USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1005 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 87 LYS NZ :NH3+ -166:sc= 1.28 (180deg=1.18) USER MOD Set 1.2: A 136 THR OG1 : rot 74:sc= 1.23 USER MOD Set 2.1: A 103 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0) USER MOD Set 2.2: A 107 GLN : amide:sc= 0.999 K(o=2.2,f=-3.2) USER MOD Set 3.1: A 46 THR OG1 : rot 76:sc= 1.65 USER MOD Set 3.2: A 81 TYR OH : rot -2:sc= 0.4 USER MOD Set 4.1: A 74 ASN : amide:sc= -0.656 X(o=-0.34,f=-0.062) USER MOD Set 4.2: A 77 SER OG : rot 180:sc= 0.321 USER MOD Set 5.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 70 TYR OH : rot -36:sc= 0.856 USER MOD Single : A 4 ASN : amide:sc= 1.12 K(o=1.1,f=-0.4) USER MOD Single : A 5 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.59) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -77:sc= 0.87 USER MOD Single : A 13 THR OG1 : rot 70:sc= 0.973 USER MOD Single : A 16 MET CE :methyl 155:sc= 0 (180deg=-0.119) USER MOD Single : A 21 SER OG : rot 87:sc= 1.15 USER MOD Single : A 23 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.16) USER MOD Single : A 28 GLN : amide:sc= 0.823 K(o=0.82,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 151:sc= 1.3 (180deg=1.12) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.96 K(o=-0.96,f=-0.0087) USER MOD Single : A 42 SER OG : rot 82:sc= 1.32 USER MOD Single : A 44 SER OG : rot 73:sc= 0.903 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.07) USER MOD Single : A 54 SER OG : rot -180:sc= 0.979 USER MOD Single : A 55 THR OG1 : rot 79:sc= 0.803 USER MOD Single : A 64 ASN : amide:sc= 0.919 K(o=0.92,f=0) USER MOD Single : A 67 SER OG : rot -157:sc= 0.896 USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= 1.2 (180deg=1.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 1.2 K(o=1.2,f=-0.54) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -48:sc= 1.34 USER MOD Single : A 89 SER OG : rot 57:sc= 1.21 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0.00444 USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.13) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : A 131 SER OG : rot 73:sc= 1.21 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASN A 4 5.068 9.737 4.459 1.00 0.00 N ATOM 53 CA ASN A 4 6.077 10.769 4.672 1.00 0.00 C ATOM 54 C ASN A 4 6.609 10.787 6.110 1.00 0.00 C ATOM 55 O ASN A 4 7.600 11.462 6.360 1.00 0.00 O ATOM 56 CB ASN A 4 5.575 12.156 4.233 1.00 0.00 C ATOM 57 CG ASN A 4 4.781 12.908 5.300 1.00 0.00 C ATOM 58 OD1 ASN A 4 4.051 12.324 6.095 1.00 0.00 O ATOM 59 ND2 ASN A 4 4.899 14.222 5.332 1.00 0.00 N ATOM 0 HA ASN A 4 6.922 10.510 4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.432 12.763 3.940 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.950 12.039 3.348 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.380 14.764 6.023 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.509 14.696 4.666 1.00 0.00 H new ATOM 66 N HIS A 5 6.004 10.052 7.049 1.00 0.00 N ATOM 67 CA HIS A 5 6.522 9.887 8.404 1.00 0.00 C ATOM 68 C HIS A 5 7.868 9.155 8.340 1.00 0.00 C ATOM 69 O HIS A 5 8.890 9.664 8.808 1.00 0.00 O ATOM 70 CB HIS A 5 5.518 9.114 9.290 1.00 0.00 C ATOM 71 CG HIS A 5 4.088 9.106 8.802 1.00 0.00 C ATOM 72 ND1 HIS A 5 3.512 8.141 8.002 1.00 0.00 N ATOM 73 CD2 HIS A 5 3.133 10.058 9.040 1.00 0.00 C ATOM 74 CE1 HIS A 5 2.238 8.499 7.773 1.00 0.00 C ATOM 75 NE2 HIS A 5 1.955 9.664 8.386 1.00 0.00 N ATOM 0 H HIS A 5 5.131 9.551 6.884 1.00 0.00 H new ATOM 0 HA HIS A 5 6.666 10.869 8.855 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.859 8.082 9.379 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.539 9.544 10.291 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.263 10.955 9.628 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.537 7.931 7.179 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.064 10.160 8.377 1.00 0.00 H new ATOM 83 N GLU A 6 7.881 7.979 7.698 1.00 0.00 N ATOM 84 CA GLU A 6 9.098 7.189 7.546 1.00 0.00 C ATOM 85 C GLU A 6 10.054 7.922 6.620 1.00 0.00 C ATOM 86 O GLU A 6 11.256 7.969 6.864 1.00 0.00 O ATOM 87 CB GLU A 6 8.784 5.800 6.970 1.00 0.00 C ATOM 88 CG GLU A 6 7.961 4.912 7.912 1.00 0.00 C ATOM 89 CD GLU A 6 8.703 4.582 9.221 1.00 0.00 C ATOM 90 OE1 GLU A 6 9.574 3.684 9.221 1.00 0.00 O ATOM 91 OE2 GLU A 6 8.406 5.200 10.268 1.00 0.00 O ATOM 0 H GLU A 6 7.054 7.557 7.275 1.00 0.00 H new ATOM 0 HA GLU A 6 9.554 7.056 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.242 5.920 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.720 5.294 6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.022 5.413 8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.707 3.984 7.400 1.00 0.00 H new ATOM 98 N ILE A 7 9.520 8.528 5.563 1.00 0.00 N ATOM 99 CA ILE A 7 10.346 9.179 4.571 1.00 0.00 C ATOM 100 C ILE A 7 10.977 10.477 5.075 1.00 0.00 C ATOM 101 O ILE A 7 12.078 10.789 4.637 1.00 0.00 O ATOM 102 CB ILE A 7 9.540 9.264 3.262 1.00 0.00 C ATOM 103 CG1 ILE A 7 10.028 8.067 2.423 1.00 0.00 C ATOM 104 CG2 ILE A 7 9.601 10.618 2.538 1.00 0.00 C ATOM 105 CD1 ILE A 7 9.128 7.770 1.243 1.00 0.00 C ATOM 0 H ILE A 7 8.518 8.578 5.378 1.00 0.00 H new ATOM 0 HA ILE A 7 11.235 8.587 4.355 1.00 0.00 H new ATOM 0 HB ILE A 7 8.470 9.204 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.037 8.269 2.063 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.088 7.184 3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.001 10.572 1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.211 11.398 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.635 10.846 2.279 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.522 6.917 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.125 7.538 1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.088 8.640 0.588 1.00 0.00 H new ATOM 117 N ASP A 8 10.372 11.200 6.021 1.00 0.00 N ATOM 118 CA ASP A 8 11.054 12.323 6.673 1.00 0.00 C ATOM 119 C ASP A 8 12.154 11.807 7.602 1.00 0.00 C ATOM 120 O ASP A 8 13.215 12.418 7.694 1.00 0.00 O ATOM 121 CB ASP A 8 10.098 13.230 7.446 1.00 0.00 C ATOM 122 CG ASP A 8 10.873 14.399 8.085 1.00 0.00 C ATOM 123 OD1 ASP A 8 11.483 15.207 7.347 1.00 0.00 O ATOM 124 OD2 ASP A 8 10.839 14.530 9.331 1.00 0.00 O ATOM 0 H ASP A 8 9.422 11.031 6.351 1.00 0.00 H new ATOM 0 HA ASP A 8 11.495 12.927 5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.330 13.616 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.587 12.657 8.220 1.00 0.00 H new ATOM 129 N THR A 9 11.943 10.647 8.234 1.00 0.00 N ATOM 130 CA THR A 9 12.995 9.948 8.967 1.00 0.00 C ATOM 131 C THR A 9 14.167 9.626 8.017 1.00 0.00 C ATOM 132 O THR A 9 15.322 9.920 8.342 1.00 0.00 O ATOM 133 CB THR A 9 12.356 8.731 9.680 1.00 0.00 C ATOM 134 OG1 THR A 9 12.097 9.054 11.033 1.00 0.00 O ATOM 135 CG2 THR A 9 13.161 7.429 9.620 1.00 0.00 C ATOM 0 H THR A 9 11.041 10.171 8.250 1.00 0.00 H new ATOM 0 HA THR A 9 13.440 10.563 9.750 1.00 0.00 H new ATOM 0 HB THR A 9 11.439 8.531 9.126 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.691 8.283 11.481 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.622 6.643 10.150 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.300 7.135 8.580 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.134 7.581 10.088 1.00 0.00 H new ATOM 143 N ILE A 10 13.889 9.085 6.823 1.00 0.00 N ATOM 144 CA ILE A 10 14.911 8.837 5.809 1.00 0.00 C ATOM 145 C ILE A 10 15.573 10.162 5.436 1.00 0.00 C ATOM 146 O ILE A 10 16.799 10.238 5.431 1.00 0.00 O ATOM 147 CB ILE A 10 14.309 8.093 4.589 1.00 0.00 C ATOM 148 CG1 ILE A 10 13.991 6.638 4.998 1.00 0.00 C ATOM 149 CG2 ILE A 10 15.236 8.141 3.356 1.00 0.00 C ATOM 150 CD1 ILE A 10 13.276 5.831 3.911 1.00 0.00 C ATOM 0 H ILE A 10 12.949 8.809 6.538 1.00 0.00 H new ATOM 0 HA ILE A 10 15.684 8.179 6.207 1.00 0.00 H new ATOM 0 HB ILE A 10 13.390 8.599 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.921 6.133 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.372 6.650 5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.769 7.606 2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.405 9.179 3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.190 7.672 3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.087 4.820 4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.329 6.311 3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.902 5.786 3.020 1.00 0.00 H new ATOM 162 N LEU A 11 14.795 11.212 5.168 1.00 0.00 N ATOM 163 CA LEU A 11 15.326 12.488 4.716 1.00 0.00 C ATOM 164 C LEU A 11 16.247 13.106 5.756 1.00 0.00 C ATOM 165 O LEU A 11 17.301 13.601 5.390 1.00 0.00 O ATOM 166 CB LEU A 11 14.198 13.465 4.341 1.00 0.00 C ATOM 167 CG LEU A 11 14.152 13.898 2.871 1.00 0.00 C ATOM 168 CD1 LEU A 11 15.441 14.581 2.395 1.00 0.00 C ATOM 169 CD2 LEU A 11 13.791 12.723 1.960 1.00 0.00 C ATOM 0 H LEU A 11 13.779 11.196 5.260 1.00 0.00 H new ATOM 0 HA LEU A 11 15.914 12.292 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.244 13.003 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.295 14.357 4.960 1.00 0.00 H new ATOM 0 HG LEU A 11 13.365 14.649 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.339 14.861 1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.622 15.474 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.280 13.894 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.766 13.060 0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.538 11.936 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.812 12.334 2.239 1.00 0.00 H new ATOM 181 N SER A 12 15.907 13.054 7.041 1.00 0.00 N ATOM 182 CA SER A 12 16.791 13.510 8.105 1.00 0.00 C ATOM 183 C SER A 12 18.023 12.625 8.237 1.00 0.00 C ATOM 184 O SER A 12 19.096 13.147 8.540 1.00 0.00 O ATOM 185 CB SER A 12 16.024 13.606 9.423 1.00 0.00 C ATOM 186 OG SER A 12 15.042 14.622 9.308 1.00 0.00 O ATOM 0 H SER A 12 15.012 12.695 7.372 1.00 0.00 H new ATOM 0 HA SER A 12 17.150 14.505 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.553 12.651 9.656 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.707 13.833 10.241 1.00 0.00 H new ATOM 0 HG SER A 12 15.469 15.500 9.389 1.00 0.00 H new ATOM 192 N THR A 13 17.928 11.326 7.960 1.00 0.00 N ATOM 193 CA THR A 13 19.111 10.484 7.931 1.00 0.00 C ATOM 194 C THR A 13 20.026 10.887 6.764 1.00 0.00 C ATOM 195 O THR A 13 21.233 11.034 6.941 1.00 0.00 O ATOM 196 CB THR A 13 18.731 9.000 7.896 1.00 0.00 C ATOM 197 OG1 THR A 13 17.808 8.687 8.925 1.00 0.00 O ATOM 198 CG2 THR A 13 20.017 8.202 8.115 1.00 0.00 C ATOM 0 H THR A 13 17.053 10.843 7.755 1.00 0.00 H new ATOM 0 HA THR A 13 19.675 10.637 8.851 1.00 0.00 H new ATOM 0 HB THR A 13 18.263 8.758 6.942 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.942 9.098 8.723 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.791 7.136 8.097 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.729 8.435 7.323 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.449 8.465 9.081 1.00 0.00 H new ATOM 206 N LEU A 14 19.465 11.129 5.579 1.00 0.00 N ATOM 207 CA LEU A 14 20.221 11.662 4.451 1.00 0.00 C ATOM 208 C LEU A 14 20.822 13.015 4.822 1.00 0.00 C ATOM 209 O LEU A 14 22.019 13.199 4.652 1.00 0.00 O ATOM 210 CB LEU A 14 19.352 11.779 3.189 1.00 0.00 C ATOM 211 CG LEU A 14 19.392 10.555 2.258 1.00 0.00 C ATOM 212 CD1 LEU A 14 20.793 10.220 1.732 1.00 0.00 C ATOM 213 CD2 LEU A 14 18.782 9.298 2.881 1.00 0.00 C ATOM 0 H LEU A 14 18.479 10.961 5.377 1.00 0.00 H new ATOM 0 HA LEU A 14 21.027 10.964 4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.319 11.953 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.671 12.656 2.626 1.00 0.00 H new ATOM 0 HG LEU A 14 18.775 10.863 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.739 9.346 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 14 21.182 11.067 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.456 10.008 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.843 8.473 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.330 9.038 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.738 9.486 3.130 1.00 0.00 H new ATOM 225 N ARG A 15 20.033 13.943 5.369 1.00 0.00 N ATOM 226 CA ARG A 15 20.500 15.287 5.719 1.00 0.00 C ATOM 227 C ARG A 15 21.624 15.225 6.758 1.00 0.00 C ATOM 228 O ARG A 15 22.570 16.001 6.644 1.00 0.00 O ATOM 229 CB ARG A 15 19.333 16.184 6.183 1.00 0.00 C ATOM 230 CG ARG A 15 18.419 16.617 5.017 1.00 0.00 C ATOM 231 CD ARG A 15 17.215 17.486 5.428 1.00 0.00 C ATOM 232 NE ARG A 15 16.236 16.789 6.297 1.00 0.00 N ATOM 233 CZ ARG A 15 14.907 16.682 6.101 1.00 0.00 C ATOM 234 NH1 ARG A 15 14.307 17.259 5.066 1.00 0.00 N ATOM 235 NH2 ARG A 15 14.177 15.969 6.954 1.00 0.00 N ATOM 0 H ARG A 15 19.049 13.783 5.582 1.00 0.00 H new ATOM 0 HA ARG A 15 20.914 15.744 4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 15 18.741 15.649 6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 15 19.734 17.071 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 15 19.016 17.169 4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 15 18.049 15.724 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 15 17.580 18.372 5.948 1.00 0.00 H new ATOM 0 HD3 ARG A 15 16.705 17.831 4.528 1.00 0.00 H new ATOM 0 HE ARG A 15 16.609 16.342 7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.854 17.799 4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.299 17.162 4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.624 15.510 7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.170 15.882 6.815 1.00 0.00 H new ATOM 249 N MET A 16 21.568 14.321 7.746 1.00 0.00 N ATOM 250 CA MET A 16 22.659 14.207 8.721 1.00 0.00 C ATOM 251 C MET A 16 23.951 13.658 8.094 1.00 0.00 C ATOM 252 O MET A 16 25.040 14.012 8.548 1.00 0.00 O ATOM 253 CB MET A 16 22.242 13.423 9.982 1.00 0.00 C ATOM 254 CG MET A 16 22.135 11.909 9.819 1.00 0.00 C ATOM 255 SD MET A 16 21.802 10.967 11.336 1.00 0.00 S ATOM 256 CE MET A 16 20.154 11.589 11.781 1.00 0.00 C ATOM 0 H MET A 16 20.795 13.671 7.889 1.00 0.00 H new ATOM 0 HA MET A 16 22.882 15.222 9.049 1.00 0.00 H new ATOM 0 HB2 MET A 16 22.962 13.634 10.773 1.00 0.00 H new ATOM 0 HB3 MET A 16 21.277 13.802 10.320 1.00 0.00 H new ATOM 0 HG2 MET A 16 21.343 11.696 9.101 1.00 0.00 H new ATOM 0 HG3 MET A 16 23.066 11.543 9.385 1.00 0.00 H new ATOM 0 HE1 MET A 16 19.634 10.843 12.382 1.00 0.00 H new ATOM 0 HE2 MET A 16 20.255 12.510 12.354 1.00 0.00 H new ATOM 0 HE3 MET A 16 19.583 11.787 10.874 1.00 0.00 H new ATOM 266 N GLU A 17 23.853 12.807 7.067 1.00 0.00 N ATOM 267 CA GLU A 17 25.010 12.140 6.457 1.00 0.00 C ATOM 268 C GLU A 17 25.586 12.928 5.273 1.00 0.00 C ATOM 269 O GLU A 17 26.782 12.834 4.986 1.00 0.00 O ATOM 270 CB GLU A 17 24.596 10.721 6.007 1.00 0.00 C ATOM 271 CG GLU A 17 25.238 9.669 6.916 1.00 0.00 C ATOM 272 CD GLU A 17 24.711 8.238 6.708 1.00 0.00 C ATOM 273 OE1 GLU A 17 24.135 7.908 5.649 1.00 0.00 O ATOM 274 OE2 GLU A 17 24.876 7.406 7.628 1.00 0.00 O ATOM 0 H GLU A 17 22.964 12.560 6.633 1.00 0.00 H new ATOM 0 HA GLU A 17 25.799 12.083 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.511 10.624 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.902 10.555 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 17 26.315 9.673 6.751 1.00 0.00 H new ATOM 0 HG3 GLU A 17 