USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=32 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+ 168:sc= 0.554 (180deg=0) USER MOD Set 1.2: A 136 THR OG1 : rot 71:sc= 1.57 USER MOD Set 2.1: A 46 THR OG1 : rot 71:sc= 1.49 USER MOD Set 2.2: A 81 TYR OH : rot 1:sc= 0.213 USER MOD Set 3.1: A 74 ASN : amide:sc= -0.0832 X(o=0.3,f=0.27) USER MOD Set 3.2: A 77 SER OG : rot 180:sc= 0.386 USER MOD Set 4.1: A 62 TYR OH : rot -51:sc=0.000303 USER MOD Set 4.2: A 70 TYR OH : rot 180:sc= 0.00139 USER MOD Set 5.1: A 64 ASN : amide:sc= 1.45 K(o=2.7,f=-8.1!) USER MOD Set 5.2: A 68 LYS NZ :NH3+ -144:sc= 1.24 (180deg=0.635) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.308 K(o=0.31,f=-2.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 83:sc= 1.3 USER MOD Single : A 13 THR OG1 : rot 69:sc= 1.19 USER MOD Single : A 16 MET CE :methyl 156:sc= -0.0507 (180deg=-0.264) USER MOD Single : A 21 SER OG : rot 87:sc= 1.27 USER MOD Single : A 23 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=-0.14) USER MOD Single : A 28 GLN : amide:sc= 0.796 K(o=0.8,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.14) 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= -1.2 K(o=-1.2,f=-0.023) USER MOD Single : A 42 SER OG : rot -6:sc= 0.307 USER MOD Single : A 44 SER OG : rot 79:sc= 1.2 USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 1.23 (180deg=0.98) USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= 1.24 (180deg=0.355) USER MOD Single : A 54 SER OG : rot -130:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 67 SER OG : rot -179:sc= 0.0223 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 1.07 K(o=1.1,f=-0.49) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 87:sc= 1.23 USER MOD Single : A 89 SER OG : rot 79:sc= 1.21 USER MOD Single : A 90 LYS NZ :NH3+ 157:sc= 1.23 (180deg=0.871) USER MOD Single : A 95 SER OG : rot -179:sc= 0.0344 USER MOD Single : A 97 LYS NZ :NH3+ 150:sc= 0.855 (180deg=0.128) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -170:sc= 2.29 (180deg=2.06) USER MOD Single : A 105 GLN : amide:sc= -0.0926 X(o=-0.093,f=-0.1) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 131 SER OG : rot 83:sc= 1.26 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASN A 4 5.325 8.508 5.492 1.00 0.00 N ATOM 53 CA ASN A 4 5.939 9.724 6.026 1.00 0.00 C ATOM 54 C ASN A 4 6.893 9.491 7.199 1.00 0.00 C ATOM 55 O ASN A 4 7.911 10.170 7.276 1.00 0.00 O ATOM 56 CB ASN A 4 4.851 10.730 6.426 1.00 0.00 C ATOM 57 CG ASN A 4 5.475 12.031 6.932 1.00 0.00 C ATOM 58 OD1 ASN A 4 6.086 12.773 6.169 1.00 0.00 O ATOM 59 ND2 ASN A 4 5.335 12.339 8.212 1.00 0.00 N ATOM 0 HA ASN A 4 6.554 10.123 5.219 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.209 10.938 5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 4 4.218 10.299 7.202 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.738 13.203 8.576 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.825 11.713 8.834 1.00 0.00 H new ATOM 66 N HIS A 5 6.608 8.540 8.094 1.00 0.00 N ATOM 67 CA HIS A 5 7.492 8.258 9.228 1.00 0.00 C ATOM 68 C HIS A 5 8.841 7.704 8.747 1.00 0.00 C ATOM 69 O HIS A 5 9.889 8.066 9.290 1.00 0.00 O ATOM 70 CB HIS A 5 6.798 7.286 10.198 1.00 0.00 C ATOM 71 CG HIS A 5 7.482 7.121 11.540 1.00 0.00 C ATOM 72 ND1 HIS A 5 8.811 7.348 11.836 1.00 0.00 N ATOM 73 CD2 HIS A 5 6.883 6.707 12.700 1.00 0.00 C ATOM 74 CE1 HIS A 5 9.005 7.079 13.138 1.00 0.00 C ATOM 75 NE2 HIS A 5 7.853 6.682 13.713 1.00 0.00 N ATOM 0 H HIS A 5 5.774 7.954 8.055 1.00 0.00 H new ATOM 0 HA HIS A 5 7.696 9.188 9.759 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.778 7.632 10.367 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.728 6.309 9.721 1.00 0.00 H new ATOM 0 HD1 HIS A 5 9.524 7.666 11.179 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.842 6.445 12.815 1.00 0.00 H new ATOM 0 HE1 HIS A 5 9.951 7.168 13.651 1.00 0.00 H new ATOM 83 N GLU A 6 8.837 6.844 7.724 1.00 0.00 N ATOM 84 CA GLU A 6 10.074 6.326 7.153 1.00 0.00 C ATOM 85 C GLU A 6 10.796 7.450 6.419 1.00 0.00 C ATOM 86 O GLU A 6 12.012 7.578 6.514 1.00 0.00 O ATOM 87 CB GLU A 6 9.814 5.190 6.160 1.00 0.00 C ATOM 88 CG GLU A 6 9.065 3.972 6.719 1.00 0.00 C ATOM 89 CD GLU A 6 8.883 2.869 5.659 1.00 0.00 C ATOM 90 OE1 GLU A 6 9.043 3.145 4.444 1.00 0.00 O ATOM 91 OE2 GLU A 6 8.573 1.714 6.032 1.00 0.00 O ATOM 0 H GLU A 6 7.989 6.495 7.278 1.00 0.00 H new ATOM 0 HA GLU A 6 10.678 5.937 7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.244 5.590 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.772 4.853 5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.613 3.569 7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.088 4.285 7.088 1.00 0.00 H new ATOM 98 N ILE A 7 10.055 8.288 5.698 1.00 0.00 N ATOM 99 CA ILE A 7 10.658 9.385 4.958 1.00 0.00 C ATOM 100 C ILE A 7 11.303 10.370 5.935 1.00 0.00 C ATOM 101 O ILE A 7 12.397 10.852 5.658 1.00 0.00 O ATOM 102 CB ILE A 7 9.622 10.062 4.028 1.00 0.00 C ATOM 103 CG1 ILE A 7 9.024 9.084 2.990 1.00 0.00 C ATOM 104 CG2 ILE A 7 10.228 11.291 3.332 1.00 0.00 C ATOM 105 CD1 ILE A 7 9.963 8.662 1.853 1.00 0.00 C ATOM 0 H ILE A 7 9.040 8.226 5.613 1.00 0.00 H new ATOM 0 HA ILE A 7 11.444 8.997 4.309 1.00 0.00 H new ATOM 0 HB ILE A 7 8.800 10.390 4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.691 8.187 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.138 9.545 2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.480 11.748 2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.548 12.013 4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.086 10.984 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 7 9.441 7.977 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.277 9.544 1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.839 8.165 2.270 1.00 0.00 H new ATOM 117 N ASP A 8 10.683 10.641 7.084 1.00 0.00 N ATOM 118 CA ASP A 8 11.237 11.540 8.089 1.00 0.00 C ATOM 119 C ASP A 8 12.565 11.017 8.631 1.00 0.00 C ATOM 120 O ASP A 8 13.520 11.790 8.748 1.00 0.00 O ATOM 121 CB ASP A 8 10.240 11.734 9.236 1.00 0.00 C ATOM 122 CG ASP A 8 10.844 12.615 10.342 1.00 0.00 C ATOM 123 OD1 ASP A 8 10.883 13.855 10.176 1.00 0.00 O ATOM 124 OD2 ASP A 8 11.246 12.078 11.397 1.00 0.00 O ATOM 0 H ASP A 8 9.781 10.241 7.342 1.00 0.00 H new ATOM 0 HA ASP A 8 11.423 12.502 7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.327 12.194 8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.961 10.765 9.649 1.00 0.00 H new ATOM 129 N THR A 9 12.662 9.713 8.921 1.00 0.00 N ATOM 130 CA THR A 9 13.895 9.144 9.453 1.00 0.00 C ATOM 131 C THR A 9 14.967 9.099 8.348 1.00 0.00 C ATOM 132 O THR A 9 16.118 9.479 8.590 1.00 0.00 O ATOM 133 CB THR A 9 13.592 7.793 10.148 1.00 0.00 C ATOM 134 OG1 THR A 9 14.481 7.574 11.227 1.00 0.00 O ATOM 135 CG2 THR A 9 13.628 6.548 9.257 1.00 0.00 C ATOM 0 H THR A 9 11.905 9.041 8.796 1.00 0.00 H new ATOM 0 HA THR A 9 14.320 9.774 10.234 1.00 0.00 H new ATOM 0 HB THR A 9 12.559 7.910 10.475 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.272 6.717 11.654 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.400 5.666 9.855 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.889 6.648 8.462 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.620 6.443 8.819 1.00 0.00 H new ATOM 143 N ILE A 10 14.588 8.712 7.122 1.00 0.00 N ATOM 144 CA ILE A 10 15.488 8.667 5.975 1.00 0.00 C ATOM 145 C ILE A 10 16.038 10.065 5.725 1.00 0.00 C ATOM 146 O ILE A 10 17.252 10.243 5.709 1.00 0.00 O ATOM 147 CB ILE A 10 14.750 8.063 4.748 1.00 0.00 C ATOM 148 CG1 ILE A 10 14.701 6.528 4.924 1.00 0.00 C ATOM 149 CG2 ILE A 10 15.383 8.448 3.395 1.00 0.00 C ATOM 150 CD1 ILE A 10 13.824 5.798 3.901 1.00 0.00 C ATOM 0 H ILE A 10 13.636 8.419 6.903 1.00 0.00 H new ATOM 0 HA ILE A 10 16.339 8.015 6.170 1.00 0.00 H new ATOM 0 HB ILE A 10 13.744 8.481 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 10 15.716 6.135 4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 10 14.334 6.301 5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.815 7.991 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.368 9.532 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.413 8.094 3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.848 4.727 4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.798 6.158 3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.201 5.989 2.896 1.00 0.00 H new ATOM 162 N LEU A 11 15.173 11.065 5.559 1.00 0.00 N ATOM 163 CA LEU A 11 15.591 12.379 5.106 1.00 0.00 C ATOM 164 C LEU A 11 16.405 13.102 6.170 1.00 0.00 C ATOM 165 O LEU A 11 17.373 13.773 5.825 1.00 0.00 O ATOM 166 CB LEU A 11 14.375 13.175 4.616 1.00 0.00 C ATOM 167 CG LEU A 11 14.727 14.471 3.862 1.00 0.00 C ATOM 168 CD1 LEU A 11 15.664 14.247 2.663 1.00 0.00 C ATOM 169 CD2 LEU A 11 13.428 15.084 3.340 1.00 0.00 C ATOM 0 H LEU A 11 14.172 10.982 5.735 1.00 0.00 H new ATOM 0 HA LEU A 11 16.263 12.270 4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.779 12.539 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.750 13.426 5.473 1.00 0.00 H new ATOM 0 HG LEU A 11 15.248 15.122 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.870 15.202 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.599 13.807 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.188 13.574 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.651 16.005 2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.938 14.380 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.767 15.305 4.178 1.00 0.00 H new ATOM 181 N SER A 12 16.098 12.904 7.452 1.00 0.00 N ATOM 182 CA SER A 12 16.937 13.402 8.535 1.00 0.00 C ATOM 183 C SER A 12 18.301 12.716 8.532 1.00 0.00 C ATOM 184 O SER A 12 19.305 13.394 8.747 1.00 0.00 O ATOM 185 CB SER A 12 16.236 13.216 9.887 1.00 0.00 C ATOM 186 OG SER A 12 14.934 13.772 9.869 1.00 0.00 O ATOM 0 H SER A 12 15.269 12.399 7.764 1.00 0.00 H new ATOM 0 HA SER A 12 17.100 14.468 8.376 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.178 12.154 10.126 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.825 13.688 10.673 1.00 0.00 H new ATOM 0 HG SER A 12 14.310 13.130 9.471 1.00 0.00 H new ATOM 192 N THR A 13 18.376 11.412 8.253 1.00 0.00 N ATOM 193 CA THR A 13 19.663 10.739 8.185 1.00 0.00 C ATOM 194 C THR A 13 20.465 11.232 6.977 1.00 0.00 C ATOM 195 O THR A 13 21.643 11.554 7.108 1.00 0.00 O ATOM 196 CB THR A 13 19.505 9.215 8.169 1.00 0.00 C ATOM 197 OG1 THR A 13 18.711 8.782 9.258 1.00 0.00 O ATOM 198 CG2 THR A 13 20.909 8.612 8.285 1.00 0.00 C ATOM 0 H THR A 13 17.570 10.814 8.074 1.00 0.00 H new ATOM 0 HA THR A 13 20.220 10.991 9.087 1.00 0.00 H new ATOM 0 HB THR A 13 19.012 8.898 7.250 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.785 9.072 9.123 1.00 0.00 H new ATOM 0 HG21 THR A 13 20.840 7.524 8.277 1.00 0.00 H new ATOM 0 HG22 THR A 13 21.518 8.943 7.443 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.370 8.939 9.217 1.00 0.00 H new ATOM 206 N LEU A 14 19.834 11.339 5.810 1.00 0.00 N ATOM 207 CA LEU A 14 20.472 11.869 4.612 1.00 0.00 C ATOM 208 C LEU A 14 21.015 13.260 4.917 1.00 0.00 C ATOM 209 O LEU A 14 22.190 13.515 4.685 1.00 0.00 O ATOM 210 CB LEU A 14 19.470 11.931 3.447 1.00 0.00 C ATOM 211 CG LEU A 14 19.026 10.556 2.916 1.00 0.00 C ATOM 212 CD1 LEU A 14 17.780 10.721 2.049 1.00 0.00 C ATOM 213 CD2 LEU A 14 20.119 9.870 2.091 1.00 0.00 C ATOM 0 H LEU A 14 18.863 11.059 5.670 1.00 0.00 H new ATOM 0 HA LEU A 14 21.290 11.212 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.588 12.484 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.917 12.496 2.629 1.00 0.00 H new ATOM 0 HG LEU A 14 18.815 9.927 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.466 9.747 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.977 11.156 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.006 11.378 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.757 8.904 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.375 10.495 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.004 9.722 2.710 1.00 0.00 H new ATOM 225 N ARG A 15 20.193 14.141 5.492 1.00 0.00 N ATOM 226 CA ARG A 15 20.590 15.516 5.759 1.00 0.00 C ATOM 227 C ARG A 15 21.717 15.578 6.789 1.00 0.00 C ATOM 228 O ARG A 15 22.683 16.306 6.566 1.00 0.00 O ATOM 229 CB ARG A 15 19.356 16.332 6.168 1.00 0.00 C ATOM 230 CG ARG A 15 19.584 17.843 6.031 1.00 0.00 C ATOM 231 CD ARG A 15 18.266 18.574 6.296 1.00 0.00 C ATOM 232 NE ARG A 15 18.368 20.017 6.012 1.00 0.00 N ATOM 233 CZ ARG A 15 17.902 20.629 4.915 1.00 0.00 C ATOM 234 NH1 ARG A 15 17.421 19.948 3.881 1.00 0.00 N ATOM 235 NH2 ARG A 15 17.889 21.951 4.825 1.00 0.00 N ATOM 0 H ARG A 15 19.241 13.919 5.782 1.00 0.00 H new ATOM 0 HA ARG A 15 20.996 15.962 4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 15 18.508 16.038 5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 15 19.095 16.099 7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 15 20.346 18.174 6.737 1.00 0.00 H new ATOM 0 HG3 ARG A 15 19.951 18.079 5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 15 17.479 18.138 5.680 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.974 18.429 7.336 1.00 0.00 H new ATOM 0 HE ARG A 15 18.833 20.599 6.709 1.00 0.00 H new ATOM 0 HH11 ARG A 15 17.399 18.929 3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 15 17.074 20.444 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 15 18.237 22.518 5.598 1.00 0.00 H new ATOM 0 HH22 ARG A 15 17.531 22.401 3.983 1.00 0.00 H new ATOM 249 N MET A 16 21.639 14.813 7.886 1.00 0.00 N ATOM 250 CA MET A 16 22.713 14.821 8.886 1.00 0.00 C ATOM 251 C MET A 16 24.042 14.295 8.316 1.00 0.00 C ATOM 252 O MET A 16 25.109 14.745 8.736 1.00 0.00 O ATOM 253 CB MET A 16 22.304 14.086 10.180 1.00 0.00 C ATOM 254 CG MET A 16 22.411 12.564 10.123 1.00 0.00 C ATOM 255 SD MET A 16 21.994 11.670 11.652 1.00 0.00 S ATOM 256 CE MET A 16 20.257 12.141 11.905 1.00 0.00 C ATOM 0 H MET A 16 20.859 14.192 8.101 1.00 0.00 H new ATOM 0 HA MET A 16 22.882 15.863 9.156 1.00 0.00 H new ATOM 0 HB2 MET A 16 22.928 14.448 10.997 1.00 0.00 H new ATOM 0 HB3 MET A 16 21.275 14.353 10.421 1.00 0.00 H new ATOM 0 HG2 MET A 16 21.758 12.204 9.327 1.00 0.00 H new ATOM 0 HG3 MET A 16 23.431 12.303 9.841 1.00 0.00 H new ATOM 0 HE1 MET A 16 19.758 11.382 12.508 1.00 0.00 H new ATOM 0 HE2 MET A 16 20.212 13.101 12.419 1.00 0.00 H new ATOM 0 HE3 MET A 16 19.758 12.223 10.939 1.00 0.00 H new ATOM 266 N GLU A 17 23.991 13.347 7.376 1.00 0.00 N ATOM 267 CA GLU A 17 25.174 12.699 6.811 1.00 0.00 C ATOM 268 C GLU A 17 25.764 13.512 5.645 1.00 0.00 C ATOM 269 O GLU A 17 26.970 13.448 5.392 1.00 0.00 O ATOM 270 CB GLU A 17 24.775 11.307 6.289 1.00 0.00 C ATOM 271 CG GLU A 17 24.448 10.270 7.367 1.00 0.00 C ATOM 272 CD GLU A 17 25.662 9.408 7.743 1.00 0.00 C ATOM 273 OE1 GLU A 17 26.511 9.847 8.551 1.00 0.00 O ATOM 274 OE2 GLU A 17 25.755 8.269 7.227 1.00 0.00 O ATOM 0 H GLU A 17 23.115 13.005 6.982 1.00 0.00 H new ATOM 0 HA GLU A 17 25.929 12.625 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.907 11.417 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.588 10.922 5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 17 24.079 10.780 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 