USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 901 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 79 CYS SG : rot -133:sc= 0.78 USER MOD Set 1.2: A 83 ASN : amide:sc= 0.0381 X(o=0.82,f=0.7) USER MOD Set 2.1: A 56 ASN : amide:sc= 0.167 K(o=-0.017,f=-1.3) USER MOD Set 2.2: A 62 TYR OH : rot -12:sc= -0.184 USER MOD Set 3.1: A 20 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Set 3.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 14 LYS NZ :NH3+ 160:sc= 0.89 (180deg=-0.0915) USER MOD Set 4.2: A 15 THR OG1 : rot 75:sc= 0.472 USER MOD Set 4.3: A 18 GLN : amide:sc= -2.8! K(o=-7.2!,f=-2.3) USER MOD Set 4.4: A 106 GLN : amide:sc= -6.57! C(o=-7.2!,f=-12!) USER MOD Set 4.5: A 110 GLN : amide:sc= 0.844 X(o=-7.2,f=-7.2) USER MOD Single : A 6 SER OG : rot 31:sc= 0.251 USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0663) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.45 X(o=-1.4,f=-1) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 168:sc= -0.0322 (180deg=-0.299) USER MOD Single : A 52 THR OG1 : rot 136:sc= 1.03 USER MOD Single : A 53 MET CE :methyl -156:sc= -0.45 (180deg=-0.942) USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= -0.0601 (180deg=-0.322) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.683 K(o=0.68,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.766 X(o=-0.77,f=-0.33) USER MOD Single : A 77 SER OG : rot -151:sc= -0.83 USER MOD Single : A 78 ASN : amide:sc= -3.4 K(o=-3.4,f=-4.4!) USER MOD Single : A 81 LYS NZ :NH3+ 141:sc= -0.234 (180deg=-1.59!) USER MOD Single : A 82 TYR OH : rot 60:sc= -1.34 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -36:sc= 1.03 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.795 K(o=-0.8,f=-5.9!) USER MOD Single : A 113 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0485) USER MOD Single : A 114 MET CE :methyl 167:sc= 0 (180deg=-0.158) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 0.090 20.201 2.533 1.00 0.00 N ATOM 49 CA SER A 6 0.172 19.360 3.721 1.00 0.00 C ATOM 50 C SER A 6 -1.087 18.512 3.874 1.00 0.00 C ATOM 51 O SER A 6 -1.014 17.294 4.036 1.00 0.00 O ATOM 52 CB SER A 6 0.375 20.220 4.969 1.00 0.00 C ATOM 53 OG SER A 6 1.353 21.221 4.745 1.00 0.00 O ATOM 0 HA SER A 6 1.027 18.694 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.569 20.686 5.251 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.680 19.589 5.804 1.00 0.00 H new ATOM 0 HG SER A 6 1.338 21.488 3.802 1.00 0.00 H new ATOM 59 N GLY A 7 -2.243 19.166 3.820 1.00 0.00 N ATOM 60 CA GLY A 7 -3.503 18.458 3.955 1.00 0.00 C ATOM 61 C GLY A 7 -3.491 17.116 3.250 1.00 0.00 C ATOM 62 O GLY A 7 -3.887 16.101 3.826 1.00 0.00 O ATOM 0 H GLY A 7 -2.330 20.173 3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.721 18.308 5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.307 19.072 3.548 1.00 0.00 H new ATOM 66 N PHE A 8 -3.040 17.109 2.001 1.00 0.00 N ATOM 67 CA PHE A 8 -2.981 15.881 1.217 1.00 0.00 C ATOM 68 C PHE A 8 -2.130 14.827 1.918 1.00 0.00 C ATOM 69 O PHE A 8 -2.459 13.639 1.908 1.00 0.00 O ATOM 70 CB PHE A 8 -2.414 16.166 -0.176 1.00 0.00 C ATOM 71 CG PHE A 8 -2.241 14.934 -1.017 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.343 14.256 -1.512 1.00 0.00 C ATOM 73 CD2 PHE A 8 -0.975 14.454 -1.314 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.186 13.122 -2.285 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.812 13.320 -2.088 1.00 0.00 C ATOM 76 CZ PHE A 8 -1.919 12.654 -2.575 1.00 0.00 C ATOM 0 H PHE A 8 -2.710 17.940 1.510 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.996 15.495 1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.076 16.860 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.450 16.663 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.336 14.618 -1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.106 14.972 -0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.054 12.601 -2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.180 12.956 -2.311 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.795 11.769 -3.181 1.00 0.00 H new ATOM 86 N LEU A 9 -1.035 15.269 2.528 1.00 0.00 N ATOM 87 CA LEU A 9 -0.136 14.364 3.235 1.00 0.00 C ATOM 88 C LEU A 9 -0.867 13.638 4.359 1.00 0.00 C ATOM 89 O LEU A 9 -0.785 12.415 4.477 1.00 0.00 O ATOM 90 CB LEU A 9 1.055 15.139 3.802 1.00 0.00 C ATOM 91 CG LEU A 9 1.793 16.050 2.822 1.00 0.00 C ATOM 92 CD1 LEU A 9 3.101 16.537 3.424 1.00 0.00 C ATOM 93 CD2 LEU A 9 2.047 15.324 1.508 1.00 0.00 C ATOM 0 H LEU A 9 -0.749 16.248 2.547 1.00 0.00 H new ATOM 0 HA LEU A 9 0.226 13.621 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.703 15.746 4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.769 14.422 4.208 1.00 0.00 H new ATOM 0 HG LEU A 9 1.165 16.918 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.611 17.184 2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.896 17.095 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.735 15.682 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.573 15.987 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.654 14.438 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.096 15.026 1.067 1.00 0.00 H new ATOM 105 N ILE A 10 -1.584 14.398 5.180 1.00 0.00 N ATOM 106 CA ILE A 10 -2.331 13.826 6.292 1.00 0.00 C ATOM 107 C ILE A 10 -3.228 12.685 5.822 1.00 0.00 C ATOM 108 O ILE A 10 -3.134 11.562 6.319 1.00 0.00 O ATOM 109 CB ILE A 10 -3.198 14.888 6.994 1.00 0.00 C ATOM 110 CG1 ILE A 10 -2.310 15.933 7.674 1.00 0.00 C ATOM 111 CG2 ILE A 10 -4.124 14.232 8.008 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.944 17.092 6.774 1.00 0.00 C ATOM 0 H ILE A 10 -1.663 15.411 5.096 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.597 13.441 7.000 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.810 15.389 6.244 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.824 16.316 8.556 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.396 15.451 8.022 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.730 14.996 8.495 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.776 13.522 7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.530 13.708 8.757 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.314 17.793 7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.402 16.720 5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.852 17.599 6.447 1.00 0.00 H new ATOM 124 N LEU A 11 -4.096 12.980 4.861 1.00 0.00 N ATOM 125 CA LEU A 11 -5.009 11.978 4.321 1.00 0.00 C ATOM 126 C LEU A 11 -4.285 10.660 4.070 1.00 0.00 C ATOM 127 O LEU A 11 -4.717 9.603 4.531 1.00 0.00 O ATOM 128 CB LEU A 11 -5.641 12.482 3.022 1.00 0.00 C ATOM 129 CG LEU A 11 -6.584 11.510 2.313 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.824 11.260 3.156 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.968 12.044 0.941 1.00 0.00 C ATOM 0 H LEU A 11 -4.187 13.904 4.440 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.795 11.805 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.192 13.397 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.841 12.749 2.332 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.064 10.562 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.484 10.566 2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.532 10.833 4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.347 12.202 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.640 11.339 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.469 13.005 1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.070 12.171 0.336 1.00 0.00 H new ATOM 143 N LEU A 12 -3.179 10.729 3.335 1.00 0.00 N ATOM 144 CA LEU A 12 -2.392 9.541 3.023 1.00 0.00 C ATOM 145 C LEU A 12 -2.005 8.795 4.296 1.00 0.00 C ATOM 146 O LEU A 12 -2.191 7.583 4.398 1.00 0.00 O ATOM 147 CB LEU A 12 -1.134 9.929 2.243 1.00 0.00 C ATOM 148 CG LEU A 12 -1.360 10.733 0.963 1.00 0.00 C ATOM 149 CD1 LEU A 12 -0.034 11.215 0.394 1.00 0.00 C ATOM 150 CD2 LEU A 12 -2.113 9.900 -0.064 1.00 0.00 C ATOM 0 H LEU A 12 -2.808 11.595 2.945 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.004 8.881 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.486 10.507 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.595 9.017 1.985 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.965 11.606 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.215 11.785 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.467 11.849 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.597 10.356 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.265 10.488 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.534 9.008 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.080 9.606 0.344 1.00 0.00 H new ATOM 162 N ARG A 13 -1.467 9.528 5.266 1.00 0.00 N ATOM 163 CA ARG A 13 -1.054 8.936 6.532 1.00 0.00 C ATOM 164 C ARG A 13 -2.220 8.209 7.197 1.00 0.00 C ATOM 165 O