25.074 9.956 7.955 1.00 0.00 H new ATOM 281 N ALA A 18 24.735 13.680 4.580 1.00 0.00 N ATOM 282 CA ALA A 18 25.022 14.347 3.330 1.00 0.00 C ATOM 283 C ALA A 18 26.047 15.469 3.482 1.00 0.00 C ATOM 284 O ALA A 18 26.244 16.047 4.555 1.00 0.00 O ATOM 285 CB ALA A 18 23.707 14.926 2.793 1.00 0.00 C ATOM 0 H ALA A 18 23.780 13.844 4.898 1.00 0.00 H new ATOM 0 HA ALA A 18 25.453 13.619 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 18 23.893 15.436 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 18 22.992 14.119 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 18 23.300 15.635 3.514 1.00 0.00 H new ATOM 291 N ASP A 19 26.687 15.772 2.355 1.00 0.00 N ATOM 292 CA ASP A 19 27.527 16.963 2.215 1.00 0.00 C ATOM 293 C ASP A 19 26.597 18.189 2.143 1.00 0.00 C ATOM 294 O ASP A 19 25.570 18.103 1.461 1.00 0.00 O ATOM 295 CB ASP A 19 28.373 16.873 0.941 1.00 0.00 C ATOM 296 CG ASP A 19 29.223 18.138 0.755 1.00 0.00 C ATOM 297 OD1 ASP A 19 28.715 19.118 0.168 1.00 0.00 O ATOM 298 OD2 ASP A 19 30.395 18.144 1.194 1.00 0.00 O ATOM 0 H ASP A 19 26.639 15.200 1.512 1.00 0.00 H new ATOM 0 HA ASP A 19 28.205 17.046 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 19 29.022 15.999 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 19 27.723 16.737 0.077 1.00 0.00 H new ATOM 303 N PRO A 20 26.916 19.328 2.793 1.00 0.00 N ATOM 304 CA PRO A 20 26.080 20.528 2.788 1.00 0.00 C ATOM 305 C PRO A 20 25.588 20.993 1.413 1.00 0.00 C ATOM 306 O PRO A 20 24.481 21.528 1.319 1.00 0.00 O ATOM 307 CB PRO A 20 26.912 21.613 3.472 1.00 0.00 C ATOM 308 CG PRO A 20 27.767 20.816 4.452 1.00 0.00 C ATOM 309 CD PRO A 20 28.046 19.521 3.692 1.00 0.00 C ATOM 0 HA PRO A 20 25.150 20.303 3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 20 27.523 22.164 2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 20 26.284 22.342 3.984 1.00 0.00 H new ATOM 0 HG2 PRO A 20 28.688 21.342 4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 20 27.240 20.629 5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 20 28.980 19.590 3.134 1.00 0.00 H new ATOM 0 HD3 PRO A 20 28.146 18.680 4.378 1.00 0.00 H new ATOM 317 N SER A 21 26.361 20.773 0.343 1.00 0.00 N ATOM 318 CA SER A 21 25.989 21.162 -1.018 1.00 0.00 C ATOM 319 C SER A 21 24.673 20.505 -1.463 1.00 0.00 C ATOM 320 O SER A 21 23.963 21.040 -2.316 1.00 0.00 O ATOM 321 CB SER A 21 27.109 20.772 -1.997 1.00 0.00 C ATOM 322 OG SER A 21 28.394 21.064 -1.479 1.00 0.00 O ATOM 0 H SER A 21 27.271 20.315 0.401 1.00 0.00 H new ATOM 0 HA SER A 21 25.845 22.242 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 21 27.041 19.707 -2.219 1.00 0.00 H new ATOM 0 HB3 SER A 21 26.969 21.303 -2.938 1.00 0.00 H new ATOM 0 HG SER A 21 28.712 20.306 -0.945 1.00 0.00 H new ATOM 328 N LEU A 22 24.349 19.341 -0.892 1.00 0.00 N ATOM 329 CA LEU A 22 23.226 18.504 -1.293 1.00 0.00 C ATOM 330 C LEU A 22 21.954 18.875 -0.524 1.00 0.00 C ATOM 331 O LEU A 22 20.872 18.435 -0.901 1.00 0.00 O ATOM 332 CB LEU A 22 23.561 17.027 -1.007 1.00 0.00 C ATOM 333 CG LEU A 22 24.939 16.524 -1.487 1.00 0.00 C ATOM 334 CD1 LEU A 22 25.160 15.106 -0.952 1.00 0.00 C ATOM 335 CD2 LEU A 22 25.090 16.544 -3.013 1.00 0.00 C ATOM 0 H LEU A 22 24.880 18.948 -0.115 1.00 0.00 H new ATOM 0 HA LEU A 22 23.051 18.661 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 22 23.495 16.865 0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.793 16.408 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 22 25.695 17.206 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.131 14.739 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 22 25.131 15.120 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 22 24.376 14.449 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 22 26.080 16.179 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 22 24.331 15.904 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 22 24.966 17.564 -3.378 1.00 0.00 H new ATOM 347 N HIS A 23 22.056 19.638 0.570 1.00 0.00 N ATOM 348 CA HIS A 23 20.933 19.864 1.473 1.00 0.00 C ATOM 349 C HIS A 23 19.753 20.597 0.807 1.00 0.00 C ATOM 350 O HIS A 23 18.645 20.066 0.876 1.00 0.00 O ATOM 351 CB HIS A 23 21.399 20.571 2.755 1.00 0.00 C ATOM 352 CG HIS A 23 22.341 19.780 3.640 1.00 0.00 C ATOM 353 ND1 HIS A 23 22.828 20.216 4.853 1.00 0.00 N ATOM 354 CD2 HIS A 23 22.857 18.523 3.432 1.00 0.00 C ATOM 355 CE1 HIS A 23 23.616 19.253 5.360 1.00 0.00 C ATOM 356 NE2 HIS A 23 23.671 18.204 4.523 1.00 0.00 N ATOM 0 H HIS A 23 22.915 20.111 0.849 1.00 0.00 H new ATOM 0 HA HIS A 23 20.547 18.882 1.746 1.00 0.00 H new ATOM 0 HB2 HIS A 23 21.890 21.503 2.475 1.00 0.00 H new ATOM 0 HB3 HIS A 23 20.519 20.838 3.340 1.00 0.00 H new ATOM 0 HD2 HIS A 23 22.667 17.892 2.576 1.00 0.00 H new ATOM 0 HE1 HIS A 23 24.132 19.314 6.307 1.00 0.00 H new ATOM 0 HE2 HIS A 23 24.202 17.344 4.657 1.00 0.00 H new ATOM 364 N PRO A 24 19.915 21.754 0.126 1.00 0.00 N ATOM 365 CA PRO A 24 18.768 22.439 -0.475 1.00 0.00 C ATOM 366 C PRO A 24 18.182 21.640 -1.646 1.00 0.00 C ATOM 367 O PRO A 24 16.975 21.683 -1.893 1.00 0.00 O ATOM 368 CB PRO A 24 19.282 23.815 -0.908 1.00 0.00 C ATOM 369 CG PRO A 24 20.782 23.603 -1.100 1.00 0.00 C ATOM 370 CD PRO A 24 21.125 22.548 -0.050 1.00 0.00 C ATOM 0 HA PRO A 24 17.946 22.539 0.234 1.00 0.00 H new ATOM 0 HB2 PRO A 24 18.804 24.148 -1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 24 19.079 24.573 -0.152 1.00 0.00 H new ATOM 0 HG2 PRO A 24 21.014 23.258 -2.108 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.342 24.525 -0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 24 21.957 21.925 -0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 24 21.427 23.014 0.888 1.00 0.00 H new ATOM 378 N LEU A 25 19.014 20.880 -2.362 1.00 0.00 N ATOM 379 CA LEU A 25 18.563 19.946 -3.376 1.00 0.00 C ATOM 380 C LEU A 25 17.689 18.855 -2.755 1.00 0.00 C ATOM 381 O LEU A 25 16.662 18.497 -3.331 1.00 0.00 O ATOM 382 CB LEU A 25 19.812 19.380 -4.055 1.00 0.00 C ATOM 383 CG LEU A 25 19.533 18.417 -5.213 1.00 0.00 C ATOM 384 CD1 LEU A 25 18.709 19.076 -6.324 1.00 0.00 C ATOM 385 CD2 LEU A 25 20.893 17.995 -5.759 1.00 0.00 C ATOM 0 H LEU A 25 20.027 20.902 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 25 17.938 20.440 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.413 20.209 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 25 20.412 18.862 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 25 18.950 17.567 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.535 18.356 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.752 19.407 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.252 19.934 -6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.753 17.305 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 25 21.435 18.875 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 25 21.465 17.503 -4.972 1.00 0.00 H new ATOM 397 N PHE A 26 18.044 18.364 -1.563 1.00 0.00 N ATOM 398 CA PHE A 26 17.236 17.376 -0.868 1.00 0.00 C ATOM 399 C PHE A 26 15.886 17.933 -0.415 1.00 0.00 C ATOM 400 O PHE A 26 14.920 17.175 -0.380 1.00 0.00 O ATOM 401 CB PHE A 26 17.986 16.720 0.305 1.00 0.00 C ATOM 402 CG PHE A 26 18.622 15.375 -0.011 1.00 0.00 C ATOM 403 CD1 PHE A 26 17.904 14.385 -0.718 1.00 0.00 C ATOM 404 CD2 PHE A 26 19.922 15.087 0.446 1.00 0.00 C ATOM 405 CE1 PHE A 26 18.485 13.139 -0.995 1.00 0.00 C ATOM 406 CE2 PHE A 26 20.492 13.827 0.198 1.00 0.00 C ATOM 407 CZ PHE A 26 19.775 12.855 -0.525 1.00 0.00 C ATOM 0 H PHE A 26 18.890 18.640 -1.064 1.00 0.00 H new ATOM 0 HA PHE A 26 17.033 16.595 -1.601 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.765 17.402 0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 26 17.291 16.590 1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 26 16.897 14.590 -1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 26 20.482 15.835 0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.941 12.402 -1.567 1.00 0.00 H new ATOM 0 HE2 PHE A 26 21.483 13.603 0.563 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.219 11.890 -0.718 1.00 0.00 H new ATOM 417 N GLU A 27 15.772 19.228 -0.109 1.00 0.00 N ATOM 418 CA GLU A 27 14.478 19.816 0.245 1.00 0.00 C ATOM 419 C GLU A 27 13.534 19.814 -0.968 1.00 0.00 C ATOM 420 O GLU A 27 12.329 19.602 -0.821 1.00 0.00 O ATOM 421 CB GLU A 27 14.654 21.242 0.794 1.00 0.00 C ATOM 422 CG GLU A 27 15.470 21.321 2.094 1.00 0.00 C ATOM 423 CD GLU A 27 14.813 20.566 3.263 1.00 0.00 C ATOM 424 OE1 GLU A 27 15.096 19.362 3.450 1.00 0.00 O ATOM 425 OE2 GLU A 27 14.027 21.186 4.018 1.00 0.00 O ATOM 0 H GLU A 27 16.553 19.884 -0.099 1.00 0.00 H new ATOM 0 HA GLU A 27 14.031 19.205 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.141 21.854 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.670 21.676 0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.465 20.912 1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.600 22.367 2.372 1.00 0.00 H new ATOM 432 N GLN A 28 14.071 20.005 -2.177 1.00 0.00 N ATOM 433 CA GLN A 28 13.285 19.933 -3.408 1.00 0.00 C ATOM 434 C GLN A 28 12.904 18.475 -3.691 1.00 0.00 C ATOM 435 O GLN A 28 11.738 18.183 -3.948 1.00 0.00 O ATOM 436 CB GLN A 28 14.086 20.556 -4.561 1.00 0.00 C ATOM 437 CG GLN A 28 14.249 22.075 -4.379 1.00 0.00 C ATOM 438 CD GLN A 28 15.421 22.615 -5.195 1.00 0.00 C ATOM 439 OE1 GLN A 28 15.285 22.966 -6.366 1.00 0.00 O ATOM 440 NE2 GLN A 28 16.597 22.688 -4.592 1.00 0.00 N ATOM 0 H GLN A 28 15.058 20.213 -2.327 1.00 0.00 H new ATOM 0 HA GLN A 28 12.360 20.499 -3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.069 20.088 -4.617 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.582 20.354 -5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.331 22.579 -4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.404 22.301 -3.324 1.00 0.00 H new ATOM 0 HE21 GLN A 28 16.691 22.392 -3.620 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.409 23.040 -5.099 1.00 0.00 H new ATOM 449 N PHE A 29 13.862 17.551 -3.562 1.00 0.00 N ATOM 450 CA PHE A 29 13.628 16.114 -3.702 1.00 0.00 C ATOM 451 C PHE A 29 12.502 15.665 -2.756 1.00 0.00 C ATOM 452 O PHE A 29 11.563 15.000 -3.192 1.00 0.00 O ATOM 453 CB PHE A 29 14.959 15.401 -3.417 1.00 0.00 C ATOM 454 CG PHE A 29 14.908 13.902 -3.211 1.00 0.00 C ATOM 455 CD1 PHE A 29 14.628 13.390 -1.928 1.00 0.00 C ATOM 456 CD2 PHE A 29 15.186 13.019 -4.270 1.00 0.00 C ATOM 457 CE1 PHE A 29 14.599 12.006 -1.714 1.00 0.00 C ATOM 458 CE2 PHE A 29 15.122 11.631 -4.058 1.00 0.00 C ATOM 459 CZ PHE A 29 14.824 11.127 -2.782 1.00 0.00 C ATOM 0 H PHE A 29 14.833 17.785 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 29 13.298 15.860 -4.709 1.00 0.00 H new ATOM 0 HB2 PHE A 29 15.637 15.606 -4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 29 15.399 15.850 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 29 14.435 14.066 -1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 29 15.448 13.407 -5.243 1.00 0.00 H new ATOM 0 HE1 PHE A 29 14.403 11.616 -0.726 1.00 0.00 H new ATOM 0 HE2 PHE A 29 15.302 10.951 -4.878 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.768 10.060 -2.623 1.00 0.00 H new ATOM 469 N GLU A 30 12.546 16.093 -1.489 1.00 0.00 N ATOM 470 CA GLU A 30 11.506 15.821 -0.503 1.00 0.00 C ATOM 471 C GLU A 30 10.146 16.258 -1.041 1.00 0.00 C ATOM 472 O GLU A 30 9.211 15.454 -1.090 1.00 0.00 O ATOM 473 CB GLU A 30 11.849 16.551 0.810 1.00 0.00 C ATOM 474 CG GLU A 30 10.680 16.613 1.807 1.00 0.00 C ATOM 475 CD GLU A 30 11.083 17.326 3.112 1.00 0.00 C ATOM 476 OE1 GLU A 30 11.837 16.744 3.925 1.00 0.00 O ATOM 477 OE2 GLU A 30 10.626 18.469 3.343 1.00 0.00 O ATOM 0 H GLU A 30 13.319 16.646 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 30 11.456 14.751 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.693 16.050 1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.171 17.566 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.840 17.136 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.341 15.602 2.034 1.00 0.00 H new ATOM 484 N LYS A 31 10.029 17.529 -1.442 1.00 0.00 N ATOM 485 CA LYS A 31 8.737 18.087 -1.817 1.00 0.00 C ATOM 486 C LYS A 31 8.181 17.357 -3.036 1.00 0.00 C ATOM 487 O LYS A 31 6.976 17.123 -3.102 1.00 0.00 O ATOM 488 CB LYS A 31 8.817 19.622 -1.929 1.00 0.00 C ATOM 489 CG LYS A 31 8.962 20.255 -3.322 1.00 0.00 C ATOM 490 CD LYS A 31 7.676 20.177 -4.159 1.00 0.00 C ATOM 491 CE LYS A 31 7.478 21.445 -5.000 1.00 0.00 C ATOM 492 NZ LYS A 31 6.260 21.361 -5.843 1.00 0.00 N ATOM 0 H LYS A 31 10.810 18.181 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 31 8.002 17.915 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.918 20.034 -1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.662 19.954 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.253 21.300 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.768 19.755 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.719 19.307 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.819 20.038 -3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.406 22.311 -4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.350 21.600 -5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.881 22.316 -6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.500 20.928 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.544 20.779 -5.362 1.00 0.00 H new ATOM 506 N PHE A 32 9.038 16.972 -3.985 1.00 0.00 N ATOM 507 CA PHE A 32 8.588 16.268 -5.174 1.00 0.00 C ATOM 508 C PHE A 32 8.044 14.885 -4.832 1.00 0.00 C ATOM 509 O PHE A 32 6.986 14.542 -5.356 1.00 0.00 O ATOM 510 CB PHE A 32 9.687 16.203 -6.242 1.00 0.00 C ATOM 511 CG PHE A 32 10.064 17.544 -6.849 1.00 0.00 C ATOM 512 CD1 PHE A 32 9.068 18.425 -7.318 1.00 0.00 C ATOM 513 CD2 PHE A 32 11.419 17.905 -6.975 1.00 0.00 C ATOM 514 CE1 PHE A 32 9.422 19.669 -7.866 1.00 0.00 C ATOM 515 CE2 PHE A 32 11.774 19.141 -7.540 1.00 0.00 C ATOM 516 CZ PHE A 32 10.777 20.029 -7.979 1.00 0.00 C ATOM 0 H PHE A 32 10.044 17.138 -3.948 1.00 0.00 H new ATOM 0 HA PHE A 32 7.764 16.840 -5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.578 15.756 -5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.359 15.537 -7.041 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.028 18.142 -7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.189 17.228 -6.636 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.653 20.350 -8.201 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.816 19.410 -7.637 1.00 0.00 H new ATOM 0 HZ PHE A 32 11.050 20.985 -8.402 1.00 0.00 H new ATOM 526 N TYR A 33 8.674 14.107 -3.940 1.00 0.00 N ATOM 527 CA TYR A 33 8.071 12.845 -3.506 1.00 0.00 C ATOM 528 C TYR A 33 6.739 13.123 -2.802 1.00 0.00 C ATOM 529 O TYR A 33 5.749 12.444 -3.075 1.00 0.00 O ATOM 530 CB TYR A 33 9.013 12.024 -2.606 1.00 0.00 C ATOM 531 CG TYR A 33 8.304 10.857 -1.930 1.00 0.00 C ATOM 532 CD1 TYR A 33 8.245 9.602 -2.563 1.00 0.00 C ATOM 533 CD2 TYR A 33 7.617 11.056 -0.714 1.00 0.00 C ATOM 534 CE1 TYR A 33 7.476 8.561 -2.010 1.00 0.00 C ATOM 535 CE2 TYR A 33 6.830 10.028 -0.164 1.00 0.00 C ATOM 536 CZ TYR A 33 6.745 8.778 -0.817 1.00 0.00 C ATOM 537 OH TYR A 33 5.974 7.790 -0.279 1.00 0.00 O ATOM 0 H TYR A 33 9.576 14.323 -3.516 1.00 0.00 H new ATOM 0 HA TYR A 33 7.888 12.239 -4.394 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.842 11.644 -3.204 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.441 12.675 -1.844 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.793 9.436 -3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.696 12.004 -0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.444 7.597 -2.496 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.291 10.194 0.757 1.00 0.00 H new ATOM 0 HH TYR A 33 5.547 8.118 0.540 1.00 0.00 H new ATOM 547 N GLU A 34 6.693 14.138 -1.933 1.00 0.00 N ATOM 548 CA GLU A 34 5.517 14.453 -1.126 1.00 0.00 C ATOM 549 C GLU A 34 4.321 14.923 -1.983 1.00 0.00 C ATOM 550 O GLU A 34 3.192 14.957 -1.491 1.00 0.00 O ATOM 551 CB GLU A 34 5.925 15.460 -0.037 1.00 0.00 C ATOM 552 CG GLU A 34 4.926 15.522 1.128 1.00 0.00 C ATOM 553 CD GLU A 34 5.506 16.289 2.329 1.00 0.00 C ATOM 554 OE1 GLU A 34 5.369 17.533 2.387 1.00 0.00 O ATOM 555 OE2 GLU A 34 6.075 15.645 3.240 1.00 0.00 O ATOM 0 H GLU A 34 7.479 14.767 -1.771 1.00 0.00 H new ATOM 0 HA GLU A 34 5.156 13.547 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.908 15.191 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.017 16.451 -0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.008 16.006 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.660 14.510 1.435 1.00 0.00 H new ATOM 562 N GLU A 35 4.534 15.219 -3.271 1.00 0.00 N ATOM 563 CA GLU A 35 3.489 15.557 -4.238 1.00 0.00 C ATOM 564 C GLU A 35 3.442 14.553 -5.408 1.00 0.00 C ATOM 565 O GLU A 35 2.695 14.759 -6.365 1.00 0.00 O ATOM 566 CB GLU A 35 3.656 17.014 -4.710 1.00 0.00 C ATOM 567 CG GLU A 35 3.415 18.024 -3.577 1.00 0.00 C ATOM 568 CD GLU A 35 3.215 19.449 -4.119 1.00 0.00 C ATOM 569 OE1 GLU A 35 4.203 20.096 -4.529 1.00 0.00 O ATOM 570 OE2 GLU A 35 2.062 19.943 -4.125 1.00 0.00 O ATOM 0 H GLU A 35 5.469 15.229 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 35 2.521 15.479 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.661 17.152 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.960 17.212 -5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.537 17.726 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.262 18.011 -2.891 1.00 0.00 H new ATOM 577 N LYS A 36 4.182 13.438 -5.319 1.00 0.00 N ATOM 578 CA LYS A 36 4.215 12.339 -6.293 1.00 0.00 C ATOM 579 C LYS A 36 4.800 12.743 -7.656 1.00 0.00 C ATOM 580 O LYS A 36 4.499 12.111 -8.671 1.00 0.00 O ATOM 581 CB LYS A 36 2.821 11.684 -6.391 1.00 0.00 C ATOM 582 CG LYS A 36 2.888 10.201 -6.787 1.00 0.00 C ATOM 583 CD LYS A 36 1.507 9.545 -6.927 1.00 0.00 C ATOM 584 CE LYS A 36 0.726 10.106 -8.126 1.00 0.00 C ATOM 585 NZ LYS A 36 -0.586 9.436 -8.307 1.00 0.00 N ATOM 0 H LYS A 36 4.803 13.271 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 36 4.914 11.587 -5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.312 11.777 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.221 12.224 -7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.424 10.109 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.466 9.658 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.627 8.468 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.934 9.705 -6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.569 11.176 -7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.320 9.987 -9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.076 9.848 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.437 8.419 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.165 9.571 -7.454 1.00 0.00 H new ATOM 599 N LEU A 37 5.647 13.775 -7.722 1.00 0.00 N ATOM 600 CA LEU A 37 6.359 14.138 -8.949 1.00 0.00 C ATOM 601 C LEU A 37 7.595 13.271 -9.093 1.00 0.00 C ATOM 602 O LEU A 37 8.719 13.763 -9.009 1.00 0.00 O ATOM 603 CB LEU A 37 6.678 15.647 -9.049 1.00 0.00 C ATOM 604 CG LEU A 37 5.516 16.539 -9.521 1.00 0.00 C ATOM 605 CD1 LEU A 37 4.820 15.968 -10.767 1.00 0.00 C ATOM 606 CD2 LEU A 37 4.493 16.752 -8.411 1.00 0.00 C ATOM 0 H LEU A 37 5.857 14.380 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 37 5.695 13.943 -9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.007 15.997 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.516 15.779 -9.734 1.00 0.00 H new ATOM 0 HG LEU A 37 5.953 17.501 -9.787 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.007 16.630 -11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.540 15.889 -11.582 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.419 14.980 -10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.686 17.386 -8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.086 15.789 -8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.975 17.233 -7.560 1.00 0.00 H new ATOM 618 N TRP A 38 7.367 11.981 -9.339 1.00 0.00 N ATOM 619 CA TRP A 38 8.415 10.977 -9.555 1.00 0.00 C ATOM 620 C TRP A 38 9.505 11.464 -10.520 1.00 0.00 C ATOM 621 O TRP A 38 10.685 11.154 -10.343 1.00 0.00 O ATOM 622 CB TRP A 38 7.842 9.680 -10.146 1.00 0.00 C ATOM 623 CG TRP A 38 6.649 9.013 -9.532 1.00 0.00 C ATOM 624 CD1 TRP A 38 5.631 8.495 -10.253 1.00 0.00 C ATOM 625 CD2 TRP A 38 6.383 8.625 -8.147 1.00 0.00 C ATOM 626 NE1 TRP A 38 4.744 7.846 -9.424 1.00 0.00 N ATOM 627 CE2 TRP A 38 5.185 7.847 -8.119 1.00 0.00 C ATOM 628 CE3 TRP A 38 7.050 8.810 -6.917 1.00 0.00 C ATOM 629 CZ2 TRP A 38 4.689 7.265 -6.942 1.00 0.00 C ATOM 630 CZ3 TRP A 38 6.547 8.250 -5.727 1.00 0.00 C ATOM 631 CH2 TRP A 38 5.375 7.474 -5.736 1.00 0.00 C ATOM 0 H TRP A 38 6.425 11.593 -9.396 1.00 0.00 H new ATOM 0 HA TRP A 38 8.844 10.798 -8.569 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.592 9.887 -11.187 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.649 8.948 -10.152 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.528 8.578 -11.325 1.00 0.00 H new ATOM 0 HE1 TRP A 38 3.872 7.419 -9.736 1.00 0.00 H new ATOM 0 HE3 TRP A 38 7.960 9.390 -6.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.792 6.665 -6.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 7.068 8.419 -4.796 1.00 0.00 H new ATOM 0 HH2 TRP A 38 5.004 7.041 -4.819 1.00 0.00 H new ATOM 642 N PHE A 39 9.120 12.209 -11.558 1.00 0.00 N ATOM 643 CA PHE A 39 10.060 12.640 -12.577 1.00 0.00 C ATOM 644 C PHE A 39 10.952 13.758 -12.035 1.00 0.00 C ATOM 645 O PHE A 39 12.169 13.629 -12.099 1.00 0.00 O ATOM 646 CB PHE A 39 9.299 13.033 -13.851 1.00 0.00 C ATOM 647 CG PHE A 39 8.241 12.028 -14.297 1.00 0.00 C ATOM 648 CD1 PHE A 39 8.512 10.640 -14.323 1.00 0.00 C ATOM 649 CD2 PHE A 39 6.957 12.487 -14.656 1.00 0.00 C ATOM 650 CE1 PHE A 39 7.507 9.732 -14.701 1.00 0.00 C ATOM 651 CE2 PHE A 39 5.957 11.575 -15.038 1.00 0.00 C ATOM 652 CZ PHE A 39 6.231 10.197 -15.060 1.00 0.00 C ATOM 0 H PHE A 39 8.161 12.523 -11.709 1.00 0.00 H new ATOM 0 HA PHE A 39 10.726 11.820 -12.846 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.818 13.998 -13.688 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.017 13.167 -14.660 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.492 10.277 -14.052 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.740 13.545 -14.638 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.717 8.673 -14.715 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.977 11.934 -15.315 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.462 9.497 -15.352 1.00 0.00 H new ATOM 662 N GLN A 40 10.396 14.834 -11.453 1.00 0.00 N ATOM 663 CA GLN A 40 11.204 15.950 -10.920 1.00 0.00 C ATOM 664 C GLN A 40 12.040 15.495 -9.721 1.00 0.00 C ATOM 665 O GLN A 40 13.178 15.925 -9.522 1.00 0.00 O ATOM 666 CB GLN A 40 10.298 17.134 -10.528 1.00 0.00 C ATOM 667 CG GLN A 40 9.312 17.604 -11.614 1.00 0.00 C ATOM 668 CD GLN A 40 9.992 17.974 -12.934 1.00 0.00 C ATOM 669 OE1 GLN A 40 10.155 19.143 -13.271 1.00 0.00 O ATOM 670 NE2 GLN A 40 10.401 16.978 -13.708 1.00 0.00 N ATOM 0 H GLN A 40 9.390 14.957 -11.338 1.00 0.00 H new ATOM 0 HA GLN A 40 11.886 16.280 -11.704 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.729 16.855 -9.641 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.931 17.976 -10.248 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.583 16.815 -11.798 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.760 18.468 -11.244 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.258 16.012 -13.414 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.858 17.178 -14.597 1.00 0.00 H new ATOM 679 N LEU A 41 11.474 14.571 -8.954 1.00 0.00 N ATOM 680 CA LEU A 41 12.148 13.837 -7.903 1.00 0.00 C ATOM 681 C LEU A 41 13.401 13.150 -8.453 1.00 0.00 C ATOM 682 O LEU A 41 14.477 13.282 -7.868 1.00 0.00 O ATOM 683 CB LEU A 41 11.115 12.828 -7.394 1.00 0.00 C ATOM 684 CG LEU A 41 11.610 11.793 -6.380 1.00 0.00 C ATOM 685 CD1 LEU A 41 12.032 12.505 -5.106 1.00 0.00 C ATOM 686 CD2 LEU A 41 10.468 10.819 -6.082 1.00 0.00 C ATOM 0 H LEU A 41 10.494 14.306 -9.055 1.00 0.00 H new ATOM 0 HA LEU A 41 12.493 14.482 -7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.292 13.382 -6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.707 12.295 -8.253 1.00 0.00 H new ATOM 0 HG LEU A 41 12.463 11.245 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.385 11.773 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.833 13.209 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.180 13.045 -4.692 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.804 10.074 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.621 11.367 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.165 10.321 -7.003 1.00 0.00 H new ATOM 698 N SER A 42 13.282 12.465 -9.594 1.00 0.00 N ATOM 699 CA SER A 42 14.412 11.822 -10.250 1.00 0.00 C ATOM 700 C SER A 42 15.428 12.841 -10.759 1.00 0.00 C ATOM 701 O SER A 42 16.618 12.562 -10.672 1.00 0.00 O ATOM 702 CB SER A 42 13.945 10.930 -11.402 1.00 0.00 C ATOM 703 OG SER A 42 13.032 9.965 -10.932 1.00 0.00 O ATOM 0 H SER A 42 12.396 12.344 -10.085 1.00 0.00 H new ATOM 0 HA SER A 42 14.902 11.201 -9.500 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.476 11.538 -12.175 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.802 10.437 -11.860 1.00 0.00 H new ATOM 0 HG SER A 42 12.139 10.363 -10.868 1.00 0.00 H new ATOM 709 N GLU A 43 15.025 14.019 -11.246 1.00 0.00 N ATOM 710 CA GLU A 43 15.988 15.052 -11.651 1.00 0.00 C ATOM 711 C GLU A 43 16.787 15.491 -10.436 1.00 0.00 C ATOM 712 O GLU A 43 18.007 15.614 -10.502 1.00 0.00 O ATOM 713 CB GLU A 43 15.319 16.309 -12.228 1.00 0.00 C ATOM 714 CG GLU A 43 14.365 16.012 -13.372 1.00 0.00 C ATOM 715 CD GLU A 43 15.077 15.474 -14.628 1.00 0.00 C ATOM 716 OE1 GLU A 43 15.670 16.278 -15.383 1.00 0.00 O ATOM 717 OE2 GLU A 43 15.037 14.251 -14.890 1.00 0.00 O ATOM 0 H GLU A 43 14.047 14.281 -11.369 1.00 0.00 H new ATOM 0 HA GLU A 43 16.612 14.605 -12.425 1.00 0.00 H new ATOM 0 HB2 GLU A 43 14.774 16.819 -11.433 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.091 16.995 -12.577 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.625 15.283 -13.041 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.823 16.921 -13.630 1.00 0.00 H new ATOM 724 N SER A 44 16.088 15.695 -9.320 1.00 0.00 N ATOM 725 CA SER A 44 16.716 16.158 -8.088 1.00 0.00 C ATOM 726 C SER A 44 17.743 15.121 -7.611 1.00 0.00 C ATOM 727 O SER A 44 18.888 15.458 -7.300 1.00 0.00 O ATOM 728 CB SER A 44 15.642 16.440 -7.033 1.00 0.00 C ATOM 729 OG SER A 44 14.657 17.325 -7.539 1.00 0.00 O ATOM 0 H SER A 44 15.082 15.545 -9.246 1.00 0.00 H new ATOM 0 HA SER A 44 17.250 17.091 -8.266 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.173 15.505 -6.726 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.103 16.872 -6.145 1.00 0.00 H new ATOM 0 HG SER A 44 14.090 16.850 -8.182 1.00 0.00 H new ATOM 735 N LEU A 45 17.354 13.844 -7.638 1.00 0.00 N ATOM 736 CA LEU A 45 18.235 12.732 -7.316 1.00 0.00 C ATOM 737 C LEU A 45 19.385 12.612 -8.325 1.00 0.00 C ATOM 738 O LEU A 45 20.508 12.295 -7.942 1.00 0.00 O ATOM 739 CB LEU A 45 17.396 11.448 -7.252 1.00 0.00 C ATOM 740 CG LEU A 45 18.130 10.250 -6.626 1.00 0.00 C ATOM 741 CD1 LEU A 45 18.588 10.510 -5.182 1.00 0.00 C ATOM 742 CD2 LEU A 45 17.184 9.045 -6.619 1.00 0.00 C ATOM 0 H LEU A 45 16.408 13.556 -7.887 1.00 0.00 H new ATOM 0 HA LEU A 45 18.701 12.906 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.491 11.646 -6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.082 11.181 -8.261 1.00 0.00 H new ATOM 0 HG LEU A 45 19.021 10.069 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.099 9.627 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.270 11.360 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.721 10.727 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 45 17.691 8.187 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.296 9.283 -6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.891 8.807 -7.641 1.00 0.00 H new ATOM 754 N THR A 46 19.147 12.907 -9.604 1.00 0.00 N ATOM 755 CA THR A 46 20.175 12.850 -10.636 1.00 0.00 C ATOM 756 C THR A 46 21.192 13.981 -10.449 1.00 0.00 C ATOM 757 O THR A 46 22.387 13.742 -10.594 1.00 0.00 O ATOM 758 CB THR A 46 19.512 12.862 -12.021 1.00 0.00 C ATOM 759 OG1 THR A 46 18.672 11.730 -12.129 1.00 0.00 O ATOM 760 CG2 THR A 46 20.519 12.808 -13.171 1.00 0.00 C ATOM 0 H THR A 46 18.231 13.193 -9.951 1.00 0.00 H new ATOM 0 HA THR A 46 20.736 11.919 -10.551 1.00 0.00 H new ATOM 0 HB THR A 46 18.961 13.799 -12.103 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.853 11.880 -11.613 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.986 12.819 -14.122 1.00 0.00 H new ATOM 0 HG22 THR A 46 21.181 13.672 -13.116 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.108 11.894 -13.096 1.00 0.00 H new ATOM 768 N LYS A 47 20.771 15.190 -10.064 1.00 0.00 N ATOM 769 CA LYS A 47 21.701 16.273 -9.745 1.00 0.00 C ATOM 770 C LYS A 47 22.569 15.884 -8.547 1.00 0.00 C ATOM 771 O LYS A 47 23.777 16.102 -8.571 1.00 0.00 O ATOM 772 CB LYS A 47 20.928 17.575 -9.487 1.00 0.00 C ATOM 773 CG LYS A 47 20.359 18.174 -10.782 1.00 0.00 C ATOM 774 CD LYS A 47 19.496 19.408 -10.488 1.00 0.00 C ATOM 775 CE LYS A 47 18.949 19.986 -11.801 1.00 0.00 C ATOM 776 NZ LYS A 47 18.120 21.198 -11.582 1.00 0.00 N ATOM 0 H LYS A 47 19.787 15.442 -9.966 1.00 0.00 H new ATOM 0 HA LYS A 47 22.363 16.443 -10.594 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.113 17.381 -8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.588 18.300 -9.012 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.176 18.449 -11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 47 19.762 17.424 -11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 47 18.672 19.138 -9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 47 20.088 20.161 -9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.781 20.232 -12.461 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.353 19.228 -12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.774 21.552 -12.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.311 20.960 -10.