17 23.644 9.625 7.013 1.00 0.00 H new ATOM 281 N ALA A 18 24.920 14.243 4.916 1.00 0.00 N ATOM 282 CA ALA A 18 25.256 14.921 3.682 1.00 0.00 C ATOM 283 C ALA A 18 26.120 16.155 3.916 1.00 0.00 C ATOM 284 O ALA A 18 26.091 16.785 4.978 1.00 0.00 O ATOM 285 CB ALA A 18 23.947 15.357 3.009 1.00 0.00 C ATOM 0 H ALA A 18 23.946 14.379 5.188 1.00 0.00 H new ATOM 0 HA ALA A 18 25.826 14.233 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 18 24.172 15.872 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 18 23.335 14.479 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 18 23.404 16.030 3.672 1.00 0.00 H new ATOM 291 N ASP A 19 26.861 16.512 2.873 1.00 0.00 N ATOM 292 CA ASP A 19 27.571 17.789 2.809 1.00 0.00 C ATOM 293 C ASP A 19 26.525 18.911 2.674 1.00 0.00 C ATOM 294 O ASP A 19 25.606 18.758 1.861 1.00 0.00 O ATOM 295 CB ASP A 19 28.516 17.821 1.605 1.00 0.00 C ATOM 296 CG ASP A 19 29.309 19.134 1.579 1.00 0.00 C ATOM 297 OD1 ASP A 19 28.771 20.151 1.087 1.00 0.00 O ATOM 298 OD2 ASP A 19 30.465 19.151 2.057 1.00 0.00 O ATOM 0 H ASP A 19 26.988 15.927 2.047 1.00 0.00 H new ATOM 0 HA ASP A 19 28.166 17.923 3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 19 29.202 16.976 1.651 1.00 0.00 H new ATOM 0 HB3 ASP A 19 27.944 17.717 0.683 1.00 0.00 H new ATOM 303 N PRO A 20 26.623 20.032 3.417 1.00 0.00 N ATOM 304 CA PRO A 20 25.657 21.129 3.357 1.00 0.00 C ATOM 305 C PRO A 20 25.333 21.644 1.948 1.00 0.00 C ATOM 306 O PRO A 20 24.212 22.100 1.711 1.00 0.00 O ATOM 307 CB PRO A 20 26.245 22.246 4.222 1.00 0.00 C ATOM 308 CG PRO A 20 27.071 21.484 5.255 1.00 0.00 C ATOM 309 CD PRO A 20 27.605 20.293 4.460 1.00 0.00 C ATOM 0 HA PRO A 20 24.695 20.765 3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 20 26.861 22.928 3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 20 25.465 22.845 4.692 1.00 0.00 H new ATOM 0 HG2 PRO A 20 27.879 22.096 5.656 1.00 0.00 H new ATOM 0 HG3 PRO A 20 26.463 21.164 6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 20 28.581 20.518 4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 20 27.733 19.421 5.102 1.00 0.00 H new ATOM 317 N SER A 21 26.272 21.558 0.999 1.00 0.00 N ATOM 318 CA SER A 21 26.080 22.022 -0.374 1.00 0.00 C ATOM 319 C SER A 21 24.942 21.274 -1.090 1.00 0.00 C ATOM 320 O SER A 21 24.410 21.769 -2.084 1.00 0.00 O ATOM 321 CB SER A 21 27.385 21.856 -1.169 1.00 0.00 C ATOM 322 OG SER A 21 28.521 22.228 -0.408 1.00 0.00 O ATOM 0 H SER A 21 27.196 21.159 1.168 1.00 0.00 H new ATOM 0 HA SER A 21 25.802 23.075 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 21 27.486 20.819 -1.488 1.00 0.00 H new ATOM 0 HB3 SER A 21 27.339 22.464 -2.073 1.00 0.00 H new ATOM 0 HG SER A 21 28.836 21.457 0.108 1.00 0.00 H new ATOM 328 N LEU A 22 24.570 20.086 -0.602 1.00 0.00 N ATOM 329 CA LEU A 22 23.532 19.243 -1.187 1.00 0.00 C ATOM 330 C LEU A 22 22.136 19.663 -0.714 1.00 0.00 C ATOM 331 O LEU A 22 21.144 19.242 -1.310 1.00 0.00 O ATOM 332 CB LEU A 22 23.792 17.776 -0.794 1.00 0.00 C ATOM 333 CG LEU A 22 25.148 17.229 -1.285 1.00 0.00 C ATOM 334 CD1 LEU A 22 25.462 15.889 -0.632 1.00 0.00 C ATOM 335 CD2 LEU A 22 25.183 17.039 -2.803 1.00 0.00 C ATOM 0 H LEU A 22 24.995 19.678 0.231 1.00 0.00 H new ATOM 0 HA LEU A 22 23.567 19.356 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 22 23.747 17.687 0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.993 17.155 -1.198 1.00 0.00 H new ATOM 0 HG LEU A 22 25.893 17.973 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.423 15.524 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 22 25.505 16.013 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 22 24.682 15.170 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU A 22 26.158 16.652 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 22 24.407 16.333 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 22 25.008 17.997 -3.294 1.00 0.00 H new ATOM 347 N HIS A 23 22.027 20.459 0.357 1.00 0.00 N ATOM 348 CA HIS A 23 20.739 20.760 0.974 1.00 0.00 C ATOM 349 C HIS A 23 19.764 21.469 0.017 1.00 0.00 C ATOM 350 O HIS A 23 18.625 21.011 -0.044 1.00 0.00 O ATOM 351 CB HIS A 23 20.908 21.522 2.300 1.00 0.00 C ATOM 352 CG HIS A 23 21.595 20.757 3.413 1.00 0.00 C ATOM 353 ND1 HIS A 23 21.822 21.238 4.685 1.00 0.00 N ATOM 354 CD2 HIS A 23 22.095 19.479 3.378 1.00 0.00 C ATOM 355 CE1 HIS A 23 22.439 20.278 5.393 1.00 0.00 C ATOM 356 NE2 HIS A 23 22.631 19.183 4.636 1.00 0.00 N ATOM 0 H HIS A 23 22.823 20.906 0.813 1.00 0.00 H new ATOM 0 HA HIS A 23 20.279 19.800 1.208 1.00 0.00 H new ATOM 0 HB2 HIS A 23 21.475 22.432 2.105 1.00 0.00 H new ATOM 0 HB3 HIS A 23 19.922 21.829 2.650 1.00 0.00 H new ATOM 0 HD2 HIS A 23 22.078 18.816 2.526 1.00 0.00 H new ATOM 0 HE1 HIS A 23 22.739 20.372 6.426 1.00 0.00 H new ATOM 0 HE2 HIS A 23 23.078 18.312 4.922 1.00 0.00 H new ATOM 364 N PRO A 24 20.139 22.509 -0.766 1.00 0.00 N ATOM 365 CA PRO A 24 19.221 23.155 -1.709 1.00 0.00 C ATOM 366 C PRO A 24 18.582 22.174 -2.697 1.00 0.00 C ATOM 367 O PRO A 24 17.383 22.252 -2.977 1.00 0.00 O ATOM 368 CB PRO A 24 20.048 24.221 -2.439 1.00 0.00 C ATOM 369 CG PRO A 24 21.154 24.552 -1.442 1.00 0.00 C ATOM 370 CD PRO A 24 21.417 23.207 -0.770 1.00 0.00 C ATOM 0 HA PRO A 24 18.378 23.590 -1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 24 20.453 23.843 -3.378 1.00 0.00 H new ATOM 0 HB3 PRO A 24 19.449 25.099 -2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 24 22.045 24.937 -1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 24 20.838 25.308 -0.723 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.171 22.639 -1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 24 21.791 23.343 0.245 1.00 0.00 H new ATOM 378 N LEU A 25 19.365 21.229 -3.228 1.00 0.00 N ATOM 379 CA LEU A 25 18.855 20.186 -4.097 1.00 0.00 C ATOM 380 C LEU A 25 17.895 19.270 -3.339 1.00 0.00 C ATOM 381 O LEU A 25 16.843 18.915 -3.873 1.00 0.00 O ATOM 382 CB LEU A 25 20.051 19.422 -4.671 1.00 0.00 C ATOM 383 CG LEU A 25 19.676 18.349 -5.701 1.00 0.00 C ATOM 384 CD1 LEU A 25 18.852 18.904 -6.869 1.00 0.00 C ATOM 385 CD2 LEU A 25 20.987 17.783 -6.240 1.00 0.00 C ATOM 0 H LEU A 25 20.370 21.174 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 25 18.281 20.618 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.733 20.134 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 25 20.593 18.950 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 25 19.057 17.594 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.617 18.098 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.926 19.336 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.426 19.673 -7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.773 17.012 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 25 21.564 18.582 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 25 21.561 17.350 -5.420 1.00 0.00 H new ATOM 397 N PHE A 26 18.211 18.925 -2.088 1.00 0.00 N ATOM 398 CA PHE A 26 17.321 18.103 -1.284 1.00 0.00 C ATOM 399 C PHE A 26 16.018 18.817 -0.902 1.00 0.00 C ATOM 400 O PHE A 26 15.020 18.124 -0.707 1.00 0.00 O ATOM 401 CB PHE A 26 18.032 17.462 -0.079 1.00 0.00 C ATOM 402 CG PHE A 26 18.845 16.218 -0.424 1.00 0.00 C ATOM 403 CD1 PHE A 26 18.250 15.137 -1.115 1.00 0.00 C ATOM 404 CD2 PHE A 26 20.194 16.115 -0.028 1.00 0.00 C ATOM 405 CE1 PHE A 26 18.984 13.980 -1.413 1.00 0.00 C ATOM 406 CE2 PHE A 26 20.928 14.948 -0.309 1.00 0.00 C ATOM 407 CZ PHE A 26 20.324 13.880 -0.997 1.00 0.00 C ATOM 0 H PHE A 26 19.072 19.203 -1.618 1.00 0.00 H new ATOM 0 HA PHE A 26 17.019 17.277 -1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 26 18.693 18.201 0.374 1.00 0.00 H new ATOM 0 HB3 PHE A 26 17.286 17.199 0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 26 17.215 15.204 -1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 26 20.666 16.935 0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 26 18.523 13.170 -1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 26 21.959 14.872 0.005 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.889 12.984 -1.206 1.00 0.00 H new ATOM 417 N GLU A 27 15.962 20.156 -0.861 1.00 0.00 N ATOM 418 CA GLU A 27 14.690 20.870 -0.693 1.00 0.00 C ATOM 419 C GLU A 27 13.742 20.513 -1.844 1.00 0.00 C ATOM 420 O GLU A 27 12.568 20.218 -1.626 1.00 0.00 O ATOM 421 CB GLU A 27 14.860 22.404 -0.681 1.00 0.00 C ATOM 422 CG GLU A 27 15.805 22.999 0.367 1.00 0.00 C ATOM 423 CD GLU A 27 15.463 22.604 1.810 1.00 0.00 C ATOM 424 OE1 GLU A 27 14.329 22.869 2.271 1.00 0.00 O ATOM 425 OE2 GLU A 27 16.354 22.071 2.506 1.00 0.00 O ATOM 0 H GLU A 27 16.778 20.763 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 27 14.287 20.561 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.212 22.712 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.876 22.851 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 27 16.824 22.681 0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.785 24.086 0.284 1.00 0.00 H new ATOM 432 N GLN A 28 14.262 20.527 -3.075 1.00 0.00 N ATOM 433 CA GLN A 28 13.474 20.291 -4.280 1.00 0.00 C ATOM 434 C GLN A 28 13.065 18.819 -4.349 1.00 0.00 C ATOM 435 O GLN A 28 11.908 18.519 -4.634 1.00 0.00 O ATOM 436 CB GLN A 28 14.291 20.712 -5.513 1.00 0.00 C ATOM 437 CG GLN A 28 14.545 22.229 -5.544 1.00 0.00 C ATOM 438 CD GLN A 28 15.751 22.579 -6.412 1.00 0.00 C ATOM 439 OE1 GLN A 28 15.648 22.735 -7.626 1.00 0.00 O ATOM 440 NE2 GLN A 28 16.922 22.705 -5.806 1.00 0.00 N ATOM 0 H GLN A 28 15.249 20.704 -3.261 1.00 0.00 H new ATOM 0 HA GLN A 28 12.563 20.888 -4.256 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.245 20.184 -5.514 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.761 20.414 -6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 28 13.661 22.739 -5.926 1.00 0.00 H new ATOM 0 HG3 GLN A 28 14.709 22.592 -4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 28 16.991 22.572 -4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.755 22.935 -6.348 1.00 0.00 H new ATOM 449 N PHE A 29 13.991 17.912 -4.026 1.00 0.00 N ATOM 450 CA PHE A 29 13.724 16.480 -3.934 1.00 0.00 C ATOM 451 C PHE A 29 12.592 16.210 -2.931 1.00 0.00 C ATOM 452 O PHE A 29 11.641 15.507 -3.267 1.00 0.00 O ATOM 453 CB PHE A 29 15.040 15.798 -3.532 1.00 0.00 C ATOM 454 CG PHE A 29 14.977 14.357 -3.074 1.00 0.00 C ATOM 455 CD1 PHE A 29 14.713 14.074 -1.717 1.00 0.00 C ATOM 456 CD2 PHE A 29 15.265 13.303 -3.962 1.00 0.00 C ATOM 457 CE1 PHE A 29 14.715 12.748 -1.259 1.00 0.00 C ATOM 458 CE2 PHE A 29 15.251 11.978 -3.502 1.00 0.00 C ATOM 459 CZ PHE A 29 14.974 11.699 -2.154 1.00 0.00 C ATOM 0 H PHE A 29 14.959 18.158 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 29 13.385 16.075 -4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 29 15.718 15.849 -4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 29 15.490 16.385 -2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 29 14.509 14.881 -1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 29 15.496 13.514 -4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 29 14.517 12.535 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 29 15.454 11.169 -4.188 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.960 10.677 -1.806 1.00 0.00 H new ATOM 469 N GLU A 30 12.637 16.816 -1.738 1.00 0.00 N ATOM 470 CA GLU A 30 11.583 16.678 -0.738 1.00 0.00 C ATOM 471 C GLU A 30 10.252 17.160 -1.315 1.00 0.00 C ATOM 472 O GLU A 30 9.266 16.421 -1.318 1.00 0.00 O ATOM 473 CB GLU A 30 11.964 17.470 0.527 1.00 0.00 C ATOM 474 CG GLU A 30 10.761 17.731 1.448 1.00 0.00 C ATOM 475 CD GLU A 30 11.174 18.329 2.806 1.00 0.00 C ATOM 476 OE1 GLU A 30 11.709 19.460 2.846 1.00 0.00 O ATOM 477 OE2 GLU A 30 10.920 17.693 3.854 1.00 0.00 O ATOM 0 H GLU A 30 13.408 17.415 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 30 11.471 15.629 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.726 16.920 1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.406 18.422 0.235 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.069 18.411 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.226 16.796 1.614 1.00 0.00 H new ATOM 484 N LYS A 31 10.229 18.399 -1.812 1.00 0.00 N ATOM 485 CA LYS A 31 9.016 19.022 -2.325 1.00 0.00 C ATOM 486 C LYS A 31 8.407 18.157 -3.427 1.00 0.00 C ATOM 487 O LYS A 31 7.194 17.959 -3.437 1.00 0.00 O ATOM 488 CB LYS A 31 9.359 20.477 -2.708 1.00 0.00 C ATOM 489 CG LYS A 31 8.529 21.165 -3.803 1.00 0.00 C ATOM 490 CD LYS A 31 8.972 20.744 -5.214 1.00 0.00 C ATOM 491 CE LYS A 31 8.824 21.857 -6.261 1.00 0.00 C ATOM 492 NZ LYS A 31 7.422 22.310 -6.426 1.00 0.00 N ATOM 0 H LYS A 31 11.054 18.996 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 31 8.223 19.084 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.283 21.083 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.403 20.500 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.476 20.921 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.621 22.246 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.014 20.425 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.385 19.881 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.443 22.706 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.200 21.500 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.372 23.012 -7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.820 21.496 -6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.089 22.740 -5.539 1.00 0.00 H new ATOM 506 N PHE A 32 9.219 17.589 -4.319 1.00 0.00 N ATOM 507 CA PHE A 32 8.696 16.784 -5.405 1.00 0.00 C ATOM 508 C PHE A 32 8.234 15.402 -4.942 1.00 0.00 C ATOM 509 O PHE A 32 7.281 14.892 -5.530 1.00 0.00 O ATOM 510 CB PHE A 32 9.698 16.719 -6.564 1.00 0.00 C ATOM 511 CG PHE A 32 9.728 17.972 -7.429 1.00 0.00 C ATOM 512 CD1 PHE A 32 8.531 18.445 -8.004 1.00 0.00 C ATOM 513 CD2 PHE A 32 10.938 18.622 -7.737 1.00 0.00 C ATOM 514 CE1 PHE A 32 8.535 19.501 -8.924 1.00 0.00 C ATOM 515 CE2 PHE A 32 10.943 19.716 -8.624 1.00 0.00 C ATOM 516 CZ PHE A 32 9.747 20.144 -9.233 1.00 0.00 C ATOM 0 H PHE A 32 10.235 17.675 -4.305 1.00 0.00 H new ATOM 0 HA PHE A 32 7.798 17.277 -5.778 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.695 16.546 -6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.456 15.862 -7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.593 17.984 -7.730 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.862 18.282 -7.293 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.615 19.819 -9.392 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.869 20.229 -8.838 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.761 20.964 -9.936 1.00 0.00 H new ATOM 526 N TYR A 33 8.813 14.801 -3.896 1.00 0.00 N ATOM 527 CA TYR A 33 8.224 13.592 -3.321 1.00 0.00 C ATOM 528 C TYR A 33 6.849 13.944 -2.733 1.00 0.00 C ATOM 529 O TYR A 33 5.881 13.225 -2.979 1.00 0.00 O ATOM 530 CB TYR A 33 9.165 12.908 -2.300 1.00 0.00 C ATOM 531 CG TYR A 33 8.498 12.511 -0.989 1.00 0.00 C ATOM 532 CD1 TYR A 33 7.807 11.289 -0.881 1.00 0.00 C ATOM 533 CD2 TYR A 33 8.484 13.415 0.094 1.00 0.00 C ATOM 534 CE1 TYR A 33 7.089 10.981 0.289 1.00 0.00 C ATOM 535 CE2 TYR A 33 7.749 13.126 1.255 1.00 0.00 C ATOM 536 CZ TYR A 33 7.044 11.904 1.360 1.00 0.00 C ATOM 537 OH TYR A 33 