566 -21.298 0.344 1.00 0.00 C ATOM 559 O GLY A 36 10.248 -20.587 -0.613 1.00 0.00 O ATOM 0 H GLY A 36 13.682 -20.924 -0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.164 -22.574 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.092 -22.402 1.397 1.00 0.00 H new ATOM 563 N SER A 37 9.698 -21.619 1.302 1.00 0.00 N ATOM 564 CA SER A 37 8.308 -21.174 1.342 1.00 0.00 C ATOM 565 C SER A 37 8.120 -19.964 2.265 1.00 0.00 C ATOM 566 O SER A 37 7.046 -19.820 2.862 1.00 0.00 O ATOM 567 CB SER A 37 7.379 -22.368 1.647 1.00 0.00 C ATOM 568 OG SER A 37 7.965 -23.291 2.553 1.00 0.00 O ATOM 0 H SER A 37 9.950 -22.212 2.093 1.00 0.00 H new ATOM 0 HA SER A 37 8.018 -20.805 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.442 -21.999 2.064 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.134 -22.881 0.717 1.00 0.00 H new ATOM 0 HG SER A 37 7.341 -24.028 2.718 1.00 0.00 H new ATOM 574 N THR A 38 9.131 -19.094 2.427 1.00 0.00 N ATOM 575 CA THR A 38 8.920 -17.907 3.229 1.00 0.00 C ATOM 576 C THR A 38 9.791 -16.707 2.836 1.00 0.00 C ATOM 577 O THR A 38 10.746 -16.815 2.063 1.00 0.00 O ATOM 578 CB THR A 38 9.053 -18.337 4.701 1.00 0.00 C ATOM 579 OG1 THR A 38 8.403 -17.416 5.546 1.00 0.00 O ATOM 580 CG2 THR A 38 10.491 -18.517 5.183 1.00 0.00 C ATOM 0 H THR A 38 10.063 -19.194 2.025 1.00 0.00 H new ATOM 0 HA THR A 38 7.921 -17.511 3.046 1.00 0.00 H new ATOM 0 HB THR A 38 8.579 -19.318 4.750 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.612 -17.057 5.092 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.489 -18.820 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.982 -19.284 4.584 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.030 -17.575 5.079 1.00 0.00 H new ATOM 588 N ILE A 39 9.392 -15.542 3.355 1.00 0.00 N ATOM 589 CA ILE A 39 10.092 -14.274 3.221 1.00 0.00 C ATOM 590 C ILE A 39 11.040 -14.255 4.417 1.00 0.00 C ATOM 591 O ILE A 39 10.613 -14.583 5.529 1.00 0.00 O ATOM 592 CB ILE A 39 9.131 -13.058 3.291 1.00 0.00 C ATOM 593 CG1 ILE A 39 7.860 -13.166 2.421 1.00 0.00 C ATOM 594 CG2 ILE A 39 9.891 -11.766 2.945 1.00 0.00 C ATOM 595 CD1 ILE A 39 8.085 -13.614 0.985 1.00 0.00 C ATOM 0 H ILE A 39 8.535 -15.460 3.902 1.00 0.00 H new ATOM 0 HA ILE A 39 10.594 -14.195 2.257 1.00 0.00 H new ATOM 0 HB ILE A 39 8.773 -13.041 4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.173 -13.865 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.367 -12.194 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.209 -10.918 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.705 -11.621 3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.299 -11.843 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.129 -13.656 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.742 -12.905 0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.545 -14.602 0.980 1.00 0.00 H new ATOM 607 N VAL A 40 12.291 -13.874 4.195 1.00 0.00 N ATOM 608 CA VAL A 40 13.335 -13.809 5.217 1.00 0.00 C ATOM 609 C VAL A 40 13.895 -12.376 5.282 1.00 0.00 C ATOM 610 O VAL A 40 13.575 -11.570 4.398 1.00 0.00 O ATOM 611 CB VAL A 40 14.366 -14.930 4.961 1.00 0.00 C ATOM 612 CG1 VAL A 40 13.670 -16.275 4.775 1.00 0.00 C ATOM 613 CG2 VAL A 40 15.238 -14.699 3.737 1.00 0.00 C ATOM 0 H VAL A 40 12.620 -13.592 3.272 1.00 0.00 H new ATOM 0 HA VAL A 40 12.949 -14.004 6.218 1.00 0.00 H new ATOM 0 HB VAL A 40 15.005 -14.926 5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.416 -17.049 4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.103 -16.518 5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.993 -16.220 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.935 -15.529 3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.609 -14.632 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.796 -13.770 3.858 1.00 0.00 H new ATOM 623 N PRO A 41 14.679 -11.994 6.309 1.00 0.00 N ATOM 624 CA PRO A 41 15.273 -10.667 6.346 1.00 0.00 C ATOM 625 C PRO A 41 16.299 -10.484 5.220 1.00 0.00 C ATOM 626 O PRO A 41 16.668 -11.416 4.506 1.00 0.00 O ATOM 627 CB PRO A 41 15.869 -10.506 7.750 1.00 0.00 C ATOM 628 CG PRO A 41 16.157 -11.938 8.181 1.00 0.00 C ATOM 629 CD PRO A 41 15.036 -12.733 7.511 1.00 0.00 C ATOM 0 HA PRO A 41 14.535 -9.885 6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.776 -9.902 7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 41 15.171 -10.015 8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.141 -12.269 7.848 1.00 0.00 H new ATOM 0 HG3 PRO A 41 16.135 -12.045 9.266 1.00 0.00 H new ATOM 0 HD2 PRO A 41 15.367 -13.742 7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.178 -12.833 8.176 1.00 0.00 H new ATOM 637 N GLY A 42 16.743 -9.247 5.044 1.00 0.00 N ATOM 638 CA GLY A 42 17.768 -8.844 4.101 1.00 0.00 C ATOM 639 C GLY A 42 18.742 -7.886 4.774 1.00 0.00 C ATOM 640 O GLY A 42 18.778 -7.760 6.002 1.00 0.00 O ATOM 0 H GLY A 42 16.378 -8.462 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.302 -9.721 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 42 17.310 -8.364 3.236 1.00 0.00 H new ATOM 644 N GLU A 43 19.583 -7.249 3.973 1.00 0.00 N ATOM 645 CA GLU A 43 20.529 -6.233 4.409 1.00 0.00 C ATOM 646 C GLU A 43 19.787 -4.928 4.701 1.00 0.00 C ATOM 647 O GLU A 43 18.599 -4.781 4.400 1.00 0.00 O ATOM 648 CB GLU A 43 21.597 -6.057 3.323 1.00 0.00 C ATOM 649 CG GLU A 43 22.508 -7.288 3.300 1.00 0.00 C ATOM 650 CD GLU A 43 23.333 -7.386 2.025 1.00 0.00 C ATOM 651 OE1 GLU A 43 24.118 -6.457 1.741 1.00 0.00 O ATOM 652 OE2 GLU A 43 23.194 -8.397 1.289 1.00 0.00 O ATOM 0 H GLU A 43 19.627 -7.431 2.970 1.00 0.00 H new ATOM 0 HA GLU A 43 21.024 -6.538 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.124 -5.923 2.350 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.185 -5.160 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 43 23.178 -7.255 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.900 -8.187 3.404 1.00 0.00 H new ATOM 659 N GLN A 44 20.499 -3.977 5.294 1.00 0.00 N ATOM 660 CA GLN A 44 19.974 -2.695 5.732 1.00 0.00 C ATOM 661 C GLN A 44 21.040 -1.609 5.583 1.00 0.00 C ATOM 662 O GLN A 44 22.220 -1.921 5.393 1.00 0.00 O ATOM 663 CB GLN A 44 19.474 -2.823 7.183 1.00 0.00 C ATOM 664 CG GLN A 44 20.486 -3.350 8.221 1.00 0.00 C ATOM 665 CD GLN A 44 20.497 -4.879 8.317 1.00 0.00 C ATOM 666 OE1 GLN A 44 19.586 -5.486 8.880 1.00 0.00 O ATOM 667 NE2 GLN A 44 21.510 -5.549 7.801 1.00 0.00 N ATOM 0 H GLN A 44 21.494 -4.084 5.489 1.00 0.00 H new ATOM 0 HA GLN A 44 19.130 -2.402 5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 44 19.129 -1.843 7.512 1.00 0.00 H new ATOM 0 HB3 GLN A 44 18.607 -3.484 7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 44 21.484 -3.000 7.958 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.248 -2.931 9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 44 22.267 -5.050 7.334 1.00 0.00 H new ATOM 0 HE22 GLN A 44 21.536 -6.566 7.869 1.00 0.00 H new ATOM 676 N GLY A 45 20.656 -0.341 5.716 1.00 0.00 N ATOM 677 CA GLY A 45 21.587 0.764 5.593 1.00 0.00 C ATOM 678 C GLY A 45 20.935 2.114 5.847 1.00 0.00 C ATOM 679 O GLY A 45 19.748 2.216 6.172 1.00 0.00 O ATOM 0 H GLY A 45 19.696 -0.058 5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.407 0.623 6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 45 22.022 0.758 4.593 1.00 0.00 H new ATOM 683 N ALA A 46 21.748 3.157 5.703 1.00 0.00 N ATOM 684 CA ALA A 46 21.359 4.555 5.815 1.00 0.00 C ATOM 685 C ALA A 46 21.587 5.292 4.487 1.00 0.00 C ATOM 686 O ALA A 46 20.940 6.305 4.238 1.00 0.00 O ATOM 687 CB ALA A 46 22.188 5.216 6.920 1.00 0.00 C ATOM 0 H ALA A 46 22.740 3.043 5.496 1.00 0.00 H new ATOM 0 HA ALA A 46 20.298 4.609 6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.903 6.264 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.005 4.707 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.247 5.148 6.670 1.00 0.00 H new ATOM 693 N GLU A 47 22.494 4.804 3.635 1.00 0.00 N ATOM 694 CA GLU A 47 22.866 5.435 2.373 1.00 0.00 C ATOM 695 C GLU A 47 22.306 4.574 1.245 1.00 0.00 C ATOM 696 O GLU A 47 22.643 3.389 1.170 1.00 0.00 O ATOM 697 CB GLU A 47 24.399 5.562 2.315 1.00 0.00 C ATOM 698 CG GLU A 47 24.921 6.066 0.963 1.00 0.00 C ATOM 699 CD GLU A 47 24.215 7.347 0.525 1.00 0.00 C ATOM 700 OE1 GLU A 47 24.531 8.423 1.068 1.00 0.00 O ATOM 701 OE2 GLU A 47 23.301 7.245 -0.329 1.00 0.00 O ATOM 0 H GLU A 47 23.001 3.937 3.812 1.00 0.00 H new ATOM 0 HA GLU A 47 22.455 6.440 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 47 24.729 6.243 3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.844 4.590 2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 47 25.994 6.247 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 47 24.776 5.294 0.207 1.00 0.00 H new ATOM 708 N TYR A 48 21.488 5.151 0.362 1.00 0.00 N ATOM 709 CA TYR A 48 20.819 4.417 -0.707 1.00 0.00 C ATOM 710 C TYR A 48 21.756 4.251 -1.907 1.00 0.00 C ATOM 711 O TYR A 48 21.516 3.355 -2.701 1.00 0.00 O ATOM 712 CB TYR A 48 19.539 5.159 -1.145 1.00 0.00 C ATOM 713 CG TYR A 48 18.672 4.468 -2.201 1.00 0.00 C ATOM 714 CD1 TYR A 48 19.020 4.532 -3.567 1.00 0.00 C ATOM 715 CD2 TYR A 48 17.462 3.842 -1.841 1.00 0.00 C ATOM 716 CE1 TYR A 48 18.196 3.971 -4.559 1.00 0.00 C ATOM 717 CE2 TYR A 48 16.629 3.273 -2.828 1.00 0.00 C ATOM 718 CZ TYR A 48 16.993 3.328 -4.195 1.00 0.00 C ATOM 719 OH TYR A 48 16.176 2.773 -5.138 1.00 0.00 O ATOM 0 H TYR A 48 21.272 6.148 0.371 1.00 0.00 H new ATOM 0 HA TYR A 48 20.548 3.431 -0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 48 18.926 5.331 -0.260 1.00 0.00 H new ATOM 0 HB3 TYR A 48 19.827 6.138 -1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 48 19.938 5.022 -3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 48 17.170 3.797 -0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 48 18.483 4.032 -5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 48 15.707 2.792 -2.538 1.00 0.00 H new ATOM 0 HH TYR A 48 16.188 3.326 -5.947 1.00 0.00 H new ATOM 729 N GLN A 49 22.866 4.990 -2.035 1.00 0.00 N ATOM 730 CA GLN A 49 23.781 4.848 -3.166 1.00 0.00 C ATOM 731 C GLN A 49 24.248 3.391 -3.340 1.00 0.00 C ATOM 732 O GLN A 49 24.395 2.895 -4.457 1.00 0.00 O ATOM 733 CB GLN A 49 24.946 5.827 -2.976 1.00 0.00 C ATOM 734 CG GLN A 49 25.771 5.916 -4.264 1.00 0.00 C ATOM 735 CD GLN A 49 26.826 7.023 -4.292 1.00 0.00 C ATOM 736 OE1 GLN A 49 27.855 6.883 -4.949 1.00 0.00 O ATOM 737 NE2 GLN A 49 26.605 8.156 -3.642 1.00 0.00 N ATOM 0 H GLN A 49 23.151 5.699 -1.359 1.00 0.00 H new ATOM 0 HA GLN A 49 23.265 5.097 -4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 49 24.564 6.813 -2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 49 25.578 5.497 -2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.268 4.959 -4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.090 6.065 -5.102 1.00 0.00 H new ATOM 0 HE21 GLN A 49 25.751 8.273 -3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.289 8.912 -3.687 1.00 0.00 H new ATOM 746 N HIS A 50 24.410 2.680 -2.224 1.00 0.00 N ATOM 747 CA HIS A 50 24.763 1.268 -2.217 1.00 0.00 C ATOM 748 C HIS A 50 23.655 0.395 -2.804 1.00 0.00 C ATOM 749 O HIS A 50 23.964 -0.599 -3.444 1.00 0.00 O ATOM 750 CB HIS A 50 25.092 0.828 -0.786 1.00 0.00 C ATOM 751 CG HIS A 50 26.230 1.635 -0.228 1.00 0.00 C ATOM 752 ND1 HIS A 50 26.116 2.725 0.608 1.00 0.00 N ATOM 753 CD2 HIS A 50 27.531 1.547 -0.640 1.00 0.00 C ATOM 754 CE1 HIS A 50 27.335 3.288 0.692 1.00 0.00 C ATOM 755 