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.694 21.933 -11.122 1.00 0.00 H new ATOM 790 N PHE A 48 21.976 15.250 -7.533 1.00 0.00 N ATOM 791 CA PHE A 48 22.687 14.742 -6.361 1.00 0.00 C ATOM 792 C PHE A 48 23.734 13.701 -6.779 1.00 0.00 C ATOM 793 O PHE A 48 24.872 13.740 -6.310 1.00 0.00 O ATOM 794 CB PHE A 48 21.624 14.216 -5.378 1.00 0.00 C ATOM 795 CG PHE A 48 22.005 13.111 -4.411 1.00 0.00 C ATOM 796 CD1 PHE A 48 21.876 11.764 -4.801 1.00 0.00 C ATOM 797 CD2 PHE A 48 22.327 13.418 -3.078 1.00 0.00 C ATOM 798 CE1 PHE A 48 21.999 10.736 -3.853 1.00 0.00 C ATOM 799 CE2 PHE A 48 22.494 12.385 -2.140 1.00 0.00 C ATOM 800 CZ PHE A 48 22.302 11.046 -2.518 1.00 0.00 C ATOM 0 H PHE A 48 20.972 15.073 -7.504 1.00 0.00 H new ATOM 0 HA PHE A 48 23.259 15.520 -5.856 1.00 0.00 H new ATOM 0 HB2 PHE A 48 21.272 15.063 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 48 20.777 13.862 -5.966 1.00 0.00 H new ATOM 0 HD1 PHE A 48 21.681 11.521 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 48 22.446 14.448 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 48 21.861 9.707 -4.151 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.771 12.622 -1.123 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.387 10.258 -1.784 1.00 0.00 H new ATOM 810 N PHE A 49 23.379 12.805 -7.703 1.00 0.00 N ATOM 811 CA PHE A 49 24.295 11.824 -8.267 1.00 0.00 C ATOM 812 C PHE A 49 25.405 12.483 -9.095 1.00 0.00 C ATOM 813 O PHE A 49 26.568 12.092 -8.977 1.00 0.00 O ATOM 814 CB PHE A 49 23.473 10.803 -9.070 1.00 0.00 C ATOM 815 CG PHE A 49 24.237 9.953 -10.068 1.00 0.00 C ATOM 816 CD1 PHE A 49 24.799 8.717 -9.688 1.00 0.00 C ATOM 817 CD2 PHE A 49 24.337 10.382 -11.407 1.00 0.00 C ATOM 818 CE1 PHE A 49 25.440 7.915 -10.649 1.00 0.00 C ATOM 819 CE2 PHE A 49 24.991 9.584 -12.361 1.00 0.00 C ATOM 820 CZ PHE A 49 25.540 8.347 -11.983 1.00 0.00 C ATOM 0 H PHE A 49 22.434 12.744 -8.082 1.00 0.00 H new ATOM 0 HA PHE A 49 24.818 11.302 -7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.975 10.137 -8.366 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.692 11.341 -9.607 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.737 8.387 -8.661 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.909 11.329 -11.701 1.00 0.00 H new ATOM 0 HE1 PHE A 49 25.858 6.962 -10.361 1.00 0.00 H new ATOM 0 HE2 PHE A 49 25.072 9.921 -13.384 1.00 0.00 H new ATOM 0 HZ PHE A 49 26.038 7.729 -12.716 1.00 0.00 H new ATOM 830 N ASP A 50 25.082 13.495 -9.903 1.00 0.00 N ATOM 831 CA ASP A 50 26.035 14.141 -10.805 1.00 0.00 C ATOM 832 C ASP A 50 27.048 14.986 -10.032 1.00 0.00 C ATOM 833 O ASP A 50 28.217 15.052 -10.413 1.00 0.00 O ATOM 834 CB ASP A 50 25.287 15.025 -11.809 1.00 0.00 C ATOM 835 CG ASP A 50 26.270 15.762 -12.734 1.00 0.00 C ATOM 836 OD1 ASP A 50 26.864 15.118 -13.628 1.00 0.00 O ATOM 837 OD2 ASP A 50 26.428 16.996 -12.598 1.00 0.00 O ATOM 0 H ASP A 50 24.143 13.892 -9.949 1.00 0.00 H new ATOM 0 HA ASP A 50 26.577 13.359 -11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 50 24.611 14.412 -12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 50 24.673 15.749 -11.274 1.00 0.00 H new ATOM 842 N ASP A 51 26.627 15.588 -8.913 1.00 0.00 N ATOM 843 CA ASP A 51 27.495 16.372 -8.029 1.00 0.00 C ATOM 844 C ASP A 51 28.467 15.492 -7.223 1.00 0.00 C ATOM 845 O ASP A 51 29.304 16.008 -6.482 1.00 0.00 O ATOM 846 CB ASP A 51 26.649 17.266 -7.109 1.00 0.00 C ATOM 847 CG ASP A 51 27.497 18.370 -6.455 1.00 0.00 C ATOM 848 OD1 ASP A 51 28.175 19.132 -7.180 1.00 0.00 O ATOM 849 OD2 ASP A 51 27.470 18.509 -5.213 1.00 0.00 O ATOM 0 H ASP A 51 25.660 15.543 -8.593 1.00 0.00 H new ATOM 0 HA ASP A 51 28.115 17.009 -8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.841 17.719 -7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.185 16.656 -6.334 1.00 0.00 H new ATOM 854 N ALA A 52 28.371 14.164 -7.383 1.00 0.00 N ATOM 855 CA ALA A 52 29.270 13.105 -6.918 1.00 0.00 C ATOM 856 C ALA A 52 29.370 12.900 -5.400 1.00 0.00 C ATOM 857 O ALA A 52 29.615 11.770 -4.981 1.00 0.00 O ATOM 858 CB ALA A 52 30.659 13.264 -7.549 1.00 0.00 C ATOM 0 H ALA A 52 27.581 13.768 -7.893 1.00 0.00 H new ATOM 0 HA ALA A 52 28.797 12.186 -7.263 1.00 0.00 H new ATOM 0 HB1 ALA A 52 31.314 12.469 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.575 13.205 -8.634 1.00 0.00 H new ATOM 0 HB3 ALA A 52 31.077 14.231 -7.269 1.00 0.00 H new ATOM 864 N LYS A 53 29.138 13.927 -4.579 1.00 0.00 N ATOM 865 CA LYS A 53 29.376 13.931 -3.128 1.00 0.00 C ATOM 866 C LYS A 53 28.939 12.653 -2.404 1.00 0.00 C ATOM 867 O LYS A 53 29.669 12.102 -1.582 1.00 0.00 O ATOM 868 CB LYS A 53 28.568 15.068 -2.483 1.00 0.00 C ATOM 869 CG LYS A 53 28.797 16.502 -2.963 1.00 0.00 C ATOM 870 CD LYS A 53 30.210 16.991 -2.665 1.00 0.00 C ATOM 871 CE LYS A 53 30.391 18.486 -2.960 1.00 0.00 C ATOM 872 NZ LYS A 53 30.100 18.838 -4.372 1.00 0.00 N ATOM 0 H LYS A 53 28.765 14.814 -4.917 1.00 0.00 H new ATOM 0 HA LYS A 53 30.456 14.038 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.511 14.840 -2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.763 15.044 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.614 16.558 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.077 17.164 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 53 30.443 16.800 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 53 30.922 16.418 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 53 29.736 19.062 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 53 31.414 18.776 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.505 19.771 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 30.520 18.125 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.071 18.865 -4.518 1.00 0.00 H new ATOM 886 N SER A 54 27.718 12.222 -2.703 1.00 0.00 N ATOM 887 CA SER A 54 26.972 11.199 -2.000 1.00 0.00 C ATOM 888 C SER A 54 27.259 9.743 -2.350 1.00 0.00 C ATOM 889 O SER A 54 26.552 8.891 -1.823 1.00 0.00 O ATOM 890 CB SER A 54 25.504 11.520 -2.281 1.00 0.00 C ATOM 891 OG SER A 54 25.286 11.830 -3.659 1.00 0.00 O ATOM 0 H SER A 54 27.196 12.605 -3.492 1.00 0.00 H new ATOM 0 HA SER A 54 27.271 11.244 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 54 24.884 10.669 -1.997 1.00 0.00 H new ATOM 0 HB3 SER A 54 25.191 12.363 -1.664 1.00 0.00 H new ATOM 0 HG SER A 54 24.338 12.031 -3.803 1.00 0.00 H new ATOM 897 N THR A 55 28.228 9.420 -3.207 1.00 0.00 N ATOM 898 CA THR A 55 28.383 8.069 -3.749 1.00 0.00 C ATOM 899 C THR A 55 28.155 6.904 -2.756 1.00 0.00 C ATOM 900 O THR A 55 27.247 6.113 -3.019 1.00 0.00 O ATOM 901 CB THR A 55 29.646 8.032 -4.625 1.00 0.00 C ATOM 902 OG1 THR A 55 29.447 8.941 -5.696 1.00 0.00 O ATOM 903 CG2 THR A 55 29.895 6.662 -5.236 1.00 0.00 C ATOM 0 H THR A 55 28.925 10.084 -3.544 1.00 0.00 H new ATOM 0 HA THR A 55 27.540 7.852 -4.405 1.00 0.00 H new ATOM 0 HB THR A 55 30.500 8.285 -3.997 1.00 0.00 H new ATOM 0 HG1 THR A 55 29.598 9.856 -5.380 1.00 0.00 H new ATOM 0 HG21 THR A 55 30.799 6.694 -5.844 1.00 0.00 H new ATOM 0 HG22 THR A 55 30.018 5.926 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 55 29.047 6.383 -5.861 1.00 0.00 H new ATOM 911 N PRO A 56 28.843 6.782 -1.609 1.00 0.00 N ATOM 912 CA PRO A 56 28.531 5.754 -0.616 1.00 0.00 C ATOM 913 C PRO A 56 27.118 5.863 -0.017 1.00 0.00 C ATOM 914 O PRO A 56 26.439 4.849 0.148 1.00 0.00 O ATOM 915 CB PRO A 56 29.599 5.905 0.475 1.00 0.00 C ATOM 916 CG PRO A 56 30.767 6.545 -0.270 1.00 0.00 C ATOM 917 CD PRO A 56 30.076 7.462 -1.272 1.00 0.00 C ATOM 0 HA PRO A 56 28.541 4.773 -1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 56 29.251 6.533 1.295 1.00 0.00 H new ATOM 0 HB3 PRO A 56 29.874 4.942 0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 56 31.418 7.102 0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 56 31.386 5.798 -0.767 1.00 0.00 H new ATOM 0 HD2 PRO A 56 29.881 8.444 -0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 56 30.695 7.620 -2.155 1.00 0.00 H new ATOM 925 N LEU A 57 26.661 7.074 0.330 1.00 0.00 N ATOM 926 CA LEU A 57 25.424 7.271 1.093 1.00 0.00 C ATOM 927 C LEU A 57 24.152 7.180 0.237 1.00 0.00 C ATOM 928 O LEU A 57 23.055 7.130 0.798 1.00 0.00 O ATOM 929 CB LEU A 57 25.509 8.492 2.034 1.00 0.00 C ATOM 930 CG LEU A 57 25.531 9.882 1.371 1.00 0.00 C ATOM 931 CD1 LEU A 57 24.152 10.543 1.324 1.00 0.00 C ATOM 932 CD2 LEU A 57 26.503 10.820 2.091 1.00 0.00 C ATOM 0 H LEU A 57 27.139 7.942 0.089 1.00 0.00 H new ATOM 0 HA LEU A 57 25.323 6.417 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 57 24.659 8.455 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 57 26.409 8.391 2.640 1.00 0.00 H new ATOM 0 HG LEU A 57 25.862 9.714 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.233 11.519 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 57 23.467 9.915 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 57 23.773 10.666 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 57 26.498 11.794 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.196 10.934 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 57 27.508 10.400 2.054 1.00 0.00 H new ATOM 944 N ARG A 58 24.257 7.057 -1.096 1.00 0.00 N ATOM 945 CA ARG A 58 23.090 6.767 -1.952 1.00 0.00 C ATOM 946 C ARG A 58 22.448 5.421 -1.629 1.00 0.00 C ATOM 947 O ARG A 58 21.287 5.219 -1.979 1.00 0.00 O ATOM 948 CB ARG A 58 23.417 6.787 -3.458 1.00 0.00 C ATOM 949 CG ARG A 58 24.263 7.985 -3.882 1.00 0.00 C ATOM 950 CD ARG A 58 24.180 8.297 -5.378 1.00 0.00 C ATOM 951 NE ARG A 58 24.945 9.528 -5.627 1.00 0.00 N ATOM 952 CZ ARG A 58 26.212 9.591 -6.046 1.00 0.00 C ATOM 953 NH1 ARG A 58 26.786 8.579 -6.685 1.00 0.00 N ATOM 954 NH2 ARG A 58 26.914 10.680 -5.775 1.00 0.00 N ATOM 0 H ARG A 58 25.135 7.153 -1.606 1.00 0.00 H new ATOM 0 HA ARG A 58 22.392 7.574 -1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 58 23.944 5.869 -3.719 1.00 0.00 H new ATOM 0 HB3 ARG A 58 22.485 6.792 -4.024 1.00 0.00 H new ATOM 0 HG2 ARG A 58 23.944 8.862 -3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 58 25.303 7.797 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 58 24.585 7.471 -5.963 1.00 0.00 H new ATOM 0 HD3 ARG A 58 23.142 8.425 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 58 24.465 10.413 -5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 58 26.258 7.726 -6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 58 27.755 8.655 -6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 58 26.486 11.447 -5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 58 27.883 10.752 -6.084 1.00 0.00 H new ATOM 968 N LEU A 59 23.166 4.499 -0.979 1.00 0.00 N ATOM 969 CA LEU A 59 22.661 3.155 -0.699 1.00 0.00 C ATOM 970 C LEU A 59 21.349 3.199 0.091 1.00 0.00 C ATOM 971 O LEU A 59 20.439 2.427 -0.214 1.00 0.00 O ATOM 972 CB LEU A 59 23.732 2.325 0.033 1.00 0.00 C ATOM 973 CG LEU A 59 24.949 1.971 -0.849 1.00 0.00 C ATOM 974 CD1 LEU A 59 26.090 1.408 0.006 1.00 0.00 C ATOM 975 CD2 LEU A 59 24.598 0.959 -1.946 1.00 0.00 C ATOM 0 H LEU A 59 24.111 4.665 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 59 22.442 2.669 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 59 24.076 2.880 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 59 23.279 1.404 0.399 1.00 0.00 H new ATOM 0 HG LEU A 59 25.266 2.897 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 59 26.938 1.165 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 59 26.393 2.151 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 59 25.751 0.507 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 59 25.487 0.743 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 59 24.234 0.039 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 59 23.824 1.375 -2.591 1.00 0.00 H new ATOM 987 N ARG A 60 21.205 4.128 1.051 1.00 0.00 N ATOM 988 CA ARG A 60 19.943 4.285 1.792 1.00 0.00 C ATOM 989 C ARG A 60 18.815 4.670 0.842 1.00 0.00 C ATOM 990 O ARG A 60 17.709 4.137 0.945 1.00 0.00 O ATOM 991 CB ARG A 60 20.030 5.369 2.883 1.00 0.00 C ATOM 992 CG ARG A 60 21.084 5.100 3.965 1.00 0.00 C ATOM 993 CD ARG A 60 20.990 6.190 5.042 1.00 0.00 C ATOM 994 NE ARG A 60 22.050 6.072 6.053 1.00 0.00 N ATOM 995 CZ ARG A 60 22.053 5.285 7.135 1.00 0.00 C ATOM 996 NH1 ARG A 60 21.058 4.429 7.366 1.00 0.00 N ATOM 997 NH2 ARG A 60 23.062 5.367 7.989 1.00 0.00 N ATOM 0 H ARG A 60 21.941 4.777 1.330 1.00 0.00 H new ATOM 0 HA ARG A 60 19.746 3.323 2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 60 20.250 6.326 2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 60 19.055 5.466 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 60 20.924 4.118 4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 60 22.081 5.092 3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 60 21.050 7.170 4.569 1.00 0.00 H new ATOM 0 HD3 ARG A 60 20.017 6.131 5.531 1.00 0.00 H new ATOM 0 HE ARG A 60 22.875 6.655 5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 60 20.277 4.366 6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 60 21.077 3.837 8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 60 23.823 6.024 7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 60 23.078 4.773 8.818 1.00 0.00 H new ATOM 1011 N LEU A 61 19.101 5.613 -0.052 1.00 0.00 N ATOM 1012 CA LEU A 61 18.148 6.220 -0.966 1.00 0.00 C ATOM 1013 C LEU A 61 17.647 5.164 -1.956 1.00 0.00 C ATOM 1014 O LEU A 61 16.442 5.024 -2.162 1.00 0.00 O ATOM 1015 CB LEU A 61 18.858 7.414 -1.643 1.00 0.00 C ATOM 1016 CG LEU A 61 17.957 8.585 -2.062 1.00 0.00 C ATOM 1017 CD1 LEU A 61 16.970 8.169 -3.146 1.00 0.00 C ATOM 1018 CD2 LEU A 61 17.214 9.207 -0.872 1.00 0.00 C ATOM 0 H LEU A 61 20.043 5.988 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 61 17.262 6.596 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.619 7.793 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.378 7.047 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 61 18.618 9.349 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.348 9.022 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.517 7.824 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.338 7.364 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.591 10.030 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.586 8.452 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.937 9.582 -0.147 1.00 0.00 H new ATOM 1030 N TYR A 62 18.554 4.361 -2.512 1.00 0.00 N ATOM 1031 CA TYR A 62 18.193 3.253 -3.382 1.00 0.00 C ATOM 1032 C TYR A 62 17.334 2.223 -2.631 1.00 0.00 C ATOM 1033 O TYR A 62 16.245 1.875 -3.090 1.00 0.00 O ATOM 1034 CB TYR A 62 19.476 2.611 -3.944 1.00 0.00 C ATOM 1035 CG TYR A 62 19.303 1.163 -4.370 1.00 0.00 C ATOM 1036 CD1 TYR A 62 18.660 0.843 -5.582 1.00 0.00 C ATOM 1037 CD2 TYR A 62 19.700 0.134 -3.492 1.00 0.00 C ATOM 1038 CE1 TYR A 62 18.402 -0.502 -5.907 1.00 0.00 C ATOM 1039 CE2 TYR A 62 19.439 -1.209 -3.807 1.00 0.00 C ATOM 1040 CZ TYR A 62 18.785 -1.533 -5.016 1.00 0.00 C ATOM 1041 OH TYR A 62 18.539 -2.834 -5.335 1.00 0.00 O ATOM 0 H TYR A 62 19.559 4.464 -2.369 1.00 0.00 H new ATOM 0 HA TYR A 62 17.593 3.626 -4.212 1.00 0.00 H new ATOM 0 HB2 TYR A 62 19.817 3.193 -4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.260 2.666 -3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.365 1.629 -6.261 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.208 0.380 -2.571 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.911 -0.748 -6.837 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.738 -1.993 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 62 18.866 -3.414 -4.616 1.00 0.00 