6.339 11.608 2.488 1.00 0.00 O ATOM 0 H TYR A 33 9.667 15.124 -3.442 1.00 0.00 H new ATOM 0 HA TYR A 33 8.084 12.849 -4.106 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.592 12.017 -2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.994 13.582 -2.081 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.828 10.585 -1.700 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.043 14.337 0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.571 10.037 0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.722 13.837 2.068 1.00 0.00 H new ATOM 0 HH TYR A 33 6.414 12.349 3.124 1.00 0.00 H new ATOM 547 N GLU A 34 6.741 15.067 -2.013 1.00 0.00 N ATOM 548 CA GLU A 34 5.516 15.447 -1.319 1.00 0.00 C ATOM 549 C GLU A 34 4.387 15.740 -2.317 1.00 0.00 C ATOM 550 O GLU A 34 3.232 15.395 -2.069 1.00 0.00 O ATOM 551 CB GLU A 34 5.812 16.644 -0.399 1.00 0.00 C ATOM 552 CG GLU A 34 4.628 16.976 0.519 1.00 0.00 C ATOM 553 CD GLU A 34 4.978 18.099 1.512 1.00 0.00 C ATOM 554 OE1 GLU A 34 4.815 19.292 1.172 1.00 0.00 O ATOM 555 OE2 GLU A 34 5.393 17.801 2.655 1.00 0.00 O ATOM 0 H GLU A 34 7.504 15.735 -1.898 1.00 0.00 H new ATOM 0 HA GLU A 34 5.169 14.619 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.690 16.425 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.054 17.516 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.772 17.277 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.332 16.083 1.069 1.00 0.00 H new ATOM 562 N GLU A 35 4.714 16.322 -3.477 1.00 0.00 N ATOM 563 CA GLU A 35 3.760 16.575 -4.556 1.00 0.00 C ATOM 564 C GLU A 35 3.433 15.313 -5.376 1.00 0.00 C ATOM 565 O GLU A 35 2.648 15.395 -6.323 1.00 0.00 O ATOM 566 CB GLU A 35 4.284 17.703 -5.460 1.00 0.00 C ATOM 567 CG GLU A 35 4.222 19.063 -4.753 1.00 0.00 C ATOM 568 CD GLU A 35 4.569 20.216 -5.705 1.00 0.00 C ATOM 569 OE1 GLU A 35 5.675 20.217 -6.289 1.00 0.00 O ATOM 570 OE2 GLU A 35 3.746 21.148 -5.856 1.00 0.00 O ATOM 0 H GLU A 35 5.661 16.633 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 35 2.822 16.886 -4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.312 17.489 -5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.694 17.740 -6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.223 19.216 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.913 19.067 -3.910 1.00 0.00 H new ATOM 577 N LYS A 36 4.001 14.147 -5.031 1.00 0.00 N ATOM 578 CA LYS A 36 3.871 12.897 -5.790 1.00 0.00 C ATOM 579 C LYS A 36 4.360 13.085 -7.234 1.00 0.00 C ATOM 580 O LYS A 36 3.754 12.600 -8.191 1.00 0.00 O ATOM 581 CB LYS A 36 2.432 12.349 -5.657 1.00 0.00 C ATOM 582 CG LYS A 36 2.319 10.865 -6.030 1.00 0.00 C ATOM 583 CD LYS A 36 0.879 10.370 -5.840 1.00 0.00 C ATOM 584 CE LYS A 36 0.764 8.880 -6.187 1.00 0.00 C ATOM 585 NZ LYS A 36 -0.624 8.375 -6.036 1.00 0.00 N ATOM 0 H LYS A 36 4.577 14.047 -4.195 1.00 0.00 H new ATOM 0 HA LYS A 36 4.521 12.129 -5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.090 12.487 -4.631 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.767 12.930 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.626 10.720 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.997 10.276 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.567 10.533 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.205 10.948 -6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.097 8.721 -7.212 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.430 8.306 -5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.654 7.365 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.935 8.502 -5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.257 8.904 -6.670 1.00 0.00 H new ATOM 599 N LEU A 37 5.464 13.814 -7.408 1.00 0.00 N ATOM 600 CA LEU A 37 6.045 14.154 -8.700 1.00 0.00 C ATOM 601 C LEU A 37 7.311 13.360 -8.903 1.00 0.00 C ATOM 602 O LEU A 37 8.413 13.898 -8.974 1.00 0.00 O ATOM 603 CB LEU A 37 6.210 15.674 -8.847 1.00 0.00 C ATOM 604 CG LEU A 37 4.861 16.391 -9.039 1.00 0.00 C ATOM 605 CD1 LEU A 37 5.069 17.891 -9.259 1.00 0.00 C ATOM 606 CD2 LEU A 37 4.097 15.803 -10.227 1.00 0.00 C ATOM 0 H LEU A 37 5.993 14.195 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 37 5.370 13.871 -9.508 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.707 16.071 -7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.857 15.887 -9.698 1.00 0.00 H new ATOM 0 HG LEU A 37 4.276 16.242 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.102 18.377 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.574 18.319 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.679 18.047 -10.149 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.147 16.325 -10.343 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.689 15.920 -11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.909 14.744 -10.051 1.00 0.00 H new ATOM 618 N TRP A 38 7.089 12.052 -9.014 1.00 0.00 N ATOM 619 CA TRP A 38 8.128 11.035 -9.177 1.00 0.00 C ATOM 620 C TRP A 38 9.152 11.407 -10.255 1.00 0.00 C ATOM 621 O TRP A 38 10.342 11.174 -10.066 1.00 0.00 O ATOM 622 CB TRP A 38 7.512 9.672 -9.529 1.00 0.00 C ATOM 623 CG TRP A 38 6.342 9.177 -8.730 1.00 0.00 C ATOM 624 CD1 TRP A 38 5.202 8.691 -9.270 1.00 0.00 C ATOM 625 CD2 TRP A 38 6.183 9.024 -7.283 1.00 0.00 C ATOM 626 NE1 TRP A 38 4.359 8.247 -8.275 1.00 0.00 N ATOM 627 CE2 TRP A 38 4.932 8.384 -7.031 1.00 0.00 C ATOM 628 CE3 TRP A 38 6.971 9.335 -6.154 1.00 0.00 C ATOM 629 CZ2 TRP A 38 4.511 8.030 -5.741 1.00 0.00 C ATOM 630 CZ3 TRP A 38 6.544 9.019 -4.850 1.00 0.00 C ATOM 631 CH2 TRP A 38 5.322 8.356 -4.641 1.00 0.00 C ATOM 0 H TRP A 38 6.149 11.657 -8.992 1.00 0.00 H new ATOM 0 HA TRP A 38 8.645 10.976 -8.219 1.00 0.00 H new ATOM 0 HB2 TRP A 38 7.205 9.709 -10.574 1.00 0.00 H new ATOM 0 HB3 TRP A 38 8.302 8.924 -9.455 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.984 8.656 -10.327 1.00 0.00 H new ATOM 0 HE1 TRP A 38 3.428 7.865 -8.439 1.00 0.00 H new ATOM 0 HE3 TRP A 38 7.923 9.826 -6.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 3.574 7.513 -5.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 7.160 9.288 -4.004 1.00 0.00 H new ATOM 0 HH2 TRP A 38 5.008 8.099 -3.640 1.00 0.00 H new ATOM 642 N PHE A 39 8.707 11.987 -11.375 1.00 0.00 N ATOM 643 CA PHE A 39 9.593 12.310 -12.488 1.00 0.00 C ATOM 644 C PHE A 39 10.493 13.510 -12.169 1.00 0.00 C ATOM 645 O PHE A 39 11.654 13.541 -12.571 1.00 0.00 O ATOM 646 CB PHE A 39 8.760 12.577 -13.750 1.00 0.00 C ATOM 647 CG PHE A 39 7.775 11.473 -14.096 1.00 0.00 C ATOM 648 CD1 PHE A 39 8.242 10.200 -14.482 1.00 0.00 C ATOM 649 CD2 PHE A 39 6.387 11.709 -14.016 1.00 0.00 C ATOM 650 CE1 PHE A 39 7.329 9.177 -14.793 1.00 0.00 C ATOM 651 CE2 PHE A 39 5.475 10.682 -14.321 1.00 0.00 C ATOM 652 CZ PHE A 39 5.945 9.416 -14.711 1.00 0.00 C ATOM 0 H PHE A 39 7.732 12.242 -11.531 1.00 0.00 H new ATOM 0 HA PHE A 39 10.247 11.456 -12.661 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.211 13.509 -13.618 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.436 12.722 -14.593 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.304 10.010 -14.539 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.023 12.682 -13.720 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.691 8.205 -15.096 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.413 10.867 -14.255 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.245 8.628 -14.947 1.00 0.00 H new ATOM 662 N GLN A 40 9.980 14.538 -11.482 1.00 0.00 N ATOM 663 CA GLN A 40 10.783 15.713 -11.123 1.00 0.00 C ATOM 664 C GLN A 40 11.723 15.366 -9.966 1.00 0.00 C ATOM 665 O GLN A 40 12.889 15.765 -9.927 1.00 0.00 O ATOM 666 CB GLN A 40 9.854 16.882 -10.757 1.00 0.00 C ATOM 667 CG GLN A 40 8.782 17.240 -11.804 1.00 0.00 C ATOM 668 CD GLN A 40 9.362 17.543 -13.188 1.00 0.00 C ATOM 669 OE1 GLN A 40 9.422 18.688 -13.627 1.00 0.00 O ATOM 670 NE2 GLN A 40 9.797 16.515 -13.901 1.00 0.00 N ATOM 0 H GLN A 40 9.012 14.580 -11.164 1.00 0.00 H new ATOM 0 HA GLN A 40 11.393 16.016 -11.974 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.353 16.643 -9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.467 17.765 -10.575 1.00 0.00 H new ATOM 0 HG2 GLN A 40 8.076 16.414 -11.887 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.220 18.107 -11.456 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.740 15.570 -13.521 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.189 16.668 -14.830 1.00 0.00 H new ATOM 679 N LEU A 41 11.208 14.556 -9.050 1.00 0.00 N ATOM 680 CA LEU A 41 11.951 13.924 -7.983 1.00 0.00 C ATOM 681 C LEU A 41 13.143 13.138 -8.534 1.00 0.00 C ATOM 682 O LEU A 41 14.252 13.310 -8.028 1.00 0.00 O ATOM 683 CB LEU A 41 10.946 13.024 -7.262 1.00 0.00 C ATOM 684 CG LEU A 41 11.535 12.026 -6.255 1.00 0.00 C ATOM 685 CD1 LEU A 41 12.229 12.746 -5.106 1.00 0.00 C ATOM 686 CD2 LEU A 41 10.391 11.157 -5.730 1.00 0.00 C ATOM 0 H LEU A 41 10.217 14.315 -9.036 1.00 0.00 H new ATOM 0 HA LEU A 41 12.381 14.653 -7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.231 13.659 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.386 12.465 -8.012 1.00 0.00 H new ATOM 0 HG LEU A 41 12.287 11.409 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.636 12.013 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.038 13.362 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.510 13.380 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.782 10.437 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.648 11.789 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.927 10.625 -6.561 1.00 0.00 H new ATOM 698 N SER A 42 12.949 12.303 -9.561 1.00 0.00 N ATOM 699 CA SER A 42 14.030 11.481 -10.079 1.00 0.00 C ATOM 700 C SER A 42 15.081 12.328 -10.789 1.00 0.00 C ATOM 701 O SER A 42 16.263 12.032 -10.633 1.00 0.00 O ATOM 702 CB SER A 42 13.502 10.341 -10.958 1.00 0.00 C ATOM 703 OG SER A 42 12.738 10.803 -12.054 1.00 0.00 O ATOM 0 H SER A 42 12.057 12.184 -10.042 1.00 0.00 H new ATOM 0 HA SER A 42 14.526 11.011 -9.230 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.343 9.755 -11.329 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.891 9.673 -10.351 1.00 0.00 H new ATOM 0 HG SER A 42 12.615 11.773 -11.981 1.00 0.00 H new ATOM 709 N GLU A 43 14.726 13.401 -11.509 1.00 0.00 N ATOM 710 CA GLU A 43 15.763 14.262 -12.081 1.00 0.00 C ATOM 711 C GLU A 43 16.517 15.013 -10.982 1.00 0.00 C ATOM 712 O GLU A 43 17.730 15.174 -11.088 1.00 0.00 O ATOM 713 CB GLU A 43 15.259 15.201 -13.184 1.00 0.00 C ATOM 714 CG GLU A 43 14.278 16.294 -12.757 1.00 0.00 C ATOM 715 CD GLU A 43 14.038 17.309 -13.886 1.00 0.00 C ATOM 716 OE1 GLU A 43 13.204 17.054 -14.784 1.00 0.00 O ATOM 717 OE2 GLU A 43 14.691 18.378 -13.872 1.00 0.00 O ATOM 0 H GLU A 43 13.766 13.684 -11.703 1.00 0.00 H new ATOM 0 HA GLU A 43 16.465 13.597 -12.584 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.123 15.680 -13.645 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.781 14.596 -13.954 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.330 15.840 -12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.666 16.810 -11.879 1.00 0.00 H new ATOM 724 N SER A 44 15.844 15.415 -9.902 1.00 0.00 N ATOM 725 CA SER A 44 16.503 16.060 -8.765 1.00 0.00 C ATOM 726 C SER A 44 17.523 15.095 -8.141 1.00 0.00 C ATOM 727 O SER A 44 18.682 15.448 -7.915 1.00 0.00 O ATOM 728 CB SER A 44 15.454 16.526 -7.744 1.00 0.00 C ATOM 729 OG SER A 44 14.488 17.367 -8.351 1.00 0.00 O ATOM 0 H SER A 44 14.836 15.304 -9.791 1.00 0.00 H new ATOM 0 HA SER A 44 17.044 16.943 -9.104 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.961 15.659 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.946 17.060 -6.931 1.00 0.00 H new ATOM 0 HG SER A 44 13.843 16.820 -8.846 1.00 0.00 H new ATOM 735 N LEU A 45 17.111 13.842 -7.941 1.00 0.00 N ATOM 736 CA LEU A 45 17.988 12.785 -7.463 1.00 0.00 C ATOM 737 C LEU A 45 19.120 12.497 -8.458 1.00 0.00 C ATOM 738 O LEU A 45 20.250 12.240 -8.048 1.00 0.00 O ATOM 739 CB LEU A 45 17.149 11.533 -7.187 1.00 0.00 C ATOM 740 CG LEU A 45 17.954 10.365 -6.597 1.00 0.00 C ATOM 741 CD1 LEU A 45 18.702 10.745 -5.311 1.00 0.00 C ATOM 742 CD2 LEU A 45 16.979 9.222 -6.314 1.00 0.00 C ATOM 0 H LEU A 45 16.153 13.536 -8.109 1.00 0.00 H new ATOM 0 HA LEU A 45 18.467 13.107 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.344 11.791 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 45 16.682 11.207 -8.117 1.00 0.00 H new ATOM 0 HG LEU A 45 18.716 10.071 -7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 45 19.252 9.880 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.399 11.556 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.986 11.069 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 45 17.522 8.376 -5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.222 9.556 -5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.496 8.917 -7.242 1.00 0.00 H new ATOM 754 N THR A 46 18.857 12.580 -9.759 1.00 0.00 N ATOM 755 CA THR A 46 19.866 12.389 -10.794 1.00 0.00 C ATOM 756 C THR A 46 20.913 13.511 -10.746 1.00 0.00 C ATOM 757 O THR A 46 22.105 13.244 -10.895 1.00 0.00 O ATOM 758 CB THR A 46 19.177 12.268 -12.161 1.00 0.00 C ATOM 759 OG1 THR A 46 18.290 11.164 -12.134 1.00 0.00 O ATOM 760 CG2 THR A 46 20.167 12.054 -13.306 1.00 0.00 C ATOM 0 H THR A 46 17.928 12.784 -10.127 1.00 0.00 H new ATOM 0 HA THR A 46 20.410 11.461 -10.617 1.00 0.00 H new ATOM 0 HB THR A 46 18.652 13.206 -12.340 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.518 11.379 -11.570 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.623 11.976 -14.247 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.856 12.897 -13.354 1.00 0.00 H new ATOM 0 HG23 THR A 46 20.729 11.136 -13.134 1.00 0.00 H new ATOM 768 N LYS A 47 20.506 14.756 -10.479 1.00 0.00 N ATOM 769 CA LYS A 47 21.445 15.869 -10.320 1.00 0.00 C ATOM 770 C LYS A 47 22.365 15.618 -9.123 1.00 0.00 C ATOM 771 O LYS A 47 23.538 15.982 -9.186 1.00 0.00 O ATOM 772 CB LYS A 47 20.687 17.201 -10.192 1.00 0.00 C ATOM 773 CG LYS A 47 19.967 17.576 -11.501 1.00 0.00 C ATOM 774 CD LYS A 47 18.850 18.608 -11.284 1.00 0.00 C ATOM 775 CE LYS A 47 17.865 18.539 -12.459 1.00 0.00 C ATOM 776 NZ LYS A 47 16.702 19.445 -12.291 1.00 0.00 N ATOM 0 H LYS A 47 19.527 15.018 -10.368 1.00 0.00 H new ATOM 0 HA LYS A 47 22.071 15.937 -11.210 1.00 0.00 H new ATOM 0 HB2 LYS A 47 19.959 17.129 -9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.386 17.993 -9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.693 17.975 -12.210 1.00 0.00 H new ATOM 0 HG3 LYS A 47 19.544 16.677 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 47 18.331 18.408 -10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 47 19.273 19.609 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.388 18.794 -13.381 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.509 17.515 -12.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.999 19.248 -13.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.273 19.290 -11.