ARG A 13 -2.094 7.054 7.606 1.00 0.00 O ATOM 166 CB ARG A 13 -0.510 10.014 7.470 1.00 0.00 C ATOM 167 CG ARG A 13 0.823 10.593 7.024 1.00 0.00 C ATOM 168 CD ARG A 13 1.235 11.774 7.889 1.00 0.00 C ATOM 169 NE ARG A 13 2.581 12.243 7.570 1.00 0.00 N ATOM 170 CZ ARG A 13 3.338 12.933 8.416 1.00 0.00 C ATOM 171 NH1 ARG A 13 2.884 13.233 9.625 1.00 0.00 N ATOM 172 NH2 ARG A 13 4.553 13.324 8.052 1.00 0.00 N ATOM 0 H ARG A 13 -1.307 10.533 5.199 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.266 8.212 6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.240 10.820 7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.397 9.592 8.469 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.591 9.821 7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.753 10.910 5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.525 12.589 7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.191 11.487 8.940 1.00 0.00 H new ATOM 0 HE ARG A 13 2.960 12.029 6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.951 12.934 9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.468 13.763 10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.905 13.095 7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.134 13.854 8.702 1.00 0.00 H new ATOM 186 N LYS A 14 -3.353 8.894 7.304 1.00 0.00 N ATOM 187 CA LYS A 14 -4.543 8.315 7.918 1.00 0.00 C ATOM 188 C LYS A 14 -4.988 7.064 7.169 1.00 0.00 C ATOM 189 O LYS A 14 -5.351 6.057 7.779 1.00 0.00 O ATOM 190 CB LYS A 14 -5.680 9.340 7.943 1.00 0.00 C ATOM 191 CG LYS A 14 -7.027 8.744 8.312 1.00 0.00 C ATOM 192 CD LYS A 14 -7.786 8.276 7.081 1.00 0.00 C ATOM 193 CE LYS A 14 -8.402 9.445 6.329 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.126 8.998 5.106 1.00 0.00 N ATOM 0 H LYS A 14 -3.473 9.851 6.973 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.293 8.034 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.433 10.127 8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.756 9.810 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.881 7.904 8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.620 9.486 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.110 7.732 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.570 7.580 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.091 9.976 6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.619 10.151 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.799 9.735 4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.443 8.828 4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.643 8.119 5.310 1.00 0.00 H new ATOM 208 N THR A 15 -4.958 7.131 5.842 1.00 0.00 N ATOM 209 CA THR A 15 -5.358 6.004 5.009 1.00 0.00 C ATOM 210 C THR A 15 -4.431 4.812 5.214 1.00 0.00 C ATOM 211 O THR A 15 -4.883 3.701 5.494 1.00 0.00 O ATOM 212 CB THR A 15 -5.366 6.383 3.516 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.304 7.440 3.284 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.724 5.182 2.654 1.00 0.00 C ATOM 0 H THR A 15 -4.660 7.955 5.320 1.00 0.00 H new ATOM 0 HA THR A 15 -6.369 5.731 5.312 1.00 0.00 H new ATOM 0 HB THR A 15 -4.365 6.719 3.244 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.933 8.285 3.614 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.723 5.475 1.604 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.991 4.390 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.714 4.819 2.929 1.00 0.00 H new ATOM 222 N LEU A 16 -3.131 5.050 5.074 1.00 0.00 N ATOM 223 CA LEU A 16 -2.138 3.994 5.245 1.00 0.00 C ATOM 224 C LEU A 16 -2.423 3.177 6.501 1.00 0.00 C ATOM 225 O LEU A 16 -2.250 1.959 6.514 1.00 0.00 O ATOM 226 CB LEU A 16 -0.734 4.596 5.322 1.00 0.00 C ATOM 227 CG LEU A 16 0.383 3.641 5.744 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.588 2.562 4.691 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.677 4.406 5.983 1.00 0.00 C ATOM 0 H LEU A 16 -2.740 5.963 4.843 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.196 3.331 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.483 5.008 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.756 5.430 6.023 1.00 0.00 H new ATOM 0 HG LEU A 16 0.090 3.160 6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.387 1.891 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.334 1.995 4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.859 3.026 3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.461 3.710 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.974 4.914 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.524 5.142 6.772 1.00 0.00 H new ATOM 241 N GLU A 17 -2.863 3.856 7.556 1.00 0.00 N ATOM 242 CA GLU A 17 -3.173 3.192 8.817 1.00 0.00 C ATOM 243 C GLU A 17 -4.412 2.310 8.676 1.00 0.00 C ATOM 244 O GLU A 17 -4.395 1.138 9.048 1.00 0.00 O ATOM 245 CB GLU A 17 -3.393 4.225 9.923 1.00 0.00 C ATOM 246 CG GLU A 17 -2.124 4.953 10.337 1.00 0.00 C ATOM 247 CD GLU A 17 -2.231 5.574 11.716 1.00 0.00 C ATOM 248 OE1 GLU A 17 -2.978 5.028 12.555 1.00 0.00 O ATOM 249 OE2 GLU A 17 -1.569 6.604 11.956 1.00 0.00 O ATOM 0 H GLU A 17 -3.013 4.865 7.562 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.326 2.560 9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.127 4.956 9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.817 3.727 10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.287 4.255 10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.902 5.732 9.608 1.00 0.00 H new ATOM 256 N GLN A 18 -5.483 2.886 8.139 1.00 0.00 N ATOM 257 CA GLN A 18 -6.729 2.153 7.951 1.00 0.00 C ATOM 258 C GLN A 18 -6.472 0.800 7.294 1.00 0.00 C ATOM 259 O GLN A 18 -6.991 -0.226 7.738 1.00 0.00 O ATOM 260 CB GLN A 18 -7.702 2.970 7.099 1.00 0.00 C ATOM 261 CG GLN A 18 -8.281 4.174 7.823 1.00 0.00 C ATOM 262 CD GLN A 18 -9.656 4.557 7.310 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.673 4.063 7.797 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.693 5.443 6.322 1.00 0.00 N ATOM 0 H GLN A 18 -5.513 3.857 7.827 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.171 1.981 8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.188 3.310 6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.518 2.324 6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.343 3.957 8.889 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.605 5.022 7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.825 5.827 5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.589 5.740 5.937 1.00 0.00 H new ATOM 273 N LEU A 19 -5.668 0.805 6.237 1.00 0.00 N ATOM 274 CA LEU A 19 -5.342 -0.422 5.518 1.00 0.00 C ATOM 275 C LEU A 19 -4.720 -1.453 6.455 1.00 0.00 C ATOM 276 O LEU A 19 -5.132 -2.612 6.480 1.00 0.00 O ATOM 277 CB LEU A 19 -4.385 -0.122 4.364 1.00 0.00 C ATOM 278 CG LEU A 19 -4.979 0.646 3.183 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.884 1.365 2.409 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.751 -0.294 2.269 1.00 0.00 C ATOM 0 H LEU A 19 -5.230 1.645 5.859 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.267 -0.835 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.543 0.448 4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.986 -1.067 3.994 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.672 1.393 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.325 1.906 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.375 2.068 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.167 0.636 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.167 0.270 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.080 -1.064 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.560 -0.763 2.829 1.00 0.00 H new ATOM 292 N GLN A 20 -3.726 -1.020 7.226 1.00 0.00 N ATOM 293 CA GLN A 20 -3.048 -1.906 8.166 1.00 0.00 C ATOM 294 C GLN A 20 -4.053 -2.761 8.931 1.00 0.00 C ATOM 295 O GLN A 20 -3.929 -3.984 8.982 1.00 0.00 O ATOM 296 CB GLN A 20 -2.203 -1.091 9.147 1.00 0.00 C ATOM 297 CG GLN A 20 -1.033 -0.376 8.492 1.00 0.00 C ATOM 298 CD GLN A 20 0.146 -0.205 9.430 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.310 0.844 10.055 1.00 0.00 O ATOM 300 NE2 GLN A 20 0.975 -1.236 9.533 1.00 0.00 N ATOM 0 H GLN A 20 -3.373 -0.063 7.218 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.395 -2.568 7.597 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.840 -0.355 9.638 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.824 -1.754 9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.715 -0.937 7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.360 0.604 8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.801 -2.086 8.997 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.786 -1.179 10.148 1.00 0.00 H new ATOM 309 N GLU A 21 -5.048 -2.107 9.524 1.00 0.00 N ATOM 310 CA GLU A 21 -6.074 -2.809 10.288 1.00 0.00 C ATOM 311 C GLU A 21 -6.439 -4.131 9.619 1.00 0.00 C ATOM 312 O GLU A 21 -6.535 -5.167 