NE2 HIS A 50 28.226 2.605 -0.049 1.00 0.00 N ATOM 0 H HIS A 50 24.298 3.077 -1.291 1.00 0.00 H new ATOM 0 HA HIS A 50 25.640 1.138 -2.851 1.00 0.00 H new ATOM 0 HB2 HIS A 50 24.212 0.946 -0.153 1.00 0.00 H new ATOM 0 HB3 HIS A 50 25.352 -0.230 -0.777 1.00 0.00 H new ATOM 0 HD2 HIS A 50 27.944 0.799 -1.300 1.00 0.00 H new ATOM 0 HE1 HIS A 50 27.566 4.168 1.274 1.00 0.00 H new ATOM 0 HE2 HIS A 50 29.217 2.818 -0.158 1.00 0.00 H new ATOM 763 N PHE A 51 22.378 0.749 -2.641 1.00 0.00 N ATOM 764 CA PHE A 51 21.225 0.013 -3.157 1.00 0.00 C ATOM 765 C PHE A 51 21.398 -0.226 -4.660 1.00 0.00 C ATOM 766 O PHE A 51 21.214 -1.348 -5.134 1.00 0.00 O ATOM 767 CB PHE A 51 19.941 0.808 -2.844 1.00 0.00 C ATOM 768 CG PHE A 51 18.604 0.079 -2.838 1.00 0.00 C ATOM 769 CD1 PHE A 51 18.233 -0.794 -3.878 1.00 0.00 C ATOM 770 CD2 PHE A 51 17.654 0.400 -1.850 1.00 0.00 C ATOM 771 CE1 PHE A 51 16.928 -1.300 -3.967 1.00 0.00 C ATOM 772 CE2 PHE A 51 16.340 -0.090 -1.943 1.00 0.00 C ATOM 773 CZ PHE A 51 15.973 -0.925 -3.012 1.00 0.00 C ATOM 0 H PHE A 51 22.110 1.588 -2.126 1.00 0.00 H new ATOM 0 HA PHE A 51 21.147 -0.962 -2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.069 1.268 -1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 51 19.871 1.618 -3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 51 18.965 -1.079 -4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.936 1.026 -1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.660 -1.975 -4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.611 0.176 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 51 14.956 -1.278 -3.098 1.00 0.00 H new ATOM 783 N ILE A 52 21.800 0.795 -5.420 1.00 0.00 N ATOM 784 CA ILE A 52 21.954 0.656 -6.865 1.00 0.00 C ATOM 785 C ILE A 52 23.048 -0.367 -7.205 1.00 0.00 C ATOM 786 O ILE A 52 22.932 -1.102 -8.184 1.00 0.00 O ATOM 787 CB ILE A 52 22.171 2.031 -7.535 1.00 0.00 C ATOM 788 CG1 ILE A 52 21.162 3.110 -7.070 1.00 0.00 C ATOM 789 CG2 ILE A 52 21.996 1.860 -9.049 1.00 0.00 C ATOM 790 CD1 ILE A 52 21.767 4.104 -6.088 1.00 0.00 C ATOM 0 H ILE A 52 22.023 1.722 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 52 21.027 0.260 -7.280 1.00 0.00 H new ATOM 0 HB ILE A 52 23.170 2.367 -7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 52 20.788 3.649 -7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.306 2.622 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 52 22.145 2.820 -9.543 1.00 0.00 H new ATOM 0 HG22 ILE A 52 22.728 1.143 -9.421 1.00 0.00 H new ATOM 0 HG23 ILE A 52 20.991 1.495 -9.260 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.012 4.835 -5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 52 22.117 3.574 -5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.606 4.616 -6.559 1.00 0.00 H new ATOM 802 N GLN A 53 24.083 -0.454 -6.373 1.00 0.00 N ATOM 803 CA GLN A 53 25.203 -1.373 -6.527 1.00 0.00 C ATOM 804 C GLN A 53 24.815 -2.776 -6.024 1.00 0.00 C ATOM 805 O GLN A 53 25.341 -3.792 -6.485 1.00 0.00 O ATOM 806 CB GLN A 53 26.417 -0.775 -5.785 1.00 0.00 C ATOM 807 CG GLN A 53 26.734 0.640 -6.318 1.00 0.00 C ATOM 808 CD GLN A 53 27.809 1.405 -5.552 1.00 0.00 C ATOM 809 OE1 GLN A 53 27.972 1.280 -4.339 1.00 0.00 O ATOM 810 NE2 GLN A 53 28.517 2.273 -6.257 1.00 0.00 N ATOM 0 H GLN A 53 24.166 0.135 -5.544 1.00 0.00 H new ATOM 0 HA GLN A 53 25.472 -1.496 -7.576 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.211 -0.729 -4.716 1.00 0.00 H new ATOM 0 HB3 GLN A 53 27.285 -1.422 -5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.045 0.556 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 53 25.816 1.228 -6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.364 2.359 -7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.215 2.856 -5.795 1.00 0.00 H new ATOM 819 N GLN A 54 23.862 -2.854 -5.092 1.00 0.00 N ATOM 820 CA GLN A 54 23.306 -4.085 -4.556 1.00 0.00 C ATOM 821 C GLN A 54 22.419 -4.762 -5.597 1.00 0.00 C ATOM 822 O GLN A 54 22.484 -5.985 -5.706 1.00 0.00 O ATOM 823 CB GLN A 54 22.507 -3.798 -3.276 1.00 0.00 C ATOM 824 CG GLN A 54 23.404 -3.341 -2.118 1.00 0.00 C ATOM 825 CD GLN A 54 23.888 -4.523 -1.307 1.00 0.00 C ATOM 826 OE1 GLN A 54 24.978 -5.038 -1.546 1.00 0.00 O ATOM 827 NE2 GLN A 54 23.078 -4.987 -0.375 1.00 0.00 N ATOM 0 H GLN A 54 23.443 -2.022 -4.677 1.00 0.00 H new ATOM 0 HA GLN A 54 24.126 -4.759 -4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 54 21.762 -3.029 -3.480 1.00 0.00 H new ATOM 0 HB3 GLN A 54 21.965 -4.696 -2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.259 -2.791 -2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.852 -2.656 -1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 54 22.181 -4.532 -0.206 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.349 -5.801 0.177 1.00 0.00 H new ATOM 836 N CYS A 55 21.638 -3.998 -6.369 1.00 0.00 N ATOM 837 CA CYS A 55 20.700 -4.501 -7.365 1.00 0.00 C ATOM 838 C CYS A 55 21.371 -5.504 -8.300 1.00 0.00 C ATOM 839 O CYS A 55 22.304 -5.179 -9.037 1.00 0.00 O ATOM 840 CB CYS A 55 20.082 -3.343 -8.143 1.00 0.00 C ATOM 841 SG CYS A 55 18.916 -2.472 -7.067 1.00 0.00 S ATOM 0 H CYS A 55 21.646 -2.980 -6.312 1.00 0.00 H new ATOM 0 HA CYS A 55 19.899 -5.029 -6.847 1.00 0.00 H new ATOM 0 HB2 CYS A 55 20.860 -2.661 -8.486 1.00 0.00 H new ATOM 0 HB3 CYS A 55 19.570 -3.715 -9.031 1.00 0.00 H new ATOM 0 HG CYS A 55 19.572 -1.705 -6.247 1.00 0.00 H new ATOM 847 N THR A 56 20.915 -6.744 -8.217 1.00 0.00 N ATOM 848 CA THR A 56 21.393 -7.912 -8.909 1.00 0.00 C ATOM 849 C THR A 56 20.768 -8.008 -10.296 1.00 0.00 C ATOM 850 O THR A 56 19.588 -7.720 -10.467 1.00 0.00 O ATOM 851 CB THR A 56 20.968 -9.089 -8.030 1.00 0.00 C ATOM 852 OG1 THR A 56 19.661 -8.843 -7.502 1.00 0.00 O ATOM 853 CG2 THR A 56 21.940 -9.255 -6.855 1.00 0.00 C ATOM 0 H THR A 56 20.130 -6.969 -7.606 1.00 0.00 H new ATOM 0 HA THR A 56 22.472 -7.890 -9.063 1.00 0.00 H new ATOM 0 HB THR A 56 20.970 -9.994 -8.638 1.00 0.00 H new ATOM 0 HG1 THR A 56 18.986 -9.161 -8.138 1.00 0.00 H new ATOM 0 HG21 THR A 56 21.625 -10.097 -6.238 1.00 0.00 H new ATOM 0 HG22 THR A 56 22.944 -9.441 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 56 21.943 -8.346 -6.254 1.00 0.00 H new ATOM 861 N ASP A 57 21.556 -8.470 -11.260 1.00 0.00 N ATOM 862 CA ASP A 57 21.208 -8.595 -12.669 1.00 0.00 C ATOM 863 C ASP A 57 19.877 -9.326 -12.894 1.00 0.00 C ATOM 864 O ASP A 57 18.963 -8.760 -13.498 1.00 0.00 O ATOM 865 CB ASP A 57 22.386 -9.230 -13.436 1.00 0.00 C ATOM 866 CG ASP A 57 23.017 -10.448 -12.749 1.00 0.00 C ATOM 867 OD1 ASP A 57 23.918 -10.248 -11.893 1.00 0.00 O ATOM 868 OD2 ASP A 57 22.576 -11.601 -12.976 1.00 0.00 O ATOM 0 H ASP A 57 22.507 -8.785 -11.068 1.00 0.00 H new ATOM 0 HA ASP A 57 21.039 -7.596 -13.072 1.00 0.00 H new ATOM 0 HB2 ASP A 57 22.039 -9.527 -14.426 1.00 0.00 H new ATOM 0 HB3 ASP A 57 23.156 -8.473 -13.583 1.00 0.00 H new ATOM 873 N ASP A 58 19.755 -10.573 -12.448 1.00 0.00 N ATOM 874 CA ASP A 58 18.585 -11.420 -12.618 1.00 0.00 C ATOM 875 C ASP A 58 17.770 -11.615 -11.340 1.00 0.00 C ATOM 876 O ASP A 58 16.545 -11.778 -11.429 1.00 0.00 O ATOM 877 CB ASP A 58 19.022 -12.765 -13.204 1.00 0.00 C ATOM 878 CG ASP A 58 17.910 -13.811 -13.195 1.00 0.00 C ATOM 879 OD1 ASP A 58 17.760 -14.521 -12.174 1.00 0.00 O ATOM 880 OD2 ASP A 58 17.286 -14.063 -14.250 1.00 0.00 O ATOM 0 H ASP A 58 20.504 -11.039 -11.936 1.00 0.00 H new ATOM 0 HA ASP A 58 17.913 -10.908 -13.307 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.363 -12.615 -14.228 1.00 0.00 H new ATOM 0 HB3 ASP A 58 19.873 -13.143 -12.637 1.00 0.00 H new ATOM 885 N VAL A 59 18.387 -11.660 -10.149 1.00 0.00 N ATOM 886 CA VAL A 59 17.587 -11.935 -8.979 1.00 0.00 C ATOM 887 C VAL A 59 16.732 -10.722 -8.655 1.00 0.00 C ATOM 888 O VAL A 59 17.090 -9.578 -8.943 1.00 0.00 O ATOM 889 CB VAL A 59 18.386 -12.449 -7.782 1.00 0.00 C ATOM 890 CG1 VAL A 59 19.498 -13.401 -8.188 1.00 0.00 C ATOM 891 CG2 VAL A 59 18.872 -11.496 -6.699 1.00 0.00 C ATOM 0 H VAL A 59 19.384 -11.516 -9.988 1.00 0.00 H new ATOM 0 HA VAL A 59 16.929 -12.771 -9.217 1.00 0.00 H new ATOM 0 HB VAL A 59 17.577 -12.963 -7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 59 20.033 -13.735 -7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 59 19.070 -14.263 -8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 59 20.190 -12.889 -8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 59 19.418 -12.056 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.530 -10.748 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 59 18.017 -11.001 -6.240 1.00 0.00 H new ATOM 901 N ARG A 60 15.627 -10.994 -7.976 1.00 0.00 N ATOM 902 CA ARG A 60 14.639 -10.020 -7.570 1.00 0.00 C ATOM 903 C ARG A 60 14.849 -9.771 -6.079 1.00 0.00 C ATOM 904 O ARG A 60 15.353 -10.652 -5.371 1.00 0.00 O ATOM 905 CB ARG A 60 13.248 -10.549 -7.967 1.00 0.00 C ATOM 906 CG ARG A 60 12.893 -11.956 -7.436 1.00 0.00 C ATOM 907 CD ARG A 60 12.794 -13.026 -8.538 1.00 0.00 C ATOM 908 NE ARG A 60 14.056 -13.263 -9.274 1.00 0.00 N ATOM 909 CZ ARG A 60 14.783 -14.389 -9.257 1.00 0.00 C ATOM 910 NH1 ARG A 60 14.690 -15.274 -8.268 1.00 0.00 N ATOM 911 NH2 ARG A 60 15.643 -14.621 -10.237 1.00 0.00 N ATOM 0 H ARG A 60 15.390 -11.942 -7.683 1.00 0.00 H new ATOM 0 HA ARG A 60 14.732 -9.054 -8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.496 -9.845 -7.611 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.181 -10.563 -9.055 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.647 -12.262 -6.711 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.943 -11.905 -6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.468 -13.964 -8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.023 -12.728 -9.249 1.00 0.00 H new ATOM 0 HE ARG A 60 14.406 -12.497 -9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.051 -15.106 -7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.258 -16.121 -8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.747 -13.946 -10.995 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.201 -15.475 -10.234 1.00 0.00 H new ATOM 925 N LEU A 61 14.514 -8.581 -5.597 1.00 0.00 N ATOM 926 CA LEU A 61 14.737 -8.156 -4.216 1.00 0.00 C ATOM 927 C LEU A 61 13.620 -7.217 -3.817 1.00 0.00 C ATOM 928 O LEU A 61 12.974 -6.618 -4.673 1.00 0.00 O ATOM 929 CB LEU A 61 16.107 -7.462 -4.129 1.00 0.00 C ATOM 930 CG LEU A 61 16.553 -6.860 -2.782 1.00 0.00 C ATOM 931 CD1 LEU A 61 16.767 -7.971 -1.752 1.00 0.00 C ATOM 932 CD2 LEU A 61 17.871 -6.102 -2.977 1.00 0.00 C ATOM 0 H LEU A 61 14.068 -7.864 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 61 14.737 -9.008 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.863 -8.186 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.118 -6.661 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 61 15.778 -6.182 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.082 -7.533 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.835 -8.517 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.537 -8.655 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.189 -5.675 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.635 -6.789 -3.340 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.727 -5.302 -3.704 1.00 0.00 H new ATOM 944 N PHE A 62 13.390 -7.102 -2.518 1.00 0.00 N ATOM 945 CA PHE A 62 12.367 -6.195 -1.992 1.00 0.00 C ATOM 946 C PHE A 62 13.010 -5.330 -0.912 1.00 0.00 C ATOM 947 O PHE A 62 13.848 -5.840 -0.164 1.00 