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.018 20.433 -12.367 1.00 0.00 H new ATOM 790 N PHE A 48 21.875 14.967 -8.060 1.00 0.00 N ATOM 791 CA PHE A 48 22.730 14.547 -6.955 1.00 0.00 C ATOM 792 C PHE A 48 23.658 13.420 -7.420 1.00 0.00 C ATOM 793 O PHE A 48 24.863 13.504 -7.197 1.00 0.00 O ATOM 794 CB PHE A 48 21.891 14.132 -5.732 1.00 0.00 C ATOM 795 CG PHE A 48 22.675 13.550 -4.566 1.00 0.00 C ATOM 796 CD1 PHE A 48 23.951 14.042 -4.224 1.00 0.00 C ATOM 797 CD2 PHE A 48 22.120 12.500 -3.809 1.00 0.00 C ATOM 798 CE1 PHE A 48 24.667 13.481 -3.154 1.00 0.00 C ATOM 799 CE2 PHE A 48 22.839 11.935 -2.742 1.00 0.00 C ATOM 800 CZ PHE A 48 24.115 12.422 -2.417 1.00 0.00 C ATOM 0 H PHE A 48 20.891 14.722 -7.947 1.00 0.00 H new ATOM 0 HA PHE A 48 23.347 15.389 -6.642 1.00 0.00 H new ATOM 0 HB2 PHE A 48 21.341 15.004 -5.378 1.00 0.00 H new ATOM 0 HB3 PHE A 48 21.152 13.398 -6.053 1.00 0.00 H new ATOM 0 HD1 PHE A 48 24.381 14.856 -4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 48 21.136 12.127 -4.050 1.00 0.00 H new ATOM 0 HE1 PHE A 48 25.643 13.865 -2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 48 22.409 11.125 -2.171 1.00 0.00 H new ATOM 0 HZ PHE A 48 24.671 11.983 -1.602 1.00 0.00 H new ATOM 810 N PHE A 49 23.128 12.389 -8.087 1.00 0.00 N ATOM 811 CA PHE A 49 23.904 11.261 -8.606 1.00 0.00 C ATOM 812 C PHE A 49 25.065 11.704 -9.511 1.00 0.00 C ATOM 813 O PHE A 49 26.129 11.082 -9.492 1.00 0.00 O ATOM 814 CB PHE A 49 22.957 10.282 -9.315 1.00 0.00 C ATOM 815 CG PHE A 49 23.614 9.324 -10.289 1.00 0.00 C ATOM 816 CD1 PHE A 49 24.191 8.122 -9.839 1.00 0.00 C ATOM 817 CD2 PHE A 49 23.669 9.655 -11.659 1.00 0.00 C ATOM 818 CE1 PHE A 49 24.827 7.264 -10.754 1.00 0.00 C ATOM 819 CE2 PHE A 49 24.306 8.796 -12.571 1.00 0.00 C ATOM 820 CZ PHE A 49 24.889 7.601 -12.118 1.00 0.00 C ATOM 0 H PHE A 49 22.130 12.315 -8.284 1.00 0.00 H new ATOM 0 HA PHE A 49 24.377 10.753 -7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.433 9.699 -8.558 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.204 10.858 -9.852 1.00 0.00 H new ATOM 0 HD1 PHE A 49 24.145 7.859 -8.793 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.220 10.573 -12.009 1.00 0.00 H new ATOM 0 HE1 PHE A 49 25.270 6.342 -10.408 1.00 0.00 H new ATOM 0 HE2 PHE A 49 24.347 9.054 -13.619 1.00 0.00 H new ATOM 0 HZ PHE A 49 25.384 6.942 -12.816 1.00 0.00 H new ATOM 830 N ASP A 50 24.886 12.788 -10.271 1.00 0.00 N ATOM 831 CA ASP A 50 25.912 13.355 -11.149 1.00 0.00 C ATOM 832 C ASP A 50 27.130 13.907 -10.382 1.00 0.00 C ATOM 833 O ASP A 50 28.150 14.226 -10.994 1.00 0.00 O ATOM 834 CB ASP A 50 25.274 14.449 -12.018 1.00 0.00 C ATOM 835 CG ASP A 50 26.250 15.012 -13.066 1.00 0.00 C ATOM 836 OD1 ASP A 50 26.674 14.260 -13.973 1.00 0.00 O ATOM 837 OD2 ASP A 50 26.551 16.227 -13.029 1.00 0.00 O ATOM 0 H ASP A 50 24.007 13.305 -10.293 1.00 0.00 H new ATOM 0 HA ASP A 50 26.296 12.550 -11.775 1.00 0.00 H new ATOM 0 HB2 ASP A 50 24.398 14.042 -12.523 1.00 0.00 H new ATOM 0 HB3 ASP A 50 24.925 15.260 -11.378 1.00 0.00 H new ATOM 842 N ASP A 51 27.062 13.999 -9.049 1.00 0.00 N ATOM 843 CA ASP A 51 28.092 14.570 -8.185 1.00 0.00 C ATOM 844 C ASP A 51 28.548 13.503 -7.182 1.00 0.00 C ATOM 845 O ASP A 51 27.730 12.823 -6.554 1.00 0.00 O ATOM 846 CB ASP A 51 27.522 15.819 -7.489 1.00 0.00 C ATOM 847 CG ASP A 51 28.548 16.600 -6.654 1.00 0.00 C ATOM 848 OD1 ASP A 51 29.695 16.139 -6.473 1.00 0.00 O ATOM 849 OD2 ASP A 51 28.191 17.684 -6.139 1.00 0.00 O ATOM 0 H ASP A 51 26.254 13.663 -8.525 1.00 0.00 H new ATOM 0 HA ASP A 51 28.964 14.878 -8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 51 27.105 16.484 -8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.699 15.516 -6.842 1.00 0.00 H new ATOM 854 N ALA A 52 29.865 13.332 -7.038 1.00 0.00 N ATOM 855 CA ALA A 52 30.484 12.374 -6.124 1.00 0.00 C ATOM 856 C ALA A 52 30.453 12.831 -4.651 1.00 0.00 C ATOM 857 O ALA A 52 30.993 12.140 -3.786 1.00 0.00 O ATOM 858 CB ALA A 52 31.927 12.118 -6.578 1.00 0.00 C ATOM 0 H ALA A 52 30.547 13.872 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 52 29.901 11.454 -6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 52 32.400 11.404 -5.903 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.924 11.713 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 52 32.484 13.055 -6.564 1.00 0.00 H new ATOM 864 N LYS A 53 29.866 14.002 -4.366 1.00 0.00 N ATOM 865 CA LYS A 53 29.845 14.680 -3.065 1.00 0.00 C ATOM 866 C LYS A 53 29.662 13.748 -1.866 1.00 0.00 C ATOM 867 O LYS A 53 30.425 13.843 -0.902 1.00 0.00 O ATOM 868 CB LYS A 53 28.735 15.735 -3.097 1.00 0.00 C ATOM 869 CG LYS A 53 28.845 16.847 -2.045 1.00 0.00 C ATOM 870 CD LYS A 53 30.152 17.659 -2.057 1.00 0.00 C ATOM 871 CE LYS A 53 30.699 18.082 -3.437 1.00 0.00 C ATOM 872 NZ LYS A 53 29.775 18.935 -4.228 1.00 0.00 N ATOM 0 H LYS A 53 29.365 14.531 -5.080 1.00 0.00 H new ATOM 0 HA LYS A 53 30.826 15.132 -2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 53 28.724 16.195 -4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.777 15.232 -2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.011 17.535 -2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.727 16.399 -1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.997 18.560 -1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 53 30.920 17.073 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 53 31.637 18.619 -3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 53 30.930 17.186 -4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.323 19.649 -4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 29.247 18.343 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.108 19.411 -3.588 1.00 0.00 H new ATOM 886 N SER A 54 28.672 12.857 -1.944 1.00 0.00 N ATOM 887 CA SER A 54 28.206 12.043 -0.831 1.00 0.00 C ATOM 888 C SER A 54 27.637 10.718 -1.367 1.00 0.00 C ATOM 889 O SER A 54 26.550 10.300 -0.974 1.00 0.00 O ATOM 890 CB SER A 54 27.176 12.879 -0.045 1.00 0.00 C ATOM 891 OG SER A 54 27.769 13.995 0.605 1.00 0.00 O ATOM 0 H SER A 54 28.161 12.680 -2.809 1.00 0.00 H new ATOM 0 HA SER A 54 29.014 11.773 -0.152 1.00 0.00 H new ATOM 0 HB2 SER A 54 26.400 13.228 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 54 26.688 12.246 0.697 1.00 0.00 H new ATOM 0 HG SER A 54 27.490 14.013 1.544 1.00 0.00 H new ATOM 897 N THR A 55 28.332 10.086 -2.321 1.00 0.00 N ATOM 898 CA THR A 55 27.846 8.940 -3.090 1.00 0.00 C ATOM 899 C THR A 55 27.106 7.857 -2.275 1.00 0.00 C ATOM 900 O THR A 55 25.970 7.560 -2.646 1.00 0.00 O ATOM 901 CB THR A 55 28.991 8.414 -3.976 1.00 0.00 C ATOM 902 OG1 THR A 55 29.450 9.482 -4.777 1.00 0.00 O ATOM 903 CG2 THR A 55 28.575 7.261 -4.890 1.00 0.00 C ATOM 0 H THR A 55 29.276 10.369 -2.585 1.00 0.00 H new ATOM 0 HA THR A 55 27.041 9.291 -3.736 1.00 0.00 H new ATOM 0 HB THR A 55 29.766 8.028 -3.314 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.182 9.171 -5.349 1.00 0.00 H new ATOM 0 HG21 THR A 55 29.431 6.941 -5.485 1.00 0.00 H new ATOM 0 HG22 THR A 55 28.221 6.426 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.776 7.592 -5.553 1.00 0.00 H new ATOM 911 N PRO A 56 27.639 7.303 -1.165 1.00 0.00 N ATOM 912 CA PRO A 56 26.951 6.312 -0.337 1.00 0.00 C ATOM 913 C PRO A 56 25.524 6.658 0.102 1.00 0.00 C ATOM 914 O PRO A 56 24.758 5.743 0.401 1.00 0.00 O ATOM 915 CB PRO A 56 27.842 6.107 0.889 1.00 0.00 C ATOM 916 CG PRO A 56 29.241 6.347 0.337 1.00 0.00 C ATOM 917 CD PRO A 56 29.023 7.419 -0.730 1.00 0.00 C ATOM 0 HA PRO A 56 26.810 5.418 -0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 56 27.597 6.807 1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 56 27.737 5.103 1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 56 29.926 6.687 1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 56 29.666 5.438 -0.088 1.00 0.00 H new ATOM 0 HD2 PRO A 56 29.219 8.412 -0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 56 29.705 7.275 -1.568 1.00 0.00 H new ATOM 925 N LEU A 57 25.125 7.936 0.139 1.00 0.00 N ATOM 926 CA LEU A 57 23.744 8.295 0.467 1.00 0.00 C ATOM 927 C LEU A 57 22.763 7.678 -0.533 1.00 0.00 C ATOM 928 O LEU A 57 21.656 7.305 -0.144 1.00 0.00 O ATOM 929 CB LEU A 57 23.550 9.817 0.486 1.00 0.00 C ATOM 930 CG LEU A 57 24.351 10.598 1.539 1.00 0.00 C ATOM 931 CD1 LEU A 57 23.845 12.036 1.607 1.00 0.00 C ATOM 932 CD2 LEU A 57 24.281 10.040 2.958 1.00 0.00 C ATOM 0 H LEU A 57 25.735 8.731 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 57 23.542 7.900 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 57 23.810 10.206 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 57 22.491 10.024 0.641 1.00 0.00 H new ATOM 0 HG LEU A 57 25.386 10.519 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.415 12.587 2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 57 23.968 12.511 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 57 22.790 12.038 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 57 24.879 10.662 3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 57 23.245 10.037 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 57 24.669 9.021 2.968 1.00 0.00 H new ATOM 944 N ARG A 58 23.163 7.520 -1.804 1.00 0.00 N ATOM 945 CA ARG A 58 22.319 6.885 -2.813 1.00 0.00 C ATOM 946 C ARG A 58 21.988 5.433 -2.445 1.00 0.00 C ATOM 947 O ARG A 58 20.969 4.934 -2.918 1.00 0.00 O ATOM 948 CB ARG A 58 22.948 6.975 -4.221 1.00 0.00 C ATOM 949 CG ARG A 58 22.654 8.285 -4.974 1.00 0.00 C ATOM 950 CD ARG A 58 23.654 9.410 -4.683 1.00 0.00 C ATOM 951 NE ARG A 58 24.928 9.238 -5.412 1.00 0.00 N ATOM 952 CZ ARG A 58 25.765 10.236 -5.733 1.00 0.00 C ATOM 953 NH1 ARG A 58 25.572 11.462 -5.274 1.00 0.00 N ATOM 954 NH2 ARG A 58 26.800 10.037 -6.533 1.00 0.00 N ATOM 0 H ARG A 58 24.071 7.827 -2.153 1.00 0.00 H new ATOM 0 HA ARG A 58 21.380 7.438 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 58 24.028 6.859 -4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 58 22.587 6.139 -4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 58 22.651 8.083 -6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 58 21.653 8.626 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 58 23.209 10.367 -4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 58 23.854 9.446 -3.612 1.00 0.00 H new ATOM 0 HE ARG A 58 25.190 8.292 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 58 24.777 11.660 -4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 58 26.218 12.209 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 58 26.975 9.109 -6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 58 27.423 10.811 -6.763 1.00 0.00 H new ATOM 968 N LEU A 59 22.764 4.766 -1.582 1.00 0.00 N ATOM 969 CA LEU A 59 22.480 3.394 -1.162 1.00 0.00 C ATOM 970 C LEU A 59 21.226 3.381 -0.286 1.00 0.00 C ATOM 971 O LEU A 59 20.299 2.622 -0.563 1.00 0.00 O ATOM 972 CB LEU A 59 23.696 2.792 -0.423 1.00 0.00 C ATOM 973 CG LEU A 59 24.062 1.372 -0.895 1.00 0.00 C ATOM 974 CD1 LEU A 59 25.434 0.983 -0.330 1.00 0.00 C ATOM 975 CD2 LEU A 59 23.019 0.325 -0.497 1.00 0.00 C ATOM 0 H LEU A 59 23.603 5.163 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 59 22.295 2.774 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 59 24.557 3.446 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 59 23.486 2.768 0.646 1.00 0.00 H new ATOM 0 HG LEU A 59 24.091 1.391 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 59 25.693 -0.022 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 59 26.186 1.688 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 59 25.399 1.006 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 59 23.332 -0.655 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 59 22.925 0.300 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 59 22.057 0.584 -0.939 1.00 0.00 H new ATOM 987 N ARG A 60 21.152 4.265 0.721 1.00 0.00 N ATOM 988 CA ARG A 60 19.949 4.408 1.553 1.00 0.00 C ATOM 989 C ARG A 60 18.765 4.844 0.694 1.00 0.00 C ATOM 990 O ARG A 60 17.645 4.372 0.888 1.00 0.00 O ATOM 991 CB ARG A 60 20.145 5.447 2.672 1.00 0.00 C ATOM 992 CG ARG A 60 21.190 5.065 3.732 1.00 0.00 C ATOM 993 CD ARG A 60 21.180 6.118 4.850 1.00 0.00 C ATOM 994 NE ARG A 60 22.116 5.784 5.941 1.00 0.00 N ATOM 995 CZ ARG A 60 23.256 6.424 6.240 1.00 0.00 C ATOM 996 NH1 ARG A 60 23.761 7.364 5.451 1.00 0.00 N ATOM 997 NH2 ARG A 60 23.924 6.145 7.351 1.00 0.00 N ATOM 0 H ARG A 60 21.914 4.893 0.979 1.00 0.00 H new ATOM 0 HA ARG A 60 19.757 3.435 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 60 20.436 6.395 2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 60 19.188 5.611 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 60 20.967 4.080 4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 60 22.180 5.006 3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 60 21.443 7.090 4.433 1.00 0.00 H new ATOM 0 HD3 ARG A 60 20.171 6.207 5.254 1.00 0.00 H new ATOM 0 HE ARG A 60 21.871 4.986 6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 60 23.280 7.619 4.588 1.00 0.00 H new ATOM 0 HH12 ARG A 60 24.630 7.832 5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 60 23.572 5.434 7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 60 24.790 6.641 7.564 1.00 0.00 H new ATOM 1011 N LEU A 61 19.020 5.751 -0.250 1.00 0.00 N ATOM 1012 CA LEU A 61 18.004 6.302 -1.134 1.00 0.00 C ATOM 1013 C LEU A 61 17.370 5.186 -1.972 1.00 0.00 C ATOM 1014 O LEU A 61 16.145 5.090 -2.064 1.00 0.00 O ATOM 1015 CB LEU A 61 18.665 7.393 -2.004 1.00 0.00 C ATOM 1016 CG LEU A 61 17.822 8.650 -2.253 1.00 0.00 C ATOM 1017 CD1 LEU A 61 16.528 8.316 -2.975 1.00 0.00 C ATOM 1018 CD2 LEU A 61 17.531 9.411 -0.963 1.00 0.00 C ATOM 0 H LEU A 61 19.953 6.126 -0.421 1.00 0.00 H new ATOM 0 HA LEU A 61 17.194 6.757 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.599 7.693 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 61 18.924 6.955 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 61 18.416 9.301 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.955 9.229 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.756 7.857 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.943 7.622 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.932 10.293 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.983 8.766 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.470 9.718 -0.502 1.00 0.00 H new ATOM 1030 N TYR A 62 18.196 4.304 -2.537 1.00 0.00 N ATOM 1031 CA TYR A 62 17.737 3.132 -3.265 1.00 0.00 C ATOM 1032 C TYR A 62 17.010 2.145 -2.342 1.00 0.00 C ATOM 1033 O TYR A 62 15.970 1.624 -2.736 1.00 0.00 O ATOM 1034 CB TYR A 62 18.941 2.449 -3.945 1.00 0.00 C ATOM 1035 CG TYR A 62 18.739 0.966 -4.204 1.00 0.00 C ATOM 1036 CD1 TYR A 62 18.010 0.528 -5.326 1.00 0.00 C ATOM 1037 CD2 TYR A 62 19.195 0.031 -3.253 1.00 0.00 C ATOM 1038 CE1 TYR A 62 17.724 -0.841 -5.487 1.00 0.00 C ATOM 1039 CE2 TYR A 62 18.915 -1.336 -3.409 1.00 0.00 C ATOM 1040 CZ TYR A 62 18.174 -1.780 -4.528 1.00 0.00 C ATOM 1041 OH TYR A 62 17.917 -3.107 -4.702 1.00 0.00 O ATOM 0 H TYR A 62 19.212 4.389 -2.499 1.00 0.00 H new ATOM 0 HA TYR A 62 17.023 3.453 -4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 62 19.143 2.949 -4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 62 19.823 2.582 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.671 1.241 -6.062 1.00 0.00 H new ATOM 0 HD2 TYR A 62 19.763 0.368 -2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.160 -1.176 -6.345 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.265 -2.047 -2.675 1.00 0.00 H new ATOM 0 HH TYR A 62 16.961 -3.235 -4.878 1.00 0.00 H new ATOM 1051 N ASP A 63 17.538 1.902 -1.135 1.00 0.00 N ATOM 1052 CA ASP A 63 17.093 0.817 -0.254 1.00 0.00 C ATOM 1053 C ASP A 63 15.595 0.780 0.035 1.00 0.00 C ATOM 1054 O ASP A 63 15.020 -0.311 0.075 1.00 0.00 O ATOM 1055 CB ASP A 63 17.852 0.863 1.078 1.00 0.00 C ATOM 1056 CG ASP A 63 17.460 -0.321 1.978 1.00 0.00 C ATOM 1057 OD1 ASP A 63 17.866 -1.468 1.687 1.00 0.00 O ATOM 1058 OD2 ASP A 63 16.779 -0.105 3.005 1.00 0.00 O ATOM 0 H ASP A 63 18.295 2.460 -0.740 1.00 0.00 H new ATOM 0 HA ASP A 63 17.317 -0.092 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 63 18.925 0.841 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.637 1.801 1.591 1.00 0.00 H new ATOM 1063 N ASN A 64 14.963 1.940 0.250 1.00 0.00 N ATOM 1064 CA ASN A 64 13.555 1.981 0.648 1.00 0.00 C ATOM 1065 C ASN A 64 12.801 3.198 0.119 1.00 0.00 C ATOM 1066 O ASN A 64 11.611 3.075 -0.168 1.00 0.00 O ATOM 1067 CB ASN A 64 13.470 1.932 2.178 1.00 0.00 C ATOM 1068 CG ASN A 64 12.022 1.974 2.648 1.00 0.00 C ATOM 1069 OD1 ASN A 64 11.239 1.068 2.377 1.00 0.00 O ATOM 1070 ND2 ASN A 64 11.645 3.027 3.350 1.00 0.00 N ATOM 0 H ASN A 64 15.402 2.856 0.155 1.00 0.00 H new ATOM 0 HA ASN A 64 13.070 1.113 0.201 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.948 1.023 2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.018 2.773 2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.683 3.102 3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.316 3.766 3.561 1.00 0.00 H new ATOM 1077 N PHE A 65 13.454 4.358 -0.029 1.00 0.00 N ATOM 1078 CA PHE A 65 12.778 5.568 -0.493 1.00 0.00 C ATOM 1079 C PHE A 65 12.330 5.362 -1.946 1.00 0.00 C ATOM 1080 O PHE A 65 11.134 5.420 -2.234 1.00 0.00 O ATOM 1081 CB PHE A 65 13.710 6.780 -0.302 1.00 0.00 C ATOM 1082 CG PHE A 65 13.121 8.156 -0.580 1.00 0.00 C ATOM 1083 CD1 PHE A 65 12.776 8.539 -1.890 1.00 0.00 C ATOM 1084 CD2 PHE A 65 12.981 9.092 0.464 1.00 0.00 C ATOM 1085 CE1 PHE A 65 12.246 9.817 -2.139 1.00 0.00 C ATOM 1086 CE2 PHE A 65 12.486 10.383 0.205 1.00 0.00 C ATOM 1087 CZ PHE A 65 12.092 10.738 -1.092 1.00 0.00 C ATOM 0 H PHE A 65 14.448 4.480 0.166 1.00 0.00 H new ATOM 0 HA PHE A 65 11.881 5.771 0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 65 14.074 6.769 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.577 6.646 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 65 12.919 7.848 -2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.256 8.816 1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.956 10.091 -3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.409 11.102 1.007 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.672 11.714 -1.284 1.00 0.00 H new ATOM 1097 N VAL A 66 13.265 5.060 -2.856 1.00 0.00 N ATOM 1098 CA VAL A 66 12.951 4.845 -4.272 1.00 0.00 C ATOM 1099 C VAL A 66 12.106 3.579 -4.459 1.00 0.00 C ATOM 1100 O VAL A 66 11.290 3.532 -5.380 1.00 0.00 O ATOM 1101 CB VAL A 66 14.255 4.890 -5.102 1.00 0.00 C ATOM 1102 CG1 VAL A 66 14.146 4.377 -6.545 1.00 0.00 C ATOM 1103 CG2 VAL A 66 14.748 6.345 -5.180 1.00 0.00 C ATOM 0 H VAL A 66 14.255 4.959 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 66 12.323 5.651 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 66 14.938 4.220 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.118 4.454 -7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.826 3.335 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.417 4.977 -7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.668 6.387 -5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.987 6.962 -5.658 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.939 6.719 -4.174 1.00 0.00 H new ATOM 1113 N SER A 67 12.208 2.587 -3.567 1.00 0.00 N ATOM 1114 CA SER A 67 11.409 1.369 -3.632 1.00 0.00 C ATOM 1115 C SER A 67 9.900 1.643 -3.643 1.00 0.00 C ATOM 1116 O SER A 67 9.151 0.882 -4.257 1.00 0.00 O ATOM 1117 CB SER A 67 11.777 0.445 -2.466 1.00 0.00 C ATOM 1118 OG SER A 67 13.182 0.355 -2.345 1.00 0.00 O ATOM 0 H SER A 67 12.853 2.612 -2.777 1.00 0.00 H new ATOM 0 HA SER A 67 11.641 0.881 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.348 0.826 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.354 -0.546 -2.629 1.00 0.00 H new ATOM 0 HG SER A 67 13.409 -0.248 -1.607 1.00 0.00 H new ATOM 1124 N LYS A 68 9.429 2.735 -3.020 1.00 0.00 N ATOM 1125 CA LYS A 68 7.997 3.057 -3.003 1.00 0.00 C ATOM 1126 C LYS A 68 7.465 3.435 -4.391 1.00 0.00 C ATOM 1127 O LYS A 68 6.251 3.419 -4.598 1.00 0.00 O ATOM 1128 CB LYS A 68 7.690 4.184 -2.005 1.00 0.00 C ATOM 1129 CG LYS A 68 8.236 3.993 -0.583 1.00 0.00 C ATOM 1130 CD LYS A 68 8.039 2.595 0.028 1.00 0.00 C ATOM 1131 CE LYS A 68 8.389 2.716 1.514 1.00 0.00 C ATOM 1132 NZ LYS A 68 8.457 1.440 2.256 1.00 0.00 N ATOM 0 H LYS A 68 10.017 3.405 -2.525 1.00 0.00 H new ATOM 0 HA LYS A 68 7.485 2.149 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.092 5.115 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.608 4.303 -1.944 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.302 4.219 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.760 4.725 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.011 2.256 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.680 1.863 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.351 3.220 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.648 3.356 1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.096 1.580 3.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.879 0.725 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.444 1.116 2.299 1.00 0.00 H new ATOM 1146 N PHE A 69 8.348 3.760 -5.338 1.00 0.00 N ATOM 1147 CA PHE A 69 8.027 4.134 -6.710 1.00 0.00 C ATOM 1148 C PHE A 69 8.984 3.401 -7.666 1.00 0.00 C ATOM 1149 O PHE A 69 9.371 3.934 -8.705 1.00 0.00 O ATOM 1150 CB PHE A 69 8.002 5.673 -6.836 1.00 0.00 C ATOM 1151 CG PHE A 69 9.189 6.436 -6.269 1.00 0.00 C ATOM 1152 CD1 PHE A 69 9.168 6.865 -4.928 1.00 0.00 C ATOM 1153 CD2 PHE A 69 10.284 6.777 -7.087 1.00 0.00 C ATOM 1154 CE1 PHE A 69 10.233 7.612 -4.404 1.00 0.00 C ATOM 1155 CE2 PHE A 69 11.350 7.529 -6.563 1.00 0.00 C ATOM 1156 CZ PHE A 69 11.326 7.943 -5.220 1.00 0.00 C ATOM 0 H PHE A 69 9.352 3.769 -5.157 1.00 0.00 H new ATOM 0 HA PHE A 69 7.026 3.815 -6.999 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.913 5.924 -7.893 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.100 6.038 -6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.326 6.617 -4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.305 6.460 -8.119 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.212 7.932 -3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.188 7.789 -7.193 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.148 8.515 -4.816 1.00 0.00 H new ATOM 1166 N TYR A 70 9.333 2.155 -7.302 1.00 0.00 N ATOM 1167 CA TYR A 70 10.372 1.301 -7.887 1.00 0.00 C ATOM 1168 C TYR A 70 10.423 1.325 -9.418 1.00 0.00 C ATOM 1169 O TYR A 70 11.507 1.371 -9.998 1.00 0.00 O ATOM 1170 CB TYR A 70 10.152 -0.152 -7.405 1.00 0.00 C ATOM 1171 CG TYR A 70 11.352 -0.849 -6.789 1.00 0.00 C ATOM 1172 CD1 TYR A 70 12.614 -0.801 -7.414 1.00 0.00 C ATOM 1173 CD2 TYR A 70 11.192 -1.593 -5.603 1.00 0.00 C ATOM 1174 CE1 TYR A 70 13.710 -1.478 -6.851 1.00 0.00 C ATOM 1175 CE2 TYR A 70 12.283 -2.273 -5.034 1.00 0.00 C ATOM 1176 CZ TYR A 70 13.550 -2.217 -5.658 1.00 0.00 C ATOM 1177 OH TYR A 70 14.615 -2.884 -5.132 1.00 0.00 O ATOM 0 H TYR A 70 8.857 1.686 -6.531 1.00 0.00 H new ATOM 0 HA TYR A 70 11.328 1.701 -7.549 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.345 -0.150 -6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 70 9.811 -0.745 -8.253 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.740 -0.242 -8.329 1.00 0.00 H new ATOM 0 HD2 TYR A 70 10.224 -1.641 -5.127 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.676 -1.433 -7.332 1.00 0.00 H new ATOM 0 HE2 TYR A 70 12.153 -2.837 -4.122 1.00 0.00 H new ATOM 0 HH TYR A 70 14.341 -3.342 -4.310 1.00 0.00 H new ATOM 1187 N ASP A 71 9.255 1.280 -10.064 1.00 0.00 N ATOM 1188 CA ASP A 71 9.115 1.122 -11.515 1.00 0.00 C ATOM 1189 C ASP A 71 8.248 2.244 -12.110 1.00 0.00 C ATOM 1190 O ASP A 71 7.897 2.221 -13.289 1.00 0.00 O ATOM 1191 CB ASP A 71 8.553 -0.279 -11.796 1.00 0.00 C ATOM 1192 CG ASP A 71 8.544 -0.632 -13.289 1.00 0.00 C ATOM 1193 OD1 ASP A 71 9.625 -0.686 -13.915 1.00 0.00 O ATOM 1194 OD2 ASP A 71 7.455 -0.940 -13.820 1.00 0.00 O ATOM 0 H ASP A 71 8.359 1.354 -9.582 1.00 0.00 H new ATOM 0 HA ASP A 71 10.086 1.209 -12.003 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.147 -1.018 -11.257 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.537 -0.342 -11.407 1.00 0.00 H new ATOM 1199 N LYS A 72 7.916 3.264 -11.302 1.00 0.00 N ATOM 1200 CA LYS A 72 7.267 4.489 -11.782 1.00 0.00 C ATOM 1201 C LYS A 72 8.256 5.351 -12.572 1.00 0.00 C ATOM 1202 O LYS A 72 7.830 6.255 -13.288 1.00 0.00 O ATOM 1203 CB LYS A 72 6.716 5.313 -10.603 1.00 0.00 C ATOM 1204 CG LYS A 72 5.759 4.559 -9.658 1.00 0.00 C ATOM 1205 CD LYS A 72 4.470 4.040 -10.314 1.00 0.00 C ATOM 1206 CE LYS A 72 3.568 5.190 -10.787 1.00 0.00 C ATOM 1207 NZ LYS A 72 2.304 4.698 -11.395 1.00 0.00 N ATOM 0 H LYS A 72 8.091 3.260 -10.297 1.00 0.00 H new ATOM 0 HA LYS A 72 6.444 4.193 -12.432 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.557 5.686 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.194 6.183 -11.002 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.293 3.714 -9.224 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.489 5.221 -8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.724 3.405 -11.163 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.925 3.419 -9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.335 5.838 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.107 5.797 -11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.727 5.508 -11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.524 4.101 -12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.775 4.141 -10.694 1.00 0.00 H new ATOM 1221 N ILE A 73 9.557 5.084 -12.441 1.00 0.00 N ATOM 1222 CA ILE A 73 10.643 5.821 -13.065 1.00 0.00 C ATOM 1223 C ILE A 73 11.611 4.833 -13.717 1.00 0.00 C ATOM 1224 O ILE A 73 11.483 3.616 -13.552 1.00 0.00 O ATOM 1225 CB ILE A 73 11.346 6.739 -12.035 1.00 0.00 C ATOM 1226 CG1 ILE A 73 11.922 5.953 -10.834 1.00 0.00 C ATOM 1227 CG2 ILE A 73 10.372 7.841 -11.586 1.00 0.00 C ATOM 1228 CD1 ILE A 73 12.914 6.772 -10.000 1.00 0.00 C ATOM 0 H ILE A 73 9.891 4.309 -11.868 1.00 0.00 H new ATOM 0 HA ILE A 73 10.247 6.474 -13.843 1.00 0.00 H new ATOM 0 HB ILE A 73 12.206 7.201 -12.520 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.102 5.626 -10.195 1.00 0.00 H new ATOM 0 HG13 ILE A 73 12.419 5.055 -11.200 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.865 8.489 -10.861 1.00 0.00 H new ATOM 0 HG22 ILE A 73 10.066 8.431 -12.450 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.494 7.386 -11.128 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.282 6.165 -9.173 1.00 0.00 H new ATOM 0 HD12 ILE A 73 13.752 7.077 -10.627 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.414 7.657 -9.606 1.00 0.00 H new ATOM 1240 N ASN A 74 12.564 5.382 -14.471 1.00 0.00 N ATOM 1241 CA ASN A 74 13.526 4.617 -15.251 1.00 0.00 C ATOM 1242 C ASN A 74 14.270 3.595 -14.384 1.00 0.00 C ATOM 1243 O ASN A 74 14.950 3.958 -13.417 1.00 0.00 O ATOM 1244 CB ASN A 74 14.507 5.568 -15.945 1.00 0.00 C ATOM 1245 CG ASN A 74 15.668 4.831 -16.608 1.00 0.00 C ATOM 1246 OD1 ASN A 74 15.511 3.747 -17.160 1.00 0.00 O ATOM 1247 ND2 ASN A 74 16.866 5.378 -16.530 1.00 0.00 N ATOM 0 H ASN A 74 12.688 6.391 -14.555 1.00 0.00 H new ATOM 0 HA ASN A 74 12.982 4.056 -16.011 1.00 0.00 H new ATOM 0 HB2 ASN A 74 13.973 6.149 -16.697 1.00 0.00 H new ATOM 0 HB3 ASN A 74 14.900 6.275 -15.215 1.00 0.00 H new ATOM 0 HD21 ASN A 74 17.672 4.899 -16.931 1.00 0.00 H new ATOM 0 HD22 ASN A 74 16.986 6.280 -16.069 1.00 0.00 H new ATOM 1254 N GLN A 75 14.178 2.322 -14.775 1.00 0.00 N ATOM 1255 CA GLN A 75 14.812 1.214 -14.071 1.00 0.00 C ATOM 1256 C GLN A 75 16.324 1.437 -13.981 1.00 0.00 C ATOM 1257 O GLN A 75 16.911 1.253 -12.917 1.00 0.00 O ATOM 1258 CB GLN A 75 14.498 -0.118 -14.784 1.00 0.00 C ATOM 1259 CG GLN A 75 12.988 -0.392 -14.927 1.00 0.00 C ATOM 1260 CD GLN A 75 12.660 -1.758 -15.543 1.00 0.00 C ATOM 1261 OE1 GLN A 75 13.484 -2.405 -16.186 1.00 0.00 O ATOM 1262 NE2 GLN A 75 11.427 -2.213 -15.398 1.00 0.00 N ATOM 0 H GLN A 75 13.654 2.032 -15.600 1.00 0.00 H new ATOM 0 HA GLN A 75 14.413 1.165 -13.058 1.00 0.00 H new ATOM 0 HB2 GLN A 75 14.954 -0.108 -15.774 1.00 0.00 H new ATOM 0 HB3 GLN A 75 14.958 -0.936 -14.229 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.522 -0.326 -13.944 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.544 0.390 -15.543 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.744 -1.675 -14.864 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.159 -3.102 -15.820 1.00 0.00 H new ATOM 1271 N LEU A 76 16.961 1.910 -15.058 1.00 0.00 N ATOM 1272 CA LEU A 76 18.401 2.155 -15.040 1.00 0.00 C ATOM 1273 C LEU A 76 18.756 3.302 -14.095 1.00 0.00 C ATOM 1274 O LEU A 76 19.857 3.275 -13.564 1.00 0.00 O ATOM 1275 CB LEU A 76 18.945 2.404 -16.458 1.00 0.00 C ATOM 1276 CG LEU A 76 19.090 1.117 -17.296 1.00 0.00 C ATOM 1277 CD1 LEU A 76 19.372 1.486 -18.757 1.00 0.00 C ATOM 1278 CD2 LEU A 76 20.218 0.212 -16.777 1.00 0.00 C ATOM 0 H LEU A 76 16.504 2.128 -15.944 1.00 0.00 H new ATOM 0 HA LEU A 76 18.884 1.255 -14.659 1.00 0.00 H new ATOM 0 HB2 LEU A 76 18.280 3.094 -16.978 1.00 0.00 H new ATOM 0 HB3 LEU A 76 19.917 2.892 -16.385 1.00 0.00 H new ATOM 0 HG LEU A 76 18.154 0.565 -17.214 1.00 0.00 H new ATOM 0 HD11 LEU A 76 19.474 0.576 -19.349 1.00 0.00 H new ATOM 0 HD12 LEU A 76 18.547 2.082 -19.147 1.00 0.00 H new ATOM 0 HD13 LEU A 76 20.295 2.062 -18.815 1.00 0.00 H new ATOM 0 HD21 LEU A 76 20.282 -0.682 -17.398 1.00 0.00 H new ATOM 0 HD22 LEU A 76 21.165 0.751 -16.817 1.00 0.00 H new ATOM 0 HD23 LEU A 76 20.008 -0.076 -15.747 1.00 0.00 H new ATOM 1290 N SER A 77 17.868 4.264 -13.820 1.00 0.00 N ATOM 1291 CA SER A 77 18.133 5.289 -12.819 1.00 0.00 C ATOM 1292 C SER A 77 18.228 4.655 -11.436 1.00 0.00 C ATOM 1293 O SER A 77 19.234 4.860 -10.755 1.00 0.00 O ATOM 1294 CB SER A 77 17.095 6.410 -12.874 1.00 0.00 C ATOM 1295 OG SER A 77 17.086 7.003 -14.164 1.00 0.00 O ATOM 0 H SER A 77 16.961 4.349 -14.280 1.00 0.00 H new ATOM 0 HA SER A 77 19.094 5.754 -13.041 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.107 6.013 -12.641 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.322 7.164 -12.120 1.00 0.00 H new ATOM 0 HG SER A 77 16.417 7.719 -14.190 1.00 0.00 H new ATOM 1301 N VAL A 78 17.250 3.832 -11.034 1.00 0.00 N ATOM 1302 CA VAL A 78 17.297 3.242 -9.691 1.00 0.00 C ATOM 1303 C VAL A 78 18.535 2.343 -9.547 1.00 0.00 C ATOM 1304 O VAL A 78 19.233 2.380 -8.526 1.00 0.00 O ATOM 1305 CB VAL A 78 15.963 2.584 -9.266 1.00 0.00 C ATOM 1306 CG1 VAL A 78 14.749 3.405 -9.734 1.00 0.00 C ATOM 1307 CG2 VAL A 78 15.755 1.131 -9.699 1.00 0.00 C ATOM 0 H VAL A 78 16.443 3.567 -11.598 1.00 0.00 H new