H new ATOM 1051 N ASP A 63 17.806 1.760 -1.468 1.00 0.00 N ATOM 1052 CA ASP A 63 17.213 0.610 -0.789 1.00 0.00 C ATOM 1053 C ASP A 63 15.879 0.887 -0.096 1.00 0.00 C ATOM 1054 O ASP A 63 15.038 -0.011 -0.031 1.00 0.00 O ATOM 1055 CB ASP A 63 18.210 0.048 0.229 1.00 0.00 C ATOM 1056 CG ASP A 63 17.666 -1.220 0.911 1.00 0.00 C ATOM 1057 OD1 ASP A 63 17.555 -2.271 0.239 1.00 0.00 O ATOM 1058 OD2 ASP A 63 17.398 -1.189 2.132 1.00 0.00 O ATOM 0 H ASP A 63 18.601 2.169 -0.978 1.00 0.00 H new ATOM 0 HA ASP A 63 16.992 -0.113 -1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.151 -0.182 -0.271 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.426 0.804 0.984 1.00 0.00 H new ATOM 1063 N ASN A 64 15.643 2.113 0.390 1.00 0.00 N ATOM 1064 CA ASN A 64 14.494 2.398 1.263 1.00 0.00 C ATOM 1065 C ASN A 64 13.522 3.413 0.679 1.00 0.00 C ATOM 1066 O ASN A 64 12.439 3.588 1.242 1.00 0.00 O ATOM 1067 CB ASN A 64 14.951 2.945 2.627 1.00 0.00 C ATOM 1068 CG ASN A 64 15.954 2.068 3.351 1.00 0.00 C ATOM 1069 OD1 ASN A 64 15.600 1.187 4.130 1.00 0.00 O ATOM 1070 ND2 ASN A 64 17.226 2.325 3.110 1.00 0.00 N ATOM 0 H ASN A 64 16.231 2.923 0.194 1.00 0.00 H new ATOM 0 HA ASN A 64 13.986 1.440 1.368 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.390 3.932 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.076 3.076 3.263 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.953 1.784 3.578 1.00 0.00 H new ATOM 0 HD22 ASN A 64 17.482 3.065 2.456 1.00 0.00 H new ATOM 1077 N PHE A 65 13.887 4.105 -0.401 1.00 0.00 N ATOM 1078 CA PHE A 65 13.122 5.242 -0.893 1.00 0.00 C ATOM 1079 C PHE A 65 12.755 4.990 -2.356 1.00 0.00 C ATOM 1080 O PHE A 65 11.575 4.814 -2.649 1.00 0.00 O ATOM 1081 CB PHE A 65 13.940 6.516 -0.627 1.00 0.00 C ATOM 1082 CG PHE A 65 13.193 7.825 -0.801 1.00 0.00 C ATOM 1083 CD1 PHE A 65 12.733 8.225 -2.069 1.00 0.00 C ATOM 1084 CD2 PHE A 65 12.995 8.678 0.299 1.00 0.00 C ATOM 1085 CE1 PHE A 65 12.043 9.441 -2.224 1.00 0.00 C ATOM 1086 CE2 PHE A 65 12.337 9.905 0.136 1.00 0.00 C ATOM 1087 CZ PHE A 65 11.846 10.284 -1.121 1.00 0.00 C ATOM 0 H PHE A 65 14.717 3.892 -0.954 1.00 0.00 H new ATOM 0 HA PHE A 65 12.172 5.378 -0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 65 14.326 6.472 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.801 6.519 -1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 65 12.911 7.595 -2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.352 8.386 1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.664 9.726 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.208 10.562 0.983 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.319 11.219 -1.239 1.00 0.00 H new ATOM 1097 N VAL A 66 13.733 4.876 -3.262 1.00 0.00 N ATOM 1098 CA VAL A 66 13.477 4.603 -4.682 1.00 0.00 C ATOM 1099 C VAL A 66 12.790 3.243 -4.864 1.00 0.00 C ATOM 1100 O VAL A 66 11.989 3.080 -5.785 1.00 0.00 O ATOM 1101 CB VAL A 66 14.793 4.754 -5.482 1.00 0.00 C ATOM 1102 CG1 VAL A 66 14.728 4.275 -6.939 1.00 0.00 C ATOM 1103 CG2 VAL A 66 15.205 6.232 -5.518 1.00 0.00 C ATOM 0 H VAL A 66 14.722 4.970 -3.033 1.00 0.00 H new ATOM 0 HA VAL A 66 12.776 5.335 -5.084 1.00 0.00 H new ATOM 0 HB VAL A 66 15.509 4.119 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.698 4.422 -7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.469 3.216 -6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.970 4.846 -7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 66 16.132 6.338 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.420 6.817 -5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.356 6.593 -4.500 1.00 0.00 H new ATOM 1113 N SER A 67 13.011 2.293 -3.952 1.00 0.00 N ATOM 1114 CA SER A 67 12.333 1.006 -3.924 1.00 0.00 C ATOM 1115 C SER A 67 10.803 1.118 -3.909 1.00 0.00 C ATOM 1116 O SER A 67 10.120 0.233 -4.430 1.00 0.00 O ATOM 1117 CB SER A 67 12.870 0.211 -2.727 1.00 0.00 C ATOM 1118 OG SER A 67 12.971 1.027 -1.570 1.00 0.00 O ATOM 0 H SER A 67 13.685 2.406 -3.195 1.00 0.00 H new ATOM 0 HA SER A 67 12.551 0.477 -4.852 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.211 -0.633 -2.523 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.849 -0.201 -2.971 1.00 0.00 H new ATOM 0 HG SER A 67 13.625 0.639 -0.952 1.00 0.00 H new ATOM 1124 N LYS A 68 10.244 2.205 -3.365 1.00 0.00 N ATOM 1125 CA LYS A 68 8.796 2.419 -3.310 1.00 0.00 C ATOM 1126 C LYS A 68 8.213 2.819 -4.671 1.00 0.00 C ATOM 1127 O LYS A 68 6.988 2.821 -4.811 1.00 0.00 O ATOM 1128 CB LYS A 68 8.475 3.470 -2.232 1.00 0.00 C ATOM 1129 CG LYS A 68 8.760 2.934 -0.818 1.00 0.00 C ATOM 1130 CD LYS A 68 8.739 4.062 0.221 1.00 0.00 C ATOM 1131 CE LYS A 68 8.724 3.551 1.672 1.00 0.00 C ATOM 1132 NZ LYS A 68 9.895 2.702 2.010 1.00 0.00 N ATOM 0 H LYS A 68 10.786 2.963 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 68 8.322 1.474 -3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.069 4.367 -2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.427 3.761 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.017 2.181 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.732 2.441 -0.803 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.613 4.697 0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.861 4.685 0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.695 4.404 2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.810 2.980 1.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.035 2.698 3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.726 1.730 1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.745 3.083 1.547 1.00 0.00 H new ATOM 1146 N PHE A 69 9.041 3.147 -5.668 1.00 0.00 N ATOM 1147 CA PHE A 69 8.604 3.593 -6.989 1.00 0.00 C ATOM 1148 C PHE A 69 9.557 3.087 -8.084 1.00 0.00 C ATOM 1149 O PHE A 69 9.819 3.786 -9.067 1.00 0.00 O ATOM 1150 CB PHE A 69 8.359 5.119 -6.998 1.00 0.00 C ATOM 1151 CG PHE A 69 9.469 5.987 -6.433 1.00 0.00 C ATOM 1152 CD1 PHE A 69 9.462 6.321 -5.065 1.00 0.00 C ATOM 1153 CD2 PHE A 69 10.480 6.499 -7.268 1.00 0.00 C ATOM 1154 CE1 PHE A 69 10.466 7.143 -4.533 1.00 0.00 C ATOM 1155 CE2 PHE A 69 11.489 7.320 -6.734 1.00 0.00 C ATOM 1156 CZ PHE A 69 11.483 7.637 -5.365 1.00 0.00 C ATOM 0 H PHE A 69 10.056 3.108 -5.574 1.00 0.00 H new ATOM 0 HA PHE A 69 7.639 3.145 -7.225 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.174 5.429 -8.027 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.448 5.321 -6.435 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.680 5.943 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.481 6.261 -8.321 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.457 7.396 -3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.267 7.706 -7.375 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.262 8.261 -4.952 1.00 0.00 H new ATOM 1166 N TYR A 70 10.076 1.860 -7.933 1.00 0.00 N ATOM 1167 CA TYR A 70 10.801 1.192 -9.012 1.00 0.00 C ATOM 1168 C TYR A 70 9.901 1.136 -10.254 1.00 0.00 C ATOM 1169 O TYR A 70 8.679 1.018 -10.137 1.00 0.00 O ATOM 1170 CB TYR A 70 11.187 -0.247 -8.628 1.00 0.00 C ATOM 1171 CG TYR A 70 12.304 -0.473 -7.618 1.00 0.00 C ATOM 1172 CD1 TYR A 70 13.438 0.364 -7.558 1.00 0.00 C ATOM 1173 CD2 TYR A 70 12.246 -1.617 -6.798 1.00 0.00 C ATOM 1174 CE1 TYR A 70 14.494 0.072 -6.672 1.00 0.00 C ATOM 1175 CE2 TYR A 70 13.297 -1.921 -5.916 1.00 0.00 C ATOM 1176 CZ TYR A 70 14.425 -1.072 -5.842 1.00 0.00 C ATOM 1177 OH TYR A 70 15.411 -1.348 -4.947 1.00 0.00 O ATOM 0 H TYR A 70 10.005 1.315 -7.074 1.00 0.00 H new ATOM 0 HA TYR A 70 11.713 1.756 -9.208 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.292 -0.735 -8.242 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.463 -0.768 -9.545 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.497 1.234 -8.195 1.00 0.00 H new ATOM 0 HD2 TYR A 70 11.385 -2.267 -6.848 1.00 0.00 H new ATOM 0 HE1 TYR A 70 15.356 0.721 -6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 70 13.243 -2.803 -5.295 1.00 0.00 H new ATOM 0 HH TYR A 70 16.278 -1.091 -5.326 1.00 0.00 H new ATOM 1187 N ASP A 71 10.512 1.194 -11.440 1.00 0.00 N ATOM 1188 CA ASP A 71 9.889 1.161 -12.773 1.00 0.00 C ATOM 1189 C ASP A 71 8.952 2.340 -13.092 1.00 0.00 C ATOM 1190 O ASP A 71 8.783 2.684 -14.262 1.00 0.00 O ATOM 1191 CB ASP A 71 9.229 -0.196 -13.043 1.00 0.00 C ATOM 1192 CG ASP A 71 8.851 -0.328 -14.522 1.00 0.00 C ATOM 1193 OD1 ASP A 71 9.764 -0.519 -15.355 1.00 0.00 O ATOM 1194 OD2 ASP A 71 7.643 -0.287 -14.845 1.00 0.00 O ATOM 0 H ASP A 71 11.527 1.271 -11.502 1.00 0.00 H new ATOM 0 HA ASP A 71 10.714 1.291 -13.473 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.910 -1.000 -12.763 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.338 -0.303 -12.424 1.00 0.00 H new ATOM 1199 N LYS A 72 8.392 3.024 -12.082 1.00 0.00 N ATOM 1200 CA LYS A 72 7.681 4.297 -12.266 1.00 0.00 C ATOM 1201 C LYS A 72 8.668 5.368 -12.747 1.00 0.00 C ATOM 1202 O LYS A 72 8.244 6.364 -13.335 1.00 0.00 O ATOM 1203 CB LYS A 72 6.998 4.761 -10.966 1.00 0.00 C ATOM 1204 CG LYS A 72 5.598 4.173 -10.744 1.00 0.00 C ATOM 1205 CD LYS A 72 5.583 2.646 -10.578 1.00 0.00 C ATOM 1206 CE LYS A 72 4.187 2.134 -10.199 1.00 0.00 C ATOM 1207 NZ LYS A 72 3.199 2.248 -11.302 1.00 0.00 N ATOM 0 H LYS A 72 8.420 2.708 -11.113 1.00 0.00 H new ATOM 0 HA LYS A 72 6.902 4.145 -13.013 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.631 4.491 -10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.925 5.849 -10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.160 4.629 -9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.963 4.443 -11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.904 2.175 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.299 2.356 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.261 1.090 -9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.824 2.693 -9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.278 1.886 -10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.101 3.246 -11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.525 1.692 -12.119 1.00 0.00 H new ATOM 1221 N ILE A 73 9.967 5.150 -12.531 1.00 0.00 N ATOM 1222 CA ILE A 73 11.058 5.948 -13.063 1.00 0.00 C ATOM 1223 C ILE A 73 12.028 5.013 -13.781 1.00 0.00 C ATOM 1224 O ILE A 73 11.936 3.787 -13.661 1.00 0.00 O ATOM 1225 CB ILE A 73 11.736 6.783 -11.955 1.00 0.00 C ATOM 1226 CG1 ILE A 73 12.424 5.932 -10.863 1.00 0.00 C ATOM 1227 CG2 ILE A 73 10.681 7.718 -11.348 1.00 0.00 C ATOM 1228 CD1 ILE A 73 13.466 6.734 -10.071 1.00 0.00 C ATOM 0 H ILE A 73 10.295 4.376 -11.954 1.00 0.00 H new ATOM 0 HA ILE A 73 10.679 6.675 -13.781 1.00 0.00 H new ATOM 0 HB ILE A 73 12.544 7.355 -12.411 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.670 5.544 -10.178 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.906 5.071 -11.326 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.137 8.319 -10.561 1.00 0.00 H new ATOM 0 HG22 ILE A 73 10.287 8.374 -12.124 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.869 7.125 -10.927 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.921 6.093 -9.316 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.237 7.099 -10.750 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.981 7.580 -9.584 1.00 0.00 H new ATOM 1240 N ASN A 74 12.946 5.612 -14.539 1.00 0.00 N ATOM 1241 CA ASN A 74 13.857 4.894 -15.415 1.00 0.00 C ATOM 1242 C ASN A 74 14.679 3.859 -14.640 1.00 0.00 C ATOM 1243 O ASN A 74 15.414 4.209 -13.712 1.00 0.00 O ATOM 1244 CB ASN A 74 14.765 5.901 -16.130 1.00 0.00 C ATOM 1245 CG ASN A 74 15.925 5.242 -16.872 1.00 0.00 C ATOM 1246 OD1 ASN A 74 15.799 4.160 -17.437 1.00 0.00 O ATOM 1247 ND2 ASN A 74 17.090 5.860 -16.850 1.00 0.00 N ATOM 0 H ASN A 74 13.076 6.624 -14.559 1.00 0.00 H new ATOM 0 HA ASN A 74 13.277 4.345 -16.157 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.170 6.478 -16.838 1.00 0.00 H new ATOM 0 HB3 ASN A 74 15.163 6.605 -15.399 1.00 0.00 H new ATOM 0 HD21 ASN A 74 17.899 5.439 -17.306 1.00 0.00 H new ATOM 0 HD22 ASN A 74 17.182 6.759 -16.377 1.00 0.00 H new ATOM 1254 N GLN A 75 14.594 2.593 -15.060 1.00 0.00 N ATOM 1255 CA GLN A 75 15.313 1.486 -14.436 1.00 0.00 C ATOM 1256 C GLN A 75 16.822 1.746 -14.415 1.00 0.00 C ATOM 1257 O GLN A 75 17.474 1.464 -13.412 1.00 0.00 O ATOM 1258 CB GLN A 75 15.023 0.176 -15.191 1.00 0.00 C ATOM 1259 CG GLN A 75 13.564 -0.302 -15.073 1.00 0.00 C ATOM 1260 CD GLN A 75 13.309 -1.629 -15.805 1.00 0.00 C ATOM 1261 OE1 GLN A 75 14.224 -2.345 -16.203 1.00 0.00 O ATOM 1262 NE2 GLN A 75 12.054 -1.987 -16.022 1.00 0.00 N ATOM 0 H GLN A 75 14.017 2.308 -15.852 1.00 0.00 H new ATOM 0 HA GLN A 75 14.966 1.398 -13.406 1.00 0.00 H new ATOM 0 HB2 GLN A 75 15.266 0.314 -16.245 1.00 0.00 H new ATOM 0 HB3 GLN A 75 15.683 -0.604 -14.811 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.309 -0.419 -14.020 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.902 0.464 -15.478 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.291 -1.396 -15.693 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.850 -2.855 -16.518 1.00 0.00 H new ATOM 1271 N LEU A 76 17.380 2.320 -15.489 1.00 0.00 N ATOM 1272 CA LEU A 76 18.813 2.602 -15.552 1.00 0.00 C ATOM 1273 C LEU A 76 19.186 3.710 -14.575 1.00 0.00 C ATOM 1274 O LEU A 76 20.306 3.681 -14.085 1.00 0.00 O ATOM 1275 CB LEU A 76 19.264 2.954 -16.980 1.00 0.00 C ATOM 1276 CG LEU A 76 19.035 1.844 -18.024 1.00 0.00 C ATOM 1277 CD1 LEU A 76 19.572 2.299 -19.385 1.00 0.00 C ATOM 1278 CD2 LEU A 76 19.711 0.528 -17.628 1.00 0.00 C ATOM 0 H LEU A 76 16.860 2.596 -16.322 1.00 0.00 H new ATOM 0 HA LEU A 76 19.340 1.693 -15.261 1.00 0.00 H new ATOM 0 HB2 LEU A 76 18.735 3.851 -17.302 1.00 0.00 H new ATOM 0 HB3 LEU A 76 20.326 3.201 -16.960 1.00 0.00 H new ATOM 0 HG LEU A 76 17.961 1.664 -18.079 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.409 1.512 -20.122 1.00 0.00 H new ATOM 0 HD12 LEU A 76 19.050 3.203 -19.698 1.00 0.00 H new ATOM 0 HD13 LEU A 76 20.639 2.505 -19.305 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.521 -0.223 -18.394 1.00 0.00 H new ATOM 0 HD22 LEU A 76 20.785 0.685 -17.532 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.308 0.184 -16.675 1.00 0.00 H new ATOM 1290 N SER A 77 18.295 4.648 -14.236 1.00 0.00 N ATOM 1291 CA SER A 77 18.579 5.628 -13.196 1.00 0.00 C ATOM 1292 C SER A 77 18.758 4.922 -11.856 1.00 0.00 C ATOM 1293 O SER A 77 19.783 5.139 -11.207 1.00 0.00 O ATOM 1294 CB SER A 77 17.498 6.710 -13.141 1.00 0.00 C ATOM 1295 OG SER A 77 17.388 7.356 -14.400 1.00 0.00 O ATOM 0 H SER A 77 17.376 4.745 -14.668 1.00 0.00 H new ATOM 0 HA SER A 77 19.512 6.138 -13.435 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.541 6.265 -12.867 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.743 7.440 -12.369 1.00 0.00 H new ATOM 0 HG SER A 77 16.693 8.045 -14.354 1.00 0.00 H new ATOM 1301 N VAL A 78 17.827 4.037 -11.468 1.00 0.00 N ATOM 1302 CA VAL A 78 17.908 3.415 -10.145 1.00 0.00 C ATOM 1303 C VAL A 78 19.201 2.603 -10.022 1.00 0.00 C ATOM 1304 O VAL A 78 19.931 2.750 -9.031 1.00 0.00 O ATOM 1305 CB VAL A 78 16.629 2.647 -9.731 1.00 0.00 C ATOM 1306 CG1 VAL A 78 15.354 3.365 -10.204 1.00 0.00 C ATOM 1307 CG2 VAL A 78 16.537 1.173 -10.143 1.00 0.00 C ATOM 0 H VAL A 78 17.032 3.744 -12.036 1.00 0.00 H new