0.00 O ATOM 948 CB PHE A 62 11.173 -6.995 -1.451 1.00 0.00 C ATOM 949 CG PHE A 62 10.284 -7.706 -2.466 1.00 0.00 C ATOM 950 CD1 PHE A 62 10.789 -8.696 -3.334 1.00 0.00 C ATOM 951 CD2 PHE A 62 8.901 -7.443 -2.475 1.00 0.00 C ATOM 952 CE1 PHE A 62 9.936 -9.408 -4.193 1.00 0.00 C ATOM 953 CE2 PHE A 62 8.038 -8.177 -3.309 1.00 0.00 C ATOM 954 CZ PHE A 62 8.557 -9.163 -4.164 1.00 0.00 C ATOM 0 H PHE A 62 13.896 -7.624 -1.803 1.00 0.00 H new ATOM 0 HA PHE A 62 11.982 -5.550 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.556 -7.743 -0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.547 -6.315 -0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.848 -8.910 -3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.499 -6.671 -1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.342 -10.142 -4.874 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.976 -7.982 -3.292 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.894 -9.732 -4.799 1.00 0.00 H new ATOM 964 N ALA A 63 12.637 -4.047 -0.815 1.00 0.00 N ATOM 965 CA ALA A 63 13.230 -3.099 0.116 1.00 0.00 C ATOM 966 C ALA A 63 12.182 -2.223 0.781 1.00 0.00 C ATOM 967 O ALA A 63 11.420 -1.552 0.097 1.00 0.00 O ATOM 968 CB ALA A 63 14.255 -2.229 -0.602 1.00 0.00 C ATOM 0 H ALA A 63 11.902 -3.640 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 63 13.724 -3.675 0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.692 -1.523 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.041 -2.860 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.766 -1.680 -1.407 1.00 0.00 H new ATOM 974 N PHE A 64 12.148 -2.214 2.108 1.00 0.00 N ATOM 975 CA PHE A 64 11.269 -1.375 2.906 1.00 0.00 C ATOM 976 C PHE A 64 12.104 -0.151 3.271 1.00 0.00 C ATOM 977 O PHE A 64 13.176 -0.301 3.861 1.00 0.00 O ATOM 978 CB PHE A 64 10.825 -2.211 4.114 1.00 0.00 C ATOM 979 CG PHE A 64 9.981 -1.506 5.157 1.00 0.00 C ATOM 980 CD1 PHE A 64 8.730 -0.960 4.811 1.00 0.00 C ATOM 981 CD2 PHE A 64 10.422 -1.448 6.494 1.00 0.00 C ATOM 982 CE1 PHE A 64 7.939 -0.340 5.794 1.00 0.00 C ATOM 983 CE2 PHE A 64 9.641 -0.802 7.468 1.00 0.00 C ATOM 984 CZ PHE A 64 8.408 -0.233 7.112 1.00 0.00 C ATOM 0 H PHE A 64 12.752 -2.810 2.674 1.00 0.00 H new ATOM 0 HA PHE A 64 10.362 -1.039 2.404 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.263 -3.070 3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 64 11.717 -2.600 4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.379 -1.017 3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.362 -1.901 6.771 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.968 0.055 5.534 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.989 -0.743 8.489 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.820 0.288 7.853 1.00 0.00 H new ATOM 994 N VAL A 65 11.633 1.050 2.934 1.00 0.00 N ATOM 995 CA VAL A 65 12.376 2.290 3.138 1.00 0.00 C ATOM 996 C VAL A 65 11.438 3.357 3.696 1.00 0.00 C ATOM 997 O VAL A 65 10.261 3.406 3.323 1.00 0.00 O ATOM 998 CB VAL A 65 12.973 2.730 1.777 1.00 0.00 C ATOM 999 CG1 VAL A 65 13.920 3.927 1.928 1.00 0.00 C ATOM 1000 CG2 VAL A 65 13.738 1.589 1.079 1.00 0.00 C ATOM 0 H VAL A 65 10.717 1.189 2.508 1.00 0.00 H new ATOM 0 HA VAL A 65 13.185 2.144 3.853 1.00 0.00 H new ATOM 0 HB VAL A 65 12.119 3.016 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 65 14.316 4.203 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 65 13.375 4.771 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.743 3.659 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.137 1.946 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.558 1.258 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.060 0.755 0.897 1.00 0.00 H new ATOM 1010 N ARG A 66 11.933 4.214 4.597 1.00 0.00 N ATOM 1011 CA ARG A 66 11.138 5.321 5.112 1.00 0.00 C ATOM 1012 C ARG A 66 11.352 6.550 4.236 1.00 0.00 C ATOM 1013 O ARG A 66 12.484 6.852 3.866 1.00 0.00 O ATOM 1014 CB ARG A 66 11.438 5.566 6.595 1.00 0.00 C ATOM 1015 CG ARG A 66 10.462 6.601 7.186 1.00 0.00 C ATOM 1016 CD ARG A 66 11.097 7.989 7.329 1.00 0.00 C ATOM 1017 NE ARG A 66 11.709 8.099 8.661 1.00 0.00 N ATOM 1018 CZ ARG A 66 11.225 8.808 9.681 1.00 0.00 C ATOM 1019 NH1 ARG A 66 10.390 9.825 9.470 1.00 0.00 N ATOM 1020 NH2 ARG A 66 11.572 8.444 10.904 1.00 0.00 N ATOM 0 H ARG A 66 12.877 4.158 4.980 1.00 0.00 H new ATOM 0 HA ARG A 66 10.078 5.073 5.065 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.359 4.629 7.146 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.463 5.919 6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.581 6.672 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.121 6.258 8.163 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.849 8.141 6.555 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.342 8.764 7.196 1.00 0.00 H new ATOM 0 HE ARG A 66 12.578 7.589 8.818 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.114 10.069 8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.027 10.359 10.260 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.190 7.645 11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.221 8.963 11.709 1.00 0.00 H new ATOM 1034 N PHE A 67 10.267 7.249 3.911 1.00 0.00 N ATOM 1035 CA PHE A 67 10.218 8.449 3.089 1.00 0.00 C ATOM 1036 C PHE A 67 9.270 9.453 3.776 1.00 0.00 C ATOM 1037 O PHE A 67 8.554 9.101 4.719 1.00 0.00 O ATOM 1038 CB PHE A 67 9.759 7.991 1.687 1.00 0.00 C ATOM 1039 CG PHE A 67 10.076 8.917 0.534 1.00 0.00 C ATOM 1040 CD1 PHE A 67 11.301 8.806 -0.153 1.00 0.00 C ATOM 1041 CD2 PHE A 67 9.113 9.838 0.091 1.00 0.00 C ATOM 1042 CE1 PHE A 67 11.585 9.666 -1.226 1.00 0.00 C ATOM 1043 CE2 PHE A 67 9.397 10.698 -0.980 1.00 0.00 C ATOM 1044 CZ PHE A 67 10.645 10.635 -1.618 1.00 0.00 C ATOM 0 H PHE A 67 9.341 6.972 4.237 1.00 0.00 H new ATOM 0 HA PHE A 67 11.174 8.961 2.977 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.213 7.022 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.680 7.839 1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 67 12.022 8.059 0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.150 9.884 0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 67 12.526 9.583 -1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.655 11.409 -1.313 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.883 11.330 -2.409 1.00 0.00 H new ATOM 1054 N THR A 68 9.218 10.694 3.298 1.00 0.00 N ATOM 1055 CA THR A 68 8.328 11.752 3.771 1.00 0.00 C ATOM 1056 C THR A 68 7.661 12.450 2.582 1.00 0.00 C ATOM 1057 O THR A 68 8.311 12.799 1.592 1.00 0.00 O ATOM 1058 CB THR A 68 9.110 12.708 4.701 1.00 0.00 C ATOM 1059 OG1 THR A 68 9.180 12.146 5.999 1.00 0.00 O ATOM 1060 CG2 THR A 68 8.547 14.130 4.815 1.00 0.00 C ATOM 0 H THR A 68 9.822 11.004 2.536 1.00 0.00 H new ATOM 0 HA THR A 68 7.516 11.334 4.366 1.00 0.00 H new ATOM 0 HB THR A 68 10.091 12.813 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.309 12.233 6.440 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.171 14.715 5.491 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.540 14.598 3.831 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.530 14.088 5.204 1.00 0.00 H new ATOM 1128 N SER A 74 3.336 19.818 11.045 1.00 0.00 N ATOM 1129 CA SER A 74 4.191 18.719 11.419 1.00 0.00 C ATOM 1130 C SER A 74 4.475 17.944 10.123 1.00 0.00 C ATOM 1131 O SER A 74 3.607 17.793 9.254 1.00 0.00 O ATOM 1132 CB SER A 74 3.469 17.817 12.423 1.00 0.00 C ATOM 1133 OG SER A 74 3.038 18.553 13.548 1.00 0.00 O ATOM 0 HA SER A 74 5.112 19.066 11.887 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.612 17.346 11.942 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.136 17.016 12.742 1.00 0.00 H new ATOM 0 HG SER A 74 2.934 19.496 13.302 1.00 0.00 H new ATOM 1139 N LYS A 75 5.693 17.427 9.980 1.00 0.00 N ATOM 1140 CA LYS A 75 6.062 16.598 8.832 1.00 0.00 C ATOM 1141 C LYS A 75 5.284 15.291 8.934 1.00 0.00 C ATOM 1142 O LYS A 75 4.988 14.839 10.042 1.00 0.00 O ATOM 1143 CB LYS A 75 7.560 16.258 8.877 1.00 0.00 C ATOM 1144 CG LYS A 75 8.519 17.466 8.964 1.00 0.00 C ATOM 1145 CD LYS A 75 9.805 17.087 9.714 1.00 0.00 C ATOM 1146 CE LYS A 75 10.611 16.021 8.961 1.00 0.00 C ATOM 1147 NZ LYS A 75 11.621 15.369 9.818 1.00 0.00 N ATOM 0 H LYS A 75 6.448 17.569 10.651 1.00 0.00 H new ATOM 0 HA LYS A 75 5.840 17.134 7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.741 15.611 9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.810 15.683 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.766 17.813 7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.025 18.293 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.420 17.976 9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.551 16.716 10.707 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.931 15.266 8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.106 16.481 8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.139 14.657 9.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.288 16.083 10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.149 14.906 10.621 1.00 0.00 H new ATOM 1161 N ARG A 76 5.043 14.618 7.810 1.00 0.00 N ATOM 1162 CA ARG A 76 4.395 13.307 7.796 1.00 0.00 C ATOM 1163 C ARG A 76 5.439 12.277 7.350 1.00 0.00 C ATOM 1164 O ARG A 76 6.504 12.625 6.834 1.00 0.00 O ATOM 1165 CB ARG A 76 3.121 13.335 6.931 1.00 0.00 C ATOM 1166 CG ARG A 76 2.137 14.457 7.339 1.00 0.00 C ATOM 1167 CD ARG A 76 0.845 14.391 6.507 1.00 0.00 C ATOM 1168 NE ARG A 76 -0.174 15.384 6.913 1.00 0.00 N ATOM 1169 CZ ARG A 76 -1.038 15.265 7.935 1.00 0.00 C ATOM 1170 NH1 ARG A 76 -0.870 14.320 8.854 1.00 0.00 N ATOM 1171 NH2 ARG A 76 -2.083 16.072 8.037 1.00 0.00 N ATOM 0 H ARG A 76 5.291 14.966 6.884 1.00 0.00 H new ATOM 0 HA ARG A 76 4.045 13.021 8.788 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.401 13.467 5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.616 12.372 7.006 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.896 14.366 8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.612 15.429 7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.091 14.545 5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.419 13.391 6.591 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.226 16.242 6.364 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.080 13.678 8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.531 14.237 9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.240 16.795 7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.731 15.971 8.818 1.00 0.00 H new ATOM 1185 N SER A 77 5.164 10.989 7.540 1.00 0.00 N ATOM 1186 CA SER A 77 6.092 9.908 7.231 1.00 0.00 C ATOM 1187 C SER A 77 5.314 8.842 6.473 1.00 0.00 C ATOM 1188 O SER A 77 4.188 8.504 6.850 1.00 0.00 O ATOM 1189 CB SER A 77 6.681 9.405 8.559 1.00 0.00 C ATOM 1190 OG SER A 77 7.664 8.399 8.422 1.00 0.00 O ATOM 0 H SER A 77 4.275 10.663 7.919 1.00 0.00 H new ATOM 0 HA SER A 77 6.925 10.220 6.601 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.117 10.250 9.092 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.871 9.021 9.179 1.00 0.00 H new ATOM 0 HG SER A 77 7.988 8.136 9.308 1.00 0.00 H new ATOM 1196 N LYS A 78 5.899 8.307 5.401 1.00 0.00 N ATOM 1197 CA LYS A 78 5.297 7.338 4.491 1.00 0.00 C ATOM 1198 C LYS A 78 6.360 6.319 4.130 1.00 0.00 C ATOM 1199 O LYS A 78 7.416 6.690 3.631 1.00 0.00 O ATOM 1200 CB LYS A 78 4.802 8.072 3.231 1.00 0.00 C ATOM 1201 CG LYS A 78 3.437 8.734 3.475 1.00 0.00 C ATOM 