ATOM 0 HA VAL A 78 17.415 4.048 -8.967 1.00 0.00 H new ATOM 0 HB VAL A 78 16.042 2.572 -8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.831 2.910 -9.416 1.00 0.00 H new ATOM 0 HG12 VAL A 78 14.794 4.402 -9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.761 3.485 -10.821 1.00 0.00 H new ATOM 0 HG21 VAL A 78 14.786 0.780 -9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 78 15.787 1.067 -10.787 1.00 0.00 H new ATOM 0 HG23 VAL A 78 16.544 0.509 -9.276 1.00 0.00 H new ATOM 1317 N VAL A 79 18.856 1.590 -10.605 1.00 0.00 N ATOM 1318 CA VAL A 79 20.023 0.722 -10.628 1.00 0.00 C ATOM 1319 C VAL A 79 21.296 1.582 -10.564 1.00 0.00 C ATOM 1320 O VAL A 79 22.184 1.249 -9.790 1.00 0.00 O ATOM 1321 CB VAL A 79 19.964 -0.208 -11.860 1.00 0.00 C ATOM 1322 CG1 VAL A 79 21.102 -1.235 -11.863 1.00 0.00 C ATOM 1323 CG2 VAL A 79 18.665 -1.034 -11.963 1.00 0.00 C ATOM 0 H VAL A 79 18.310 1.570 -11.466 1.00 0.00 H new ATOM 0 HA VAL A 79 20.038 0.069 -9.755 1.00 0.00 H new ATOM 0 HB VAL A 79 20.035 0.486 -12.698 1.00 0.00 H new ATOM 0 HG11 VAL A 79 21.020 -1.867 -12.747 1.00 0.00 H new ATOM 0 HG12 VAL A 79 22.060 -0.716 -11.876 1.00 0.00 H new ATOM 0 HG13 VAL A 79 21.036 -1.854 -10.968 1.00 0.00 H new ATOM 0 HG21 VAL A 79 18.702 -1.661 -12.854 1.00 0.00 H new ATOM 0 HG22 VAL A 79 18.564 -1.665 -11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 79 17.810 -0.361 -12.028 1.00 0.00 H new ATOM 1333 N LYS A 80 21.399 2.702 -11.295 1.00 0.00 N ATOM 1334 CA LYS A 80 22.567 3.597 -11.270 1.00 0.00 C ATOM 1335 C LYS A 80 22.847 4.138 -9.875 1.00 0.00 C ATOM 1336 O LYS A 80 24.013 4.255 -9.495 1.00 0.00 O ATOM 1337 CB LYS A 80 22.392 4.749 -12.273 1.00 0.00 C ATOM 1338 CG LYS A 80 22.849 4.344 -13.683 1.00 0.00 C ATOM 1339 CD LYS A 80 22.511 5.437 -14.705 1.00 0.00 C ATOM 1340 CE LYS A 80 22.997 5.019 -16.099 1.00 0.00 C ATOM 1341 NZ LYS A 80 22.739 6.062 -17.124 1.00 0.00 N ATOM 0 H LYS A 80 20.664 3.016 -11.929 1.00 0.00 H new ATOM 0 HA LYS A 80 23.432 3.003 -11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 80 21.345 5.052 -12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 80 22.965 5.614 -11.938 1.00 0.00 H new ATOM 0 HG2 LYS A 80 23.924 4.161 -13.682 1.00 0.00 H new ATOM 0 HG3 LYS A 80 22.367 3.410 -13.971 1.00 0.00 H new ATOM 0 HD2 LYS A 80 21.435 5.610 -14.723 1.00 0.00 H new ATOM 0 HD3 LYS A 80 22.980 6.377 -14.414 1.00 0.00 H new ATOM 0 HE2 LYS A 80 24.066 4.808 -16.060 1.00 0.00 H new ATOM 0 HE3 LYS A 80 22.500 4.094 -16.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 23.085 5.733 -18.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 21.717 6.246 -17.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 23.234 6.938 -16.861 1.00 0.00 H new ATOM 1355 N TYR A 81 21.805 4.442 -9.108 1.00 0.00 N ATOM 1356 CA TYR A 81 21.968 4.948 -7.749 1.00 0.00 C ATOM 1357 C TYR A 81 22.650 3.877 -6.892 1.00 0.00 C ATOM 1358 O TYR A 81 23.649 4.153 -6.214 1.00 0.00 O ATOM 1359 CB TYR A 81 20.610 5.374 -7.158 1.00 0.00 C ATOM 1360 CG TYR A 81 19.775 6.352 -7.977 1.00 0.00 C ATOM 1361 CD1 TYR A 81 20.374 7.354 -8.773 1.00 0.00 C ATOM 1362 CD2 TYR A 81 18.372 6.248 -7.940 1.00 0.00 C ATOM 1363 CE1 TYR A 81 19.579 8.220 -9.547 1.00 0.00 C ATOM 1364 CE2 TYR A 81 17.572 7.090 -8.732 1.00 0.00 C ATOM 1365 CZ TYR A 81 18.171 8.089 -9.534 1.00 0.00 C ATOM 1366 OH TYR A 81 17.381 8.919 -10.269 1.00 0.00 O ATOM 0 H TYR A 81 20.834 4.346 -9.406 1.00 0.00 H new ATOM 0 HA TYR A 81 22.600 5.836 -7.762 1.00 0.00 H new ATOM 0 HB2 TYR A 81 20.015 4.475 -6.994 1.00 0.00 H new ATOM 0 HB3 TYR A 81 20.791 5.820 -6.180 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.449 7.456 -8.788 1.00 0.00 H new ATOM 0 HD2 TYR A 81 17.906 5.515 -7.298 1.00 0.00 H new ATOM 0 HE1 TYR A 81 20.044 8.985 -10.151 1.00 0.00 H new ATOM 0 HE2 TYR A 81 16.498 6.974 -8.728 1.00 0.00 H new ATOM 0 HH TYR A 81 17.943 9.543 -10.774 1.00 0.00 H new ATOM 1376 N LEU A 82 22.156 2.634 -6.969 1.00 0.00 N ATOM 1377 CA LEU A 82 22.782 1.523 -6.261 1.00 0.00 C ATOM 1378 C LEU A 82 24.201 1.278 -6.779 1.00 0.00 C ATOM 1379 O LEU A 82 25.115 1.136 -5.969 1.00 0.00 O ATOM 1380 CB LEU A 82 21.923 0.255 -6.378 1.00 0.00 C ATOM 1381 CG LEU A 82 22.549 -0.962 -5.667 1.00 0.00 C ATOM 1382 CD1 LEU A 82 22.788 -0.733 -4.167 1.00 0.00 C ATOM 1383 CD2 LEU A 82 21.634 -2.168 -5.870 1.00 0.00 C ATOM 0 H LEU A 82 21.331 2.379 -7.512 1.00 0.00 H new ATOM 0 HA LEU A 82 22.854 1.786 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 82 20.938 0.450 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 82 21.776 0.018 -7.432 1.00 0.00 H new ATOM 0 HG LEU A 82 23.530 -1.134 -6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 82 23.230 -1.628 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 82 23.465 0.110 -4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 82 21.839 -0.519 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 82 22.063 -3.038 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 82 20.652 -1.955 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 82 21.533 -2.373 -6.936 1.00 0.00 H new ATOM 1395 N LEU A 83 24.386 1.252 -8.105 1.00 0.00 N ATOM 1396 CA LEU A 83 25.665 0.991 -8.761 1.00 0.00 C ATOM 1397 C LEU A 83 26.733 1.912 -8.194 1.00 0.00 C ATOM 1398 O LEU A 83 27.722 1.419 -7.662 1.00 0.00 O ATOM 1399 CB LEU A 83 25.566 1.193 -10.291 1.00 0.00 C ATOM 1400 CG LEU A 83 24.922 0.032 -11.070 1.00 0.00 C ATOM 1401 CD1 LEU A 83 24.376 0.499 -12.430 1.00 0.00 C ATOM 1402 CD2 LEU A 83 25.930 -1.104 -11.283 1.00 0.00 C ATOM 0 H LEU A 83 23.627 1.417 -8.766 1.00 0.00 H new ATOM 0 HA LEU A 83 25.934 -0.048 -8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 83 24.993 2.100 -10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 83 26.569 1.360 -10.684 1.00 0.00 H new ATOM 0 HG LEU A 83 24.088 -0.335 -10.472 1.00 0.00 H new ATOM 0 HD11 LEU A 83 23.929 -0.347 -12.952 1.00 0.00 H new ATOM 0 HD12 LEU A 83 23.621 1.270 -12.274 1.00 0.00 H new ATOM 0 HD13 LEU A 83 25.191 0.906 -13.029 1.00 0.00 H new ATOM 0 HD21 LEU A 83 25.454 -1.914 -11.835 1.00 0.00 H new ATOM 0 HD22 LEU A 83 26.784 -0.731 -11.849 1.00 0.00 H new ATOM 0 HD23 LEU A 83 26.270 -1.475 -10.316 1.00 0.00 H new ATOM 1414 N ALA A 84 26.533 3.234 -8.260 1.00 0.00 N ATOM 1415 CA ALA A 84 27.556 4.170 -7.812 1.00 0.00 C ATOM 1416 C ALA A 84 27.870 3.971 -6.333 1.00 0.00 C ATOM 1417 O ALA A 84 29.039 3.997 -5.953 1.00 0.00 O ATOM 1418 CB ALA A 84 27.121 5.617 -8.059 1.00 0.00 C ATOM 0 H ALA A 84 25.682 3.670 -8.615 1.00 0.00 H new ATOM 0 HA ALA A 84 28.458 3.971 -8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 84 27.902 6.295 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 84 26.951 5.769 -9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 84 26.200 5.818 -7.512 1.00 0.00 H new ATOM 1424 N SER A 85 26.846 3.743 -5.510 1.00 0.00 N ATOM 1425 CA SER A 85 27.034 3.562 -4.077 1.00 0.00 C ATOM 1426 C SER A 85 27.881 2.324 -3.787 1.00 0.00 C ATOM 1427 O SER A 85 28.856 2.382 -3.033 1.00 0.00 O ATOM 1428 CB SER A 85 25.670 3.422 -3.407 1.00 0.00 C ATOM 1429 OG SER A 85 24.822 4.493 -3.755 1.00 0.00 O ATOM 0 H SER A 85 25.875 3.680 -5.817 1.00 0.00 H new ATOM 0 HA SER A 85 27.558 4.432 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 85 25.211 2.479 -3.704 1.00 0.00 H new ATOM 0 HB3 SER A 85 25.795 3.389 -2.325 1.00 0.00 H new ATOM 0 HG SER A 85 24.357 4.283 -4.592 1.00 0.00 H new ATOM 1435 N LEU A 86 27.515 1.193 -4.387 1.00 0.00 N ATOM 1436 CA LEU A 86 28.100 -0.098 -4.062 1.00 0.00 C ATOM 1437 C LEU A 86 29.478 -0.252 -4.717 1.00 0.00 C ATOM 1438 O LEU A 86 30.361 -0.889 -4.141 1.00 0.00 O ATOM 1439 CB LEU A 86 27.096 -1.186 -4.471 1.00 0.00 C ATOM 1440 CG LEU A 86 27.358 -2.583 -3.879 1.00 0.00 C ATOM 1441 CD1 LEU A 86 27.575 -2.589 -2.358 1.00 0.00 C ATOM 1442 CD2 LEU A 86 26.126 -3.446 -4.178 1.00 0.00 C ATOM 0 H LEU A 86 26.801 1.150 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 86 28.284 -0.190 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 86 26.098 -0.865 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 86 27.095 -1.265 -5.558 1.00 0.00 H new ATOM 0 HG LEU A 86 28.276 -2.959 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 86 27.753 -3.610 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 86 28.437 -1.969 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 86 26.689 -2.192 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 86 26.275 -4.447 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 86 25.246 -2.996 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 86 25.980 -3.510 -5.256 1.00 0.00 H new ATOM 1454 N LYS A 87 29.694 0.395 -5.871 1.00 0.00 N ATOM 1455 CA LYS A 87 31.014 0.509 -6.485 1.00 0.00 C ATOM 1456 C LYS A 87 31.913 1.367 -5.602 1.00 0.00 C ATOM 1457 O LYS A 87 33.024 0.944 -5.281 1.00 0.00 O ATOM 1458 CB LYS A 87 30.914 1.117 -7.898 1.00 0.00 C ATOM 1459 CG LYS A 87 30.283 0.186 -8.952 1.00 0.00 C ATOM 1460 CD LYS A 87 31.261 -0.880 -9.474 1.00 0.00 C ATOM 1461 CE LYS A 87 30.591 -1.776 -10.531 1.00 0.00 C ATOM 1462 NZ LYS A 87 31.545 -2.743 -11.132 1.00 0.00 N ATOM 0 H LYS A 87 28.953 0.853 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 87 31.444 -0.488 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 87 30.327 2.034 -7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 87 31.914 1.397 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 87 29.413 -0.308 -8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 87 29.925 0.784 -9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 87 32.136 -0.395 -9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 87 31.613 -1.492 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 87 29.765 -2.320 -10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 87 30.165 -1.152 -11.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 31.020 -3.453 -11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 32.203 -2.238 -11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 32.081 -3.216 -10.377 1.00 0.00 H new ATOM 1476 N ASP A 88 31.453 2.547 -5.175 1.00 0.00 N ATOM 1477 CA ASP A 88 32.266 3.461 -4.368 1.00 0.00 C ATOM 1478 C ASP A 88 32.606 2.868 -3.003 1.00 0.00 C ATOM 1479 O ASP A 88 33.673 3.156 -2.468 1.00 0.00 O ATOM 1480 CB ASP A 88 31.563 4.810 -4.183 1.00 0.00 C ATOM 1481 CG ASP A 88 32.440 5.771 -3.362 1.00 0.00 C ATOM 1482 OD1 ASP A 88 33.476 6.238 -3.886 1.00 0.00 O ATOM 1483 OD2 ASP A 88 32.086 6.077 -2.204 1.00 0.00 O ATOM 0 H ASP A 88 30.515 2.893 -5.377 1.00 0.00 H new ATOM 0 HA ASP A 88 33.196 3.616 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 88 31.346 5.249 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 88 30.607 4.662 -3.680 1.00 0.00 H new ATOM 1488 N SER A 89 31.753 1.982 -2.480 1.00 0.00 N ATOM 1489 CA SER A 89 32.013 1.198 -1.270 1.00 0.00 C ATOM 1490 C SER A 89 33.196 0.207 -1.404 1.00 0.00 C ATOM 1491 O SER A 89 33.491 -0.519 -0.453 1.00 0.00 O ATOM 1492 CB SER A 89 30.722 0.475 -0.855 1.00 0.00 C ATOM 1493 OG SER A 89 29.660 1.393 -0.643 1.00 0.00 O ATOM 0 H SER A 89 30.842 1.786 -2.896 1.00 0.00 H new ATOM 0 HA SER A 89 32.321 1.895 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 89 30.439 -0.239 -1.628 1.00 0.00 H new ATOM 0 HB3 SER A 89 30.899 -0.095 0.057 1.00 0.00 H new ATOM 0 HG SER A 89 29.280 1.659 -1.506 1.00 0.00 H new ATOM 1499 N LYS A 90 33.892 0.179 -2.552 1.00 0.00 N ATOM 1500 CA LYS A 90 35.018 -0.700 -2.891 1.00 0.00 C ATOM 1501 C LYS A 90 34.675 -2.194 -2.803 1.00 0.00 C ATOM 1502 O LYS A 90 35.587 -3.022 -2.732 1.00 0.00 O ATOM 1503 CB LYS A 90 36.316 -0.362 -2.121 1.00 0.00 C ATOM 1504 CG LYS A 90 36.816 1.086 -2.263 1.00 0.00 C ATOM 1505 CD LYS A 90 36.378 1.943 -1.070 1.00 0.00 C ATOM 1506 CE LYS A 90 36.867 3.398 -1.144 1.00 0.00 C ATOM 1507 NZ LYS A 90 36.283 4.143 -2.284 1.00 0.00 N ATOM 0 H LYS A 90 33.666 0.813 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 90 35.220 -0.492 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 90 36.154 -0.569 -1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 90 37.104 -1.034 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 90 37.903 1.092 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 90 36.429 1.518 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 90 35.290 1.937 -1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 90 36.751 1.490 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 90 36.615 3.909 -0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 90 37.954 3.407 -1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 36.315 5.163 -2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 36.828 3.942 -3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 35.295 3.848 -2.422 1.00 0.00 H new ATOM 1521 N ASP A 91 33.393 -2.569 -2.779 1.00 0.00 N ATOM 1522 CA ASP A 91 33.019 -3.981 -2.758 1.00 0.00 C ATOM 1523 C ASP A 91 33.239 -4.587 -4.155 1.00 0.00 C ATOM 1524 O ASP A 91 33.416 -3.861 -5.141 1.00 0.00 O ATOM 1525 CB ASP A 91 31.591 -4.174 -2.225 1.00 0.00 C ATOM 1526 CG ASP A 91 31.447 -5.559 -1.575 1.00 0.00 C ATOM 1527 OD1 ASP A 91 31.445 -6.575 -2.306 1.00 0.00 O ATOM 1528 OD2 ASP A 91 31.384 -5.625 -0.326 1.00 0.00 O ATOM 0 H ASP A 91 32.606 -1.920 -2.774 1.00 0.00 H new ATOM 0 HA ASP A 91 33.660 -4.522 -2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 91 31.359 -3.397 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 91 30.874 -4.071 -3.040 1.00 0.00 H new ATOM 1533 N PHE A 92 33.255 -5.914 -4.243 1.00 0.00 N ATOM 1534 CA PHE A 92 33.586 -6.682 -5.439 1.00 0.00 C ATOM 1535 C PHE A 92 32.799 -8.000 -5.515 1.00 0.00 C ATOM 1536 O PHE A 92 32.970 -8.748 -6.479 1.00 0.00 O ATOM 1537 CB PHE A 92 35.103 -6.943 -5.459 1.00 0.00 C ATOM 1538 CG PHE A 92 35.632 -7.712 -4.259 1.00 0.00 C ATOM 1539 CD1 PHE A 92 35.641 -9.122 -4.264 1.00 0.00 C ATOM 1540 CD2 PHE A 92 36.101 -7.019 -3.125 1.00 0.00 C ATOM 1541 CE1 PHE A 92 36.107 -9.831 -3.143 1.00 0.00 C ATOM 1542 CE2 PHE A 92 36.569 -7.729 -2.004 1.00 0.00 C ATOM 1543 CZ PHE A 92 36.571 -9.135 -2.011 1.00 0.00 C ATOM 0 H PHE A 92 33.027 -6.510 -3.447 1.00 0.00 H new ATOM 0 HA PHE A 92 33.300 -6.102 -6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 92 35.351 -7.496 -6.365 1.00 0.00 H new ATOM 0 HB3 PHE A 92 35.622 -5.986 -5.517 1.00 0.00 H new ATOM 0 HD1 PHE A 92 35.289 -9.659 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 92 36.101 -5.939 -3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 92 36.109 -10.911 -3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 92 36.927 -7.193 -1.137 1.00 0.00 H new ATOM 0 HZ PHE A 92 36.928 -9.680 -1.150 1.00 0.00 H new ATOM 1553 N ASP A 93 31.939 -8.304 -4.534 1.00 0.00 N ATOM 1554 CA ASP A 93 31.198 -9.566 -4.458 1.00 0.00 C ATOM 1555 C ASP A 93 29.753 -9.301 -4.059 1.00 0.00 C ATOM 1556 O ASP A 93 28.841 -9.795 -4.722 1.00 0.00 O ATOM 1557 CB ASP A 93 31.863 -10.520 -3.464 1.00 0.00 C ATOM 1558 CG ASP A 93 31.059 -11.826 -3.352 1.00 0.00 C ATOM 1559 OD1 ASP A 93 31.102 -12.646 -4.298 1.00 0.00 O ATOM 1560 OD2 ASP A 93 30.419 -12.058 -2.305 1.00 0.00 O ATOM 0 H ASP A 93 31.737 -7.670 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 93 31.208 -10.037 -5.441 1.00 0.00 H new ATOM 0 HB2 ASP A 93 32.881 -10.739 