10.278 1.00 0.00 O ATOM 313 CB GLU A 21 -7.322 -1.935 10.431 1.00 0.00 C ATOM 314 CG GLU A 21 -7.088 -0.670 11.240 1.00 0.00 C ATOM 315 CD GLU A 21 -6.945 -0.944 12.724 1.00 0.00 C ATOM 316 OE1 GLU A 21 -6.078 -1.764 13.095 1.00 0.00 O ATOM 317 OE2 GLU A 21 -7.700 -0.339 13.514 1.00 0.00 O ATOM 0 H GLU A 21 -5.165 -1.094 9.490 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.673 -3.021 11.279 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.679 -1.661 9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.112 -2.518 10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.188 -0.173 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.918 0.018 11.080 1.00 0.00 H new ATOM 324 N LYS A 22 -6.643 -4.089 8.307 1.00 0.00 N ATOM 325 CA LYS A 22 -6.998 -5.281 7.548 1.00 0.00 C ATOM 326 C LYS A 22 -5.986 -6.398 7.784 1.00 0.00 C ATOM 327 O LYS A 22 -6.358 -7.552 7.993 1.00 0.00 O ATOM 328 CB LYS A 22 -7.075 -4.956 6.054 1.00 0.00 C ATOM 329 CG LYS A 22 -7.989 -3.787 5.733 1.00 0.00 C ATOM 330 CD LYS A 22 -9.443 -4.120 6.023 1.00 0.00 C ATOM 331 CE LYS A 22 -10.263 -2.863 6.275 1.00 0.00 C ATOM 332 NZ LYS A 22 -9.987 -2.280 7.617 1.00 0.00 N ATOM 0 H LYS A 22 -6.568 -3.240 7.747 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.975 -5.621 7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.073 -4.735 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.424 -5.838 5.516 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.690 -2.918 6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.879 -3.516 4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.866 -4.669 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.501 -4.774 6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.040 -2.124 5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.324 -3.099 6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.700 -1.555 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.026 -3.030 8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.041 -1.847 7.620 1.00 0.00 H new ATOM 346 N ASP A 23 -4.705 -6.045 7.752 1.00 0.00 N ATOM 347 CA ASP A 23 -3.640 -7.018 7.965 1.00 0.00 C ATOM 348 C ASP A 23 -3.567 -7.431 9.432 1.00 0.00 C ATOM 349 O ASP A 23 -2.880 -6.798 10.234 1.00 0.00 O ATOM 350 CB ASP A 23 -2.296 -6.440 7.518 1.00 0.00 C ATOM 351 CG ASP A 23 -1.229 -7.506 7.368 1.00 0.00 C ATOM 352 OD1 ASP A 23 -1.590 -8.678 7.131 1.00 0.00 O ATOM 353 OD2 ASP A 23 -0.032 -7.169 7.488 1.00 0.00 O ATOM 0 H ASP A 23 -4.380 -5.094 7.581 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.864 -7.902 7.368 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.424 -5.922 6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.964 -5.697 8.243 1.00 0.00 H new ATOM 358 N THR A 24 -4.280 -8.498 9.777 1.00 0.00 N ATOM 359 CA THR A 24 -4.300 -8.995 11.146 1.00 0.00 C ATOM 360 C THR A 24 -3.047 -9.809 11.453 1.00 0.00 C ATOM 361 O THR A 24 -2.682 -9.991 12.613 1.00 0.00 O ATOM 362 CB THR A 24 -5.541 -9.866 11.411 1.00 0.00 C ATOM 363 OG1 THR A 24 -5.529 -11.012 10.553 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.819 -9.070 11.186 1.00 0.00 C ATOM 0 H THR A 24 -4.852 -9.035 9.126 1.00 0.00 H new ATOM 0 HA THR A 24 -4.333 -8.122 11.798 1.00 0.00 H new ATOM 0 HB THR A 24 -5.513 -10.192 12.451 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.321 -11.561 10.730 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.683 -9.706 11.379 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.839 -8.215 11.862 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.851 -8.718 10.155 1.00 0.00 H new ATOM 372 N GLY A 25 -2.392 -10.297 10.404 1.00 0.00 N ATOM 373 CA GLY A 25 -1.187 -11.086 10.583 1.00 0.00 C ATOM 374 C GLY A 25 0.069 -10.238 10.561 1.00 0.00 C ATOM 375 O GLY A 25 1.141 -10.695 10.954 1.00 0.00 O ATOM 0 H GLY A 25 -2.674 -10.160 9.433 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.244 -11.621 11.531 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.128 -11.838 9.796 1.00 0.00 H new ATOM 379 N ASN A 26 -0.063 -8.999 10.099 1.00 0.00 N ATOM 380 CA ASN A 26 1.071 -8.085 10.026 1.00 0.00 C ATOM 381 C ASN A 26 2.187 -8.672 9.165 1.00 0.00 C ATOM 382 O ASN A 26 3.365 -8.379 9.374 1.00 0.00 O ATOM 383 CB ASN A 26 1.600 -7.781 11.429 1.00 0.00 C ATOM 384 CG ASN A 26 0.490 -7.684 12.456 1.00 0.00 C ATOM 385 OD1 ASN A 26 -0.364 -6.800 12.383 1.00 0.00 O ATOM 386 ND2 ASN A 26 0.496 -8.596 13.423 1.00 0.00 N ATOM 0 H ASN A 26 -0.944 -8.605 9.769 1.00 0.00 H new ATOM 0 HA ASN A 26 0.730 -7.158 9.566 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.300 -8.561 11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.156 -6.844 11.410 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.226 -8.581 14.143 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.223 -9.311 13.445 1.00 0.00 H new ATOM 393 N ILE A 27 1.808 -9.500 8.197 1.00 0.00 N ATOM 394 CA ILE A 27 2.775 -10.126 7.306 1.00 0.00 C ATOM 395 C ILE A 27 3.455 -9.089 6.418 1.00 0.00 C ATOM 396 O ILE A 27 4.652 -9.179 6.144 1.00 0.00 O ATOM 397 CB ILE A 27 2.112 -11.192 6.415 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.449 -12.268 7.277 1.00 0.00 C ATOM 399 CG2 ILE A 27 3.137 -11.814 5.478 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.645 -13.271 6.480 1.00 0.00 C ATOM 0 H ILE A 27 0.837 -9.752 8.010 1.00 0.00 H new ATOM 0 HA ILE A 27 3.522 -10.606 7.938 1.00 0.00 H new ATOM 0 HB ILE A 27 1.343 -10.711 5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.219 -12.796 7.840 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.796 -11.787 8.005 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.652 -12.565 4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.567 -11.039 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.928 -12.283 6.064 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.204 -14.003 7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.147 -12.754 5.938 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.298 -13.779 5.770 1.00 0.00 H new ATOM 412 N PHE A 28 2.684 -8.103 5.971 1.00 0.00 N ATOM 413 CA PHE A 28 3.211 -7.047 5.114 1.00 0.00 C ATOM 414 C PHE A 28 3.592 -5.819 5.936 1.00 0.00 C ATOM 415 O PHE A 28 4.204 -4.882 5.425 1.00 0.00 O ATOM 416 CB PHE A 28 2.181 -6.663 4.050 1.00 0.00 C ATOM 417 CG PHE A 28 1.300 -7.804 3.628 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.204 -8.169 4.393 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.569 -8.511 2.468 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.608 -9.219 4.008 1.00 0.00 C ATOM 421 CE2 PHE A 28 0.759 -9.562 2.078 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.331 -9.916 2.848 1.00 0.00 C ATOM 0 H PHE A 28 1.691 -8.013 6.188 1.00 0.00 H new ATOM 0 HA PHE A 28 4.107 -7.426 4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.557 -5.856 4.434 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.702 -6.274 3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.018 -7.627 5.300 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.420 -8.239 1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.459 -9.494 4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.979 -10.106 1.171 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.965 -10.736 2.544 1.00 0.00 H new ATOM 432 N SER A 29 3.225 -5.833 7.214 1.00 0.00 N ATOM 433 CA SER A 29 3.524 -4.719 8.107 1.00 0.00 C ATOM 434 C SER A 29 5.029 -4.491 8.205 1.00 0.00 C ATOM 435 O SER A 29 5.480 -3.466 8.715 1.00 0.00 O ATOM 436 CB SER A 29 2.945 -4.984 9.498 1.00 0.00 C ATOM 437 OG SER A 29 2.600 -3.771 10.145 1.00 0.00 O ATOM 0 H SER A 29 2.721 -6.603 7.654 1.00 0.00 H new ATOM 0 HA SER A 29 3.064 -3.821 7.695 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.063 -5.619 9.414 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.672 -5.528 10.101 1.00 0.00 H new ATOM 0 HG SER A 29 2.231 -3.967 11.031 1.00 0.00 H new ATOM 443 N GLU A 30 5.801 -5.454 7.712 1.00 0.00 N ATOM 444 CA GLU A 30 7.256 -5.359 7.744 1.00 0.00 C ATOM 445 C GLU A 30 7.863 -5.838 6.429 1.00 0.00 C ATOM 446 O GLU A 30 7.299 -6.676 5.725 1.00 0.00 O ATOM 447 CB GLU A 30 7.818 -6.181 8.907 1.00 0.00 C ATOM 448 CG GLU A 30 7.121 -5.917 10.231 1.00 0.00 C ATOM 449 CD GLU A 30 7.954 -6.343 11.424 1.00 0.00 C ATOM 450 OE1 GLU A 30 8.452 -7.489 11.420 1.00 0.00 O ATOM 451 OE2 GLU A 30 8.109 -5.533 12.361 1.00 0.00 O ATOM 0 H GLU A 30 5.443 -6.309 7.286 1.00 0.00 H new ATOM 0 HA GLU A 30 7.522 -4.312 7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.733 -7.241 8.666 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.880 -5.963 9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.894 -4.854 10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.169 -6.448 10.249 1.00 0.00 H new ATOM 458 N PRO A 31 9.040 -5.294 6.088 1.00 0.00 N ATOM 459 CA PRO A 31 9.749 -5.650 4.856 1.00 0.00 C ATOM 460 C PRO A 31 10.307 -7.069 4.897 1.00 0.00 