1202 CD LYS A 78 3.177 9.908 2.526 1.00 0.00 C ATOM 1203 CE LYS A 78 2.728 9.511 1.114 1.00 0.00 C ATOM 1204 NZ LYS A 78 1.260 9.371 1.004 1.00 0.00 N ATOM 0 H LYS A 78 6.852 8.551 5.132 1.00 0.00 H new ATOM 0 HA LYS A 78 4.448 6.836 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.529 8.829 2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.725 7.367 2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.649 7.991 3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.386 9.086 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.414 10.550 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.088 10.502 2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.072 10.262 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.201 8.569 0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.009 9.102 0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.931 8.636 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.806 10.276 1.241 1.00 0.00 H new ATOM 1218 N PHE A 79 6.094 5.041 4.363 1.00 0.00 N ATOM 1219 CA PHE A 79 7.051 4.005 3.970 1.00 0.00 C ATOM 1220 C PHE A 79 6.793 3.612 2.524 1.00 0.00 C ATOM 1221 O PHE A 79 5.639 3.404 2.134 1.00 0.00 O ATOM 1222 CB PHE A 79 7.018 2.794 4.899 1.00 0.00 C ATOM 1223 CG PHE A 79 7.137 3.168 6.359 1.00 0.00 C ATOM 1224 CD1 PHE A 79 8.404 3.418 6.910 1.00 0.00 C ATOM 1225 CD2 PHE A 79 5.986 3.356 7.144 1.00 0.00 C ATOM 1226 CE1 PHE A 79 8.511 3.893 8.226 1.00 0.00 C ATOM 1227 CE2 PHE A 79 6.097 3.825 8.460 1.00 0.00 C ATOM 1228 CZ PHE A 79 7.361 4.105 9.006 1.00 0.00 C ATOM 0 H PHE A 79 5.245 4.697 4.812 1.00 0.00 H new ATOM 0 HA PHE A 79 8.057 4.415 4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.087 2.249 4.744 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.831 2.118 4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.294 3.245 6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.012 3.138 6.731 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.486 4.098 8.643 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.208 3.972 9.056 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.448 4.479 10.015 1.00 0.00 H new ATOM 1238 N ALA A 80 7.862 3.504 1.744 1.00 0.00 N ATOM 1239 CA ALA A 80 7.855 3.075 0.361 1.00 0.00 C ATOM 1240 C ALA A 80 8.465 1.676 0.320 1.00 0.00 C ATOM 1241 O ALA A 80 9.538 1.458 0.887 1.00 0.00 O ATOM 1242 CB ALA A 80 8.659 4.079 -0.481 1.00 0.00 C ATOM 0 H ALA A 80 8.799 3.725 2.080 1.00 0.00 H new ATOM 0 HA ALA A 80 6.847 3.039 -0.053 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.658 3.762 -1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.205 5.067 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.685 4.121 -0.116 1.00 0.00 H new ATOM 1248 N LEU A 81 7.768 0.720 -0.298 1.00 0.00 N ATOM 1249 CA LEU A 81 8.287 -0.631 -0.483 1.00 0.00 C ATOM 1250 C LEU A 81 8.706 -0.725 -1.942 1.00 0.00 C ATOM 1251 O LEU A 81 7.883 -0.678 -2.850 1.00 0.00 O ATOM 1252 CB LEU A 81 7.229 -1.661 -0.058 1.00 0.00 C ATOM 1253 CG LEU A 81 7.551 -3.160 -0.257 1.00 0.00 C ATOM 1254 CD1 LEU A 81 7.202 -3.698 -1.650 1.00 0.00 C ATOM 1255 CD2 LEU A 81 8.980 -3.566 0.110 1.00 0.00 C ATOM 0 H LEU A 81 6.833 0.862 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 81 9.152 -0.849 0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.016 -1.503 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.312 -1.442 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 81 6.885 -3.633 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.459 -4.756 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.134 -3.574 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.764 -3.147 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.110 -4.634 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.686 -3.010 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.163 -3.344 1.161 1.00 0.00 H new ATOM 1267 N ILE A 82 9.996 -0.857 -2.183 1.00 0.00 N ATOM 1268 CA ILE A 82 10.570 -0.913 -3.512 1.00 0.00 C ATOM 1269 C ILE A 82 10.672 -2.387 -3.857 1.00 0.00 C ATOM 1270 O ILE A 82 11.117 -3.191 -3.036 1.00 0.00 O ATOM 1271 CB ILE A 82 11.931 -0.182 -3.553 1.00 0.00 C ATOM 1272 CG1 ILE A 82 11.746 1.346 -3.379 1.00 0.00 C ATOM 1273 CG2 ILE A 82 12.675 -0.464 -4.867 1.00 0.00 C ATOM 1274 CD1 ILE A 82 11.923 1.778 -1.922 1.00 0.00 C ATOM 0 H ILE A 82 10.691 -0.930 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 82 9.955 -0.400 -4.252 1.00 0.00 H new ATOM 0 HB ILE A 82 12.527 -0.564 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.467 1.873 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.753 1.634 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.629 0.064 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.853 -1.535 -4.961 1.00 0.00 H new ATOM 0 HG23 ILE A 82 12.072 -0.121 -5.708 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.785 2.856 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.185 1.271 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 82 12.925 1.514 -1.584 1.00 0.00 H new ATOM 1286 N THR A 83 10.279 -2.732 -5.076 1.00 0.00 N ATOM 1287 CA THR A 83 10.399 -4.078 -5.578 1.00 0.00 C ATOM 1288 C THR A 83 11.345 -4.001 -6.769 1.00 0.00 C ATOM 1289 O THR A 83 11.112 -3.249 -7.721 1.00 0.00 O ATOM 1290 CB THR A 83 9.018 -4.623 -5.975 1.00 0.00 C ATOM 1291 OG1 THR A 83 8.001 -4.225 -5.075 1.00 0.00 O ATOM 1292 CG2 THR A 83 9.089 -6.147 -5.952 1.00 0.00 C ATOM 0 H THR A 83 9.867 -2.077 -5.741 1.00 0.00 H new ATOM 0 HA THR A 83 10.791 -4.762 -4.826 1.00 0.00 H new ATOM 0 HB THR A 83 8.772 -4.229 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.787 -3.280 -5.220 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.120 -6.561 -6.231 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.845 -6.487 -6.659 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.353 -6.484 -4.949 1.00 0.00 H new ATOM 1300 N TRP A 84 12.416 -4.778 -6.703 1.00 0.00 N ATOM 1301 CA TRP A 84 13.391 -4.922 -7.754 1.00 0.00 C ATOM 1302 C TRP A 84 13.057 -6.232 -8.450 1.00 0.00 C ATOM 1303 O TRP A 84 13.026 -7.282 -7.802 1.00 0.00 O ATOM 1304 CB TRP A 84 14.796 -4.975 -7.132 1.00 0.00 C ATOM 1305 CG TRP A 84 15.855 -5.424 -8.085 1.00 0.00 C ATOM 1306 CD1 TRP A 84 16.526 -6.598 -8.060 1.00 0.00 C ATOM 1307 CD2 TRP A 84 16.284 -4.741 -9.293 1.00 0.00 C ATOM 1308 NE1 TRP A 84 17.300 -6.709 -9.197 1.00 0.00 N ATOM 1309 CE2 TRP A 84 17.173 -5.593 -10.008 1.00 0.00 C ATOM 1310 CE3 TRP A 84 15.963 -3.494 -9.865 1.00 0.00 C ATOM 1311 CZ2 TRP A 84 17.685 -5.228 -11.264 1.00 0.00 C ATOM 1312 CZ3 TRP A 84 16.477 -3.116 -11.114 1.00 0.00 C ATOM 1313 CH2 TRP A 84 17.316 -3.992 -11.828 1.00 0.00 C ATOM 0 H TRP A 84 12.630 -5.343 -5.882 1.00 0.00 H new ATOM 0 HA TRP A 84 13.373 -4.091 -8.460 1.00 0.00 H new ATOM 0 HB2 TRP A 84 15.055 -3.986 -6.754 1.00 0.00 H new ATOM 0 HB3 TRP A 84 14.780 -5.649 -6.276 1.00 0.00 H new ATOM 0 HD1 TRP A 84 16.465 -7.334 -7.272 1.00 0.00 H new ATOM 0 HE1 TRP A 84 17.891 -7.512 -9.413 1.00 0.00 H new ATOM 0 HE3 TRP A 84 15.310 -2.818 -9.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 18.356 -5.890 -11.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 16.228 -2.150 -11.529 1.00 0.00 H new ATOM 0 HH2 TRP A 84 17.676 -3.716 -12.808 1.00 0.00 H new ATOM 1324 N ILE A 85 12.824 -6.186 -9.756 1.00 0.00 N ATOM 1325 CA ILE A 85 12.586 -7.360 -10.579 1.00 0.00 C ATOM 1326 C ILE A 85 13.334 -6.978 -11.855 1.00 0.00 C ATOM 1327 O ILE A 85 12.755 -6.275 -12.688 1.00 0.00 O ATOM 1328 CB ILE A 85 11.076 -7.658 -10.846 1.00 0.00 C ATOM 1329 CG1 ILE A 85 10.053 -7.428 -9.710 1.00 0.00 C ATOM 1330 CG2 ILE A 85 10.958 -9.086 -11.393 1.00 0.00 C ATOM 1331 CD1 ILE A 85 9.877 -8.560 -8.701 1.00 0.00 C ATOM 0 H ILE A 85 12.795 -5.312 -10.281 1.00 0.00 H new ATOM 0 HA ILE A 85 12.920 -8.285 -10.110 1.00 0.00 H new ATOM 0 HB ILE A 85 10.780 -6.889 -11.560 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.346 -6.530 -9.165 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.083 -7.223 -10.163 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.910 -9.316 -11.587 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.525 -9.169 -12.320 1.00 0.00 H new ATOM 0 HG23 ILE A 85 11.354 -9.790 -10.661 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.133 -8.273 -7.958 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.545 -9.460 -9.218 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.828 -8.757 -8.205 1.00 0.00 H new ATOM 1343 N GLY A 86 14.626 -7.316 -11.953 1.00 0.00 N ATOM 1344 CA GLY A 86 15.467 -6.945 -13.089 1.00 0.00 C ATOM 1345 C GLY A 86 14.775 -7.294 -14.403 1.00 0.00 C ATOM 1346 O GLY A 86 14.111 -8.326 -14.492 1.00 0.00 O ATOM 0 H GLY A 86 15.116 -7.857 -11.241 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.681 -5.877 -13.057 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.423 -7.464 -13.026 1.00 0.00 H new ATOM 1350 N GLU A 87 14.960 -6.483 -15.445 1.00 0.00 N ATOM 1351 CA GLU A 87 14.265 -6.673 -16.721 1.00 0.00 C ATOM 1352 C GLU A 87 14.669 -7.981 -17.445 1.00 0.00 C ATOM 1353 O GLU A 87 14.039 -8.381 -18.432 1.00 0.00 O ATOM 1354 CB GLU A 87 14.450 -5.407 -17.578 1.00 0.00 C ATOM 1355 CG GLU A 87 13.368 -5.274 -18.664 1.00 0.00 C ATOM 1356 CD GLU A 87 13.881 -5.165 -20.100 1.00 0.00 C ATOM 1357 OE1 GLU A 87 14.968 -5.687 -20.441 1.00 0.00 O ATOM 1358 OE2 GLU A 87 13.159 -4.564 -20.925 1.00 0.00 O ATOM 0 H GLU A 87 15.591 -5.681 -15.431 1.00 0.00 H new ATOM 0 HA GLU A 87 13.200 -6.806 -16.530 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.425 -4.528 -16.934 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.433 -5.430 -18.048 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.706 -6.137 -18.599 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.766 -4.392 -18.445 1.00 0.00 H new ATOM 1365 N ASN A 88 15.654 -8.713 -16.909 1.00 0.00 N ATOM 1366 CA ASN A 88 16.100 -10.006 -17.415 1.00 0.00 C ATOM 1367 C ASN A 88 15.226 -11.148 -16.900 1.00 0.00 C ATOM 1368 O ASN A 88 14.999 -12.101 -17.651 1.00 0.00 O ATOM 1369 CB ASN A 88 17.555 -10.295 -16.998 1.00 0.00 C ATOM 1370 CG ASN A 88 18.554 -9.605 -17.908 1.00 0.00 C ATOM 1371 OD1 ASN A 88 18.851 -10.125 -18.982 1.00 0.00 O ATOM 1372 ND2 ASN A 88 19.073 -8.455 -17.526 1.00 0.00 N ATOM 0 H ASN A 88 16.175 -8.408 -16.087 1.00 0.00 H new ATOM 0 HA ASN A 88 16.025 -9.951 -18.501 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.711 -9.964 -15.971 1.00 0.00 H new ATOM 0 HB3 ASN A 88 17.731 -11.371 -17.016 1.00 0.00 H new ATOM 0 HD21 ASN A 88 19.740 -7.972 -18.127 1.00 0.00 H new ATOM 0 HD22 ASN A 88 18.807 -8.048 -16.629 1.00 0.00 H new ATOM 1379 N VAL A 89 14.722 -11.100 -15.665 1.00 0.00 N ATOM 1380 CA VAL A 89 13.860 -12.138 -15.123 1.00 0.00 C ATOM 1381 C VAL A 89 12.416 -11.903 -15.585 1.00 0.00 C ATOM 1382 O VAL A 89 11.899 -10.788 -15.540 1.00 0.00 O ATOM 1383 CB VAL A 89 14.072 -12.233 -13.602 1.00 0.00 C ATOM 1384 CG1 VAL A 89 13.814 -10.947 -12.812 1.00 0.00 C ATOM 1385 CG2 VAL A 89 13.244 -13.372 -12.998 1.00 0.00 C ATOM 0 H VAL A 89 14.904 -10.335 -15.015 1.00 0.00 H new ATOM 0 HA VAL A 89 14.118 -13.124 -15.508 1.00 0.00 H new ATOM 0 HB VAL A 89 15.139 -12.432 -13.503 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.994 -11.129 -11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.484 -10.163 -13.164 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.780 -10.633 -12.956 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.414 -13.415 -11.922 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.186 -13.195 -13.191 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.542 -14.318 -13.450 1.00 0.00 H new ATOM 1395 N SER A 90 11.772 -12.963 -16.063 1.00 0.00 N ATOM 1396 CA SER A 90 10.435 -12.982 -16.635 1.00 0.00 C ATOM 1397 C SER A 90 9.772 -14.318 -16.283 1.00 0.00 C ATOM 1398 O SER A 90 10.393 -15.183 -15.656 1.00 0.00 O ATOM 1399 CB SER A 90 10.575 -12.764 -18.146 1.00 0.00 C ATOM 1400 OG SER A 90 9.379 -12.304 -18.736 1.00 0.00 O ATOM 0 H SER A 90 12.199 -13.889 -16.060 1.00 0.00 H new ATOM 0 HA SER A 90 9.798 -12.193 -16.236 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.370 -12.043 -18.334 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.874 -13.699 -18.619 1.00 0.00 H new ATOM 0 HG SER A 90 9.516 -12.178 -19.698 1.00 0.00 H new ATOM 1406 N GLY A 91 8.509 -14.501 -16.660 1.00 0.00 N ATOM 1407 CA GLY A 91 7.800 -15.752 -16.456 1.00 0.00 C ATOM 1408 C GLY A 91 7.270 -15.852 -15.036 1.00 0.00 C ATOM 1409 O GLY A 91 7.029 -14.836 -14.378 1.00 0.00 O ATOM 0 H GLY A 91 7.950 -13.780 -17.117 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.973 -15.825 -17.163 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.467 -16.590 -16.659 1.00 0.00 H new ATOM 1413 N LEU A 92 7.061 -17.083 -14.560 1.00 0.00 N ATOM 1414 CA LEU A 92 6.509 -17.339 -13.229 1.00 0.00 C ATOM 1415 C LEU A 92 7.347 -16.646 -12.144 1.00 0.00 C ATOM 1416 O LEU A 92 6.803 -16.184 -11.147 1.00 0.00 O ATOM 1417 CB LEU A 92 6.355 -18.857 -13.021 1.00 0.00 C ATOM 1418 CG LEU A 92 5.465 -19.342 -11.854 1.00 0.00 C ATOM 1419 CD1 LEU A 92 6.167 -19.391 -10.498 1.00 0.00 C ATOM 1420 CD2 LEU A 92 4.152 -18.568 -11.692 1.00 0.00 C ATOM 0 H LEU A 92 7.270 -17.930 -15.088 1.00 0.00 H new ATOM 0 HA LEU A 92 5.513 -16.904 -13.147 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.958 -19.282 -13.943 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.351 -19.277 -12.879 1.00 0.00 H new ATOM 0 HG LEU A 92 5.233 -20.361 -12.163 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.468 -19.742 -9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.016 -20.072 -10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.519 -18.394 -10.234 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.591 -18.975 -10.851 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.370 -17.516 -11.508 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.560 -18.662 -12.602 1.00 0.00 H new ATOM 1432 N GLN A 93 8.649 -16.470 -12.378 1.00 0.00 N ATOM 1433 CA GLN A 93 9.584 -15.769 -11.511 1.00 0.00 C ATOM 1434 C GLN A 93 9.129 -14.328 -11.249 1.00 0.00 C ATOM 1435 O GLN A 93 9.279 -13.843 -10.130 1.00 0.00 O ATOM 1436 CB GLN A 93 10.993 -15.770 -12.129 1.00 0.00 C ATOM 1437 CG GLN A 93 11.634 -17.152 -12.339 1.00 0.00 C ATOM 1438 CD GLN A 93 11.286 -17.820 -13.672 1.00 0.00 C ATOM 1439 OE1 GLN A 93 10.146 -18.208 -13.922 1.00 0.00 O ATOM 1440 NE2 GLN A 93 12.261 -18.038 -14.535 1.00 0.00 N ATOM 0 H GLN A 93 9.097 -16.832 -13.220 1.00 0.00 H new ATOM 0 HA GLN A 93 9.611 -16.296 -10.557 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.946 -15.263 -13.093 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.649 -15.180 -11.489 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.717 -17.050 -12.271 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.324 -17.809 -11.526 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.207 -17.716 -14.328 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.069 -18.528 -15.409 1.00 0.00 H new ATOM 1449 N ARG A 94 8.589 -13.631 -12.258 1.00 0.00 N ATOM 1450 CA ARG A 94 8.039 -12.287 -12.073 1.00 0.00 C ATOM 1451 C ARG A 94 6.746 -12.447 -11.281 1.00 0.00 C ATOM 1452 O ARG A 94 6.595 -11.810 -10.234 1.00 0.00 O ATOM 1453 CB ARG A 94 7.790 -11.597 -13.430 1.00 0.00 C ATOM 1454 CG ARG A 94 7.109 -10.227 -13.259 1.00 0.00 C ATOM 1455 CD ARG A 94 6.780 -9.578 -14.604 1.00 0.00 C ATOM 1456 NE ARG A 94 6.126 -8.275 -14.409 1.00 0.00 N ATOM 1457 CZ ARG A 94 5.973 -7.321 -15.333 1.00 0.00 C ATOM 1458 NH1 ARG A 94 6.355 -7.504 -16.591 1.00 0.00 N ATOM 1459 NH2 ARG A 94 5.432 -6.165 -14.975 1.00 0.00 N ATOM 0 H ARG A 94 8.523 -13.980 -13.214 1.00 0.00 H new ATOM 0 HA ARG A 94 8.740 -11.650 -11.534 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.738 -11.469 -13.952 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.167 -12.237 -14.054 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.193 -10.347 -12.681 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.762 -9.567 -12.688 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.694 -9.448 -15.183 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.128 -10.235 -15.180 1.00 0.00 H new ATOM 0 HE ARG A 94 5.753 -8.081 -13.480 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.777 -8.389 -16.872 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.227 -6.760 -17.276 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.141 -6.016 -14.009 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.307 -5.425 -15.666 1.00 0.00 H new ATOM 1473 N ALA A 95 5.840 -13.309 -11.762 1.00 0.00 N ATOM 1474 CA ALA A 95 4.547 -13.584 -11.145 1.00 0.00 C ATOM 1475 C ALA A 95 4.644 -13.962 -9.672 1.00 0.00 C ATOM 1476 O ALA A 95 3.639 -13.797 -8.981 1.00 0.00 O ATOM 1477 CB ALA A 95 3.762 -14.653 -11.902 1.00 0.00 C ATOM 0 H ALA A 95 5.996 -13.846 -12.615 1.00 0.00 H new ATOM 0 HA ALA A 95 4.005 -12.640 -11.205 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.807 -14.823 -11.405 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.585 -14.319 -12.924 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.333 -15.581 -11.918 1.00 0.00 H new ATOM 1483 N LYS A 96 5.777 -14.469 -9.170 1.00 0.00 N ATOM 1484 CA LYS A 96 5.954 -14.749 -7.745 1.00 0.00 C ATOM 1485 C LYS A 96 5.520 -13.539 -6.942 1.00 0.00 C ATOM 1486 O LYS A 96 4.720 -13.669 -6.029 1.00 0.00 O ATOM 1487 CB LYS A 96 7.427 -15.037 -7.420 1.00 0.00 C ATOM 1488 CG LYS A 96 7.912 -16.436 -7.806 1.00 0.00 C ATOM 1489 CD LYS A 96 9.278 -16.771 -7.179 1.00 0.00 C ATOM 1490 CE LYS A 96 9.211 -16.792 -5.639 1.00 0.00 C ATOM 1491 NZ LYS A 96 10.410 -17.377 -5.005 1.00 0.00 N ATOM 0 H LYS A 96 6.592 -14.695 -9.740 1.00 0.00 H new ATOM 0 HA LYS A 96 5.353 -15.622 -7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.047 -14.300 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.582 -14.897 -6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.177 -17.175 -7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.985 -16.507 -8.891 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.616 -17.742 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.016 -16.036 -7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.078 -15.773 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.333 -17.359 -5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.299 -17.360 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.527 -18.360 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.249 -16.824 -5.272 1.00 0.00 H new ATOM 1505 N THR A 97 5.916 -12.349 -7.372 1.00 0.00 N ATOM 1506 CA THR A 97 5.587 -11.070 -6.767 1.00 0.00 C ATOM 1507 C THR A 97 4.068 -10.862 -6.655 1.00 0.00 C ATOM 1508 O THR A 97 3.611 -10.194 -5.731 1.00 0.00 O ATOM 1509 CB THR A 97 6.289 -9.996 -7.611 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.637 -10.379 -7.756 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.219 -8.595 -7.011 1.00 0.00 C ATOM 0 H THR A 97 6.507 -12.247 -8.197 1.00 0.00 H new ATOM 0 HA THR A 97 5.938 -11.017 -5.737 1.00 0.00 H new ATOM 0 HB THR A 97 5.772 -9.936 -8.568 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.165 -10.002 -7.021 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.737 -7.893 -7.665 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.176 -8.294 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.694 -8.595 -6.030 1.00 0.00 H new ATOM 1519 N GLY A 98 3.260 -11.462 -7.528 1.00 0.00 N ATOM 1520 CA GLY A 98 1.809 -11.386 -7.437 1.00 0.00 C ATOM 1521 C GLY A 98 1.245 -12.286 -6.337 1.00 0.00 C ATOM 1522 O GLY A 98 0.180 -12.007 -5.784 1.00 0.00 O ATOM 0 H GLY A 98 3.596 -12.014 -8.317 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.513 -10.354 -7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.372 -11.670 -8.394 1.00 0.00 H new ATOM 1526 N THR A 99 1.952 -13.353 -5.984 1.00 0.00 N ATOM 1527 CA THR A 99 1.605 -14.259 -4.893 1.00 0.00 C ATOM 1528 C THR A 99 2.313 -13.823 -3.596 1.00 0.00 C ATOM 1529 O THR A 99 1.816 -14.074 -2.497 1.00 0.00 O ATOM 1530 CB THR A 99 2.047 -15.674 -5.322 1.00 0.00 C ATOM 1531 OG1 THR A 99 1.288 -16.098 -6.439 1.00 0.00 O ATOM 1532 CG2 THR A 99 1.871 -16.747 -4.243 1.00 0.00 C ATOM 0 H THR A 99 2.811 -13.621 -6.464 1.00 0.00 H new ATOM 0 HA THR A 99 0.534 -14.244 -4.693 1.00 0.00 H new ATOM 0 HB THR A 99 3.111 -15.580 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.575 -16.996 -6.707 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.206 -17.710 -4.629 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.462 -16.482 -3.366 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.819 -16.814 -3.965 1.00 0.00 H new ATOM 1540 N ASP A 100 3.381 -13.037 -3.719 1.00 0.00 N ATOM 1541 CA ASP A 100 4.246 -12.610 -2.635 1.00 0.00 C ATOM 1542 C ASP A 100 4.082 -11.179 -2.151 1.00 0.00 C ATOM 1543 O ASP A 100 4.425 -10.926 -1.000 1.00 0.00 O ATOM 1544 CB ASP A 100 5.697 -12.822 -3.080 1.00 0.00 C ATOM 1545 CG ASP A 100 6.082 -14.300 -3.211 1.00 0.00 C ATOM 1546 OD1 ASP A 100 5.580 -15.131 -2.428 1.00 0.00 O ATOM 1547 OD2 ASP A 100 6.972 -14.605 -4.035 1.00 0.00 O ATOM 0 H ASP A 100 3.676 -12.666 -4.622 1.00 0.00 H new ATOM 0 HA ASP A 100 3.956 -13.217 -1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.851 -12.327 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.363 -12.342 -2.363 1.00 0.00 H new ATOM 1552 N LYS A 101 3.572 -10.214 -2.927 1.00 0.00 N ATOM 1553 CA LYS A 101 3.396 -8.870 -2.360 1.00 0.00 C ATOM 1554 C LYS A 101 2.494 -8.903 -1.132 1.00 0.00 C ATOM 1555 O LYS A 101 2.765 -8.156 -0.196 1.00 0.00 O ATOM 1556 CB LYS A 101 2.982 -7.799 -3.386 1.00 0.00 C ATOM 1557 CG LYS A 101 4.224 -7.299 -4.147 1.00 0.00 C ATOM 1558 CD LYS A 101 3.989 -6.099 -5.075 1.00 0.00 C ATOM 1559 CE LYS A 101 2.961 -6.393 -6.171 1.00 0.00 C ATOM 1560 NZ LYS A 101 2.823 -5.268 -7.119 1.00 0.00 N ATOM 0 H LYS A 101 3.287 -10.326 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 101 4.384 -8.549 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.257 -8.214 -4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.495 -6.966 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.990 -7.030 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.622 -8.123 -4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.650 -5.248 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.934 -5.811 -5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.257 -7.290 -6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.994 -6.602 -5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.015 -5.443 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.665 -4.386 -6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.692 -5.182 -7.684 1.00 0.00 H new ATOM 1574 N THR A 102 1.499 -9.790 -1.067 1.00 0.00 N ATOM 1575 CA THR A 102 0.669 -9.914 0.124 1.00 0.00 C ATOM 1576 C THR A 102 1.447 -10.487 1.318 1.00 0.00 C ATOM 