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 93 31.934 -10.044 -2.486 1.00 0.00 H new ATOM 1565 N GLU A 94 29.513 -8.442 -3.063 1.00 0.00 N ATOM 1566 CA GLU A 94 28.165 -7.964 -2.782 1.00 0.00 C ATOM 1567 C GLU A 94 27.689 -7.134 -3.971 1.00 0.00 C ATOM 1568 O GLU A 94 26.516 -7.211 -4.316 1.00 0.00 O ATOM 1569 CB GLU A 94 28.092 -7.141 -1.487 1.00 0.00 C ATOM 1570 CG GLU A 94 28.454 -7.934 -0.221 1.00 0.00 C ATOM 1571 CD GLU A 94 27.610 -9.204 -0.009 1.00 0.00 C ATOM 1572 OE1 GLU A 94 26.411 -9.236 -0.355 1.00 0.00 O ATOM 1573 OE2 GLU A 94 28.129 -10.205 0.534 1.00 0.00 O ATOM 0 H GLU A 94 30.233 -8.068 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 94 27.516 -8.827 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 94 28.764 -6.287 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 94 27.083 -6.743 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 94 29.506 -8.215 -0.270 1.00 0.00 H new ATOM 0 HG3 GLU A 94 28.337 -7.285 0.647 1.00 0.00 H new ATOM 1580 N SER A 95 28.594 -6.433 -4.667 1.00 0.00 N ATOM 1581 CA SER A 95 28.308 -5.778 -5.938 1.00 0.00 C ATOM 1582 C SER A 95 27.619 -6.730 -6.917 1.00 0.00 C ATOM 1583 O SER A 95 26.655 -6.353 -7.580 1.00 0.00 O ATOM 1584 CB SER A 95 29.614 -5.239 -6.537 1.00 0.00 C ATOM 1585 OG SER A 95 30.374 -4.585 -5.538 1.00 0.00 O ATOM 0 H SER A 95 29.556 -6.307 -4.354 1.00 0.00 H new ATOM 0 HA SER A 95 27.622 -4.950 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 95 30.191 -6.058 -6.966 1.00 0.00 H new ATOM 0 HB3 SER A 95 29.392 -4.546 -7.348 1.00 0.00 H new ATOM 0 HG SER A 95 31.199 -4.232 -5.933 1.00 0.00 H new ATOM 1591 N LEU A 96 28.080 -7.980 -6.989 1.00 0.00 N ATOM 1592 CA LEU A 96 27.548 -8.941 -7.941 1.00 0.00 C ATOM 1593 C LEU A 96 26.229 -9.512 -7.437 1.00 0.00 C ATOM 1594 O LEU A 96 25.271 -9.594 -8.205 1.00 0.00 O ATOM 1595 CB LEU A 96 28.593 -10.028 -8.242 1.00 0.00 C ATOM 1596 CG LEU A 96 29.868 -9.457 -8.896 1.00 0.00 C ATOM 1597 CD1 LEU A 96 30.856 -10.576 -9.221 1.00 0.00 C ATOM 1598 CD2 LEU A 96 29.528 -8.665 -10.165 1.00 0.00 C ATOM 0 H LEU A 96 28.824 -8.346 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 96 27.334 -8.439 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 96 28.860 -10.537 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 96 28.154 -10.777 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 96 30.333 -8.777 -8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 96 31.748 -10.151 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 96 31.133 -11.095 -8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 96 30.393 -11.282 -9.911 1.00 0.00 H new ATOM 0 HD21 LEU A 96 30.445 -8.273 -10.606 1.00 0.00 H new ATOM 0 HD22 LEU A 96 29.032 -9.320 -10.881 1.00 0.00 H new ATOM 0 HD23 LEU A 96 28.865 -7.838 -9.911 1.00 0.00 H new ATOM 1610 N LYS A 97 26.149 -9.842 -6.146 1.00 0.00 N ATOM 1611 CA LYS A 97 24.925 -10.362 -5.538 1.00 0.00 C ATOM 1612 C LYS A 97 23.791 -9.343 -5.668 1.00 0.00 C ATOM 1613 O LYS A 97 22.719 -9.679 -6.168 1.00 0.00 O ATOM 1614 CB LYS A 97 25.188 -10.715 -4.064 1.00 0.00 C ATOM 1615 CG LYS A 97 26.110 -11.940 -3.912 1.00 0.00 C ATOM 1616 CD LYS A 97 26.698 -12.076 -2.500 1.00 0.00 C ATOM 1617 CE LYS A 97 25.622 -12.195 -1.411 1.00 0.00 C ATOM 1618 NZ LYS A 97 26.217 -12.203 -0.055 1.00 0.00 N ATOM 0 H LYS A 97 26.930 -9.756 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 97 24.620 -11.268 -6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 97 25.639 -9.859 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 97 24.239 -10.913 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.549 -12.843 -4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 97 26.924 -11.867 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 97 27.342 -12.954 -2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 97 27.326 -11.211 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 97 24.923 -11.363 -1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.049 -13.110 -1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 25.546 -11.785 0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 26.427 -13.182 0.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.096 -11.647 -0.058 1.00 0.00 H new ATOM 1632 N TYR A 98 24.033 -8.100 -5.249 1.00 0.00 N ATOM 1633 CA TYR A 98 23.032 -7.044 -5.210 1.00 0.00 C ATOM 1634 C TYR A 98 22.521 -6.711 -6.604 1.00 0.00 C ATOM 1635 O TYR A 98 21.316 -6.539 -6.773 1.00 0.00 O ATOM 1636 CB TYR A 98 23.601 -5.779 -4.551 1.00 0.00 C ATOM 1637 CG TYR A 98 23.546 -5.704 -3.029 1.00 0.00 C ATOM 1638 CD1 TYR A 98 24.150 -6.686 -2.217 1.00 0.00 C ATOM 1639 CD2 TYR A 98 22.899 -4.610 -2.416 1.00 0.00 C ATOM 1640 CE1 TYR A 98 24.100 -6.583 -0.816 1.00 0.00 C ATOM 1641 CE2 TYR A 98 22.846 -4.498 -1.014 1.00 0.00 C ATOM 1642 CZ TYR A 98 23.448 -5.490 -0.205 1.00 0.00 C ATOM 1643 OH TYR A 98 23.409 -5.402 1.154 1.00 0.00 O ATOM 0 H TYR A 98 24.950 -7.798 -4.922 1.00 0.00 H new ATOM 0 HA TYR A 98 22.196 -7.411 -4.615 1.00 0.00 H new ATOM 0 HB2 TYR A 98 24.642 -5.677 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 98 23.065 -4.919 -4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 98 24.655 -7.524 -2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 98 22.439 -3.850 -3.030 1.00 0.00 H new ATOM 0 HE1 TYR A 98 24.562 -7.343 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 98 22.347 -3.656 -0.557 1.00 0.00 H new ATOM 0 HH TYR A 98 22.925 -4.591 1.416 1.00 0.00 H new ATOM 1653 N LEU A 99 23.399 -6.601 -7.605 1.00 0.00 N ATOM 1654 CA LEU A 99 22.978 -6.061 -8.894 1.00 0.00 C ATOM 1655 C LEU A 99 22.428 -7.147 -9.799 1.00 0.00 C ATOM 1656 O LEU A 99 21.523 -6.856 -10.579 1.00 0.00 O ATOM 1657 CB LEU A 99 24.123 -5.299 -9.571 1.00 0.00 C ATOM 1658 CG LEU A 99 24.311 -3.849 -9.088 1.00 0.00 C ATOM 1659 CD1 LEU A 99 23.178 -2.949 -9.588 1.00 0.00 C ATOM 1660 CD2 LEU A 99 24.415 -3.720 -7.564 1.00 0.00 C ATOM 0 H LEU A 99 24.381 -6.872 -7.549 1.00 0.00 H new ATOM 0 HA LEU A 99 22.170 -5.354 -8.708 1.00 0.00 H new ATOM 0 HB2 LEU A 99 25.052 -5.845 -9.405 1.00 0.00 H new ATOM 0 HB3 LEU A 99 23.947 -5.288 -10.647 1.00 0.00 H new ATOM 0 HG LEU A 99 25.262 -3.526 -9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 99 23.337 -1.931 -9.231 1.00 0.00 H new ATOM 0 HD12 LEU A 99 23.164 -2.954 -10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 99 22.225 -3.320 -9.211 1.00 0.00 H new ATOM 0 HD21 LEU A 99 24.546 -2.672 -7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 99 23.503 -4.101 -7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 99 25.269 -4.295 -7.208 1.00 0.00 H new ATOM 1672 N ASP A 100 22.902 -8.388 -9.674 1.00 0.00 N ATOM 1673 CA ASP A 100 22.248 -9.491 -10.368 1.00 0.00 C ATOM 1674 C ASP A 100 20.858 -9.729 -9.769 1.00 0.00 C ATOM 1675 O ASP A 100 19.905 -9.967 -10.506 1.00 0.00 O ATOM 1676 CB ASP A 100 23.066 -10.779 -10.336 1.00 0.00 C ATOM 1677 CG ASP A 100 22.349 -11.859 -11.161 1.00 0.00 C ATOM 1678 OD1 ASP A 100 22.104 -11.630 -12.369 1.00 0.00 O ATOM 1679 OD2 ASP A 100 22.056 -12.946 -10.613 1.00 0.00 O ATOM 0 H ASP A 100 23.714 -8.648 -9.114 1.00 0.00 H new ATOM 0 HA ASP A 100 22.157 -9.204 -11.416 1.00 0.00 H new ATOM 0 HB2 ASP A 100 24.063 -10.600 -10.739 1.00 0.00 H new ATOM 0 HB3 ASP A 100 23.194 -11.116 -9.307 1.00 0.00 H new ATOM 1684 N ASP A 101 20.701 -9.594 -8.446 1.00 0.00 N ATOM 1685 CA ASP A 101 19.384 -9.662 -7.813 1.00 0.00 C ATOM 1686 C ASP A 101 18.495 -8.509 -8.280 1.00 0.00 C ATOM 1687 O ASP A 101 17.346 -8.736 -8.652 1.00 0.00 O ATOM 1688 CB ASP A 101 19.496 -9.653 -6.286 1.00 0.00 C ATOM 1689 CG ASP A 101 18.102 -9.669 -5.640 1.00 0.00 C ATOM 1690 OD1 ASP A 101 17.456 -10.741 -5.623 1.00 0.00 O ATOM 1691 OD2 ASP A 101 17.663 -8.625 -5.109 1.00 0.00 O ATOM 0 H ASP A 101 21.471 -9.437 -7.796 1.00 0.00 H new ATOM 0 HA ASP A 101 18.926 -10.604 -8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 101 20.067 -10.520 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 101 20.043 -8.768 -5.962 1.00 0.00 H new ATOM 1696 N LEU A 102 19.016 -7.278 -8.326 1.00 0.00 N ATOM 1697 CA LEU A 102 18.234 -6.122 -8.750 1.00 0.00 C ATOM 1698 C LEU A 102 17.812 -6.251 -10.218 1.00 0.00 C ATOM 1699 O LEU A 102 16.641 -6.026 -10.533 1.00 0.00 O ATOM 1700 CB LEU A 102 19.004 -4.816 -8.481 1.00 0.00 C ATOM 1701 CG LEU A 102 18.216 -3.556 -8.903 1.00 0.00 C ATOM 1702 CD1 LEU A 102 16.820 -3.451 -8.275 1.00 0.00 C ATOM 1703 CD2 LEU A 102 19.014 -2.305 -8.522 1.00 0.00 C ATOM 0 H LEU A 102 19.980 -7.061 -8.073 1.00 0.00 H new ATOM 0 HA LEU A 102 17.319 -6.088 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 102 19.241 -4.752 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 102 19.952 -4.842 -9.018 1.00 0.00 H new ATOM 0 HG LEU A 102 18.076 -3.636 -9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.333 -2.540 -8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 102 16.223 -4.315 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.911 -3.424 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 102 18.459 -1.415 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 102 19.174 -2.290 -7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 102 19.977 -2.319 -9.031 1.00 0.00 H new ATOM 1715 N LYS A 103 18.715 -6.658 -11.123 1.00 0.00 N ATOM 1716 CA LYS A 103 18.335 -6.864 -12.522 1.00 0.00 C ATOM 1717 C LYS A 103 17.269 -7.964 -12.602 1.00 0.00 C ATOM 1718 O LYS A 103 16.359 -7.863 -13.421 1.00 0.00 O ATOM 1719 CB LYS A 103 19.563 -7.105 -13.436 1.00 0.00 C ATOM 1720 CG LYS A 103 20.011 -8.559 -13.674 1.00 0.00 C ATOM 1721 CD LYS A 103 19.387 -9.199 -14.927 1.00 0.00 C ATOM 1722 CE LYS A 103 19.420 -10.737 -14.909 1.00 0.00 C ATOM 1723 NZ LYS A 103 20.777 -11.329 -14.775 1.00 0.00 N ATOM 0 H LYS A 103 19.695 -6.847 -10.914 1.00 0.00 H new ATOM 0 HA LYS A 103 17.889 -5.950 -12.914 1.00 0.00 H new ATOM 0 HB2 LYS A 103 19.350 -6.658 -14.407 1.00 0.00 H new ATOM 0 HB3 LYS A 103 20.407 -6.560 -13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 103 21.097 -8.585 -13.765 1.00 0.00 H new ATOM 0 HG3 LYS A 103 19.750 -9.158 -12.802 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.353 -8.866 -15.019 1.00 0.00 H new ATOM 0 HD3 LYS A 103 19.917 -8.842 -15.810 1.00 0.00 H new ATOM 0 HE2 LYS A 103 18.802 -11.090 -14.084 1.00 0.00 H new ATOM 0 HE3 LYS A 103 18.966 -11.107 -15.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 20.726 -12.354 -14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 21.415 -10.896 -15.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 21.140 -11.151 -13.817 1.00 0.00 H new ATOM 1737 N ALA A 104 17.354 -8.994 -11.748 1.00 0.00 N ATOM 1738 CA ALA A 104 16.404 -10.098 -11.725 1.00 0.00 C ATOM 1739 C ALA A 104 15.034 -9.657 -11.203 1.00 0.00 C ATOM 1740 O ALA A 104 14.024 -10.130 -11.717 1.00 0.00 O ATOM 1741 CB ALA A 104 16.945 -11.275 -10.906 1.00 0.00 C ATOM 0 H ALA A 104 18.093 -9.078 -11.050 1.00 0.00 H new ATOM 0 HA ALA A 104 16.272 -10.431 -12.754 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.215 -12.084 -10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 104 17.877 -11.627 -11.347 1.00 0.00 H new ATOM 0 HB3 ALA A 104 17.128 -10.952 -9.881 1.00 0.00 H new ATOM 1747 N GLN A 105 14.957 -8.737 -10.234 1.00 0.00 N ATOM 1748 CA GLN A 105 13.673 -8.191 -9.788 1.00 0.00 C ATOM 1749 C GLN A 105 12.957 -7.530 -10.970 1.00 0.00 C ATOM 1750 O GLN A 105 11.773 -7.777 -11.193 1.00 0.00 O ATOM 1751 CB GLN A 105 13.864 -7.191 -8.632 1.00 0.00 C ATOM 1752 CG GLN A 105 14.245 -7.853 -7.297 1.00 0.00 C ATOM 1753 CD GLN A 105 13.103 -8.686 -6.712 1.00 0.00 C ATOM 1754 OE1 GLN A 105 13.045 -9.903 -6.877 1.00 0.00 O ATOM 1755 NE2 GLN A 105 12.160 -8.058 -6.027 1.00 0.00 N ATOM 0 H GLN A 105 15.768 -8.357 -9.746 1.00 0.00 H new ATOM 0 HA GLN A 105 13.057 -9.008 -9.412 1.00 0.00 H new ATOM 0 HB2 GLN A 105 14.639 -6.476 -8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.942 -6.626 -8.497 1.00 0.00 H new ATOM 0 HG2 GLN A 105 15.116 -8.490 -7.446 1.00 0.00 H new ATOM 0 HG3 GLN A 105 14.533 -7.083 -6.582 1.00 0.00 H new ATOM 0 HE21 GLN A 105 12.214 -7.048 -5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 105 11.380 -8.584 -5.633 1.00 0.00 H new ATOM 1764 N PHE A 106 13.678 -6.748 -11.775 1.00 0.00 N ATOM 1765 CA PHE A 106 13.112 -6.163 -12.986 1.00 0.00 C ATOM 1766 C PHE A 106 12.807 -7.229 -14.042 1.00 0.00 C ATOM 1767 O PHE A 106 11.766 -7.144 -14.688 1.00 0.00 O ATOM 1768 CB PHE A 106 14.000 -5.018 -13.479 1.00 0.00 C ATOM 1769 CG PHE A 106 13.874 -3.750 -12.649 1.00 0.00 C ATOM 1770 CD1 PHE A 106 12.616 -3.132 -12.490 1.00 0.00 C ATOM 1771 CD2 PHE A 106 15.008 -3.177 -12.037 1.00 0.00 C ATOM 1772 CE1 PHE A 106 12.491 -1.956 -11.735 1.00 0.00 C ATOM 1773 CE2 PHE A 106 14.882 -1.992 -11.289 1.00 0.00 C ATOM 1774 CZ PHE A 106 13.625 -1.380 -11.145 1.00 0.00 C ATOM 0 H PHE A 106 14.655 -6.507 -11.608 1.00 0.00 H new ATOM 0 HA PHE A 106 12.142 -5.723 -12.757 1.00 0.00 H new ATOM 0 HB2 PHE A 106 15.039 -5.346 -13.471 1.00 0.00 H new ATOM 0 HB3 PHE A 106 13.745 -4.792 -14.514 1.00 0.00 H new ATOM 0 HD1 PHE A 106 11.743 -3.567 -12.953 1.00 0.00 H new ATOM 0 HD2 PHE A 106 15.974 -3.648 -12.143 1.00 0.00 H new ATOM 0 HE1 PHE A 106 11.523 -1.495 -11.608 1.00 0.00 H new ATOM 0 HE2 PHE A 106 15.752 -1.552 -10.825 1.00 0.00 H new ATOM 0 HZ PHE A 106 13.532 -0.465 -10.579 1.00 0.00 H new ATOM 1784 N GLN A 107 13.638 -8.266 -14.162 1.00 0.00 N ATOM 1785 CA GLN A 107 13.364 -9.416 -15.025 1.00 0.00 C ATOM 1786 C GLN A 107 12.028 -10.099 -14.677 1.00 0.00 C ATOM 1787 O GLN A 107 11.386 -10.656 -15.566 1.00 0.00 O ATOM 1788 CB GLN A 107 14.541 -10.406 -14.957 1.00 0.00 C ATOM 1789 CG GLN A 107 14.633 -11.344 -16.168 1.00 0.00 C ATOM 1790 CD GLN A 107 15.952 -12.125 -16.192 1.00 0.00 C ATOM 1791 OE1 GLN A 107 16.540 -12.444 -15.161 1.00 0.00 O ATOM 1792 NE2 GLN A 107 16.470 -12.433 -17.370 1.00 0.00 N ATOM 0 H GLN A 107 14.524 -8.332 -13.661 1.00 0.00 H new ATOM 0 HA GLN A 107 13.263 -9.058 -16.049 1.00 0.00 H new ATOM 0 HB2 GLN A 107 15.471 -9.844 -14.873 1.00 0.00 H new ATOM 0 HB3 GLN A 107 14.447 -11.005 -14.051 1.00 0.00 H new ATOM 0 HG2 GLN A 107 13.798 -12.044 -16.148 1.00 0.00 H new ATOM 0 HG3 GLN A 107 14.540 -10.762 -17.085 1.00 0.00 H new ATOM 0 HE21 GLN A 107 15.983 -12.169 -18.226 1.00 0.00 H new ATOM 0 HE22 GLN A 107 17.357 -12.935 -17.422 1.00 0.00 H new ATOM 1801 N GLU A 108 11.586 -10.044 -13.416 1.00 0.00 N ATOM 1802 CA GLU A 108 10.302 -10.596 -12.998 1.00 0.00 C ATOM 1803 C GLU A 108 9.193 -9.575 -13.254 1.00 0.00 C ATOM 1804 O GLU A 108 8.171 -9.930 -13.840 1.00 0.00 O ATOM 1805 CB GLU A 108 10.340 -10.978 -11.507 1.00 0.00 C ATOM 1806 CG GLU A 108 11.256 -12.174 -11.200 1.00 0.00 C ATOM 1807 CD GLU A 108 10.714 -13.495 -11.776 1.00 0.00 C ATOM 1808 OE1 GLU A 108 9.823 -14.115 -11.150 1.00 0.00 O ATOM 1809 OE2 GLU A 108 11.186 -13.945 -12.845 1.00 0.00 O ATOM 0 H GLU A 108 12.114 -9.613 -12.657 1.00 0.00 H new ATOM 0 HA GLU A 108 10.099 -11.496 -13.578 1.00 0.00 H new ATOM 0 HB2 GLU A 108 10.675 -10.117 -10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.328 -11.211 -11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.248 -11.983 -11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.371 -12.272 -10.120 