C ATOM 461 O PRO A 31 10.863 -7.500 5.907 1.00 0.00 O ATOM 462 CB PRO A 31 10.890 -4.630 4.795 1.00 0.00 C ATOM 463 CG PRO A 31 11.117 -4.230 6.212 1.00 0.00 C ATOM 464 CD PRO A 31 9.770 -4.289 6.879 1.00 0.00 C ATOM 0 HA PRO A 31 9.091 -5.628 3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.788 -5.066 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.621 -3.772 4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.824 -4.902 6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.539 -3.227 6.272 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.852 -4.584 7.925 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.269 -3.321 6.859 1.00 0.00 H new ATOM 472 N VAL A 32 10.154 -7.792 3.792 1.00 0.00 N ATOM 473 CA VAL A 32 10.644 -9.162 3.701 1.00 0.00 C ATOM 474 C VAL A 32 12.168 -9.205 3.726 1.00 0.00 C ATOM 475 O VAL A 32 12.844 -8.568 2.919 1.00 0.00 O ATOM 476 CB VAL A 32 10.143 -9.854 2.418 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.645 -11.288 2.355 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.624 -9.808 2.348 1.00 0.00 C ATOM 0 H VAL A 32 9.695 -7.452 2.947 1.00 0.00 H new ATOM 0 HA VAL A 32 10.254 -9.695 4.569 1.00 0.00 H new ATOM 0 HB VAL A 32 10.540 -9.317 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.282 -11.761 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.735 -11.292 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.279 -11.840 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.287 -10.301 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.204 -10.320 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.291 -8.770 2.344 1.00 0.00 H new ATOM 488 N PRO A 33 12.722 -9.973 4.676 1.00 0.00 N ATOM 489 CA PRO A 33 14.172 -10.118 4.830 1.00 0.00 C ATOM 490 C PRO A 33 14.801 -10.908 3.686 1.00 0.00 C ATOM 491 O PRO A 33 14.281 -11.948 3.279 1.00 0.00 O ATOM 492 CB PRO A 33 14.315 -10.881 6.148 1.00 0.00 C ATOM 493 CG PRO A 33 13.034 -11.627 6.294 1.00 0.00 C ATOM 494 CD PRO A 33 11.975 -10.759 5.673 1.00 0.00 C ATOM 0 HA PRO A 33 14.680 -9.154 4.823 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.168 -11.560 6.122 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.474 -10.200 6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.087 -12.595 5.795 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.813 -11.821 7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.189 -11.354 5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.495 -10.118 6.413 1.00 0.00 H new ATOM 502 N LEU A 34 15.919 -10.409 3.173 1.00 0.00 N ATOM 503 CA LEU A 34 16.618 -11.068 2.075 1.00 0.00 C ATOM 504 C LEU A 34 17.332 -12.326 2.563 1.00 0.00 C ATOM 505 O LEU A 34 17.532 -13.272 1.801 1.00 0.00 O ATOM 506 CB LEU A 34 17.626 -10.111 1.437 1.00 0.00 C ATOM 507 CG LEU A 34 17.034 -8.919 0.683 1.00 0.00 C ATOM 508 CD1 LEU A 34 18.137 -8.102 0.029 1.00 0.00 C ATOM 509 CD2 LEU A 34 16.029 -9.392 -0.357 1.00 0.00 C ATOM 0 H LEU A 34 16.362 -9.550 3.499 1.00 0.00 H new ATOM 0 HA LEU A 34 15.879 -11.357 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.282 -9.731 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.250 -10.679 0.747 1.00 0.00 H new ATOM 0 HG LEU A 34 16.513 -8.282 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.698 -7.258 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.819 -7.733 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.686 -8.729 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.618 -8.531 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.526 -10.050 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.223 -9.934 0.137 1.00 0.00 H new ATOM 521 N SER A 35 17.712 -12.328 3.836 1.00 0.00 N ATOM 522 CA SER A 35 18.404 -13.468 4.426 1.00 0.00 C ATOM 523 C SER A 35 17.686 -14.772 4.092 1.00 0.00 C ATOM 524 O SER A 35 18.321 -15.787 3.808 1.00 0.00 O ATOM 525 CB SER A 35 18.505 -13.302 5.942 1.00 0.00 C ATOM 526 OG SER A 35 17.229 -13.086 6.518 1.00 0.00 O ATOM 0 H SER A 35 17.552 -11.553 4.479 1.00 0.00 H new ATOM 0 HA SER A 35 19.409 -13.509 4.005 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.959 -14.192 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 35 19.160 -12.463 6.176 1.00 0.00 H new ATOM 0 HG SER A 35 17.321 -12.985 7.488 1.00 0.00 H new ATOM 532 N GLU A 36 16.358 -14.734 4.128 1.00 0.00 N ATOM 533 CA GLU A 36 15.553 -15.913 3.831 1.00 0.00 C ATOM 534 C GLU A 36 15.208 -15.976 2.345 1.00 0.00 C ATOM 535 O GLU A 36 14.951 -17.050 1.801 1.00 0.00 O ATOM 536 CB GLU A 36 14.268 -15.905 4.663 1.00 0.00 C ATOM 537 CG GLU A 36 13.535 -17.236 4.663 1.00 0.00 C ATOM 538 CD GLU A 36 12.750 -17.468 5.940 1.00 0.00 C ATOM 539 OE1 GLU A 36 13.220 -17.033 7.012 1.00 0.00 O ATOM 540 OE2 GLU A 36 11.667 -18.086 5.867 1.00 0.00 O ATOM 0 H GLU A 36 15.817 -13.901 4.360 1.00 0.00 H new ATOM 0 HA GLU A 36 16.139 -16.795 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.512 -15.634 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.601 -15.133 4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.856 -17.273 3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.255 -18.044 4.531 1.00 0.00 H new ATOM 547 N VAL A 37 15.205 -14.817 1.695 1.00 0.00 N ATOM 548 CA VAL A 37 14.892 -14.739 0.274 1.00 0.00 C ATOM 549 C VAL A 37 16.017 -14.061 -0.501 1.00 0.00 C ATOM 550 O VAL A 37 16.011 -12.849 -0.719 1.00 0.00 O ATOM 551 CB VAL A 37 13.580 -13.971 0.028 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.997 -14.330 -1.330 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.580 -14.258 1.138 1.00 0.00 C ATOM 0 H VAL A 37 15.416 -13.919 2.130 1.00 0.00 H new ATOM 0 HA VAL A 37 14.776 -15.763 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 37 13.798 -12.903 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.070 -13.778 -1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.710 -14.070 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.792 -15.400 -1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.658 -13.707 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.365 -15.326 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.999 -13.946 2.095 1.00 0.00 H new ATOM 563 N PRO A 38 17.008 -14.859 -0.927 1.00 0.00 N ATOM 564 CA PRO A 38 18.158 -14.357 -1.683 1.00 0.00 C ATOM 565 C PRO A 38 17.777 -13.914 -3.091 1.00 0.00 C ATOM 566 O PRO A 38 18.501 -13.149 -3.730 1.00 0.00 O ATOM 567 CB PRO A 38 19.100 -15.562 -1.738 1.00 0.00 C ATOM 568 CG PRO A 38 18.207 -16.747 -1.597 1.00 0.00 C ATOM 569 CD PRO A 38 17.080 -16.312 -0.702 1.00 0.00 C ATOM 0 HA PRO A 38 18.599 -13.475 -1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.651 -15.591 -2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.838 -15.525 -0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.832 -17.071 -2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 38 18.744 -17.591 -1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.145 -16.806 -0.964 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.283 -16.547 0.343 1.00 0.00 H new ATOM 577 N ASP A 39 16.637 -14.399 -3.571 1.00 0.00 N ATOM 578 CA ASP A 39 16.159 -14.052 -4.904 1.00 0.00 C ATOM 579 C ASP A 39 14.852 -13.269 -4.826 1.00 0.00 C ATOM 580 O ASP A 39 13.996 -13.379 -5.705 1.00 0.00 O ATOM 581 CB ASP A 39 15.961 -15.315 -5.744 1.00 0.00 C ATOM 582 CG ASP A 39 17.251 -16.088 -5.939 1.00 0.00 C ATOM 583 OD1 ASP A 39 17.777 -16.626 -4.942 1.00 0.00 O ATOM 584 OD2 ASP A 39 17.733 -16.155 -7.088 1.00 0.00 O ATOM 0 H ASP A 39 16.027 -15.034 -3.056 1.00 0.00 H new ATOM 0 HA ASP A 39 16.911 -13.423 -5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.225 -15.958 -5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.554 -15.041 -6.717 1.00 0.00 H new ATOM 589 N TYR A 40 14.704 -12.479 -3.768 1.00 0.00 N ATOM 590 CA TYR A 40 13.500 -11.680 -3.573 1.00 0.00 C ATOM 591 C TYR A 40 13.278 -10.733 -4.748 1.00 0.00 C ATOM 592 O TYR A 40 12.233 -10.768 -5.400 1.00 0.00 O ATOM 593 CB TYR A 40 13.598 -10.882 -2.271 1.00 0.00 C ATOM 594 CG TYR A 40 12.380 -10.030 -1.991 1.00 0.00 C ATOM 595 CD1 TYR A 40 11.099 -10.556 -2.106 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.512 -8.700 -1.610 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.984 -9.780 -1.852 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.402 -7.919 -1.351 1.00 0.00 C ATOM 599 CZ TYR A 40 10.141 -8.463 -1.474 1.00 0.00 C ATOM 600 OH TYR A 40 9.033 -7.689 -1.218 1.00 0.00 O ATOM 0 H TYR A 40 15.403 -12.375 -3.032 1.00 0.00 H new ATOM 0 HA TYR A 40 12.650 -12.359 -3.512 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.746 -11.573 -1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.478 -10.240 -2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.973 -11.588 -2.399 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.498 -8.270 -1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.995 -10.203 -1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.521 -6.888 -1.054 1.00 0.00 H new ATOM 0 HH TYR A 40 9.316 -6.786 -0.963 1.00 0.00 H new ATOM 610 N LEU A 41 14.268 -9.888 -5.014 1.00 0.00 N ATOM 611 CA LEU A 41 14.184 -8.931 -6.112 1.00 0.00 C ATOM 612 C LEU A 41 14.182 -9.646 -7.459 1.00 0.00 C ATOM 613 O LEU A 41 13.507 -9.222 -8.396 1.00 0.00 O ATOM 614 CB LEU A 41 15.353 -7.946 -6.046 1.00 0.00 C ATOM 615 CG LEU A 41 15.659 -7.360 -4.667 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.973 -6.593 -4.694 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.523 -6.458 -4.207 1.00 0.00 C ATOM 0 H LEU A 41 15.139 -9.846 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 41 13.248 -8.382 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.248 -8.450 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.148 -7.123 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 41 15.755 -8.181 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.175 -6.183 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.781 -7.266 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.905 -5.780 -5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.758 -6.050 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.396 -5.642 -4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.600 -7.036 -4.149 1.00 0.00 H new ATOM 629 N ASP A 42 14.940 -10.734 -7.546 1.00 0.00 N ATOM 630 CA ASP A 42 15.022 -11.511 -8.778 1.00 0.00 C ATOM 631 C ASP A 42 13.642 -11.689 -9.403 1.00 0.00 C ATOM 632 O ASP A 42 13.494 -11.661 -10.625 1.00 0.00 O ATOM 633 CB ASP A 42 15.651 -12.877 -8.504 1.00 0.00 C ATOM 634 CG ASP A 42 17.165 -12.843 -8.575 1.00 0.00 C ATOM 635 OD1 ASP A 42 17.704 -12.022 -9.347 1.00 0.00 O ATOM 636 OD2 ASP A 42 17.812 -13.637 -7.860 1.00 0.00 O ATOM 0 H ASP A 42 15.506 -11.098 -6.779 1.00 0.00 H new ATOM 0 HA ASP A 42 15.651 -10.964 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.344 -13.223 -7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.273 -13.599 -9.227 1.00 0.00 H new ATOM 641 N HIS A 43 12.634 -11.874 -8.556 1.00 0.00 N ATOM 642 CA HIS A 43 11.265 -12.057 -9.023 1.00 0.00 C ATOM 643 C HIS A 43 10.472 -10.759 -8.906 1.00 0.00 C ATOM 644 O HIS A 43 9.632 -10.455 -9.753 1.00 0.00 O ATOM 645 CB HIS A 43 10.575 -13.165 -8.227 1.00 0.00 C ATOM 646 CG HIS A 43 11.156 -14.525 -8.466 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.468 -15.534 -9.104 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.367 -15.038 -8.149 1.00 0.00 C ATOM 649 CE1 HIS A 43 11.230 -16.612 -9.168 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.388 -16.336 -8.596 1.00 0.00 N ATOM 0 H HIS A 43 12.740 -11.901 -7.542 1.00 0.00 H new ATOM 0 HA HIS A 43 11.302 -12.345 -10.074 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.641 -12.932 -7.164 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.516 -13.181 -8.485 1.00 0.00 H new ATOM 0 HD2 HIS A 43 13.168 -14.523 -7.639 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.953 -17.557 -9.612 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.171 -16.983 -8.502 1.00 0.00 H new ATOM 659 N ILE A 44 10.743 -10.000 -7.850 1.00 0.00 N ATOM 660 CA ILE A 44 10.055 -8.736 -7.621 1.00 0.00 C ATOM 661 C ILE A 44 10.940 -7.552 -7.998 1.00 0.00 C ATOM 662 O ILE A 44 11.896 -7.228 -7.293 1.00 0.00 O ATOM 663 CB ILE A 44 9.619 -8.589 -6.151 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.607 -9.676 -5.787 1.00 0.00 C ATOM 665 CG2 ILE A 44 9.031 -7.207 -5.909 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.569 -9.922 -6.860 1.00 0.00 C ATOM 0 H ILE A 44 11.435 -10.239 -7.139 1.00 0.00 H new ATOM 0 HA ILE A 44 9.168 -8.741 -8.255 1.00 0.00 H new ATOM 0 HB ILE A 44 10.495 -8.706 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.141 -10.606 -5.590 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.102 -9.396 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.728 -7.118 -4.866 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.780 -6.448 -6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.163 -7.063 -6.553 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.886 -10.705 -6.532 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.009 -9.005 -7.042 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.064 -10.234 -7.780 1.00 0.00 H new ATOM 678 N LYS A 45 10.615 -6.908 -9.114 1.00 0.00 N ATOM 679 CA LYS A 45 11.377 -5.758 -9.584 1.00 0.00 C ATOM 680 C LYS A 45 11.221 -4.576 -8.633 1.00 0.00 C ATOM 681 O LYS A 45 12.193 -3.892 -8.312 1.00 0.00 O ATOM 682 CB LYS A 45 10.921 -5.359 -10.990 1.00 0.00 C ATOM 683 CG LYS A 45 11.315 -6.357 -12.064 1.00 0.00 C ATOM 684 CD LYS A 45 12.775 -6.207 -12.457 1.00 0.00 C ATOM 685 CE LYS A 45 13.137 -7.121 -13.618 1.00 0.00 C ATOM 686 NZ LYS A 45 12.791 -6.511 -14.932 1.00 0.00 N ATOM 0 H LYS A 45 9.828 -7.164 -9.710 1.00 0.00 H new ATOM 0 HA LYS A 45 12.430 -6.039 -9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.837 -5.245 -10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.345 -4.386 -11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.137 -7.370 -11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.685 -6.216 -12.942 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.974 -5.171 -12.732 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.409 -6.437 -11.600 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.204 -7.340 -13.589 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.614 -8.071 -13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.053 -7.164 -15.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.768 -6.325 -14.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.310 -5.617 -15.047 1.00 0.00 H new ATOM 700 N LYS A 46 9.993 -4.342 -8.183 1.00 0.00 N ATOM 701 CA LYS A 46 9.709 -3.245 -7.266 1.00 0.00 C ATOM 702 C LYS A 46 9.067 -3.761 -5.982 1.00 0.00 C ATOM 703 O LYS A 46 7.845 -3.817 -5.850 1.00 0.00 O ATOM 704 CB LYS A 46 8.789 -2.220 -7.933 1.00 0.00 C ATOM 705 CG LYS A 46 8.528 -0.991 -7.080 1.00 0.00 C ATOM 706 CD LYS A 46 7.909 0.133 -7.895 1.00 0.00 C ATOM 707 CE LYS A 46 7.121 1.090 -7.015 1.00 0.00 C ATOM 708 NZ LYS A 46 7.982 2.177 -6.469 1.00 0.00 N ATOM 0 H LYS A 46 9.177 -4.898 -8.439 1.00 0.00 H new ATOM 0 HA LYS A 46 10.653 -2.764 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.232 -1.908 -8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.838 -2.697 -8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.864 -1.253 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.464 -0.648 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.694 0.680 -8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.252 -0.287 -8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.306 1.527 -7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.668 0.537 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.408 2.809 -5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.745 1.761 -5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.394 2.721 -7.254 1.00 0.00 H new ATOM 722 N PRO A 47 9.910 -4.146 -5.012 1.00 0.00 N ATOM 723 CA PRO A 47 9.446 -4.662 -3.720 1.00 0.00 C ATOM 724 C PRO A 47 8.798 -3.581 -2.863 1.00 0.00 C ATOM 725 O PRO A 47 9.461 -2.642 -2.426 1.00 0.00 O ATOM 726 CB PRO A 47 10.730 -5.169 -3.060 1.00 0.00 C ATOM 727 CG PRO A 47 11.820 -4.371 -3.688 1.00 0.00 C ATOM 728 CD PRO A 47 11.379 -4.107 -5.100 1.00 0.00 C ATOM 0 HA PRO A 47 8.679 -5.428 -3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.704 -5.023 -1.980 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.870 -6.236 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.981 -3.438 -3.148 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.763 -4.917 -3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.734 -3.141 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.760 -4.862 -5.788 1.00 0.00 H new ATOM 736 N MET A 48 7.497 -3.720 -2.627 1.00 0.00 N ATOM 737 CA MET A 48 6.759 -2.756 -1.820 1.00 0.00 C ATOM 738 C MET A 48 6.313 -3.379 -0.501 1.00 0.00 C ATOM 739 O MET A 48 6.185 -4.599 -0.391 1.00 0.00 O ATOM 740 CB MET A 48 5.543 -2.238 -2.590 1.00 0.00 C ATOM 741 CG MET A 48 4.862 -1.053 -1.925 1.00 0.00 C ATOM 742 SD MET A 48 6.014 0.273 -1.521 1.00 0.00 S ATOM 743 CE MET A 48 6.647 0.680 -3.146 1.00 0.00 C ATOM 0 H MET A 48 6.933 -4.491 -2.983 1.00 0.00 H new ATOM 0 HA MET A 48 7.423 -1.920 -1.600 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.855 -1.951 -3.594 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.821 -3.047 -2.699 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.087 -0.666 -2.586 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.366 -1.388 -1.014 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.205 1.615 -3.095 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.306 -0.117 -3.490 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.816 0.790 -3.843 1.00 0.00 H new ATOM 