1577 O THR A 102 1.082 -10.218 2.459 1.00 0.00 O ATOM 1578 CB THR A 102 -0.564 -10.762 -0.203 1.00 0.00 C ATOM 1579 OG1 THR A 102 -1.578 -10.495 0.748 1.00 0.00 O ATOM 1580 CG2 THR A 102 -0.292 -12.268 -0.255 1.00 0.00 C ATOM 0 H THR A 102 1.252 -10.428 -1.823 1.00 0.00 H new ATOM 0 HA THR A 102 0.348 -8.917 0.424 1.00 0.00 H new ATOM 0 HB THR A 102 -0.878 -10.477 -1.207 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.370 -11.034 0.542 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.215 -12.797 -0.492 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.453 -12.477 -1.023 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.080 -12.604 0.713 1.00 0.00 H new ATOM 1588 N LEU A 103 2.486 -11.289 1.075 1.00 0.00 N ATOM 1589 CA LEU A 103 3.330 -11.866 2.112 1.00 0.00 C ATOM 1590 C LEU A 103 4.110 -10.750 2.765 1.00 0.00 C ATOM 1591 O LEU A 103 3.945 -10.504 3.951 1.00 0.00 O ATOM 1592 CB LEU A 103 4.261 -12.930 1.524 1.00 0.00 C ATOM 1593 CG LEU A 103 3.571 -14.266 1.231 1.00 0.00 C ATOM 1594 CD1 LEU A 103 4.670 -15.265 0.910 1.00 0.00 C ATOM 1595 CD2 LEU A 103 2.729 -14.831 2.383 1.00 0.00 C ATOM 0 H LEU A 103 2.766 -11.558 0.132 1.00 0.00 H new ATOM 0 HA LEU A 103 2.714 -12.363 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.697 -12.547 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.084 -13.102 2.218 1.00 0.00 H new ATOM 0 HG LEU A 103 2.871 -14.094 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.226 -16.237 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.232 -14.921 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.341 -15.355 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.283 -15.777 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.365 -14.994 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.940 -14.123 2.638 1.00 0.00 H new ATOM 1607 N VAL A 104 4.954 -10.052 2.016 1.00 0.00 N ATOM 1608 CA VAL A 104 5.660 -8.901 2.569 1.00 0.00 C ATOM 1609 C VAL A 104 4.653 -7.858 3.097 1.00 0.00 C ATOM 1610 O VAL A 104 4.989 -7.161 4.052 1.00 0.00 O ATOM 1611 CB VAL A 104 6.786 -8.437 1.618 1.00 0.00 C ATOM 1612 CG1 VAL A 104 6.405 -8.515 0.136 1.00 0.00 C ATOM 1613 CG2 VAL A 104 7.325 -7.038 1.939 1.00 0.00 C ATOM 0 H VAL A 104 5.165 -10.257 1.039 1.00 0.00 H new ATOM 0 HA VAL A 104 6.221 -9.159 3.467 1.00 0.00 H new ATOM 0 HB VAL A 104 7.586 -9.155 1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.242 -8.174 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.163 -9.546 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.538 -7.881 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.112 -6.780 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.517 -6.311 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.730 -7.027 2.951 1.00 0.00 H new ATOM 1623 N LYS A 105 3.400 -7.800 2.608 1.00 0.00 N ATOM 1624 CA LYS A 105 2.397 -6.884 3.166 1.00 0.00 C ATOM 1625 C LYS A 105 2.106 -7.266 4.619 1.00 0.00 C ATOM 1626 O LYS A 105 1.867 -6.370 5.412 1.00 0.00 O ATOM 1627 CB LYS A 105 1.109 -6.865 2.325 1.00 0.00 C ATOM 1628 CG LYS A 105 0.149 -5.700 2.621 1.00 0.00 C ATOM 1629 CD LYS A 105 -1.056 -5.806 1.670 1.00 0.00 C ATOM 1630 CE LYS A 105 -2.007 -4.602 1.691 1.00 0.00 C ATOM 1631 NZ LYS A 105 -2.770 -4.460 2.949 1.00 0.00 N ATOM 0 H LYS A 105 3.063 -8.373 1.834 1.00 0.00 H new ATOM 0 HA LYS A 105 2.802 -5.872 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.383 -6.829 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.577 -7.803 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.183 -5.737 3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 105 0.658 -4.746 2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.687 -5.940 0.653 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.623 -6.702 1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.429 -3.693 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.708 -4.691 0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.389 -3.626 2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.349 -5.310 3.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.110 -4.343 3.744 1.00 0.00 H new ATOM 1645 N GLU A 106 2.150 -8.547 5.011 1.00 0.00 N ATOM 1646 CA GLU A 106 1.971 -8.961 6.401 1.00 0.00 C ATOM 1647 C GLU A 106 3.065 -8.390 7.311 1.00 0.00 C ATOM 1648 O GLU A 106 2.863 -8.276 8.520 1.00 0.00 O ATOM 1649 CB GLU A 106 1.909 -10.493 6.479 1.00 0.00 C ATOM 1650 CG GLU A 106 0.571 -10.999 5.943 1.00 0.00 C ATOM 1651 CD GLU A 106 -0.486 -10.929 7.042 1.00 0.00 C ATOM 1652 OE1 GLU A 106 -1.092 -9.844 7.193 1.00 0.00 O ATOM 1653 OE2 GLU A 106 -0.658 -11.930 7.783 1.00 0.00 O ATOM 0 H GLU A 106 2.311 -9.323 4.369 1.00 0.00 H new ATOM 0 HA GLU A 106 1.027 -8.555 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.726 -10.926 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.040 -10.817 7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.260 -10.398 5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.675 -12.025 5.590 1.00 0.00 H new ATOM 1660 N VAL A 107 4.237 -8.056 6.772 1.00 0.00 N ATOM 1661 CA VAL A 107 5.310 -7.415 7.517 1.00 0.00 C ATOM 1662 C VAL A 107 5.020 -5.907 7.459 1.00 0.00 C ATOM 1663 O VAL A 107 4.734 -5.268 8.473 1.00 0.00 O ATOM 1664 CB VAL A 107 6.684 -7.795 6.913 1.00 0.00 C ATOM 1665 CG1 VAL A 107 7.828 -7.070 7.637 1.00 0.00 C ATOM 1666 CG2 VAL A 107 6.928 -9.310 6.972 1.00 0.00 C ATOM 0 H VAL A 107 4.467 -8.227 5.793 1.00 0.00 H new ATOM 0 HA VAL A 107 5.353 -7.742 8.556 1.00 0.00 H new ATOM 0 HB VAL A 107 6.665 -7.483 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.780 -7.357 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 107 7.693 -5.992 7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.824 -7.346 8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.902 -9.539 6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.905 -9.642 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 107 6.150 -9.826 6.409 1.00 0.00 H new ATOM 1676 N VAL A 108 5.051 -5.368 6.245 1.00 0.00 N ATOM 1677 CA VAL A 108 4.917 -3.991 5.795 1.00 0.00 C ATOM 1678 C VAL A 108 3.464 -3.469 5.894 1.00 0.00 C ATOM 1679 O VAL A 108 3.090 -2.560 5.167 1.00 0.00 O ATOM 1680 CB VAL A 108 5.592 -3.924 4.389 1.00 0.00 C ATOM 1681 CG1 VAL A 108 5.670 -2.535 3.753 1.00 0.00 C ATOM 1682 CG2 VAL A 108 7.060 -4.401 4.474 1.00 0.00 C ATOM 0 H VAL A 108 5.191 -5.979 5.440 1.00 0.00 H new ATOM 0 HA VAL A 108 5.432 -3.288 6.450 1.00 0.00 H new ATOM 0 HB VAL A 108 4.948 -4.555 3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.157 -2.607 2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.664 -2.136 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.245 -1.871 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.517 -4.349 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.611 -3.761 5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.088 -5.430 4.833 1.00 0.00 H new ATOM 1692 N GLN A 109 2.615 -3.998 6.790 1.00 0.00 N ATOM 1693 CA GLN A 109 1.230 -3.521 6.963 1.00 0.00 C ATOM 1694 C GLN A 109 1.180 -2.001 7.224 1.00 0.00 C ATOM 1695 O GLN A 109 0.186 -1.329 6.946 1.00 0.00 O ATOM 1696 CB GLN A 109 0.543 -4.248 8.135 1.00 0.00 C ATOM 1697 CG GLN A 109 0.358 -5.770 7.965 1.00 0.00 C ATOM 1698 CD GLN A 109 -0.504 -6.395 9.068 1.00 0.00 C ATOM 1699 OE1 GLN A 109 -0.677 -5.826 10.142 1.00 0.00 O ATOM 1700 NE2 GLN A 109 -1.055 -7.587 8.894 1.00 0.00 N ATOM 0 H GLN A 109 2.866 -4.765 7.413 1.00 0.00 H new ATOM 0 HA GLN A 109 0.703 -3.738 6.034 1.00 0.00 H new ATOM 0 HB2 GLN A 109 1.125 -4.071 9.039 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.437 -3.797 8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.101 -5.969 6.996 1.00 0.00 H new ATOM 0 HG3 GLN A 109 1.336 -6.251 7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.928 -8.084 8.012 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.606 -8.008 9.642 1.00 0.00 H new ATOM 1709 N ASN A 110 2.261 -1.453 7.775 1.00 0.00 N ATOM 1710 CA ASN A 110 2.453 -0.040 8.021 1.00 0.00 C ATOM 1711 C ASN A 110 3.274 0.505 6.858 1.00 0.00 C ATOM 1712 O ASN A 110 4.504 0.468 6.910 1.00 0.00 O ATOM 1713 CB ASN A 110 3.174 0.127 9.356 1.00 0.00 C ATOM 1714 CG ASN A 110 3.444 1.577 9.719 1.00 0.00 C ATOM 1715 OD1 ASN A 110 2.796 2.507 9.241 1.00 0.00 O ATOM 1716 ND2 ASN A 110 4.358 1.787 10.644 1.00 0.00 N ATOM 0 H ASN A 110 3.059 -2.014 8.073 1.00 0.00 H new ATOM 0 HA ASN A 110 1.512 0.506 8.084 1.00 0.00 H new ATOM 0 HB2 ASN A 110 2.576 -0.331 10.143 1.00 0.00 H new ATOM 0 HB3 ASN A 110 4.120 -0.413 9.319 1.00 0.00 H new ATOM 0 HD21 ASN A 110 4.539 2.734 10.976 1.00 0.00 H new ATOM 0 HD22 ASN A 110 4.885 1.002 11.028 1.00 0.00 H new ATOM 1723 N PHE A 111 2.611 0.942 5.786 1.00 0.00 N ATOM 1724 CA PHE A 111 3.273 1.542 4.641 1.00 0.00 C ATOM 1725 C PHE A 111 2.345 2.502 3.917 1.00 0.00 C ATOM 1726 O PHE A 111 1.185 2.687 4.298 1.00 0.00 O ATOM 1727 CB PHE A 111 3.845 0.488 3.683 1.00 0.00 C ATOM 1728 CG PHE A 111 2.884 -0.156 2.692 1.00 0.00 C ATOM 1729 CD1 PHE A 111 1.708 -0.804 3.118 1.00 0.00 C ATOM 1730 CD2 PHE A 111 3.190 -0.122 1.317 1.00 0.00 C ATOM 1731 CE1 PHE A 111 0.859 -1.419 2.183 1.00 0.00 C ATOM 1732 CE2 PHE A 111 2.334 -0.725 0.380 1.00 0.00 C ATOM 1733 CZ PHE A 111 1.169 -1.380 0.813 1.00 0.00 C ATOM 0 H PHE A 111 1.597 0.887 5.693 1.00 0.00 H new ATOM 0 HA PHE A 111 4.120 2.113 5.022 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.652 0.951 3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.291 -0.305 4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.458 -0.828 4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.090 0.372 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.035 -1.924 2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.572 -0.685 -0.673 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.514 -1.852 0.095 1.00 0.00 H new ATOM 1743 N ALA A 112 2.891 3.156 2.896 1.00 0.00 N ATOM 1744 CA ALA A 112 2.194 4.115 2.076 1.00 0.00 C ATOM 1745 C ALA A 112 1.941 3.530 0.691 1.00 0.00 C ATOM 1746 O ALA A 112 0.781 3.304 0.344 1.00 0.00 O ATOM 1747 CB ALA A 112 3.001 5.412 2.094 1.00 0.00 C ATOM 0 H ALA A 112 3.863 3.022 2.616 1.00 0.00 H new ATOM 0 HA ALA A 112 1.201 4.350 2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.500 6.161 1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.082 5.776 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.998 5.226 1.695 1.00 0.00 H new ATOM 1753 N LYS A 113 2.982 3.271 -0.103 1.00 0.00 N ATOM 1754 CA LYS A 113 2.856 2.684 -1.437 1.00 0.00 C ATOM 1755 C LYS A 113 4.063 1.807 -1.720 1.00 0.00 C ATOM 1756 O LYS A 113 5.007 1.754 -0.930 1.00 0.00 O ATOM 1757 CB LYS A 113 2.736 3.769 -2.526 1.00 0.00 C ATOM 1758 CG LYS A 113 1.370 4.467 -2.557 1.00 0.00 C ATOM 1759 CD LYS A 113 1.388 5.834 -1.850 1.00 0.00 C ATOM 1760 CE LYS A 113 0.147 6.112 -0.990 1.00 0.00 C ATOM 1761 NZ LYS A 113 -1.119 6.103 -1.744 1.00 0.00 N ATOM 0 H LYS A 113 3.947 3.465 0.166 1.00 0.00 H new ATOM 0 HA LYS A 113 1.945 2.086 -1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 113 3.512 4.517 -2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.924 3.316 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS A 113 1.058 4.602 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.628 3.826 -2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.275 5.893 -1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 113 1.479 6.618 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 