1.00 0.00 H new ATOM 1816 N LEU A 109 9.394 -8.306 -12.864 1.00 0.00 N ATOM 1817 CA LEU A 109 8.408 -7.237 -13.052 1.00 0.00 C ATOM 1818 C LEU A 109 8.050 -7.065 -14.528 1.00 0.00 C ATOM 1819 O LEU A 109 6.897 -6.773 -14.852 1.00 0.00 O ATOM 1820 CB LEU A 109 8.919 -5.900 -12.485 1.00 0.00 C ATOM 1821 CG LEU A 109 8.933 -5.818 -10.946 1.00 0.00 C ATOM 1822 CD1 LEU A 109 9.666 -4.546 -10.504 1.00 0.00 C ATOM 1823 CD2 LEU A 109 7.518 -5.811 -10.351 1.00 0.00 C ATOM 0 H LEU A 109 10.251 -7.994 -12.407 1.00 0.00 H new ATOM 0 HA LEU A 109 7.511 -7.530 -12.506 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.930 -5.727 -12.854 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.296 -5.094 -12.873 1.00 0.00 H new ATOM 0 HG LEU A 109 9.448 -6.706 -10.579 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.674 -4.491 -9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 109 10.691 -4.570 -10.874 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.154 -3.672 -10.908 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.581 -5.752 -9.264 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.968 -4.950 -10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.999 -6.726 -10.636 1.00 0.00 H new ATOM 1835 N ASP A 110 9.022 -7.283 -15.415 1.00 0.00 N ATOM 1836 CA ASP A 110 8.852 -7.243 -16.859 1.00 0.00 C ATOM 1837 C ASP A 110 7.658 -8.104 -17.284 1.00 0.00 C ATOM 1838 O ASP A 110 6.692 -7.595 -17.855 1.00 0.00 O ATOM 1839 CB ASP A 110 10.146 -7.691 -17.547 1.00 0.00 C ATOM 1840 CG ASP A 110 9.939 -7.769 -19.057 1.00 0.00 C ATOM 1841 OD1 ASP A 110 9.869 -6.707 -19.714 1.00 0.00 O ATOM 1842 OD2 ASP A 110 9.775 -8.883 -19.594 1.00 0.00 O ATOM 0 H ASP A 110 9.978 -7.499 -15.134 1.00 0.00 H new ATOM 0 HA ASP A 110 8.641 -6.219 -17.168 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.950 -6.991 -17.318 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.452 -8.664 -17.164 1.00 0.00 H new ATOM 2059 N GLY A 125 17.087 -2.519 -20.907 1.00 0.00 N ATOM 2060 CA GLY A 125 16.917 -1.969 -19.566 1.00 0.00 C ATOM 2061 C GLY A 125 17.576 -2.813 -18.472 1.00 0.00 C ATOM 2062 O GLY A 125 18.067 -2.244 -17.497 1.00 0.00 O ATOM 0 HA2 GLY A 125 17.335 -0.963 -19.539 1.00 0.00 H new ATOM 0 HA3 GLY A 125 15.852 -1.878 -19.352 1.00 0.00 H new ATOM 2066 N ILE A 126 17.642 -4.140 -18.640 1.00 0.00 N ATOM 2067 CA ILE A 126 18.327 -5.034 -17.704 1.00 0.00 C ATOM 2068 C ILE A 126 19.483 -5.798 -18.348 1.00 0.00 C ATOM 2069 O ILE A 126 20.408 -6.184 -17.633 1.00 0.00 O ATOM 2070 CB ILE A 126 17.342 -5.969 -16.977 1.00 0.00 C ATOM 2071 CG1 ILE A 126 16.469 -6.816 -17.930 1.00 0.00 C ATOM 2072 CG2 ILE A 126 16.466 -5.173 -16.000 1.00 0.00 C ATOM 2073 CD1 ILE A 126 15.561 -7.791 -17.171 1.00 0.00 C ATOM 0 H ILE A 126 17.219 -4.623 -19.433 1.00 0.00 H new ATOM 0 HA ILE A 126 18.779 -4.394 -16.946 1.00 0.00 H new ATOM 0 HB ILE A 126 17.953 -6.680 -16.421 1.00 0.00 H new ATOM 0 HG12 ILE A 126 15.857 -6.155 -18.543 1.00 0.00 H new ATOM 0 HG13 ILE A 126 17.113 -7.375 -18.609 1.00 0.00 H new ATOM 0 HG21 ILE A 126 15.776 -5.850 -15.495 1.00 0.00 H new ATOM 0 HG22 ILE A 126 17.099 -4.682 -15.261 1.00 0.00 H new ATOM 0 HG23 ILE A 126 15.900 -4.421 -16.549 1.00 0.00 H new ATOM 0 HD11 ILE A 126 14.967 -8.364 -17.883 1.00 0.00 H new ATOM 0 HD12 ILE A 126 16.173 -8.471 -16.578 1.00 0.00 H new ATOM 0 HD13 ILE A 126 14.897 -7.232 -16.512 1.00 0.00 H new ATOM 2085 N LEU A 127 19.504 -5.960 -19.673 1.00 0.00 N ATOM 2086 CA LEU A 127 20.643 -6.547 -20.373 1.00 0.00 C ATOM 2087 C LEU A 127 21.888 -5.672 -20.207 1.00 0.00 C ATOM 2088 O LEU A 127 22.991 -6.209 -20.119 1.00 0.00 O ATOM 2089 CB LEU A 127 20.293 -6.764 -21.854 1.00 0.00 C ATOM 2090 CG LEU A 127 21.417 -7.405 -22.697 1.00 0.00 C ATOM 2091 CD1 LEU A 127 21.829 -8.790 -22.179 1.00 0.00 C ATOM 2092 CD2 LEU A 127 20.944 -7.534 -24.150 1.00 0.00 C ATOM 0 H LEU A 127 18.735 -5.689 -20.286 1.00 0.00 H new ATOM 0 HA LEU A 127 20.870 -7.519 -19.935 1.00 0.00 H new ATOM 0 HB2 LEU A 127 19.407 -7.396 -21.915 1.00 0.00 H new ATOM 0 HB3 LEU A 127 20.030 -5.803 -22.295 1.00 0.00 H new ATOM 0 HG LEU A 127 22.290 -6.756 -22.624 1.00 0.00 H new ATOM 0 HD11 LEU A 127 22.622 -9.193 -22.809 1.00 0.00 H new ATOM 0 HD12 LEU A 127 22.189 -8.703 -21.154 1.00 0.00 H new ATOM 0 HD13 LEU A 127 20.969 -9.459 -22.206 1.00 0.00 H new ATOM 0 HD21 LEU A 127 21.733 -7.986 -24.751 1.00 0.00 H new ATOM 0 HD22 LEU A 127 20.054 -8.162 -24.188 1.00 0.00 H new ATOM 0 HD23 LEU A 127 20.708 -6.546 -24.545 1.00 0.00 H new ATOM 2104 N LEU A 128 21.736 -4.344 -20.112 1.00 0.00 N ATOM 2105 CA LEU A 128 22.859 -3.470 -19.780 1.00 0.00 C ATOM 2106 C LEU A 128 23.394 -3.814 -18.390 1.00 0.00 C ATOM 2107 O LEU A 128 24.596 -3.997 -18.251 1.00 0.00 O ATOM 2108 CB LEU A 128 22.472 -1.984 -19.876 1.00 0.00 C ATOM 2109 CG LEU A 128 23.591 -1.023 -19.409 1.00 0.00 C ATOM 2110 CD1 LEU A 128 24.930 -1.221 -20.138 1.00 0.00 C ATOM 2111 CD2 LEU A 128 23.130 0.425 -19.607 1.00 0.00 C ATOM 0 H LEU A 128 20.851 -3.858 -20.260 1.00 0.00 H new ATOM 0 HA LEU A 128 23.650 -3.638 -20.511 1.00 0.00 H new ATOM 0 HB2 LEU A 128 22.211 -1.751 -20.908 1.00 0.00 H new ATOM 0 HB3 LEU A 128 21.580 -1.810 -19.275 1.00 0.00 H new ATOM 0 HG LEU A 128 23.769 -1.249 -18.358 1.00 0.00 H new ATOM 0 HD11 LEU A 128 25.662 -0.510 -19.754 1.00 0.00 H new ATOM 0 HD12 LEU A 128 25.288 -2.237 -19.971 1.00 0.00 H new ATOM 0 HD13 LEU A 128 24.790 -1.056 -21.206 1.00 0.00 H new ATOM 0 HD21 LEU A 128 23.916 1.105 -19.279 1.00 0.00 H new ATOM 0 HD22 LEU A 128 22.917 0.598 -20.662 1.00 0.00 H new ATOM 0 HD23 LEU A 128 22.228 0.603 -19.021 1.00 0.00 H new ATOM 2123 N ILE A 129 22.528 -3.951 -17.381 1.00 0.00 N ATOM 2124 CA ILE A 129 22.952 -4.285 -16.016 1.00 0.00 C ATOM 2125 C ILE A 129 23.710 -5.617 -16.054 1.00 0.00 C ATOM 2126 O ILE A 129 24.785 -5.742 -15.470 1.00 0.00 O ATOM 2127 CB ILE A 129 21.756 -4.368 -15.036 1.00 0.00 C ATOM 2128 CG1 ILE A 129 20.743 -3.215 -15.218 1.00 0.00 C ATOM 2129 CG2 ILE A 129 22.299 -4.391 -13.590 1.00 0.00 C ATOM 2130 CD1 ILE A 129 19.458 -3.440 -14.416 1.00 0.00 C ATOM 0 H ILE A 129 21.520 -3.835 -17.485 1.00 0.00 H new ATOM 0 HA ILE A 129 23.600 -3.490 -15.648 1.00 0.00 H new ATOM 0 HB ILE A 129 21.208 -5.285 -15.253 1.00 0.00 H new ATOM 0 HG12 ILE A 129 21.203 -2.277 -14.907 1.00 0.00 H new ATOM 0 HG13 ILE A 129 20.496 -3.114 -16.275 1.00 0.00 H new ATOM 0 HG21 ILE A 129 21.466 -4.449 -12.889 1.00 0.00 H new ATOM 0 HG22 ILE A 129 22.946 -5.258 -13.458 1.00 0.00 H new ATOM 0 HG23 ILE A 129 22.869 -3.481 -13.401 1.00 0.00 H new ATOM 0 HD11 ILE A 129 18.778 -2.603 -14.576 1.00 0.00 H new ATOM 0 HD12 ILE A 129 18.981 -4.363 -14.744 1.00 0.00 H new ATOM 0 HD13 ILE A 129 19.699 -3.513 -13.356 1.00 0.00 H new ATOM 2142 N ASP A 130 23.173 -6.598 -16.784 1.00 0.00 N ATOM 2143 CA ASP A 130 23.776 -7.917 -16.930 1.00 0.00 C ATOM 2144 C ASP A 130 25.156 -7.831 -17.593 1.00 0.00 C ATOM 2145 O ASP A 130 26.079 -8.528 -17.181 1.00 0.00 O ATOM 2146 CB ASP A 130 22.840 -8.817 -17.739 1.00 0.00 C ATOM 2147 CG ASP A 130 23.249 -10.287 -17.605 1.00 0.00 C ATOM 2148 OD1 ASP A 130 22.817 -10.917 -16.614 1.00 0.00 O ATOM 2149 OD2 ASP A 130 23.952 -10.820 -18.492 1.00 0.00 O ATOM 0 H ASP A 130 22.296 -6.493 -17.295 1.00 0.00 H new ATOM 0 HA ASP A 130 23.921 -8.346 -15.939 1.00 0.00 H new ATOM 0 HB2 ASP A 130 21.814 -8.687 -17.393 1.00 0.00 H new ATOM 0 HB3 ASP A 130 22.862 -8.523 -18.788 1.00 0.00 H new ATOM 2154 N SER A 131 25.318 -6.940 -18.575 1.00 0.00 N ATOM 2155 CA SER A 131 26.578 -6.719 -19.279 1.00 0.00 C ATOM 2156 C SER A 131 27.598 -5.960 -18.416 1.00 0.00 C ATOM 2157 O SER A 131 28.789 -6.275 -18.460 1.00 0.00 O ATOM 2158 CB SER A 131 26.307 -5.951 -20.580 1.00 0.00 C ATOM 2159 OG SER A 131 25.346 -6.619 -21.382 1.00 0.00 O ATOM 0 H SER A 131 24.561 -6.342 -18.907 1.00 0.00 H new ATOM 0 HA SER A 131 27.012 -7.693 -19.506 1.00 0.00 H new ATOM 0 HB2 SER A 131 25.953 -4.947 -20.345 1.00 0.00 H new ATOM 0 HB3 SER A 131 27.236 -5.839 -21.139 1.00 0.00 H new ATOM 0 HG SER A 131 24.445 -6.385 -21.076 1.00 0.00 H new ATOM 2165 N GLU A 132 27.151 -4.997 -17.602 1.00 0.00 N ATOM 2166 CA GLU A 132 28.010 -4.316 -16.637 1.00 0.00 C ATOM 2167 C GLU A 132 28.531 -5.350 -15.631 1.00 0.00 C ATOM 2168 O GLU A 132 29.713 -5.363 -15.279 1.00 0.00 O ATOM 2169 CB GLU A 132 27.246 -3.197 -15.898 1.00 0.00 C ATOM 2170 CG GLU A 132 26.887 -1.973 -16.756 1.00 0.00 C ATOM 2171 CD GLU A 132 28.127 -1.257 -17.301 1.00 0.00 C ATOM 2172 OE1 GLU A 132 28.810 -0.539 -16.537 1.00 0.00 O ATOM 2173 OE2 GLU A 132 28.467 -1.433 -18.490 1.00 0.00 O ATOM 0 H GLU A 132 26.185 -4.671 -17.596 1.00 0.00 H new ATOM 0 HA GLU A 132 28.842 -3.851 -17.167 1.00 0.00 H new ATOM 0 HB2 GLU A 132 26.327 -3.616 -15.488 1.00 0.00 H new ATOM 0 HB3 GLU A 132 27.849 -2.864 -15.053 1.00 0.00 H new ATOM 0 HG2 GLU A 132 26.258 -2.288 -17.588 1.00 0.00 H new ATOM 0 HG3 GLU A 132 26.300 -1.274 -16.160 1.00 0.00 H new ATOM 2180 N ILE A 133 27.648 -6.253 -15.196 1.00 0.00 N ATOM 2181 CA ILE A 133 27.989 -7.339 -14.295 1.00 0.00 C ATOM 2182 C ILE A 133 28.938 -8.327 -14.972 1.00 0.00 C ATOM 2183 O ILE A 133 29.916 -8.720 -14.339 1.00 0.00 O ATOM 2184 CB ILE A 133 26.686 -7.955 -13.723 1.00 0.00 C ATOM 2185 CG1 ILE A 133 26.095 -7.029 -12.636 1.00 0.00 C ATOM 2186 CG2 ILE A 133 26.831 -9.387 -13.187 1.00 0.00 C ATOM 2187 CD1 ILE A 133 26.925 -6.852 -11.365 1.00 0.00 C ATOM 0 H ILE A 133 26.665 -6.244 -15.468 1.00 0.00 H new ATOM 0 HA ILE A 133 28.551 -6.973 -13.436 1.00 0.00 H new ATOM 0 HB ILE A 133 26.003 -8.034 -14.569 1.00 0.00 H new ATOM 0 HG12 ILE A 133 25.933 -6.046 -13.077 1.00 0.00 H new ATOM 0 HG13 ILE A 133 25.116 -7.417 -12.353 1.00 0.00 H new ATOM 0 HG21 ILE A 133 25.869 -9.733 -12.808 1.00 0.00 H new ATOM 0 HG22 ILE A 133 27.162 -10.045 -13.991 1.00 0.00 H new ATOM 0 HG23 ILE A 133 27.565 -9.401 -12.381 1.00 0.00 H new ATOM 0 HD11 ILE A 133 26.405 -6.181 -10.681 1.00 0.00 H new ATOM 0 HD12 ILE A 133 27.067 -7.820 -10.885 1.00 0.00 H new ATOM 0 HD13 ILE A 133 27.896 -6.428 -11.621 1.00 0.00 H new ATOM 2199 N ALA A 134 28.736 -8.681 -16.245 1.00 0.00 N ATOM 2200 CA ALA A 134 29.668 -9.534 -16.971 1.00 0.00 C ATOM 2201 C ALA A 134 31.068 -8.914 -16.986 1.00 0.00 C ATOM 2202 O ALA A 134 32.040 -9.600 -16.671 1.00 0.00 O ATOM 2203 CB ALA A 134 29.156 -9.796 -18.392 1.00 0.00 C ATOM 0 H ALA A 134 27.928 -8.385 -16.793 1.00 0.00 H new ATOM 0 HA ALA A 134 29.737 -10.493 -16.458 1.00 0.00 H new ATOM 0 HB1 ALA A 134 29.863 -10.435 -18.922 1.00 0.00 H new ATOM 0 HB2 ALA A 134 28.186 -10.291 -18.344 1.00 0.00 H new ATOM 0 HB3 ALA A 134 29.054 -8.849 -18.922 1.00 0.00 H new ATOM 2209 N ARG A 135 31.186 -7.614 -17.285 1.00 0.00 N ATOM 2210 CA ARG A 135 32.483 -6.935 -17.228 1.00 0.00 C ATOM 2211 C ARG A 135 33.051 -6.963 -15.807 1.00 0.00 C ATOM 2212 O ARG A 135 34.249 -7.190 -15.641 1.00 0.00 O ATOM 2213 CB ARG A 135 32.373 -5.502 -17.775 1.00 0.00 C ATOM 2214 CG ARG A 135 33.769 -4.890 -18.004 1.00 0.00 C ATOM 2215 CD ARG A 135 33.721 -3.484 -18.615 1.00 0.00 C ATOM 2216 NE ARG A 135 33.138 -2.499 -17.683 1.00 0.00 N ATOM 2217 CZ ARG A 135 31.889 -2.016 -17.709 1.00 0.00 C ATOM 2218 NH1 ARG A 135 31.036 -2.371 -18.664 1.00 0.00 N ATOM 2219 NH2 ARG A 135 31.490 -1.177 -16.761 1.00 0.00 N ATOM 0 H ARG A 135 30.407 -7.018 -17.566 1.00 0.00 H new ATOM 0 HA ARG A 135 33.183 -7.473 -17.866 1.00 0.00 H new ATOM 0 HB2 ARG A 135 31.816 -5.508 -18.712 1.00 0.00 H new ATOM 0 HB3 ARG A 135 31.811 -4.884 -17.075 1.00 0.00 H new ATOM 0 HG2 ARG A 135 34.300 -4.848 -17.053 1.00 0.00 H new ATOM 0 HG3 ARG A 135 34.342 -5.545 -18.660 1.00 0.00 H new ATOM 0 HD2 ARG A 135 34.729 -3.172 -18.889 1.00 0.00 H new ATOM 0 HD3 ARG A 135 33.134 -3.507 -19.533 1.00 0.00 H new ATOM 0 HE ARG A 135 33.748 -2.151 -16.944 1.00 0.00 H new ATOM 0 HH11 ARG A 135 31.329 -3.021 -19.393 1.00 0.00 H new ATOM 0 HH12 ARG A 135 30.089 -1.993 -18.668 1.00 0.00 H new ATOM 0 HH21 ARG A 135 32.133 -0.904 -16.018 1.00 0.00 H new ATOM 0 HH22 ARG A 135 30.540 -0.806 -16.775 1.00 0.00 H new ATOM 2233 N THR A 136 32.217 -6.780 -14.784 1.00 0.00 N ATOM 2234 CA THR A 136 32.656 -6.837 -13.394 1.00 0.00 C ATOM 2235 C THR A 136 33.189 -8.243 -13.047 1.00 0.00 C ATOM 2236 O THR A 136 34.231 -8.341 -12.400 1.00 0.00 O ATOM 2237 CB THR A 136 31.518 -6.364 -12.470 1.00 0.00 C ATOM 2238 OG1 THR A 136 31.075 -5.067 -12.846 1.00 0.00 O ATOM 2239 CG2 THR A 136 31.962 -6.266 -11.007 1.00 0.00 C ATOM 0 H THR A 136 31.221 -6.589 -14.897 1.00 0.00 H new ATOM 0 HA THR A 136 33.493 -6.156 -13.240 1.00 0.00 H new ATOM 0 HB THR A 136 30.725 -7.105 -12.570 1.00 0.00 H new ATOM 0 HG1 THR A 136 30.592 -5.120 -13.697 1.00 0.00 H new ATOM 0 HG21 THR A 136 31.126 -5.929 -10.395 1.00 0.00 H new ATOM 0 HG22 THR A 136 32.293 -7.245 -10.661 1.00 0.00 H new ATOM 0 HG23 THR A 136 32.783 -5.554 -10.923 1.00 0.00 H new ATOM 2247 N TYR A 137 32.548 -9.327 -13.510 1.00 0.00 N ATOM 2248 CA TYR A 137 33.067 -10.689 -13.355 1.00 0.00 C ATOM 2249 C TYR A 137 34.390 -10.858 -14.111 1.00 0.00 C ATOM 2250 O TYR A 137 35.318 -11.481 -13.590 1.00 0.00 O ATOM 2251 CB TYR A 137 32.052 -11.723 -13.882 1.00 0.00 C ATOM 2252 CG TYR A 137 31.038 -12.243 -12.877 1.00 0.00 C ATOM 2253 CD1 TYR A 137 31.427 -13.216 -11.935 1.00 0.00 C ATOM 2254 CD2 TYR A 137 29.694 -11.827 -12.932 1.00 0.00 C ATOM 2255 CE1 TYR A 137 30.481 -13.774 -11.056 1.00 0.00 C ATOM 2256 CE2 TYR A 137 28.741 -12.376 -12.054 1.00 0.00 C ATOM 2257 CZ TYR A 137 29.131 -13.356 -11.112 1.00 0.00 C ATOM 2258 OH TYR A 137 28.221 -13.902 -10.255 1.00 0.00 O ATOM 0 H TYR A 137 31.656 -9.281 -14.002 1.00 0.00 H new ATOM 0 HA TYR A 137 33.236 -10.857 -12.291 1.00 0.00 H new ATOM 0 HB2 TYR A 137 31.510 -11.276 -14.715 1.00 0.00 H new ATOM 0 HB3 TYR A 137 32.605 -12.573 -14.281 1.00 0.00 H new ATOM 0 HD1 TYR A 137 32.458 -13.535 -11.888 1.00 0.00 H new ATOM 0 HD2 TYR A 137 29.392 -11.082 -13.653 1.00 0.00 H new ATOM 0 HE1 TYR A 137 30.786 -14.522 -10.338 1.00 0.00 H new ATOM 0 HE2 TYR A 137 27.713 -12.049 -12.100 1.00 0.00 H new ATOM 0 HH TYR A 137 27.339 -13.508 -10.420 1.00 0.00 H new ATOM 2268 N LEU A 138 34.476 -10.328 -15.338 1.00 0.00 N ATOM 2269 CA LEU A 138 35.650 -10.467 -16.197 1.00 0.00 C ATOM 2270 C LEU A 138 36.868 -9.764 -15.594 1.00 0.00 C ATOM 2271 O LEU A 138 37.985 -10.244 -15.770 1.00 0.00 O ATOM 2272 CB LEU A 138 35.331 -9.917 -17.599 1.00 0.00 C ATOM 2273 CG LEU A 138 36.472 -10.063 -18.626 1.00 0.00 C ATOM 2274 CD1 LEU A 138 36.872 -11.526 -18.853 1.00 0.00 C ATOM 2275 CD2 LEU A 138 36.031 -9.441 -19.955 1.00 0.00 C ATOM 0 H LEU A 138 33.723 -9.786 -15.763 1.00 0.00 H new ATOM 0 HA LEU A 138 35.899 -11.525 -16.280 1.00 0.00 H new ATOM 0 HB2 LEU A 138 34.448 -10.429 -17.982 1.00 0.00 H new ATOM 0 HB3 LEU A 138 35.074 -8.861 -17.510 1.00 0.00 H new ATOM 0 HG LEU A 138 37.346 -9.547 -18.228 1.00 0.00 H new ATOM 0 HD11 LEU A 138 37.679 -11.573 -19.584 1.00 0.00 H new ATOM 0 HD12 LEU A 138 37.209 -11.961 -17.912 1.00 0.00 H new ATOM 0 HD13 LEU A 138 36.013 -12.085 -19.224 1.00 0.00 H new ATOM 0 HD21 LEU A 138 36.833 -9.540 -20.687 1.00 0.00 H new ATOM 0 HD22 LEU A 138 35.141 -9.954 -20.320 1.00 0.00 H new ATOM 0 HD23 LEU A 138 35.805 -8.385 -19.805 1.00 0.00 H new