ATOM 0 HA VAL A 78 17.958 4.215 -9.406 1.00 0.00 H new ATOM 0 HB VAL A 78 16.710 2.645 -8.644 1.00 0.00 H new ATOM 0 HG11 VAL A 78 14.479 2.794 -9.894 1.00 0.00 H new ATOM 0 HG12 VAL A 78 15.313 4.361 -9.763 1.00 0.00 H new ATOM 0 HG13 VAL A 78 15.366 3.449 -11.291 1.00 0.00 H new ATOM 0 HG21 VAL A 78 15.594 0.755 -9.791 1.00 0.00 H new ATOM 0 HG22 VAL A 78 16.586 1.095 -11.229 1.00 0.00 H new ATOM 0 HG23 VAL A 78 17.366 0.619 -9.702 1.00 0.00 H new ATOM 1317 N VAL A 79 19.542 1.803 -11.046 1.00 0.00 N ATOM 1318 CA VAL A 79 20.781 1.072 -11.001 1.00 0.00 C ATOM 1319 C VAL A 79 21.971 2.018 -11.122 1.00 0.00 C ATOM 1320 O VAL A 79 22.914 1.789 -10.391 1.00 0.00 O ATOM 1321 CB VAL A 79 20.828 -0.130 -11.961 1.00 0.00 C ATOM 1322 CG1 VAL A 79 19.860 -1.228 -11.503 1.00 0.00 C ATOM 1323 CG2 VAL A 79 20.624 0.176 -13.444 1.00 0.00 C ATOM 0 H VAL A 79 18.982 1.660 -11.886 1.00 0.00 H new ATOM 0 HA VAL A 79 20.848 0.607 -10.017 1.00 0.00 H new ATOM 0 HB VAL A 79 21.860 -0.475 -11.898 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.909 -2.068 -12.196 1.00 0.00 H new ATOM 0 HG12 VAL A 79 20.138 -1.564 -10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.844 -0.833 -11.483 1.00 0.00 H new ATOM 0 HG21 VAL A 79 20.679 -0.749 -14.017 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.647 0.636 -13.590 1.00 0.00 H new ATOM 0 HG23 VAL A 79 21.401 0.860 -13.785 1.00 0.00 H new ATOM 1333 N LYS A 80 21.984 3.092 -11.923 1.00 0.00 N ATOM 1334 CA LYS A 80 23.162 3.973 -12.010 1.00 0.00 C ATOM 1335 C LYS A 80 23.551 4.542 -10.646 1.00 0.00 C ATOM 1336 O LYS A 80 24.746 4.632 -10.357 1.00 0.00 O ATOM 1337 CB LYS A 80 22.951 5.108 -13.026 1.00 0.00 C ATOM 1338 CG LYS A 80 23.290 4.653 -14.454 1.00 0.00 C ATOM 1339 CD LYS A 80 22.915 5.733 -15.477 1.00 0.00 C ATOM 1340 CE LYS A 80 23.291 5.268 -16.892 1.00 0.00 C ATOM 1341 NZ LYS A 80 23.001 6.301 -17.919 1.00 0.00 N ATOM 0 H LYS A 80 21.202 3.372 -12.515 1.00 0.00 H new ATOM 0 HA LYS A 80 23.987 3.353 -12.362 1.00 0.00 H new ATOM 0 HB2 LYS A 80 21.915 5.446 -12.986 1.00 0.00 H new ATOM 0 HB3 LYS A 80 23.575 5.960 -12.756 1.00 0.00 H new ATOM 0 HG2 LYS A 80 24.355 4.432 -14.526 1.00 0.00 H new ATOM 0 HG3 LYS A 80 22.757 3.730 -14.682 1.00 0.00 H new ATOM 0 HD2 LYS A 80 21.846 5.940 -15.425 1.00 0.00 H new ATOM 0 HD3 LYS A 80 23.431 6.664 -15.242 1.00 0.00 H new ATOM 0 HE2 LYS A 80 24.352 5.018 -16.920 1.00 0.00 H new ATOM 0 HE3 LYS A 80 22.742 4.357 -17.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 23.271 5.943 -18.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 21.985 6.522 -17.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 23.544 7.162 -17.708 1.00 0.00 H new ATOM 1355 N TYR A 81 22.576 4.881 -9.798 1.00 0.00 N ATOM 1356 CA TYR A 81 22.860 5.330 -8.439 1.00 0.00 C ATOM 1357 C TYR A 81 23.584 4.205 -7.680 1.00 0.00 C ATOM 1358 O TYR A 81 24.680 4.408 -7.145 1.00 0.00 O ATOM 1359 CB TYR A 81 21.558 5.757 -7.728 1.00 0.00 C ATOM 1360 CG TYR A 81 20.642 6.720 -8.481 1.00 0.00 C ATOM 1361 CD1 TYR A 81 21.170 7.808 -9.208 1.00 0.00 C ATOM 1362 CD2 TYR A 81 19.246 6.523 -8.459 1.00 0.00 C ATOM 1363 CE1 TYR A 81 20.323 8.681 -9.915 1.00 0.00 C ATOM 1364 CE2 TYR A 81 18.394 7.375 -9.184 1.00 0.00 C ATOM 1365 CZ TYR A 81 18.926 8.467 -9.905 1.00 0.00 C ATOM 1366 OH TYR A 81 18.080 9.299 -10.577 1.00 0.00 O ATOM 0 H TYR A 81 21.584 4.852 -10.032 1.00 0.00 H new ATOM 0 HA TYR A 81 23.510 6.204 -8.465 1.00 0.00 H new ATOM 0 HB2 TYR A 81 20.987 4.858 -7.497 1.00 0.00 H new ATOM 0 HB3 TYR A 81 21.826 6.218 -6.777 1.00 0.00 H new ATOM 0 HD1 TYR A 81 22.237 7.973 -9.222 1.00 0.00 H new ATOM 0 HD2 TYR A 81 18.828 5.712 -7.881 1.00 0.00 H new ATOM 0 HE1 TYR A 81 20.739 9.513 -10.464 1.00 0.00 H new ATOM 0 HE2 TYR A 81 17.329 7.194 -9.190 1.00 0.00 H new ATOM 0 HH TYR A 81 18.594 10.022 -10.994 1.00 0.00 H new ATOM 1376 N LEU A 82 22.984 3.008 -7.694 1.00 0.00 N ATOM 1377 CA LEU A 82 23.524 1.827 -7.023 1.00 0.00 C ATOM 1378 C LEU A 82 24.922 1.459 -7.551 1.00 0.00 C ATOM 1379 O LEU A 82 25.828 1.220 -6.752 1.00 0.00 O ATOM 1380 CB LEU A 82 22.514 0.681 -7.197 1.00 0.00 C ATOM 1381 CG LEU A 82 22.938 -0.665 -6.591 1.00 0.00 C ATOM 1382 CD1 LEU A 82 23.138 -0.591 -5.074 1.00 0.00 C ATOM 1383 CD2 LEU A 82 21.866 -1.705 -6.929 1.00 0.00 C ATOM 0 H LEU A 82 22.102 2.834 -8.177 1.00 0.00 H new ATOM 0 HA LEU A 82 23.661 2.032 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 82 21.568 0.981 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 82 22.330 0.539 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 82 23.901 -0.945 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 82 23.437 -1.570 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 82 23.915 0.139 -4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 82 22.205 -0.289 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 82 22.149 -2.669 -6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 82 20.910 -1.392 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 82 21.775 -1.795 -8.011 1.00 0.00 H new ATOM 1395 N LEU A 83 25.106 1.450 -8.878 1.00 0.00 N ATOM 1396 CA LEU A 83 26.364 1.192 -9.571 1.00 0.00 C ATOM 1397 C LEU A 83 27.447 2.053 -8.942 1.00 0.00 C ATOM 1398 O LEU A 83 28.444 1.503 -8.487 1.00 0.00 O ATOM 1399 CB LEU A 83 26.285 1.522 -11.086 1.00 0.00 C ATOM 1400 CG LEU A 83 25.974 0.377 -12.074 1.00 0.00 C ATOM 1401 CD1 LEU A 83 24.506 -0.065 -12.114 1.00 0.00 C ATOM 1402 CD2 LEU A 83 26.321 0.830 -13.499 1.00 0.00 C ATOM 0 H LEU A 83 24.339 1.632 -9.525 1.00 0.00 H new ATOM 0 HA LEU A 83 26.587 0.129 -9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 83 25.523 2.290 -11.219 1.00 0.00 H new ATOM 0 HB3 LEU A 83 27.238 1.963 -11.379 1.00 0.00 H new ATOM 0 HG LEU A 83 26.570 -0.465 -11.720 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.389 -0.873 -12.837 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.204 -0.415 -11.127 1.00 0.00 H new ATOM 0 HD13 LEU A 83 23.880 0.778 -12.407 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.103 0.024 -14.200 1.00 0.00 H new ATOM 0 HD22 LEU A 83 25.727 1.706 -13.757 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.380 1.081 -13.553 1.00 0.00 H new ATOM 1414 N ALA A 84 27.260 3.378 -8.894 1.00 0.00 N ATOM 1415 CA ALA A 84 28.302 4.280 -8.420 1.00 0.00 C ATOM 1416 C ALA A 84 28.727 3.938 -6.999 1.00 0.00 C ATOM 1417 O ALA A 84 29.930 3.851 -6.736 1.00 0.00 O ATOM 1418 CB ALA A 84 27.844 5.737 -8.501 1.00 0.00 C ATOM 0 H ALA A 84 26.397 3.842 -9.178 1.00 0.00 H new ATOM 0 HA ALA A 84 29.166 4.152 -9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 84 28.640 6.389 -8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 84 27.609 5.988 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 84 26.956 5.874 -7.884 1.00 0.00 H new ATOM 1424 N SER A 85 27.763 3.714 -6.101 1.00 0.00 N ATOM 1425 CA SER A 85 28.075 3.311 -4.732 1.00 0.00 C ATOM 1426 C SER A 85 28.952 2.049 -4.712 1.00 0.00 C ATOM 1427 O SER A 85 29.956 1.994 -3.998 1.00 0.00 O ATOM 1428 CB SER A 85 26.781 3.077 -3.942 1.00 0.00 C ATOM 1429 OG SER A 85 25.874 4.146 -4.115 1.00 0.00 O ATOM 0 H SER A 85 26.766 3.805 -6.298 1.00 0.00 H new ATOM 0 HA SER A 85 28.637 4.117 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 85 26.316 2.147 -4.268 1.00 0.00 H new ATOM 0 HB3 SER A 85 27.014 2.963 -2.883 1.00 0.00 H new ATOM 0 HG SER A 85 26.343 4.997 -3.985 1.00 0.00 H new ATOM 1435 N LEU A 86 28.604 1.043 -5.515 1.00 0.00 N ATOM 1436 CA LEU A 86 29.296 -0.242 -5.554 1.00 0.00 C ATOM 1437 C LEU A 86 30.673 -0.129 -6.205 1.00 0.00 C ATOM 1438 O LEU A 86 31.612 -0.763 -5.718 1.00 0.00 O ATOM 1439 CB LEU A 86 28.440 -1.260 -6.323 1.00 0.00 C ATOM 1440 CG LEU A 86 27.408 -2.029 -5.472 1.00 0.00 C ATOM 1441 CD1 LEU A 86 26.693 -1.218 -4.383 1.00 0.00 C ATOM 1442 CD2 LEU A 86 26.365 -2.607 -6.431 1.00 0.00 C ATOM 0 H LEU A 86 27.821 1.101 -6.166 1.00 0.00 H new ATOM 0 HA LEU A 86 29.444 -0.575 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 86 27.912 -0.737 -7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 86 29.103 -1.982 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 86 27.967 -2.788 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 86 25.993 -1.862 -3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 86 27.428 -0.823 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 86 26.150 -0.392 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 86 25.616 -3.160 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 86 25.882 -1.796 -6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 86 26.853 -3.278 -7.138 1.00 0.00 H new ATOM 1454 N LYS A 87 30.826 0.665 -7.275 1.00 0.00 N ATOM 1455 CA LYS A 87 32.127 0.810 -7.924 1.00 0.00 C ATOM 1456 C LYS A 87 33.083 1.469 -6.939 1.00 0.00 C ATOM 1457 O LYS A 87 34.203 0.995 -6.768 1.00 0.00 O ATOM 1458 CB LYS A 87 32.096 1.604 -9.247 1.00 0.00 C ATOM 1459 CG LYS A 87 31.063 1.252 -10.339 1.00 0.00 C ATOM 1460 CD LYS A 87 30.641 -0.215 -10.536 1.00 0.00 C ATOM 1461 CE LYS A 87 31.767 -1.105 -11.084 1.00 0.00 C ATOM 1462 NZ LYS A 87 31.242 -2.373 -11.655 1.00 0.00 N ATOM 0 H LYS A 87 30.074 1.207 -7.701 1.00 0.00 H new ATOM 0 HA LYS A 87 32.460 -0.190 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 87 31.951 2.654 -8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 87 33.085 1.520 -9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 87 30.160 1.827 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 87 31.458 1.609 -11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 87 30.300 -0.619 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 87 29.793 -0.253 -11.219 1.00 0.00 H new ATOM 0 HE2 LYS A 87 32.318 -0.562 -11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 87 32.473 -1.331 -10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 32.026 -3.042 -11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 30.547 -2.787 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 30.785 -2.179 -12.569 1.00 0.00 H new ATOM 1476 N ASP A 88 32.642 2.521 -6.246 1.00 0.00 N ATOM 1477 CA ASP A 88 33.487 3.232 -5.288 1.00 0.00 C ATOM 1478 C ASP A 88 33.800 2.387 -4.052 1.00 0.00 C ATOM 1479 O ASP A 88 34.880 2.519 -3.476 1.00 0.00 O ATOM 1480 CB ASP A 88 32.818 4.540 -4.865 1.00 0.00 C ATOM 1481 CG ASP A 88 33.724 5.336 -3.911 1.00 0.00 C ATOM 1482 OD1 ASP A 88 34.724 5.926 -4.378 1.00 0.00 O ATOM 1483 OD2 ASP A 88 33.425 5.401 -2.699 1.00 0.00 O ATOM 0 H ASP A 88 31.699 2.900 -6.332 1.00 0.00 H new ATOM 0 HA ASP A 88 34.432 3.445 -5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 88 32.595 5.141 -5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 88 31.868 4.326 -4.376 1.00 0.00 H new ATOM 1488 N SER A 89 32.893 1.482 -3.671 1.00 0.00 N ATOM 1489 CA SER A 89 33.129 0.525 -2.592 1.00 0.00 C ATOM 1490 C SER A 89 34.277 -0.450 -2.906 1.00 0.00 C ATOM 1491 O SER A 89 34.853 -1.012 -1.973 1.00 0.00 O ATOM 1492 CB SER A 89 31.846 -0.261 -2.302 1.00 0.00 C ATOM 1493 OG SER A 89 30.797 0.596 -1.882 1.00 0.00 O ATOM 0 H SER A 89 31.974 1.394 -4.104 1.00 0.00 H new ATOM 0 HA SER A 89 33.424 1.099 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 89 31.539 -0.802 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 89 32.040 -1.006 -1.530 1.00 0.00 H new ATOM 0 HG SER A 89 30.639 1.279 -2.567 1.00 0.00 H new ATOM 1499 N LYS A 90 34.621 -0.648 -4.190 1.00 0.00 N ATOM 1500 CA LYS A 90 35.620 -1.619 -4.658 1.00 0.00 C ATOM 1501 C LYS A 90 35.402 -3.008 -4.040 1.00 0.00 C ATOM 1502 O LYS A 90 36.362 -3.714 -3.724 1.00 0.00 O ATOM 1503 CB LYS A 90 37.052 -1.070 -4.456 1.00 0.00 C ATOM 1504 CG LYS A 90 37.345 0.260 -5.170 1.00 0.00 C ATOM 1505 CD LYS A 90 37.333 0.133 -6.700 1.00 0.00 C ATOM 1506 CE LYS A 90 37.538 1.514 -7.335 1.00 0.00 C ATOM 1507 NZ LYS A 90 37.546 1.456 -8.818 1.00 0.00 N ATOM 0 H LYS A 90 34.197 -0.120 -4.953 1.00 0.00 H new ATOM 0 HA LYS A 90 35.489 -1.759 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 90 37.227 -0.938 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 90 37.764 -1.817 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 90 36.605 1.000 -4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 90 38.318 0.632 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 90 38.120 -0.547 -7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 90 36.386 -0.294 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 90 36.745 2.185 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 90 38.480 1.936 -6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 37.687 2.412 -9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 38.318 0.837 -9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 36.638 1.078 -9.156 1.00 0.00 H new ATOM 1521 N ASP A 91 34.137 -3.395 -3.849 1.00 0.00 N ATOM 1522 CA ASP A 91 33.782 -4.759 -3.448 1.00 0.00 C ATOM 1523 C ASP A 91 33.957 -5.700 -4.655 1.00 0.00 C ATOM 1524 O ASP A 91 34.400 -5.268 -5.724 1.00 0.00 O ATOM 1525 CB ASP A 91 32.364 -4.785 -2.849 1.00 0.00 C ATOM 1526 CG ASP A 91 32.164 -6.001 -1.933 1.00 0.00 C ATOM 1527 OD1 ASP A 91 31.840 -7.092 -2.454 1.00 0.00 O ATOM 1528 OD2 ASP A 91 32.357 -5.868 -0.703 1.00 0.00 O ATOM 0 H ASP A 91 33.335 -2.776 -3.967 1.00 0.00 H new ATOM 0 HA ASP A 91 34.447 -5.116 -2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 91 32.189 -3.869 -2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 91 31.628 -4.808 -3.653 1.00 0.00 H new ATOM 1533 N PHE A 92 33.640 -6.986 -4.516 1.00 0.00 N ATOM 1534 CA PHE A 92 33.811 -8.005 -5.550 1.00 0.00 C ATOM 1535 C PHE A 92 32.704 -9.069 -5.524 1.00 0.00 C ATOM 1536 O PHE A 92 32.696 -9.949 -6.386 1.00 0.00 O ATOM 1537 CB PHE A 92 35.196 -8.657 -5.388 1.00 0.00 C ATOM 1538 CG PHE A 92 35.405 -9.383 -4.067 1.00 0.00 C ATOM 1539 CD1 PHE A 92 35.066 -10.746 -3.946 1.00 0.00 C ATOM 1540 CD2 PHE A 92 35.928 -8.695 -2.955 1.00 0.00 C ATOM 1541 CE1 PHE A 92 35.238 -11.411 -2.719 1.00 0.00 C ATOM 1542 CE2 PHE A 92 36.101 -9.362 -1.728 1.00 0.00 C ATOM 1543 CZ PHE A 92 35.754 -10.719 -1.609 1.00 0.00 C ATOM 0 H PHE A 92 33.244 -7.359 -3.653 1.00 0.00 H new ATOM 0 HA PHE A 92 33.739 -7.514 -6.521 1.00 0.00 H new ATOM 0 HB2 PHE A 92 35.348 -9.364 -6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 92 35.960 -7.886 -5.488 1.00 0.00 H new ATOM 0 HD1 PHE A 92 34.673 -11.281 -4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 92 36.197 -7.653 -3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 92 34.974 -12.454 -2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 92 36.501 -8.831 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 92 35.884 -11.229 -0.666 1.00 0.00 H new ATOM 1553 N ASP A 93 31.776 -9.013 -4.565 1.00 0.00 N ATOM 1554 CA ASP A 93 30.785 -10.062 -4.327 1.00 0.00 C ATOM 1555 C ASP A 93 29.448 -9.450 -3.925 1.00 0.00 C ATOM 1556 O ASP A 93 28.414 -9.812 -4.487 1.00 0.00 O ATOM 1557 CB ASP A 93 31.291 -10.993 -3.219 1.00 0.00 C ATOM 1558 CG ASP A 93 30.191 -11.951 -2.741 1.00 0.00 C ATOM 1559 OD1 ASP A 93 29.866 -12.916 -3.467 1.00 0.00 O ATOM 1560 OD2 ASP A 93 29.680 -11.756 -1.616 1.00 0.00 O ATOM 0 H ASP A 93 31.692 -8.225 -3.923 1.00 0.00 H new ATOM 0 HA ASP A 93 30.640 -10.632 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 93 32.141 -11.568 -3.586 1.00 0.00 H