113 0.092 5.365 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 113 0.263 7.082 -0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.910 6.298 -1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.088 6.834 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.254 5.171 -2.185 1.00 0.00 H new ATOM 1775 N GLU A 114 4.023 1.130 -2.857 1.00 0.00 N ATOM 1776 CA GLU A 114 5.103 0.311 -3.365 1.00 0.00 C ATOM 1777 C GLU A 114 5.571 0.858 -4.710 1.00 0.00 C ATOM 1778 O GLU A 114 4.958 1.785 -5.254 1.00 0.00 O ATOM 1779 CB GLU A 114 4.782 -1.193 -3.282 1.00 0.00 C ATOM 1780 CG GLU A 114 3.388 -1.714 -3.668 1.00 0.00 C ATOM 1781 CD GLU A 114 3.097 -1.832 -5.169 1.00 0.00 C ATOM 1782 OE1 GLU A 114 3.125 -0.806 -5.881 1.00 0.00 O ATOM 1783 OE2 GLU A 114 2.660 -2.925 -5.616 1.00 0.00 O ATOM 0 H GLU A 114 3.208 1.139 -3.470 1.00 0.00 H new ATOM 0 HA GLU A 114 5.979 0.382 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.505 -1.712 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.970 -1.506 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.253 -2.696 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.642 -1.054 -3.226 1.00 0.00 H new ATOM 1790 N PHE A 115 6.696 0.354 -5.219 1.00 0.00 N ATOM 1791 CA PHE A 115 7.287 0.865 -6.450 1.00 0.00 C ATOM 1792 C PHE A 115 7.869 -0.382 -7.135 1.00 0.00 C ATOM 1793 O PHE A 115 8.297 -1.310 -6.439 1.00 0.00 O ATOM 1794 CB PHE A 115 8.398 1.858 -6.049 1.00 0.00 C ATOM 1795 CG PHE A 115 8.819 2.908 -7.063 1.00 0.00 C ATOM 1796 CD1 PHE A 115 9.137 2.651 -8.411 1.00 0.00 C ATOM 1797 CD2 PHE A 115 8.777 4.243 -6.615 1.00 0.00 C ATOM 1798 CE1 PHE A 115 9.451 3.714 -9.276 1.00 0.00 C ATOM 1799 CE2 PHE A 115 9.072 5.302 -7.479 1.00 0.00 C ATOM 1800 CZ PHE A 115 9.439 5.037 -8.806 1.00 0.00 C ATOM 0 H PHE A 115 7.217 -0.412 -4.792 1.00 0.00 H new ATOM 0 HA PHE A 115 6.592 1.384 -7.110 1.00 0.00 H new ATOM 0 HB2 PHE A 115 8.072 2.377 -5.147 1.00 0.00 H new ATOM 0 HB3 PHE A 115 9.282 1.279 -5.782 1.00 0.00 H new ATOM 0 HD1 PHE A 115 9.140 1.636 -8.781 1.00 0.00 H new ATOM 0 HD2 PHE A 115 8.513 4.452 -5.589 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.703 3.512 -10.307 1.00 0.00 H new ATOM 0 HE2 PHE A 115 9.017 6.321 -7.125 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.712 5.848 -9.465 1.00 0.00 H new ATOM 1810 N VAL A 116 7.920 -0.430 -8.465 1.00 0.00 N ATOM 1811 CA VAL A 116 8.454 -1.560 -9.216 1.00 0.00 C ATOM 1812 C VAL A 116 9.506 -1.015 -10.193 1.00 0.00 C ATOM 1813 O VAL A 116 9.205 -0.146 -11.014 1.00 0.00 O ATOM 1814 CB VAL A 116 7.271 -2.287 -9.897 1.00 0.00 C ATOM 1815 CG1 VAL A 116 7.732 -3.474 -10.748 1.00 0.00 C ATOM 1816 CG2 VAL A 116 6.249 -2.809 -8.867 1.00 0.00 C ATOM 0 H VAL A 116 7.585 0.329 -9.059 1.00 0.00 H new ATOM 0 HA VAL A 116 8.953 -2.298 -8.588 1.00 0.00 H new ATOM 0 HB VAL A 116 6.803 -1.540 -10.538 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.866 -3.952 -11.205 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.406 -3.122 -11.529 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.252 -4.194 -10.117 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.434 -3.313 -9.386 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.739 -3.511 -8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.851 -1.972 -8.293 1.00 0.00 H new ATOM 1826 N ILE A 117 10.739 -1.523 -10.124 1.00 0.00 N ATOM 1827 CA ILE A 117 11.886 -1.076 -10.923 1.00 0.00 C ATOM 1828 C ILE A 117 12.545 -2.313 -11.531 1.00 0.00 C ATOM 1829 O ILE A 117 12.560 -3.379 -10.903 1.00 0.00 O ATOM 1830 CB ILE A 117 12.851 -0.252 -10.061 1.00 0.00 C ATOM 1831 CG1 ILE A 117 12.152 1.024 -9.542 1.00 0.00 C ATOM 1832 CG2 ILE A 117 14.066 0.186 -10.894 1.00 0.00 C ATOM 1833 CD1 ILE A 117 11.921 1.010 -8.030 1.00 0.00 C ATOM 0 H ILE A 117 10.976 -2.284 -9.488 1.00 0.00 H new ATOM 0 HA ILE A 117 11.568 -0.418 -11.731 1.00 0.00 H new ATOM 0 HB ILE A 117 13.168 -0.876 -9.226 1.00 0.00 H new ATOM 0 HG12 ILE A 117 12.756 1.893 -9.803 1.00 0.00 H new ATOM 0 HG13 ILE A 117 11.194 1.138 -10.049 1.00 0.00 H new ATOM 0 HG21 ILE A 117 14.743 0.770 -10.271 1.00 0.00 H new ATOM 0 HG22 ILE A 117 14.587 -0.695 -11.269 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.731 0.794 -11.734 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.427 1.934 -7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 117 11.293 0.159 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 117 12.879 0.927 -7.516 1.00 0.00 H new ATOM 1845 N SER A 118 13.068 -2.172 -12.748 1.00 0.00 N ATOM 1846 CA SER A 118 13.679 -3.246 -13.518 1.00 0.00 C ATOM 1847 C SER A 118 14.982 -2.843 -14.212 1.00 0.00 C ATOM 1848 O SER A 118 15.675 -3.727 -14.715 1.00 0.00 O ATOM 1849 CB SER A 118 12.660 -3.782 -14.533 1.00 0.00 C ATOM 1850 OG SER A 118 11.873 -2.769 -15.139 1.00 0.00 O ATOM 0 H SER A 118 13.077 -1.277 -13.238 1.00 0.00 H new ATOM 0 HA SER A 118 13.958 -4.030 -12.814 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.190 -4.332 -15.311 1.00 0.00 H new ATOM 0 HB3 SER A 118 12.001 -4.492 -14.033 1.00 0.00 H new ATOM 0 HG SER A 118 11.248 -3.177 -15.774 1.00 0.00 H new ATOM 1856 N ASP A 119 15.338 -1.555 -14.225 1.00 0.00 N ATOM 1857 CA ASP A 119 16.602 -1.085 -14.800 1.00 0.00 C ATOM 1858 C ASP A 119 17.435 -0.502 -13.670 1.00 0.00 C ATOM 1859 O ASP A 119 16.964 0.363 -12.925 1.00 0.00 O ATOM 1860 CB ASP A 119 16.377 -0.065 -15.925 1.00 0.00 C ATOM 1861 CG ASP A 119 17.662 0.293 -16.681 1.00 0.00 C ATOM 1862 OD1 ASP A 119 18.763 0.360 -16.093 1.00 0.00 O ATOM 1863 OD2 ASP A 119 17.621 0.503 -17.911 1.00 0.00 O ATOM 0 H ASP A 119 14.759 -0.810 -13.838 1.00 0.00 H new ATOM 0 HA ASP A 119 17.130 -1.919 -15.262 1.00 0.00 H new ATOM 0 HB2 ASP A 119 15.648 -0.466 -16.630 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.946 0.843 -15.503 1.00 0.00 H new ATOM 1868 N ARG A 120 18.655 -1.015 -13.508 1.00 0.00 N ATOM 1869 CA ARG A 120 19.566 -0.624 -12.441 1.00 0.00 C ATOM 1870 C ARG A 120 19.892 0.869 -12.494 1.00 0.00 C ATOM 1871 O ARG A 120 20.027 1.475 -11.441 1.00 0.00 O ATOM 1872 CB ARG A 120 20.837 -1.482 -12.556 1.00 0.00 C ATOM 1873 CG ARG A 120 21.635 -1.531 -11.248 1.00 0.00 C ATOM 1874 CD ARG A 120 22.999 -2.213 -11.416 1.00 0.00 C ATOM 1875 NE ARG A 120 24.007 -1.284 -11.956 1.00 0.00 N ATOM 1876 CZ ARG A 120 24.424 -1.163 -13.224 1.00 0.00 C ATOM 1877 NH1 ARG A 120 23.929 -1.909 -14.211 1.00 0.00 N ATOM 1878 NH2 ARG A 120 25.348 -0.249 -13.493 1.00 0.00 N ATOM 0 H ARG A 120 19.041 -1.727 -14.128 1.00 0.00 H new ATOM 0 HA ARG A 120 19.091 -0.796 -11.475 1.00 0.00 H new ATOM 0 HB2 ARG A 120 20.562 -2.496 -12.848 1.00 0.00 H new ATOM 0 HB3 ARG A 120 21.470 -1.083 -13.349 1.00 0.00 H new ATOM 0 HG2 ARG A 120 21.783 -0.516 -10.878 1.00 0.00 H new ATOM 0 HG3 ARG A 120 21.057 -2.064 -10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 120 23.336 -2.596 -10.453 1.00 0.00 H new ATOM 0 HD3 ARG A 120 22.899 -3.069 -12.083 1.00 0.00 H new ATOM 0 HE ARG A 120 24.441 -0.655 -11.281 1.00 0.00 H new ATOM 0 HH11 ARG A 120 23.207 -2.602 -14.014 1.00 0.00 H new ATOM 0 HH12 ARG A 120 24.272 -1.787 -15.164 1.00 0.00 H new ATOM 0 HH21 ARG A 120 25.720 0.336 -12.745 1.00 0.00 H new ATOM 0 HH22 ARG A 120 25.687 -0.132 -14.448 1.00 0.00 H new ATOM 1892 N LYS A 121 20.029 1.488 -13.673 1.00 0.00 N ATOM 1893 CA LYS A 121 20.296 2.914 -13.755 1.00 0.00 C ATOM 1894 C LYS A 121 19.097 3.729 -13.307 1.00 0.00 C ATOM 1895 O LYS A 121 19.278 4.801 -12.737 1.00 0.00 O ATOM 1896 CB LYS A 121 20.610 3.355 -15.183 1.00 0.00 C ATOM 1897 CG LYS A 121 21.906 2.816 -15.803 1.00 0.00 C ATOM 1898 CD LYS A 121 21.724 1.606 -16.723 1.00 0.00 C ATOM 1899 CE LYS A 121 21.129 1.932 -18.110 1.00 0.00 C ATOM 1900 NZ LYS A 121 19.714 2.362 -18.113 1.00 0.00 N ATOM 0 H LYS A 121 19.958 1.019 -14.576 1.00 0.00 H new ATOM 0 HA LYS A 121 21.153 3.087 -13.104 1.00 0.00 H new ATOM 0 HB2 LYS A 121 19.778 3.057 -15.821 1.00 0.00 H new ATOM 0 HB3 LYS A 121 20.652 4.444 -15.201 1.00 0.00 H new ATOM 0 HG2 LYS A 121 22.381 3.617 -16.369 1.00 0.00 H new ATOM 0 HG3 LYS A 121 22.591 2.544 -15.000 1.00 0.00 H new ATOM 0 HD2 LYS A 121 22.692 1.124 -16.862 1.00 0.00 H new ATOM 0 HD3 LYS A 121 21.077 0.883 -16.226 1.00 0.00 H new ATOM 0 HE2 LYS A 121 21.730 2.718 -18.568 1.00 0.00 H new ATOM 0 HE3 LYS A 121 21.223 1.049 -18.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 19.343 2.327 -19.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 19.157 1.727 -17.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 19.646 3.335 -17.751 1.00 0.00 H new ATOM 1914 N GLU A 122 17.892 3.248 -13.615 1.00 0.00 N ATOM 1915 CA GLU A 122 16.666 3.970 -13.332 1.00 0.00 C ATOM 1916 C GLU A 122 16.461 4.094 -11.832 1.00 0.00 C ATOM 1917 O GLU A 122 16.131 5.176 -11.369 1.00 0.00 O ATOM 1918 CB GLU A 122 15.480 3.269 -14.008 1.00 0.00 C ATOM 1919 CG GLU A 122 14.270 4.189 -14.205 1.00 0.00 C ATOM 1920 CD GLU A 122 14.387 4.975 -15.514 1.00 0.00 C ATOM 1921 OE1 GLU A 122 15.437 5.627 -15.736 1.00 0.00 O ATOM 1922 OE2 GLU A 122 13.465 4.875 -16.353 1.00 0.00 O ATOM 0 H GLU A 122 17.746 2.346 -14.068 1.00 0.00 H new ATOM 0 HA GLU A 122 16.738 4.979 -13.739 1.00 0.00 H new ATOM 0 HB2 GLU A 122 15.798 2.884 -14.977 1.00 0.00 H new ATOM 0 HB3 GLU A 122 15.182 2.411 -13.406 1.00 0.00 H new ATOM 0 HG2 GLU A 122 13.355 3.596 -14.213 1.00 0.00 H new ATOM 0 HG3 GLU A 122 14.194 4.881 -13.366 1.00 0.00 H new ATOM 1929 N LEU A 123 16.742 3.009 -11.106 1.00 0.00 N ATOM 1930 CA LEU A 123 16.598 2.736 -9.672 1.00 0.00 C ATOM 1931 C LEU A 123 17.048 3.865 -8.739 1.00 0.00 C ATOM 1932 O LEU A 123 16.642 3.870 -7.579 1.00 0.00 O ATOM 1933 CB LEU A 123 17.306 1.395 -9.423 1.00 0.00 C ATOM 1934 CG LEU A 123 17.185 0.631 -8.097 1.00 0.00 C ATOM 1935 CD1 LEU A 123 18.235 1.085 -7.103 1.00 0.00 C ATOM 1936 CD2 LEU A 123 15.776 0.567 -7.505 1.00 0.00 C ATOM 0 H LEU A 123 17.129 2.190 -11.575 1.00 0.00 H new ATOM 0 HA LEU A 123 15.540 2.674 -9.416 1.00 0.00 H new ATOM 0 HB2 LEU A 123 16.970 0.715 -10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 123 18.370 1.569 -9.586 1.00 0.00 H new ATOM 0 HG LEU A 123 17.391 -0.410 -8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 123 18.123 0.525 -6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 123 19.228 0.907 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 123 18.110 2.149 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 123 15.799 0.006 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 123 15.416 1.578 -7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 123 15.108 0.071 -8.209 1.00 0.00 H new ATOM 1948 N GLU A 124 17.925 4.746 -9.211 1.00 0.00 N ATOM 1949 CA GLU A 124 18.405 5.931 -8.517 1.00 0.00 C ATOM 1950 C GLU A 124 17.255 6.678 -7.835 1.00 0.00 C ATOM 1951 O GLU A 124 16.166 6.832 -8.392 1.00 0.00 O ATOM 1952 CB GLU A 124 19.085 6.831 -9.561 1.00 0.00 C ATOM 1953 CG GLU A 124 20.464 6.270 -9.953 1.00 0.00 C ATOM 1954 CD GLU A 124 21.542 6.544 -8.898 1.00 0.00 C ATOM 1955 OE1 GLU A 124 21.230 6.886 -7.738 1.00 0.00 O ATOM 1956 OE2 GLU A 124 22.742 6.417 -9.241 1.00 0.00 O ATOM 0 H GLU A 124 18.340 4.645 -10.137 1.00 0.00 H new ATOM 0 HA GLU A 124 19.108 5.646 -7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 124 18.454 6.909 -10.447 1.00 0.00 H new ATOM 0 HB3 GLU A 124 19.198 7.838 -9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 124 20.382 5.195 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 