753 N ASP A 49 6.077 -2.534 0.497 1.00 0.00 N ATOM 754 CA ASP A 49 5.645 -3.003 1.809 1.00 0.00 C ATOM 755 C ASP A 49 5.042 -1.860 2.622 1.00 0.00 C ATOM 756 O ASP A 49 5.235 -0.688 2.301 1.00 0.00 O ATOM 757 CB ASP A 49 6.821 -3.620 2.567 1.00 0.00 C ATOM 758 CG ASP A 49 7.761 -4.384 1.656 1.00 0.00 C ATOM 759 OD1 ASP A 49 8.639 -3.745 1.039 1.00 0.00 O ATOM 760 OD2 ASP A 49 7.619 -5.620 1.559 1.00 0.00 O ATOM 0 H ASP A 49 6.177 -1.522 0.423 1.00 0.00 H new ATOM 0 HA ASP A 49 4.879 -3.765 1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.375 -2.831 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.441 -4.291 3.337 1.00 0.00 H new ATOM 765 N PHE A 50 4.311 -2.212 3.674 1.00 0.00 N ATOM 766 CA PHE A 50 3.678 -1.217 4.532 1.00 0.00 C ATOM 767 C PHE A 50 4.718 -0.274 5.130 1.00 0.00 C ATOM 768 O PHE A 50 4.457 0.913 5.325 1.00 0.00 O ATOM 769 CB PHE A 50 2.891 -1.903 5.651 1.00 0.00 C ATOM 770 CG PHE A 50 1.491 -2.279 5.257 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.608 -1.318 4.791 1.00 0.00 C ATOM 772 CD2 PHE A 50 1.059 -3.591 5.352 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.681 -1.660 4.427 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.228 -3.939 4.989 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.100 -2.972 4.528 1.00 0.00 C ATOM 0 H PHE A 50 4.142 -3.178 3.953 1.00 0.00 H new ATOM 0 HA PHE A 50 2.991 -0.631 3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.425 -2.800 5.962 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.851 -1.240 6.515 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.930 -0.290 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.736 -4.351 5.714 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.359 -0.902 4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.552 -4.966 5.066 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.107 -3.241 4.247 1.00 0.00 H new ATOM 785 N PHE A 51 5.898 -0.812 5.421 1.00 0.00 N ATOM 786 CA PHE A 51 6.977 -0.020 5.998 1.00 0.00 C ATOM 787 C PHE A 51 7.722 0.755 4.916 1.00 0.00 C ATOM 788 O PHE A 51 8.104 1.909 5.113 1.00 0.00 O ATOM 789 CB PHE A 51 7.953 -0.925 6.756 1.00 0.00 C ATOM 790 CG PHE A 51 9.351 -0.379 6.818 1.00 0.00 C ATOM 791 CD1 PHE A 51 9.723 0.495 7.827 1.00 0.00 C ATOM 792 CD2 PHE A 51 10.293 -0.741 5.869 1.00 0.00 C ATOM 793 CE1 PHE A 51 11.008 0.999 7.887 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.580 -0.241 5.924 1.00 0.00 C ATOM 795 CZ PHE A 51 11.938 0.631 6.934 1.00 0.00 C ATOM 0 H PHE A 51 6.131 -1.793 5.267 1.00 0.00 H new ATOM 0 HA PHE A 51 6.537 0.694 6.694 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.584 -1.074 7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.975 -1.904 6.278 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.000 0.786 8.575 1.00 0.00 H new ATOM 0 HD2 PHE A 51 10.018 -1.422 5.077 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.285 1.680 8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.305 -0.532 5.178 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.943 1.024 6.978 1.00 0.00 H new ATOM 805 N THR A 52 7.927 0.113 3.770 1.00 0.00 N ATOM 806 CA THR A 52 8.627 0.741 2.656 1.00 0.00 C ATOM 807 C THR A 52 7.843 1.931 2.115 1.00 0.00 C ATOM 808 O THR A 52 8.387 3.023 1.954 1.00 0.00 O ATOM 809 CB THR A 52 8.874 -0.261 1.512 1.00 0.00 C ATOM 810 OG1 THR A 52 9.728 -1.318 1.963 1.00 0.00 O ATOM 811 CG2 THR A 52 9.505 0.432 0.314 1.00 0.00 C ATOM 0 H THR A 52 7.618 -0.842 3.589 1.00 0.00 H new ATOM 0 HA THR A 52 9.587 1.087 3.040 1.00 0.00 H new ATOM 0 HB THR A 52 7.913 -0.676 1.207 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.381 -2.177 1.644 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.670 -0.295 -0.481 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.839 1.217 -0.044 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.458 0.871 0.608 1.00 0.00 H new ATOM 819 N MET A 53 6.563 1.712 1.835 1.00 0.00 N ATOM 820 CA MET A 53 5.704 2.768 1.312 1.00 0.00 C ATOM 821 C MET A 53 5.650 3.950 2.274 1.00 0.00 C ATOM 822 O MET A 53 5.597 5.106 1.852 1.00 0.00 O ATOM 823 CB MET A 53 4.292 2.231 1.067 1.00 0.00 C ATOM 824 CG MET A 53 3.546 1.876 2.343 1.00 0.00 C ATOM 825 SD MET A 53 1.951 1.097 2.022 1.00 0.00 S ATOM 826 CE MET A 53 1.227 2.268 0.877 1.00 0.00 C ATOM 0 H MET A 53 6.098 0.813 1.961 1.00 0.00 H new ATOM 0 HA MET A 53 6.125 3.110 0.366 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.719 2.977 0.517 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.354 1.346 0.434 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.160 1.204 2.943 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.392 2.780 2.933 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.141 2.185 0.910 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.522 3.280 1.156 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.577 2.053 -0.133 1.00 0.00 H new ATOM 836 N LYS A 54 5.664 3.655 3.570 1.00 0.00 N ATOM 837 CA LYS A 54 5.619 4.693 4.592 1.00 0.00 C ATOM 838 C LYS A 54 6.794 5.654 4.445 1.00 0.00 C ATOM 839 O LYS A 54 6.610 6.869 4.383 1.00 0.00 O ATOM 840 CB LYS A 54 5.630 4.065 5.987 1.00 0.00 C ATOM 841 CG LYS A 54 4.977 4.931 7.050 1.00 0.00 C ATOM 842 CD LYS A 54 5.665 6.281 7.170 1.00 0.00 C ATOM 843 CE LYS A 54 5.568 6.832 8.585 1.00 0.00 C ATOM 844 NZ LYS A 54 6.380 6.036 9.547 1.00 0.00 N ATOM 0 H LYS A 54 5.706 2.704 3.937 1.00 0.00 H new ATOM 0 HA LYS A 54 4.695 5.256 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.117 3.104 5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.661 3.864 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.925 5.078 6.805 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.012 4.417 8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.713 6.183 6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.212 6.985 6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.906 7.868 8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.526 6.833 8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.597 6.617 10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.844 5.195 9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.267 5.740 9.091 1.00 0.00 H new ATOM 858 N GLN A 55 8.001 5.100 4.389 1.00 0.00 N ATOM 859 CA GLN A 55 9.206 5.909 4.249 1.00 0.00 C ATOM 860 C GLN A 55 9.066 6.900 3.098 1.00 0.00 C ATOM 861 O GLN A 55 9.318 8.093 3.259 1.00 0.00 O ATOM 862 CB GLN A 55 10.424 5.013 4.021 1.00 0.00 C ATOM 863 CG GLN A 55 10.625 3.970 5.109 1.00 0.00 C ATOM 864 CD GLN A 55 11.313 4.534 6.336 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.465 4.967 6.273 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.610 4.532 7.463 1.00 0.00 N ATOM 0 H GLN A 55 8.170 4.095 4.438 1.00 0.00 H new ATOM 0 HA GLN A 55 9.345 6.471 5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.319 4.508 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.316 5.636 3.957 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.657 3.559 5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.217 3.145 4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.659 4.164 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.021 4.899 8.321 1.00 0.00 H new ATOM 875 N ASN A 56 8.662 6.396 1.936 1.00 0.00 N ATOM 876 CA ASN A 56 8.490 7.236 0.757 1.00 0.00 C ATOM 877 C ASN A 56 7.433 8.309 1.004 1.00 0.00 C ATOM 878 O ASN A 56 7.601 9.463 0.607 1.00 0.00 O ATOM 879 CB ASN A 56 8.094 6.383 -0.450 1.00 0.00 C ATOM 880 CG ASN A 56 9.044 5.223 -0.674 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.219 5.289 -0.313 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.538 4.151 -1.273 1.00 0.00 N ATOM 0 H ASN A 56 8.448 5.410 1.786 1.00 0.00 H new ATOM 0 HA ASN A 56 9.441 7.727 0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.084 5.999 -0.305 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.072 7.009 -1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.129 3.339 -1.450 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.558 4.140 -1.556 1.00 0.00 H new ATOM 889 N LEU A 57 6.347 7.921 1.662 1.00 0.00 N ATOM 890 CA LEU A 57 5.262 8.849 1.963 1.00 0.00 C ATOM 891 C LEU A 57 5.764 10.016 2.808 1.00 0.00 C ATOM 892 O LEU A 57 5.425 11.171 2.551 1.00 0.00 O ATOM 893 CB LEU A 57 4.132 8.124 2.695 1.00 0.00 C ATOM 894 CG LEU A 57 3.063 9.013 3.331 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.723 8.296 3.366 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.483 9.433 4.731 1.00 0.00 C ATOM 0 H LEU A 57 6.194 6.970 1.998 1.00 0.00 H new ATOM 0 HA LEU A 57 4.881 9.243 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.644 7.451 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.572 7.504 3.476 1.00 0.00 H new ATOM 0 HG LEU A 57 2.955 9.910 2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.975 8.945 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.417 8.047 