new ATOM 0 HB3 ASP A 93 31.648 -10.399 -2.378 1.00 0.00 H new ATOM 1565 N GLU A 94 29.459 -8.456 -3.033 1.00 0.00 N ATOM 1566 CA GLU A 94 28.255 -7.740 -2.637 1.00 0.00 C ATOM 1567 C GLU A 94 27.666 -7.023 -3.854 1.00 0.00 C ATOM 1568 O GLU A 94 26.457 -7.071 -4.070 1.00 0.00 O ATOM 1569 CB GLU A 94 28.594 -6.753 -1.505 1.00 0.00 C ATOM 1570 CG GLU A 94 27.357 -6.297 -0.721 1.00 0.00 C ATOM 1571 CD GLU A 94 26.812 -7.394 0.213 1.00 0.00 C ATOM 1572 OE1 GLU A 94 27.268 -7.485 1.376 1.00 0.00 O ATOM 1573 OE2 GLU A 94 25.909 -8.156 -0.194 1.00 0.00 O ATOM 0 H GLU A 94 30.306 -8.129 -2.568 1.00 0.00 H new ATOM 0 HA GLU A 94 27.507 -8.438 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 94 29.300 -7.222 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 94 29.092 -5.880 -1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 94 27.609 -5.415 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 94 26.576 -6.000 -1.421 1.00 0.00 H new ATOM 1580 N SER A 95 28.518 -6.435 -4.701 1.00 0.00 N ATOM 1581 CA SER A 95 28.102 -5.794 -5.943 1.00 0.00 C ATOM 1582 C SER A 95 27.348 -6.756 -6.859 1.00 0.00 C ATOM 1583 O SER A 95 26.386 -6.364 -7.523 1.00 0.00 O ATOM 1584 CB SER A 95 29.331 -5.225 -6.659 1.00 0.00 C ATOM 1585 OG SER A 95 30.115 -4.463 -5.756 1.00 0.00 O ATOM 0 H SER A 95 29.524 -6.393 -4.538 1.00 0.00 H new ATOM 0 HA SER A 95 27.414 -4.986 -5.694 1.00 0.00 H new ATOM 0 HB2 SER A 95 29.928 -6.037 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 95 29.017 -4.601 -7.496 1.00 0.00 H new ATOM 0 HG SER A 95 30.898 -4.106 -6.224 1.00 0.00 H new ATOM 1591 N LEU A 96 27.769 -8.022 -6.879 1.00 0.00 N ATOM 1592 CA LEU A 96 27.179 -9.011 -7.762 1.00 0.00 C ATOM 1593 C LEU A 96 25.844 -9.478 -7.205 1.00 0.00 C ATOM 1594 O LEU A 96 24.874 -9.561 -7.957 1.00 0.00 O ATOM 1595 CB LEU A 96 28.151 -10.174 -8.009 1.00 0.00 C ATOM 1596 CG LEU A 96 29.475 -9.731 -8.662 1.00 0.00 C ATOM 1597 CD1 LEU A 96 30.337 -10.957 -8.958 1.00 0.00 C ATOM 1598 CD2 LEU A 96 29.241 -8.931 -9.951 1.00 0.00 C ATOM 0 H LEU A 96 28.520 -8.381 -6.289 1.00 0.00 H new ATOM 0 HA LEU A 96 26.987 -8.554 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 96 28.368 -10.665 -7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 96 27.668 -10.913 -8.648 1.00 0.00 H new ATOM 0 HG LEU A 96 29.990 -9.076 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 96 31.273 -10.641 -9.420 1.00 0.00 H new ATOM 0 HD12 LEU A 96 30.551 -11.484 -8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 96 29.803 -11.622 -9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 96 30.201 -8.639 -10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 96 28.698 -9.547 -10.668 1.00 0.00 H new ATOM 0 HD23 LEU A 96 28.658 -8.038 -9.724 1.00 0.00 H new ATOM 1610 N LYS A 97 25.761 -9.693 -5.888 1.00 0.00 N ATOM 1611 CA LYS A 97 24.495 -9.976 -5.217 1.00 0.00 C ATOM 1612 C LYS A 97 23.503 -8.847 -5.481 1.00 0.00 C ATOM 1613 O LYS A 97 22.371 -9.121 -5.872 1.00 0.00 O ATOM 1614 CB LYS A 97 24.733 -10.151 -3.710 1.00 0.00 C ATOM 1615 CG LYS A 97 25.436 -11.478 -3.392 1.00 0.00 C ATOM 1616 CD LYS A 97 26.025 -11.448 -1.979 1.00 0.00 C ATOM 1617 CE LYS A 97 26.534 -12.847 -1.610 1.00 0.00 C ATOM 1618 NZ LYS A 97 27.432 -12.822 -0.434 1.00 0.00 N ATOM 0 H LYS A 97 26.567 -9.675 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 97 24.075 -10.902 -5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 97 25.336 -9.322 -3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.779 -10.111 -3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 97 24.728 -12.302 -3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 97 26.228 -11.660 -4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.841 -10.727 -1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.268 -11.124 -1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.685 -13.498 -1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 97 27.064 -13.275 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.657 -13.796 -0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 28.310 -12.321 -0.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 26.961 -12.331 0.352 1.00 0.00 H new ATOM 1632 N TYR A 98 23.932 -7.593 -5.309 1.00 0.00 N ATOM 1633 CA TYR A 98 23.086 -6.426 -5.498 1.00 0.00 C ATOM 1634 C TYR A 98 22.495 -6.381 -6.903 1.00 0.00 C ATOM 1635 O TYR A 98 21.274 -6.251 -7.030 1.00 0.00 O ATOM 1636 CB TYR A 98 23.875 -5.136 -5.226 1.00 0.00 C ATOM 1637 CG TYR A 98 23.731 -4.549 -3.833 1.00 0.00 C ATOM 1638 CD1 TYR A 98 22.480 -4.067 -3.401 1.00 0.00 C ATOM 1639 CD2 TYR A 98 24.855 -4.411 -2.997 1.00 0.00 C ATOM 1640 CE1 TYR A 98 22.352 -3.453 -2.141 1.00 0.00 C ATOM 1641 CE2 TYR A 98 24.739 -3.790 -1.741 1.00 0.00 C ATOM 1642 CZ TYR A 98 23.482 -3.307 -1.306 1.00 0.00 C ATOM 1643 OH TYR A 98 23.348 -2.703 -0.091 1.00 0.00 O ATOM 0 H TYR A 98 24.887 -7.365 -5.032 1.00 0.00 H new ATOM 0 HA TYR A 98 22.265 -6.503 -4.785 1.00 0.00 H new ATOM 0 HB2 TYR A 98 24.931 -5.335 -5.408 1.00 0.00 H new ATOM 0 HB3 TYR A 98 23.563 -4.383 -5.950 1.00 0.00 H new ATOM 0 HD1 TYR A 98 21.615 -4.169 -4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 98 25.814 -4.785 -3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 98 21.388 -3.093 -1.812 1.00 0.00 H new ATOM 0 HE2 TYR A 98 25.608 -3.682 -1.109 1.00 0.00 H new ATOM 0 HH TYR A 98 24.217 -2.682 0.361 1.00 0.00 H new ATOM 1653 N LEU A 99 23.315 -6.464 -7.959 1.00 0.00 N ATOM 1654 CA LEU A 99 22.803 -6.196 -9.293 1.00 0.00 C ATOM 1655 C LEU A 99 22.056 -7.414 -9.819 1.00 0.00 C ATOM 1656 O LEU A 99 21.055 -7.234 -10.505 1.00 0.00 O ATOM 1657 CB LEU A 99 23.934 -5.716 -10.217 1.00 0.00 C ATOM 1658 CG LEU A 99 23.976 -4.191 -10.415 1.00 0.00 C ATOM 1659 CD1 LEU A 99 24.114 -3.438 -9.090 1.00 0.00 C ATOM 1660 CD2 LEU A 99 25.162 -3.847 -11.324 1.00 0.00 C ATOM 0 H LEU A 99 24.304 -6.707 -7.912 1.00 0.00 H new ATOM 0 HA LEU A 99 22.079 -5.382 -9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 99 24.889 -6.045 -9.807 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.823 -6.195 -11.190 1.00 0.00 H new ATOM 0 HG LEU A 99 23.034 -3.881 -10.868 1.00 0.00 H new ATOM 0 HD11 LEU A 99 24.139 -2.365 -9.282 1.00 0.00 H new ATOM 0 HD12 LEU A 99 23.264 -3.672 -8.448 1.00 0.00 H new ATOM 0 HD13 LEU A 99 25.037 -3.740 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 99 25.205 -2.768 -11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 99 26.088 -4.186 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 99 25.038 -4.342 -12.287 1.00 0.00 H new ATOM 1672 N ASP A 100 22.467 -8.633 -9.454 1.00 0.00 N ATOM 1673 CA ASP A 100 21.724 -9.837 -9.813 1.00 0.00 C ATOM 1674 C ASP A 100 20.334 -9.827 -9.174 1.00 0.00 C ATOM 1675 O ASP A 100 19.348 -10.097 -9.857 1.00 0.00 O ATOM 1676 CB ASP A 100 22.478 -11.098 -9.383 1.00 0.00 C ATOM 1677 CG ASP A 100 21.660 -12.356 -9.717 1.00 0.00 C ATOM 1678 OD1 ASP A 100 21.572 -12.723 -10.910 1.00 0.00 O ATOM 1679 OD2 ASP A 100 21.137 -13.009 -8.787 1.00 0.00 O ATOM 0 H ASP A 100 23.312 -8.808 -8.910 1.00 0.00 H new ATOM 0 HA ASP A 100 21.617 -9.846 -10.898 1.00 0.00 H new ATOM 0 HB2 ASP A 100 23.444 -11.141 -9.887 1.00 0.00 H new ATOM 0 HB3 ASP A 100 22.679 -11.061 -8.312 1.00 0.00 H new ATOM 1684 N ASP A 101 20.235 -9.478 -7.886 1.00 0.00 N ATOM 1685 CA ASP A 101 18.958 -9.471 -7.173 1.00 0.00 C ATOM 1686 C ASP A 101 18.029 -8.387 -7.713 1.00 0.00 C ATOM 1687 O ASP A 101 16.860 -8.663 -7.989 1.00 0.00 O ATOM 1688 CB ASP A 101 19.172 -9.260 -5.672 1.00 0.00 C ATOM 1689 CG ASP A 101 17.822 -9.203 -4.936 1.00 0.00 C ATOM 1690 OD1 ASP A 101 17.201 -10.269 -4.727 1.00 0.00 O ATOM 1691 OD2 ASP A 101 17.396 -8.100 -4.529 1.00 0.00 O ATOM 0 H ASP A 101 21.032 -9.195 -7.315 1.00 0.00 H new ATOM 0 HA ASP A 101 18.492 -10.443 -7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 101 19.779 -10.070 -5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 101 19.723 -8.335 -5.504 1.00 0.00 H new ATOM 1696 N LEU A 102 18.543 -7.167 -7.913 1.00 0.00 N ATOM 1697 CA LEU A 102 17.737 -6.071 -8.442 1.00 0.00 C ATOM 1698 C LEU A 102 17.269 -6.413 -9.856 1.00 0.00 C ATOM 1699 O LEU A 102 16.080 -6.277 -10.158 1.00 0.00 O ATOM 1700 CB LEU A 102 18.527 -4.752 -8.378 1.00 0.00 C ATOM 1701 CG LEU A 102 17.741 -3.466 -8.725 1.00 0.00 C ATOM 1702 CD1 LEU A 102 17.527 -3.270 -10.228 1.00 0.00 C ATOM 1703 CD2 LEU A 102 16.384 -3.351 -8.017 1.00 0.00 C ATOM 0 H LEU A 102 19.512 -6.919 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 102 16.846 -5.933 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 102 18.933 -4.644 -7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 102 19.376 -4.828 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 102 18.391 -2.674 -8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.969 -2.349 -10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 102 18.494 -3.207 -10.728 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.966 -4.114 -10.629 1.00 0.00 H new ATOM 0 HD21 LEU A 102 15.896 -2.422 -8.314 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.755 -4.196 -8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.535 -3.353 -6.938 1.00 0.00 H new ATOM 1715 N LYS A 103 18.169 -6.935 -10.705 1.00 0.00 N ATOM 1716 CA LYS A 103 17.789 -7.397 -12.033 1.00 0.00 C ATOM 1717 C LYS A 103 16.674 -8.429 -11.913 1.00 0.00 C ATOM 1718 O LYS A 103 15.705 -8.329 -12.656 1.00 0.00 O ATOM 1719 CB LYS A 103 18.991 -7.989 -12.792 1.00 0.00 C ATOM 1720 CG LYS A 103 18.568 -8.842 -14.006 1.00 0.00 C ATOM 1721 CD LYS A 103 19.672 -8.913 -15.063 1.00 0.00 C ATOM 1722 CE LYS A 103 19.270 -9.736 -16.300 1.00 0.00 C ATOM 1723 NZ LYS A 103 19.196 -11.196 -16.036 1.00 0.00 N ATOM 0 H LYS A 103 19.160 -7.044 -10.488 1.00 0.00 H new ATOM 0 HA LYS A 103 17.433 -6.541 -12.605 1.00 0.00 H new ATOM 0 HB2 LYS A 103 19.637 -7.179 -13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 103 19.580 -8.602 -12.110 1.00 0.00 H new ATOM 0 HG2 LYS A 103 18.318 -9.849 -13.673 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.666 -8.420 -14.450 1.00 0.00 H new ATOM 0 HD2 LYS A 103 19.933 -7.902 -15.376 1.00 0.00 H new ATOM 0 HD3 LYS A 103 20.566 -9.350 -14.618 1.00 0.00 H new ATOM 0 HE2 LYS A 103 18.301 -9.389 -16.659 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.990 -9.554 -17.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 19.493 -11.718 -16.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 19.824 -11.438 -15.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 18.218 -11.456 -15.795 1.00 0.00 H new ATOM 1737 N ALA A 104 16.800 -9.407 -11.013 1.00 0.00 N ATOM 1738 CA ALA A 104 15.838 -10.492 -10.906 1.00 0.00 C ATOM 1739 C ALA A 104 14.445 -9.967 -10.556 1.00 0.00 C ATOM 1740 O ALA A 104 13.469 -10.449 -11.122 1.00 0.00 O ATOM 1741 CB ALA A 104 16.301 -11.543 -9.894 1.00 0.00 C ATOM 0 H ALA A 104 17.568 -9.464 -10.345 1.00 0.00 H new ATOM 0 HA ALA A 104 15.774 -10.974 -11.882 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.562 -12.342 -9.835 1.00 0.00 H new ATOM 0 HB2 ALA A 104 17.258 -11.957 -10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 104 16.413 -11.080 -8.914 1.00 0.00 H new ATOM 1747 N GLN A 105 14.328 -8.963 -9.678 1.00 0.00 N ATOM 1748 CA GLN A 105 13.030 -8.362 -9.375 1.00 0.00 C ATOM 1749 C GLN A 105 12.398 -7.795 -10.652 1.00 0.00 C ATOM 1750 O GLN A 105 11.218 -8.028 -10.916 1.00 0.00 O ATOM 1751 CB GLN A 105 13.167 -7.268 -8.301 1.00 0.00 C ATOM 1752 CG GLN A 105 13.555 -7.804 -6.913 1.00 0.00 C ATOM 1753 CD GLN A 105 12.471 -8.696 -6.305 1.00 0.00 C ATOM 1754 OE1 GLN A 105 12.544 -9.921 -6.355 1.00 0.00 O ATOM 1755 NE2 GLN A 105 11.432 -8.111 -5.728 1.00 0.00 N ATOM 0 H GLN A 105 15.112 -8.554 -9.170 1.00 0.00 H new ATOM 0 HA GLN A 105 12.375 -9.138 -8.978 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.918 -6.547 -8.624 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.222 -6.730 -8.221 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.484 -8.369 -6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.748 -6.965 -6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 105 11.376 -7.093 -5.689 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.688 -8.678 -5.322 1.00 0.00 H new ATOM 1764 N PHE A 106 13.177 -7.092 -11.475 1.00 0.00 N ATOM 1765 CA PHE A 106 12.681 -6.518 -12.725 1.00 0.00 C ATOM 1766 C PHE A 106 12.368 -7.625 -13.736 1.00 0.00 C ATOM 1767 O PHE A 106 11.339 -7.570 -14.402 1.00 0.00 O ATOM 1768 CB PHE A 106 13.683 -5.481 -13.249 1.00 0.00 C ATOM 1769 CG PHE A 106 13.856 -4.201 -12.434 1.00 0.00 C ATOM 1770 CD1 PHE A 106 13.154 -3.965 -11.228 1.00 0.00 C ATOM 1771 CD2 PHE A 106 14.758 -3.221 -12.896 1.00 0.00 C ATOM 1772 CE1 PHE A 106 13.364 -2.785 -10.500 1.00 0.00 C ATOM 1773 CE2 PHE A 106 14.956 -2.030 -12.173 1.00 0.00 C ATOM 1774 CZ PHE A 106 14.254 -1.812 -10.975 1.00 0.00 C ATOM 0 H PHE A 106 14.164 -6.906 -11.295 1.00 0.00 H new ATOM 0 HA PHE A 106 11.741 -5.994 -12.550 1.00 0.00 H new ATOM 0 HB2 PHE A 106 14.657 -5.964 -13.330 1.00 0.00 H new ATOM 0 HB3 PHE A 106 13.381 -5.200 -14.258 1.00 0.00 H new ATOM 0 HD1 PHE A 106 12.451 -4.700 -10.865 1.00 0.00 H new ATOM 0 HD2 PHE A 106 15.303 -3.386 -13.814 1.00 0.00 H new ATOM 0 HE1 PHE A 106 12.838 -2.625 -9.570 1.00 0.00 H new ATOM 0 HE2 PHE A 106 15.647 -1.284 -12.538 1.00 0.00 H new ATOM 0 HZ PHE A 106 14.400 -0.896 -10.421 1.00 0.00 H new ATOM 1784 N GLN A 107 13.203 -8.661 -13.796 1.00 0.00 N ATOM 1785 CA GLN A 107 12.999 -9.830 -14.642 1.00 0.00 C ATOM 1786 C GLN A 107 11.675 -10.539 -14.314 1.00 0.00 C ATOM 1787 O GLN A 107 11.018 -11.056 -15.216 1.00 0.00 O ATOM 1788 CB GLN A 107 14.212 -10.764 -14.478 1.00 0.00 C ATOM 1789 CG GLN A 107 14.344 -11.779 -15.619 1.00 0.00 C ATOM 1790 CD GLN A 107 15.629 -12.603 -15.509 1.00 0.00 C ATOM 1791 OE1 GLN A 107 16.695 -12.096 -15.162 1.00 0.00 O ATOM 1792 NE2 GLN A 107 15.572 -13.889 -15.807 1.00 0.00 N ATOM 0 H GLN A 107 14.059 -8.710 -13.244 1.00 0.00 H new ATOM 0 HA GLN A 107 12.922 -9.522 -15.685 1.00 0.00 H new ATOM 0 HB2 GLN A 107 15.121 -10.165 -14.425 1.00 0.00 H new ATOM 0 HB3 GLN A 107 14.127 -11.298 -13.532 1.00 0.00 H new ATOM 0 HG2 GLN A 107 13.483 -12.447 -15.611 1.00 0.00 H new ATOM 0 HG3 GLN A 107 14.331 -11.254 -16.574 1.00 0.00 H new ATOM 0 HE21 GLN A 107 14.687 -14.307 -16.094 1.00 0.00 H new ATOM 0 HE22 GLN A 107 16.413 -14.464 -15.750 1.00 0.00 H new ATOM 1801 N GLU A 108 11.260 -10.544 -13.044 1.00 0.00 N ATOM 1802 CA GLU A 108 10.008 -11.154 -12.607 1.00 0.00 C ATOM 1803 C GLU A 108 8.821 -10.223 -12.876 1.00 0.00 C ATOM 1804 O GLU A 108 7.729 -10.703 -13.184 1.00 0.00 O ATOM 1805 CB GLU A 108 10.089 -11.487 -11.107 1.00 0.00 C ATOM 1806 CG GLU A 108 11.019 -12.670 -10.796 1.00 0.00 C ATOM 1807 CD GLU A 108 10.434 -14.016 -11.261 1.00 0.00 C ATOM 1808 OE1 GLU A 108 9.596 -14.602 -10.537 1.00 0.00 O ATOM 1809 OE2 GLU A 108 10.816 -14.516 -12.343 1.00 0.00 O ATOM 0 H GLU A 108 11.792 -10.119 -12.285 1.00 0.00 H new ATOM 0 HA GLU A 108 9.854 -12.072 -13.174 1.00 0.00 H new ATOM 0 HB2 GLU A 108 10.437 -10.608 -10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.089 -11.713 -10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.982 -12.509 -11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.205 -12.710 -9.723 1.00 0.00 H new ATOM 1816 N LEU A 109 9.018 -8.903 -12.773 1.00 0.00 N ATOM 1817 CA LEU A 109 7.996 -7.905 -13.091 1.00 0.00 C ATOM 1818 C LEU A 109 7.769 -7.807 -14.601 1.00 0.00 C ATOM 1819 O LEU A 109 6.676 -7.438 -15.026 1.00 0.00 O ATOM 1820 CB LEU A 109 8.404 -6.526 -12.541 1.00 0.00 C ATOM 1821 CG LEU A 109 8.274 -6.390 -11.009 1.00 0.00 C ATOM 1822 CD1 LEU A 109 8.990 -5.120 -10.533 1.00 0.00 C ATOM 1823 CD2 LEU A 109 6.806 -6.338 -10.562 1.00 0.00 C ATOM 0 H LEU A 109 9.901 -8.496 -12.463 1.00 0.00 H new ATOM 0 HA LEU A 109 7.065 -8.222 -12.620 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.437 -6.325 -12.826 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.788 -5.762 -13.016 1.00 0.00 H new ATOM 0 HG LEU A 109 8.735 -7.271 -10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.893 -5.032 -9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.045 -5.176 -10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.541 -4.249 -11.010 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.759 -6.242 -9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.315 -5.481 -11.024 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.300 -7.254 -10.867 1.00 0.00 H new ATOM 1835 N ASP A 110 8.764 -8.143 -15.423 1.00 0.00 N ATOM 1836 CA ASP A 110 8.717 -7.951 -16.873 1.00 0.00 C ATOM 1837 C ASP A 110 7.511 -8.641 -17.512 1.00 0.00 C ATOM 1838 O ASP A 110 6.885 -8.087 -18.415 1.00 0.00 O ATOM 1839 CB ASP A 110 10.009 -8.458 -17.520 1.00 0.00 C ATOM 1840 CG ASP A 110 9.962 -8.283 -19.048 1.00 0.00 C ATOM 1841 OD1 ASP A 110 10.100 -7.136 -19.528 1.00 0.00 O ATOM 1842 OD2 ASP A 110 9.831 -9.298 -19.768 1.00 0.00 O ATOM 0 H ASP A 110 9.635 -8.561 -15.097 1.00 0.00 H new ATOM 0 HA ASP A 110 8.615 -6.880 -17.049 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.862 -7.914 -17.114 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.155 -9.510 -17.275 1.00 0.00 H new ATOM 2059 N GLY A 125 16.570 -2.829 -20.413 1.00 0.00 N ATOM 2060 CA GLY A 125 16.868 -2.172 -19.143 1.00 0.00 C ATOM 2061 C GLY A 125 17.644 -3.070 -18.176 1.00 0.00 C ATOM 2062 O GLY A 125 18.448 -2.563 -17.394 1.00 0.00 O ATOM 0 HA2 GLY A 125 17.446 -1.268 -19.334 1.00 0.00 H new ATOM 0 HA3 GLY A 125 15.935 -1.861 -18.673 1.00 0.00 H new ATOM 2066 N ILE A 126 17.465 -4.394 -18.256 1.00 0.00 N ATOM 2067 CA ILE A 126 18.185 -5.353 -17.420 1.00 0.00 C ATOM 2068 C ILE A 126 19.306 -6.066 -18.182 1.00 0.00 C ATOM 2069 O ILE A 126 20.217 -6.597 -17.550 1.00 0.00 O ATOM 2070 CB ILE A 126 17.214 -6.302 -16.689 1.00 0.00 C ATOM 2071 CG1 ILE A 126 16.271 -7.131 -17.589 1.00 0.00 C ATOM 2072 CG2 ILE A 126 16.396 -5.515 -15.656 1.00 0.00 C ATOM 2073 CD1 ILE A 126 15.347 -8.077 -16.801 1.00 0.00 C ATOM 0 H ILE A 126 16.812 -4.829 -18.907 1.00 0.00 H new ATOM 0 HA ILE A 126 18.698 -4.794 -16.637 1.00 0.00 H new ATOM 0 HB ILE A 126 17.856 -7.041 -16.210 1.00 0.00 H new ATOM 0 HG12 ILE A 126 15.661 -6.453 -18.185 1.00 0.00 H new ATOM 0 HG13 ILE A 126 16.869 -7.717 -18.286 1.00 0.00 H new ATOM 0 HG21 ILE A 126 15.712 -6.191 -15.143 1.00 0.00 H new ATOM 0 HG22 ILE A 126 17.069 -5.059 -14.930 1.00 0.00 H new ATOM 0 HG23 ILE A 126 15.826 -4.735 -16.161 1.00 0.00 H new ATOM 0 HD11 ILE A 126 14.712 -8.628 -17.495 1.00 0.00 H new ATOM 0 HD12 ILE A 126 15.950 -8.779 -16.226 1.00 0.00 H new ATOM 0 HD13 ILE A 126 14.723 -7.495 -16.123 1.00 0.00 H new ATOM 2085 N LEU A 127 19.318 -6.015 -19.515 1.00 0.00 N ATOM 2086 CA LEU A 127 20.445 -6.461 -20.331 1.00 0.00 C ATOM 2087 C LEU A 127 21.682 -5.622 -19.969 1.00 0.00 C ATOM 2088 O LEU A 127 22.785 -6.156 -19.854 1.00 0.00 O ATOM 2089 CB LEU A 127 20.057 -6.328 -21.817 1.00 0.00 C ATOM 2090 CG LEU A 127 20.754 -7.303 -22.784 1.00 0.00 C ATOM 2091 CD1 LEU A 127 20.164 -7.107 -24.186 1.00 0.00 C ATOM 2092 CD2 LEU A 127 22.276 -7.145 -22.857 1.00 0.00 C ATOM 0 H LEU A 127 18.535 -5.658 -20.063 1.00 0.00 H new ATOM 0 HA LEU A 127 20.689 -7.506 -20.141 1.00 0.00 H new ATOM 0 HB2 LEU A 127 18.980 -6.467 -21.905 1.00 0.00 H new ATOM 0 HB3 LEU A 127 20.274 -5.310 -22.139 1.00 0.00 H new ATOM 0 HG LEU A 127 20.573 -8.306 -22.397 1.00 0.00 H new ATOM 0 HD11 LEU A 127 20.648 -7.791 -24.883 1.00 0.00 H new ATOM 0 HD12 LEU A 127 19.093 -7.310 -24.162 1.00 0.00 H new ATOM 0 HD13 LEU A 127 20.331 -6.080 -24.511 1.00 0.00 H new ATOM 0 HD21 LEU A 127 22.684 -7.870 -23.561 1.00 0.00 H new ATOM 0 HD22 LEU A 127 22.522 -6.137 -23.192 1.00 0.00 H new ATOM 0 HD23 LEU A 127 22.707 -7.315 -21.870 1.00 0.00 H new ATOM 2104 N LEU A 128 21.495 -4.323 -19.702 1.00 0.00 N ATOM 2105 CA LEU A 128 22.557 -3.470 -19.168 1.00 0.00 C ATOM 2106 C LEU A 128 23.083 -4.033 -17.849 1.00 0.00 C ATOM 2107 O LEU A 128 24.293 -4.143 -17.683 1.00 0.00 O ATOM 2108 CB LEU A 128 22.048 -2.026 -19.003 1.00 0.00 C ATOM 2109 CG LEU A 128 23.065 -0.975 -18.491 1.00 0.00 C ATOM 2110 CD1 LEU A 128 23.281 -0.994 -16.969 1.00 0.00 C ATOM 2111 CD2 LEU A 128 24.422 -1.039 -19.205 1.00 0.00 C ATOM 0 H LEU A 128 20.609 -3.839 -19.850 1.00 0.00 H new ATOM 0 HA LEU A 128 23.387 -3.454 -19.874 1.00 0.00 H new ATOM 0 HB2 LEU A 128 21.669 -1.688 -19.968 1.00 0.00 H new ATOM 0 HB3 LEU A 128 21.202 -2.042 -18.316 1.00 0.00 H new ATOM 0 HG LEU A 128 22.588 -0.028 -18.742 1.00 0.00 H new ATOM 0 HD11 LEU A 128 24.007 -0.228 -16.695 1.00 0.00 H new ATOM 0 HD12 LEU A 128 22.335 -0.795 -16.465 1.00 0.00 H new ATOM 0 HD13 LEU A 128 23.654 -1.972 -16.667 1.00 0.00 H new ATOM 0 HD21 LEU A 128 25.084 -0.276 -18.797 1.00 0.00 H new ATOM 0 HD22 LEU A 128 24.866 -2.023 -19.055 1.00 0.00 H new ATOM 0 HD23 LEU A 128 24.281 -0.864 -20.271 1.00 0.00 H new ATOM 2123 N ILE A 129 22.204 -4.416 -16.919 1.00 0.00 N ATOM 2124 CA ILE A 129 22.631 -4.918 -15.615 1.00 0.00 C ATOM 2125 C ILE A 129 23.412 -6.225 -15.794 1.00 0.00 C ATOM 2126 O ILE A 129 24.446 -6.405 -15.154 1.00 0.00 O ATOM 2127 CB ILE A 129 21.438 -5.107 -14.653 1.00 0.00 C ATOM 2128 CG1 ILE A 129 20.552 -3.849 -14.536 1.00 0.00 C ATOM 2129 CG2 ILE A 129 21.981 -5.494 -13.266 1.00 0.00 C ATOM 2130 CD1 ILE A 129 19.261 -4.124 -13.753 1.00 0.00 C ATOM 0 H ILE A 129 21.193 -4.387 -17.047 1.00 0.00 H new ATOM 0 HA ILE A 129 23.285 -4.174 -15.160 1.00 0.00 H new ATOM 0 HB ILE A 129 20.805 -5.895 -15.060 1.00 0.00 H new ATOM 0 HG12 ILE A 129 21.113 -3.055 -14.042 1.00 0.00 H new ATOM 0 HG13 ILE A 129 20.301 -3.489 -15.534 1.00 0.00 H new ATOM 0 HG21 ILE A 129 21.149 -5.631 -12.575 1.00 0.00 H new ATOM 0 HG22 ILE A 129 22.546 -6.423 -13.343 1.00 0.00 H new ATOM 0 HG23 ILE A 129 22.633 -4.702 -12.897 1.00 0.00 H new ATOM 0 HD11 ILE A 129 18.669 -3.211 -13.696 1.00 0.00 H new ATOM 0 HD12 ILE A 129 18.686 -4.898 -14.260 1.00 0.00 H new ATOM 0 HD13 ILE A 129 19.510 -4.458 -12.746 1.00 0.00 H new ATOM 2142 N ASP A 130 22.961 -7.121 -16.678 1.00 0.00 N ATOM 2143 CA ASP A 130 23.695 -8.349 -16.988 1.00 0.00 C ATOM 2144 C ASP A 130 25.078 -8.026 -17.556 1.00 0.00 C ATOM 2145 O ASP A 130 26.062 -8.665 -17.187 1.00 0.00 O ATOM 2146 CB ASP A 130 22.915 -9.214 -17.979 1.00 0.00 C ATOM 2147 CG ASP A 130 23.726 -10.460 -18.371 1.00 0.00 C ATOM 2148 OD1 ASP A 130 23.821 -11.402 -17.552 1.00 0.00 O ATOM 2149 OD2 ASP A 130 24.235 -10.523 -19.512 1.00 0.00 O ATOM 0 H ASP A 130 22.087 -7.016 -17.193 1.00 0.00 H new ATOM 0 HA ASP A 130 23.818 -8.906 -16.059 1.00 0.00 H new ATOM 0 HB2 ASP A 130 21.966 -9.517 -17.536 1.00 0.00 H new ATOM 0 HB3 ASP A 130 22.680 -8.632 -18.870 1.00 0.00 H new ATOM 2154 N SER A 131 25.164 -6.998 -18.404 1.00 0.00 N ATOM 2155 CA SER A 131 26.424 -6.528 -18.959 1.00 0.00 C ATOM 2156 C SER A 131 27.321 -5.934 -17.865 1.00 0.00 C ATOM 2157 O SER A 131 28.530 -6.138 -17.901 1.00 0.00 O ATOM 2158 CB SER A 131 26.158 -5.506 -20.074 1.00 0.00 C ATOM 2159 OG SER A 131 25.254 -6.017 -21.042 1.00 0.00 O ATOM 0 H SER A 131 24.353 -6.469 -18.723 1.00 0.00 H new ATOM 0 HA SER A 131 26.954 -7.378 -19.388 1.00 0.00 H new ATOM 0 HB2 SER A 131 25.752 -4.592 -19.642 1.00 0.00 H new ATOM 0 HB3 SER A 131 27.098 -5.240 -20.557 1.00 0.00 H new ATOM 0 HG SER A 131 24.349 -6.037 -20.666 1.00 0.00 H new ATOM 2165 N GLU A 132 26.762 -5.233 -16.874 1.00 0.00 N ATOM 2166 CA GLU A 132 27.529 -4.657 -15.776 1.00 0.00 C ATOM 2167 C GLU A 132 28.066 -5.761 -14.857 1.00 0.00 C ATOM 2168 O GLU A 132 29.224 -5.714 -14.439 1.00 0.00 O ATOM 2169 CB GLU A 132 26.657 -3.651 -15.007 1.00 0.00 C ATOM 2170 CG GLU A 132 27.450 -2.858 -13.952 1.00 0.00 C ATOM 2171 CD GLU A 132 28.618 -2.044 -14.536 1.00 0.00 C ATOM 2172 OE1 GLU A 132 28.563 -1.612 -15.706 1.00 0.00 O ATOM 2173 OE2 GLU A 132 29.638 -1.843 -13.841 1.00 0.00 O ATOM 0 H GLU A 132 25.760 -5.051 -16.815 1.00 0.00 H new ATOM 0 HA GLU A 132 28.390 -4.123 -16.177 1.00 0.00 H new ATOM 0 HB2 GLU A 132 26.204 -2.955 -15.713 1.00 0.00 H new ATOM 0 HB3 GLU A 132 25.842 -4.184 -14.517 1.00 0.00 H new ATOM 0 HG2 GLU A 132 26.771 -2.181 -13.434 1.00 0.00 H new ATOM 0 HG3 GLU A 132 27.839 -3.551 -13.207 1.00 0.00 H new ATOM 2180 N ILE A 133 27.245 -6.773 -14.572 1.00 0.00 N ATOM 2181 CA ILE A 133 27.657 -7.960 -13.830 1.00 0.00 C ATOM 2182 C ILE A 133 28.783 -8.662 -14.600 1.00 0.00 C ATOM 2183 O ILE A 133 29.817 -8.969 -14.004 1.00 0.00 O ATOM 2184 CB ILE A 133 26.419 -8.850 -13.557 1.00 0.00 C ATOM 2185 CG1 ILE A 133 25.514 -8.230 -12.471 1.00 0.00 C ATOM 2186 CG2 ILE A 133 26.753 -10.289 -13.142 1.00 0.00 C ATOM 2187 CD1 ILE A 133 26.030 -8.338 -11.038 1.00 0.00 C ATOM 0 H ILE A 133 26.265 -6.789 -14.854 1.00 0.00 H new ATOM 0 HA ILE A 133 28.065 -7.704 -12.852 1.00 0.00 H new ATOM 0 HB ILE A 133 25.902 -8.896 -14.515 1.00 0.00 H new ATOM 0 HG12 ILE A 133 25.366 -7.176 -12.706 1.00 0.00 H new ATOM 0 HG13 ILE A 133 24.536 -8.708 -12.522 1.00 0.00 H new ATOM 0 HG21 ILE A 133 25.829 -10.842 -12.971 1.00 0.00 H new ATOM 0 HG22 ILE A 133 27.324 -10.773 -13.934 1.00 0.00 H new ATOM 0 HG23 ILE A 133 27.343 -10.276 -12.226 1.00 0.00 H new ATOM 0 HD11 ILE A 133 25.317 -7.871 -10.358 1.00 0.00 H new ATOM 0 HD12 ILE A 133 26.149 -9.388 -10.772 1.00 0.00 H new ATOM 0 HD13 ILE A 133 26.992 -7.832 -10.959 1.00 0.00 H new ATOM 2199 N ALA A 134 28.638 -8.860 -15.915 1.00 0.00 N ATOM 2200 CA ALA A 134 29.671 -9.476 -16.740 1.00 0.00 C ATOM 2201 C ALA A 134 30.962 -8.652 -16.724 1.00 0.00 C ATOM 2202 O ALA A 134 32.039 -9.214 -16.550 1.00 0.00 O ATOM 2203 CB ALA A 134 29.158 -9.667 -18.172 1.00 0.00 C ATOM 0 H ALA A 134 27.800 -8.596 -16.433 1.00 0.00 H new ATOM 0 HA ALA A 134 29.905 -10.455 -16.321 1.00 0.00 H new ATOM 0 HB1 ALA A 134 29.937 -10.128 -18.779 1.00 0.00 H new ATOM 0 HB2 ALA A 134 28.279 -10.311 -18.161 1.00 0.00 H new ATOM 0 HB3 ALA A 134 28.893 -8.698 -18.596 1.00 0.00 H new ATOM 2209 N ARG A 135 30.869 -7.324 -16.853 1.00 0.00 N ATOM 2210 CA ARG A 135 32.014 -6.418 -16.736 1.00 0.00 C ATOM 2211 C ARG A 135 32.697 -6.583 -15.384 1.00 0.00 C ATOM 2212 O ARG A 135 33.923 -6.661 -15.331 1.00 0.00 O ATOM 2213 CB ARG A 135 31.547 -4.963 -16.911 1.00 0.00 C ATOM 2214 CG ARG A 135 31.427 -4.534 -18.382 1.00 0.00 C ATOM 2215 CD ARG A 135 30.542 -3.290 -18.600 1.00 0.00 C ATOM 2216 NE ARG A 135 30.564 -2.325 -17.483 1.00 0.00 N ATOM 2217 CZ ARG A 135 31.571 -1.553 -17.068 1.00 0.00 C ATOM 2218 NH1 ARG A 135 32.699 -1.452 -17.769 1.00 0.00 N ATOM 2219 NH2 ARG A 135 31.423 -0.899 -15.922 1.00 0.00 N ATOM 0 H ARG A 135 29.989 -6.845 -17.043 1.00 0.00 H new ATOM 0 HA ARG A 135 32.732 -6.665 -17.518 1.00 0.00 H new ATOM 0 HB2 ARG A 135 30.580 -4.838 -16.424 1.00 0.00 H new ATOM 0 HB3 ARG A 135 32.248 -4.301 -16.403 1.00 0.00 H new ATOM 0 HG2 ARG A 135 32.424 -4.332 -18.774 1.00 0.00 H new ATOM 0 HG3 ARG A 135 31.020 -5.363 -18.960 1.00 0.00 H new ATOM 0 HD2 ARG A 135 30.866 -2.783 -19.509 1.00 0.00 H new ATOM 0 HD3 ARG A 135 29.514 -3.614 -18.765 1.00 0.00 H new ATOM 0 HE ARG A 135 29.694 -2.236 -16.958 1.00 0.00 H new ATOM 0 HH11 ARG A 135 32.806 -1.970 -18.641 1.00 0.00 H new ATOM 0 HH12 ARG A 135 33.456 -0.856 -17.434 1.00 0.00 H new ATOM 0 HH21 ARG A 135 30.559 -0.995 -15.388 1.00 0.00 H new ATOM 0 HH22 ARG A 135 32.173 -0.301 -15.576 1.00 0.00 H new ATOM 2233 N THR A 136 31.925 -6.655 -14.303 1.00 0.00 N ATOM 2234 CA THR A 136 32.458 -6.787 -12.956 1.00 0.00 C ATOM 2235 C THR A 136 33.190 -8.134 -12.817 1.00 0.00 C ATOM 2236 O THR A 136 34.333 -8.153 -12.353 1.00 0.00 O ATOM 2237 CB THR A 136 31.315 -6.548 -11.949 1.00 0.00 C ATOM 2238 OG1 THR A 136 30.746 -5.272 -12.193 1.00 0.00 O ATOM 2239 CG2 THR A 136 31.798 -6.543 -10.496 1.00 0.00 C ATOM 0 H THR A 136 30.906 -6.623 -14.340 1.00 0.00 H new ATOM 0 HA THR A 136 33.215 -6.034 -12.737 1.00 0.00 H new ATOM 0 HB THR A 136 30.602 -7.361 -12.084 1.00 0.00 H new ATOM 0 HG1 THR A 136 30.200 -5.307 -13.006 1.00 0.00 H new ATOM 0 HG21 THR A 136 30.951 -6.371 -9.832 1.00 0.00 H new ATOM 0 HG22 THR A 136 32.254 -7.505 -10.261 1.00 0.00 H new ATOM 0 HG23 THR A 136 32.533 -5.750 -10.360 1.00 0.00 H new ATOM 2247 N TYR A 137 32.604 -9.240 -13.297 1.00 0.00 N ATOM 2248 CA TYR A 137 33.275 -10.541 -13.335 1.00 0.00 C ATOM 2249 C TYR A 137 34.560 -10.483 -14.171 1.00 0.00 C ATOM 2250 O TYR A 137 35.582 -11.027 -13.757 1.00 0.00 O ATOM 2251 CB TYR A 137 32.346 -11.622 -13.919 1.00 0.00 C ATOM 2252 CG TYR A 137 31.412 -12.308 -12.940 1.00 0.00 C ATOM 2253 CD1 TYR A 137 31.942 -13.153 -11.943 1.00 0.00 C ATOM 2254 CD2 TYR A 137 30.015 -12.191 -13.082 1.00 0.00 C ATOM 2255 CE1 TYR A 137 31.086 -13.879 -11.097 1.00 0.00 C ATOM 2256 CE2 TYR A 137 29.153 -12.916 -12.241 1.00 0.00 C ATOM 2257 CZ TYR A 137 29.683 -13.770 -11.247 1.00 0.00 C ATOM 2258 OH TYR A 137 28.837 -14.472 -10.441 1.00 0.00 O ATOM 0 H TYR A 137 31.654 -9.255 -13.668 1.00 0.00 H new ATOM 0 HA TYR A 137 33.531 -10.798 -12.307 1.00 0.00 H new ATOM 0 HB2 TYR A 137 31.743 -11.167 -14.705 1.00 0.00 H new ATOM 0 HB3 TYR A 137 32.964 -12.384 -14.393 1.00 0.00 H new ATOM 0 HD1 TYR A 137 33.012 -13.243 -11.829 1.00 0.00 H new ATOM 0 HD2 TYR A 137 29.605 -11.541 -13.841 1.00 0.00 H new ATOM 0 HE1 TYR A 137 31.499 -14.520 -10.332 1.00 0.00 H new ATOM 0 HE2 TYR A 137 28.083 -12.820 -12.355 1.00 0.00 H new ATOM 0 HH TYR A 137 27.910 -14.272 -10.687 1.00 0.00 H new ATOM 2268 N LEU A 138 34.514 -9.839 -15.343 1.00 0.00 N ATOM 2269 CA LEU A 138 35.626 -9.796 -16.287 1.00 0.00 C ATOM 2270 C LEU A 138 36.801 -9.026 -15.691 1.00 0.00 C ATOM 2271 O LEU A 138 37.924 -9.529 -15.688 1.00 0.00 O ATOM 2272 CB LEU A 138 35.147 -9.154 -17.603 1.00 0.00 C ATOM 2273 CG LEU A 138 36.247 -8.955 -18.664 1.00 0.00 C ATOM 2274 CD1 LEU A 138 36.888 -10.279 -19.097 1.00 0.00 C ATOM 2275 CD2 LEU A 138 35.641 -8.256 -19.887 1.00 0.00 C ATOM 0 H LEU A 138 33.691 -9.328 -15.662 1.00 0.00 H new ATOM 0 HA LEU A 138 35.970 -10.809 -16.495 1.00 0.00 H new ATOM 0 HB2 LEU A 138 34.360 -9.776 -18.029 1.00 0.00 H new ATOM 0 HB3 LEU A 138 34.701 -8.186 -17.377 1.00 0.00 H new ATOM 0 HG LEU A 138 37.033 -8.345 -18.219 1.00 0.00 H new ATOM 0 HD11 LEU A 138 37.656 -10.084 -19.845 1.00 0.00 H new ATOM 0 HD12 LEU A 138 37.339 -10.765 -18.232 1.00 0.00 H new ATOM 0 HD13 LEU A 138 36.125 -10.931 -19.522 1.00 0.00 H new ATOM 0 HD21 LEU A 138 36.413 -8.111 -20.643 1.00 0.00 H new ATOM 0 HD22 LEU A 138 34.841 -8.871 -20.299 1.00 0.00 H new ATOM 0 HD23 LEU A 138 35.238 -7.288 -19.590 1.00 0.00 H new