124 20.772 6.708 -10.902 1.00 0.00 H new ATOM 1963 N GLU A 125 17.512 7.204 -6.637 1.00 0.00 N ATOM 1964 CA GLU A 125 16.461 7.850 -5.860 1.00 0.00 C ATOM 1965 C GLU A 125 15.832 9.061 -6.517 1.00 0.00 C ATOM 1966 O GLU A 125 14.713 9.391 -6.135 1.00 0.00 O ATOM 1967 CB GLU A 125 16.968 8.327 -4.488 1.00 0.00 C ATOM 1968 CG GLU A 125 17.250 7.212 -3.485 1.00 0.00 C ATOM 1969 CD GLU A 125 16.871 7.635 -2.063 1.00 0.00 C ATOM 1970 OE1 GLU A 125 15.660 7.636 -1.752 1.00 0.00 O ATOM 1971 OE2 GLU A 125 17.765 8.014 -1.268 1.00 0.00 O ATOM 0 H GLU A 125 18.429 7.195 -6.190 1.00 0.00 H new ATOM 0 HA GLU A 125 15.712 7.063 -5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 125 17.881 8.904 -4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 125 16.229 9.004 -4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 125 16.690 6.319 -3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 125 18.307 6.948 -3.519 1.00 0.00 H new ATOM 1978 N ASP A 126 16.468 9.748 -7.474 1.00 0.00 N ATOM 1979 CA ASP A 126 15.842 10.957 -7.976 1.00 0.00 C ATOM 1980 C ASP A 126 14.540 10.701 -8.717 1.00 0.00 C ATOM 1981 O ASP A 126 13.558 11.393 -8.415 1.00 0.00 O ATOM 1982 CB ASP A 126 16.763 11.916 -8.724 1.00 0.00 C ATOM 1983 CG ASP A 126 16.083 13.290 -8.667 1.00 0.00 C ATOM 1984 OD1 ASP A 126 16.050 13.829 -7.528 1.00 0.00 O ATOM 1985 OD2 ASP A 126 15.561 13.754 -9.701 1.00 0.00 O ATOM 0 H ASP A 126 17.365 9.500 -7.891 1.00 0.00 H new ATOM 0 HA ASP A 126 15.584 11.495 -7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 126 17.749 11.950 -8.261 1.00 0.00 H new ATOM 0 HB3 ASP A 126 16.906 11.594 -9.756 1.00 0.00 H new ATOM 1990 N PHE A 127 14.459 9.676 -9.598 1.00 0.00 N ATOM 1991 CA PHE A 127 13.173 9.592 -10.291 1.00 0.00 C ATOM 1992 C PHE A 127 12.166 9.049 -9.272 1.00 0.00 C ATOM 1993 O PHE A 127 11.004 9.428 -9.341 1.00 0.00 O ATOM 1994 CB PHE A 127 13.073 8.731 -11.565 1.00 0.00 C ATOM 1995 CG PHE A 127 12.876 7.226 -11.452 1.00 0.00 C ATOM 1996 CD1 PHE A 127 13.625 6.406 -10.594 1.00 0.00 C ATOM 1997 CD2 PHE A 127 11.810 6.657 -12.176 1.00 0.00 C ATOM 1998 CE1 PHE A 127 13.319 5.036 -10.482 1.00 0.00 C ATOM 1999 CE2 PHE A 127 11.512 5.289 -12.081 1.00 0.00 C ATOM 2000 CZ PHE A 127 12.276 4.473 -11.234 1.00 0.00 C ATOM 0 H PHE A 127 15.172 8.982 -9.822 1.00 0.00 H new ATOM 0 HA PHE A 127 12.988 10.601 -10.659 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.246 9.123 -12.157 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.984 8.897 -12.141 1.00 0.00 H new ATOM 0 HD1 PHE A 127 14.437 6.826 -10.019 1.00 0.00 H new ATOM 0 HD2 PHE A 127 11.210 7.286 -12.817 1.00 0.00 H new ATOM 0 HE1 PHE A 127 13.892 4.413 -9.811 1.00 0.00 H new ATOM 0 HE2 PHE A 127 10.700 4.868 -12.656 1.00 0.00 H new ATOM 0 HZ PHE A 127 12.063 3.417 -11.161 1.00 0.00 H new ATOM 2010 N ILE A 128 12.607 8.282 -8.259 1.00 0.00 N ATOM 2011 CA ILE A 128 11.755 7.784 -7.179 1.00 0.00 C ATOM 2012 C ILE A 128 11.177 8.991 -6.454 1.00 0.00 C ATOM 2013 O ILE A 128 9.973 9.061 -6.246 1.00 0.00 O ATOM 2014 CB ILE A 128 12.492 6.823 -6.216 1.00 0.00 C ATOM 2015 CG1 ILE A 128 12.741 5.486 -6.939 1.00 0.00 C ATOM 2016 CG2 ILE A 128 11.714 6.585 -4.904 1.00 0.00 C ATOM 2017 CD1 ILE A 128 13.535 4.497 -6.086 1.00 0.00 C ATOM 0 H ILE A 128 13.580 7.990 -8.172 1.00 0.00 H new ATOM 0 HA ILE A 128 10.954 7.179 -7.604 1.00 0.00 H new ATOM 0 HB ILE A 128 13.438 7.287 -5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 128 11.784 5.040 -7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 128 13.280 5.674 -7.868 1.00 0.00 H new ATOM 0 HG21 ILE A 128 12.277 5.904 -4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 128 11.574 7.534 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.741 6.149 -5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 128 13.682 3.572 -6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 128 14.504 4.928 -5.836 1.00 0.00 H new ATOM 0 HD13 ILE A 128 12.985 4.284 -5.169 1.00 0.00 H new ATOM 2029 N LYS A 129 12.007 9.959 -6.073 1.00 0.00 N ATOM 2030 CA LYS A 129 11.572 11.154 -5.377 1.00 0.00 C ATOM 2031 C LYS A 129 10.508 11.892 -6.162 1.00 0.00 C ATOM 2032 O LYS A 129 9.561 12.389 -5.552 1.00 0.00 O ATOM 2033 CB LYS A 129 12.782 12.073 -5.109 1.00 0.00 C ATOM 2034 CG LYS A 129 13.633 11.702 -3.881 1.00 0.00 C ATOM 2035 CD LYS A 129 14.916 12.559 -3.800 1.00 0.00 C ATOM 2036 CE LYS A 129 16.078 11.853 -4.512 1.00 0.00 C ATOM 2037 NZ LYS A 129 17.028 12.768 -5.182 1.00 0.00 N ATOM 0 H LYS A 129 13.012 9.929 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 129 11.132 10.856 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 129 13.424 12.067 -5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.421 13.094 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.044 11.840 -2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.902 10.647 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.740 13.533 -4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.176 12.738 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.623 11.252 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.671 11.165 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.762 12.213 -5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.518 13.349 -5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.473 13.386 -4.474 1.00 0.00 H new ATOM 2051 N SER A 130 10.678 12.090 -7.462 1.00 0.00 N ATOM 2052 CA SER A 130 9.679 12.795 -8.254 1.00 0.00 C ATOM 2053 C SER A 130 8.441 11.915 -8.484 1.00 0.00 C ATOM 2054 O SER A 130 7.318 12.402 -8.412 1.00 0.00 O ATOM 2055 CB SER A 130 10.318 13.283 -9.549 1.00 0.00 C ATOM 2056 OG SER A 130 9.581 14.342 -10.121 1.00 0.00 O ATOM 0 H SER A 130 11.493 11.775 -7.988 1.00 0.00 H new ATOM 0 HA SER A 130 9.323 13.671 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 130 11.338 13.613 -9.351 1.00 0.00 H new ATOM 0 HB3 SER A 130 10.382 12.458 -10.258 1.00 0.00 H new ATOM 0 HG SER A 130 10.017 14.634 -10.949 1.00 0.00 H new ATOM 2062 N GLU A 131 8.606 10.614 -8.703 1.00 0.00 N ATOM 2063 CA GLU A 131 7.538 9.657 -8.960 1.00 0.00 C ATOM 2064 C GLU A 131 6.663 9.504 -7.710 1.00 0.00 C ATOM 2065 O GLU A 131 5.437 9.561 -7.804 1.00 0.00 O ATOM 2066 CB GLU A 131 8.192 8.351 -9.444 1.00 0.00 C ATOM 2067 CG GLU A 131 7.243 7.302 -10.025 1.00 0.00 C ATOM 2068 CD GLU A 131 6.481 7.848 -11.229 1.00 0.00 C ATOM 2069 OE1 GLU A 131 7.128 8.200 -12.236 1.00 0.00 O ATOM 2070 OE2 GLU A 131 5.237 7.974 -11.167 1.00 0.00 O ATOM 0 H GLU A 131 9.529 10.180 -8.706 1.00 0.00 H new ATOM 0 HA GLU A 131 6.859 9.994 -9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.935 8.599 -10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.727 7.904 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 131 7.810 6.420 -10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 131 6.536 6.984 -9.259 1.00 0.00 H new ATOM 2077 N LEU A 132 7.269 9.400 -6.520 1.00 0.00 N ATOM 2078 CA LEU A 132 6.555 9.340 -5.247 1.00 0.00 C ATOM 2079 C LEU A 132 5.773 10.641 -5.065 1.00 0.00 C ATOM 2080 O LEU A 132 4.661 10.600 -4.538 1.00 0.00 O ATOM 2081 CB LEU A 132 7.520 9.098 -4.067 1.00 0.00 C ATOM 2082 CG LEU A 132 8.050 7.650 -3.962 1.00 0.00 C ATOM 2083 CD1 LEU A 132 9.002 7.537 -2.770 1.00 0.00 C ATOM 2084 CD2 LEU A 132 6.941 6.605 -3.787 1.00 0.00 C ATOM 0 H LEU A 132 8.283 9.355 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 132 5.864 8.497 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 132 8.368 9.776 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 132 7.010 9.353 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 132 8.557 7.442 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 132 9.375 6.515 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 132 9.840 8.220 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 132 8.470 7.795 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 132 7.384 5.612 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.383 6.816 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 132 6.266 6.644 -4.642 1.00 0.00 H new ATOM 2096 N LYS A 133 6.343 11.772 -5.502 1.00 0.00 N ATOM 2097 CA LYS A 133 5.696 13.081 -5.497 1.00 0.00 C ATOM 2098 C LYS A 133 4.526 13.129 -6.478 1.00 0.00 C ATOM 2099 O LYS A 133 3.485 13.651 -6.100 1.00 0.00 O ATOM 2100 CB LYS A 133 6.725 14.216 -5.680 1.00 0.00 C ATOM 2101 CG LYS A 133 7.402 14.557 -4.336 1.00 0.00 C ATOM 2102 CD LYS A 133 8.165 15.897 -4.358 1.00 0.00 C ATOM 2103 CE LYS A 133 9.654 15.761 -4.013 1.00 0.00 C ATOM 2104 NZ LYS A 133 10.401 15.036 -5.060 1.00 0.00 N ATOM 0 H LYS A 133 7.291 11.797 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 133 5.254 13.247 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 133 7.479 13.917 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 133 6.231 15.102 -6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.643 14.592 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 133 8.094 13.757 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 133 8.069 16.344 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.698 16.583 -3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 133 10.087 16.752 -3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 133 9.760 15.236 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 11.391 14.922 -4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 9.973 14.099 -5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 10.365 15.575 -5.949 1.00 0.00 H new ATOM 2118 N LYS A 134 4.622 12.565 -7.689 1.00 0.00 N ATOM 2119 CA LYS A 134 3.478 12.514 -8.610 1.00 0.00 C ATOM 2120 C LYS A 134 2.358 11.696 -7.972 1.00 0.00 C ATOM 2121 O LYS A 134 1.192 12.068 -8.059 1.00 0.00 O ATOM 2122 CB LYS A 134 3.850 11.894 -9.963 1.00 0.00 C ATOM 2123 CG LYS A 134 4.714 12.804 -10.850 1.00 0.00 C ATOM 2124 CD LYS A 134 4.906 12.205 -12.253 1.00 0.00 C ATOM 2125 CE LYS A 134 5.750 10.928 -12.179 1.00 0.00 C ATOM 2126 NZ LYS A 134 5.715 10.115 -13.411 1.00 0.00 N ATOM 0 H LYS A 134 5.475 12.140 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 134 3.153 13.538 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.384 10.960 -9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.935 11.643 -10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.245 13.785 -10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 134 5.686 12.954 -10.381 1.00 0.00 H new ATOM 0 HD2 LYS A 134 3.935 11.982 -12.696 1.00 0.00 H new ATOM 0 HD3 LYS A 134 5.393 12.933 -12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 134 6.784 11.199 -11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.400 10.321 -11.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 6.294 9.261 -13.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 4.734 9.840 -13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 6.093 10.671 -14.205 1.00 0.00 H new ATOM 2140 N ALA A 135 2.705 10.584 -7.321 1.00 0.00 N ATOM 2141 CA ALA A 135 1.762 9.750 -6.587 1.00 0.00 C ATOM 2142 C ALA A 135 1.310 10.405 -5.266 1.00 0.00 C ATOM 2143 O ALA A 135 0.516 9.821 -4.517 1.00 0.00 O ATOM 2144 CB ALA A 135 2.405 8.386 -6.346 1.00 0.00 C ATOM 0 H ALA A 135 3.663 10.236 -7.291 1.00 0.00 H new ATOM 0 HA ALA A 135 0.857 9.629 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.712 7.749 -5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.644 7.922 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.319 8.512 -5.766 1.00 0.00 H new