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.815 7.381 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.710 10.065 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.621 8.547 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.419 9.988 4.679 1.00 0.00 H new ATOM 908 N GLU A 58 6.573 9.706 3.816 1.00 0.00 N ATOM 909 CA GLU A 58 7.122 10.730 4.698 1.00 0.00 C ATOM 910 C GLU A 58 8.160 11.577 3.967 1.00 0.00 C ATOM 911 O GLU A 58 8.431 12.713 4.352 1.00 0.00 O ATOM 912 CB GLU A 58 7.751 10.085 5.934 1.00 0.00 C ATOM 913 CG GLU A 58 6.744 9.735 7.016 1.00 0.00 C ATOM 914 CD GLU A 58 7.341 9.795 8.410 1.00 0.00 C ATOM 915 OE1 GLU A 58 8.493 9.344 8.582 1.00 0.00 O ATOM 916 OE2 GLU A 58 6.655 10.291 9.327 1.00 0.00 O ATOM 0 H GLU A 58 6.863 8.755 4.042 1.00 0.00 H new ATOM 0 HA GLU A 58 6.305 11.380 5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.278 9.179 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.496 10.764 6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.899 10.421 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.354 8.733 6.834 1.00 0.00 H new ATOM 923 N ALA A 59 8.738 11.013 2.912 1.00 0.00 N ATOM 924 CA ALA A 59 9.746 11.716 2.126 1.00 0.00 C ATOM 925 C ALA A 59 9.099 12.557 1.030 1.00 0.00 C ATOM 926 O ALA A 59 9.779 13.050 0.130 1.00 0.00 O ATOM 927 CB ALA A 59 10.729 10.725 1.522 1.00 0.00 C ATOM 0 H ALA A 59 8.526 10.072 2.581 1.00 0.00 H new ATOM 0 HA ALA A 59 10.287 12.388 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.476 11.263 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.223 10.170 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.194 10.030 0.875 1.00 0.00 H new ATOM 933 N TYR A 60 7.783 12.716 1.113 1.00 0.00 N ATOM 934 CA TYR A 60 7.045 13.496 0.126 1.00 0.00 C ATOM 935 C TYR A 60 7.245 12.929 -1.276 1.00 0.00 C ATOM 936 O TYR A 60 7.454 13.674 -2.234 1.00 0.00 O ATOM 937 CB TYR A 60 7.487 14.959 0.166 1.00 0.00 C ATOM 938 CG TYR A 60 7.020 15.700 1.398 1.00 0.00 C ATOM 939 CD1 TYR A 60 7.431 15.308 2.666 1.00 0.00 C ATOM 940 CD2 TYR A 60 6.168 16.792 1.294 1.00 0.00 C ATOM 941 CE1 TYR A 60 7.005 15.982 3.795 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.739 17.473 2.417 1.00 0.00 C ATOM 943 CZ TYR A 60 6.159 17.064 3.664 1.00 0.00 C ATOM 944 OH TYR A 60 5.733 17.738 4.786 1.00 0.00 O ATOM 0 H TYR A 60 7.206 12.316 1.853 1.00 0.00 H new ATOM 0 HA TYR A 60 5.985 13.438 0.373 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.575 15.002 0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.108 15.469 -0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.095 14.462 2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.835 17.114 0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.332 15.664 4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.078 18.321 2.318 1.00 0.00 H new ATOM 0 HH TYR A 60 5.144 18.475 4.521 1.00 0.00 H new ATOM 954 N ARG A 61 7.179 11.606 -1.389 1.00 0.00 N ATOM 955 CA ARG A 61 7.354 10.939 -2.672 1.00 0.00 C ATOM 956 C ARG A 61 6.010 10.736 -3.367 1.00 0.00 C ATOM 957 O ARG A 61 5.942 10.642 -4.592 1.00 0.00 O ATOM 958 CB ARG A 61 8.050 9.590 -2.480 1.00 0.00 C ATOM 959 CG ARG A 61 9.530 9.709 -2.157 1.00 0.00 C ATOM 960 CD ARG A 61 10.294 8.463 -2.576 1.00 0.00 C ATOM 961 NE ARG A 61 11.737 8.684 -2.591 1.00 0.00 N ATOM 962 CZ ARG A 61 12.353 9.460 -3.476 1.00 0.00 C ATOM 963 NH1 ARG A 61 11.655 10.085 -4.414 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.670 9.612 -3.424 1.00 0.00 N ATOM 0 H ARG A 61 7.005 10.975 -0.606 1.00 0.00 H new ATOM 0 HA ARG A 61 7.977 11.575 -3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.554 9.046 -1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.931 8.997 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.945 10.580 -2.665 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.658 9.873 -1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.060 7.647 -1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.965 8.152 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 61 12.303 8.217 -1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.642 9.971 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.131 10.680 -5.092 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.211 9.133 -2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.142 10.208 -4.104 1.00 0.00 H new ATOM 978 N TYR A 62 4.946 10.669 -2.576 1.00 0.00 N ATOM 979 CA TYR A 62 3.605 10.474 -3.113 1.00 0.00 C ATOM 980 C TYR A 62 2.822 11.784 -3.112 1.00 0.00 C ATOM 981 O TYR A 62 2.364 12.247 -2.066 1.00 0.00 O ATOM 982 CB TYR A 62 2.855 9.418 -2.300 1.00 0.00 C ATOM 983 CG TYR A 62 3.563 8.083 -2.240 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.023 7.467 -3.397 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.774 7.441 -1.027 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.671 6.247 -3.347 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.421 6.222 -0.967 1.00 0.00 C ATOM 988 CZ TYR A 62 4.867 5.629 -2.130 1.00 0.00 C ATOM 989 OH TYR A 62 5.513 4.415 -2.075 1.00 0.00 O ATOM 0 H TYR A 62 4.986 10.747 -1.560 1.00 0.00 H new ATOM 0 HA TYR A 62 3.700 10.129 -4.143 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.710 9.789 -1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.864 9.275 -2.732 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.872 7.949 -4.351 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.426 7.903 -0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.022 5.781 -4.256 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.577 5.736 -0.015 1.00 0.00 H new ATOM 0 HH TYR A 62 5.593 4.046 -2.979 1.00 0.00 H new ATOM 999 N LEU A 63 2.670 12.375 -4.292 1.00 0.00 N ATOM 1000 CA LEU A 63 1.942 13.632 -4.430 1.00 0.00 C ATOM 1001 C LEU A 63 0.543 13.391 -4.986 1.00 0.00 C ATOM 1002 O LEU A 63 -0.376 14.172 -4.740 1.00 0.00 O ATOM 1003 CB LEU A 63 2.708 14.591 -5.343 1.00 0.00 C ATOM 1004 CG LEU A 63 4.140 14.920 -4.919 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.992 15.257 -6.134 1.00 0.00 C ATOM 1006 CD2 LEU A 63 4.150 16.070 -3.924 1.00 0.00 C ATOM 0 H LEU A 63 3.041 12.004 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 63 1.848 14.080 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.736 14.163 -6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.147 15.523 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 63 4.566 14.042 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.008 15.488 -5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.011 14.404 -6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.568 16.120 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.177 16.291 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.705 16.953 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.575 15.792 -3.041 1.00 0.00 H new ATOM 1018 N ASN A 64 0.388 12.306 -5.736 1.00 0.00 N ATOM 1019 CA ASN A 64 -0.902 11.961 -6.326 1.00 0.00 C ATOM 1020 C ASN A 64 -1.438 10.660 -5.738 1.00 0.00 C ATOM 1021 O ASN A 64 -0.690 9.704 -5.530 1.00 0.00 O ATOM 1022 CB ASN A 64 -0.773 11.832 -7.845 1.00 0.00 C ATOM 1023 CG ASN A 64 -0.046 13.010 -8.465 1.00 0.00 C ATOM 1024 OD1 ASN A 64 -0.668 13.979 -8.900 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.280 12.931 -8.507 1.00 0.00 N ATOM 0 H ASN A 64 1.139 11.650 -5.950 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.605 12.761 -6.094 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.240 10.912 -8.085 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.766 11.749 -8.286 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.824 13.693 -8.912 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.754 12.108 -8.134 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.740 10.629 -5.472 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.378 9.445 -4.908 1.00 0.00 C ATOM 1034 C PHE A 65 -2.990 8.194 -5.690 1.00 0.00 C ATOM 1035 O PHE A 65 -2.654 7.163 -5.107 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.899 9.610 -4.908 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.610 8.613 -4.038 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.685 8.799 -2.667 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -6.205 7.491 -4.592 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.339 7.883 -1.865 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.859 6.572 -3.795 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.927 6.769 -2.430 1.00 0.00 C ATOM 0 H PHE A 65 -3.374 11.411 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.033 9.331 -3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.147 10.616 -4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.267 9.516 -5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.227 9.669 -2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.157 7.333 -5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.390 8.038 -0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.317 5.700 -4.239 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.440 6.053 -1.805 1.00 0.00 H new ATOM 1052 N ASP A 66 -3.041 8.292 -7.014 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.695 7.168 -7.878 1.00 0.00 C ATOM 1054 C ASP A 66 -1.332 6.595 -7.503 1.00 0.00 C ATOM 1055 O ASP A 66 -1.124 5.382 -7.549 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.692 7.607 -9.344 1.00 0.00 C ATOM 1057 CG ASP A 66 -4.046 8.118 -9.797 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -4.948 7.285 -10.027 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -4.204 9.350 -9.921 1.00 0.00 O ATOM 0 H ASP A 66 -3.318 9.138 -7.513 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.446 6.390 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.946 8.389 -9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.395 6.767 -9.972 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.407 7.474 -7.134 1.00 0.00 N ATOM 1065 CA ASP A 67 0.937 7.056 -6.752 1.00 0.00 C ATOM 1066 C ASP A 67 0.912 6.285 -5.436 1.00 0.00 C ATOM 1067 O ASP A 67 1.591 5.268 -5.286 1.00 0.00 O ATOM 1068 CB ASP A 67 1.857 8.270 -6.629 1.00 0.00 C ATOM 1069 CG ASP A 67 2.082 8.964 -7.958 1.00 0.00 C ATOM 1070 OD1 ASP A 67 2.348 8.262 -8.956 1.00 0.00 O ATOM 1071 OD2 ASP A 67 1.992 10.209 -8.001 1.00 0.00 O ATOM 0 H ASP A 67 -0.563 8.481 -7.091 1.00 0.00 H new ATOM 0 HA ASP A 67 1.321 6.398 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.426 8.978 -5.921 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.817 7.955 -6.220 1.00 0.00 H new ATOM 1076 N PHE A 68 0.125 6.776 -4.483 1.00 0.00 N ATOM 1077 CA PHE A 68 0.013 6.134 -3.179 1.00 0.00 C ATOM 1078 C PHE A 68 -0.673 4.777 -3.297 1.00 0.00 C ATOM 1079 O PHE A 68 -0.336 3.835 -2.580 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.765 7.030 -2.211 1.00 0.00 C ATOM 1081 CG PHE A 68 -1.007 6.397 -0.872 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -0.073 6.515 0.145 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -2.169 5.683 -0.628 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -0.293 5.933 1.378 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -2.396 5.099 0.604 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.457 5.225 1.609 1.00 0.00 C ATOM 0 H PHE A 68 -0.444 7.616 -4.590 1.00 0.00 H new ATOM 0 HA PHE A 68 1.020 5.979 -2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.216 7.961 -2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.724 7.290 -2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.838 7.069 -0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.907 5.581 -1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.444 6.031 2.161 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.306 4.545 0.781 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.632 4.771 2.573 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.640 4.686 -4.205 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.375 3.445 -4.416 1.00 0.00 C ATOM 1098 C GLU A 69 -1.483 2.387 -5.061 1.00 0.00 C ATOM 1099 O GLU A 69 -1.410 1.253 -4.590 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.603 3.696 -5.294 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.325 2.425 -5.709 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.791 2.661 -6.016 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -6.432 3.445 -5.286 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -6.297 2.059 -6.987 1.00 0.00 O ATOM 0 H GLU A 69 -1.932 5.457 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.702 3.077 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.299 4.340 -4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.295 4.237 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.837 2.005 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.239 1.686 -4.912 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.808 2.769 -6.141 1.00 0.00 N ATOM 1112 CA GLU A 70 0.077 1.853 -6.851 1.00 0.00 C ATOM 1113 C GLU A 70 0.901 1.023 -5.870 1.00 0.00 C ATOM 1114 O GLU A 70 0.884 -0.207 -5.913 1.00 0.00 O ATOM 1115 CB GLU A 70 1.006 2.629 -7.786 1.00 0.00 C ATOM 1116 CG GLU A 70 1.539 1.797 -8.941 1.00 0.00 C ATOM 1117 CD GLU A 70 0.472 0.924 -9.574 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -0.244 1.419 -10.469 1.00 0.00 O ATOM 1119 OE2 GLU A 70 0.353 -0.252 -9.173 1.00 0.00 O ATOM 0 H GLU A 70 -0.857 3.705 -6.543 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.540 1.177 -7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.469 3.489 -8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.846 3.017 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.957 2.460 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.354 1.167 -8.584 1.00 0.00 H new ATOM 1126 N ASP A 71 1.623 1.705 -4.988 1.00 0.00 N ATOM 1127 CA ASP A 71 2.454 1.034 -3.997 1.00 0.00 C ATOM 1128 C ASP A 71 1.708 -0.139 -3.368 1.00 0.00 C ATOM 1129 O ASP A 71 2.167 -1.282 -3.423 1.00 0.00 O ATOM 1130 CB ASP A 71 2.887 2.019 -2.910 1.00 0.00 C ATOM 1131 CG ASP A 71 3.396 3.326 -3.484 1.00 0.00 C ATOM 1132 OD1 ASP A 71 4.380 3.294 -4.251 1.00 0.00 O ATOM 1133 OD2 ASP A 71 2.809 4.383 -3.167 1.00 0.00 O ATOM 0 H ASP A 71 1.649 2.724 -4.940 1.00 0.00 H new ATOM 0 HA ASP A 71 3.340 0.651 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.044 2.220 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.668 1.564 -2.301 1.00 0.00 H new ATOM 1138 N PHE A 72 0.558 0.149 -2.770 1.00 0.00 N ATOM 1139 CA PHE A 72 -0.251 -0.881 -2.130 1.00 0.00 C ATOM 1140 C PHE A 72 -0.431 -2.083 -3.052 1.00 0.00 C ATOM 1141 O PHE A 72 -0.101 -3.212 -2.692 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.617 -0.317 -1.735 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.620 -1.374 -1.369 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -2.656 -1.898 -0.087 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -3.526 -1.843 -2.306 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -3.578 -2.870 0.254 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -4.449 -2.814 -1.971 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.475 -3.329 -0.690 1.00 0.00 C ATOM 0 H PHE A 72 0.165 1.088 -2.715 1.00 0.00 H new ATOM 0 HA PHE A 72 0.271 -1.210 -1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.491 0.361 -0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.010 0.274 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.956 -1.543 0.655 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.510 -1.445 -3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.597 -3.270 1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.150 -3.171 -2.711 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.196 -4.089 -0.427 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.961 -1.831 -4.246 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.188 -2.891 -5.220 1.00 0.00 C ATOM 1160 C ASN A 73 0.018 -3.821 -5.303 1.00 0.00 C ATOM 1161 O ASN A 73 -0.101 -5.032 -5.110 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.480 -2.292 -6.598 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.837 -1.618 -6.659 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.839 -2.173 -6.208 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -2.874 -0.414 -7.218 1.00 0.00 N ATOM 0 H ASN A 73 -1.241 -0.902 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.051 -3.472 -4.893 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.705 -1.567 -6.848 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.434 -3.079 -7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.758 0.089 -7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.018 0.007 -7.578 1.00 0.00 H new ATOM 1172 N LEU A 74 1.182 -3.248 -5.591 1.00 0.00 N ATOM 1173 CA LEU A 74 2.413 -4.024 -5.698 1.00 0.00 C ATOM 1174 C LEU A 74 2.489 -5.079 -4.599 1.00 0.00 C ATOM 1175 O LEU A 74 2.657 -6.266 -4.876 1.00 0.00 O ATOM 1176 CB LEU A 74 3.630 -3.101 -5.621 1.00 0.00 C ATOM 1177 CG LEU A 74 4.077 -2.470 -6.940 1.00 0.00 C ATOM 1178 CD1 LEU A 74 5.360 -1.677 -6.743 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.266 -3.538 -8.006 1.00 0.00 C ATOM 0 H LEU A 74 1.299 -2.248 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 74 2.411 -4.531 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.410 -2.301 -4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.466 -3.668 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 74 3.298 -1.785 -7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.664 -1.235 -7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.190 -0.886 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.146 -2.341 -6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.584 -3.070 -8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.025 -4.248 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.324 -4.062 -8.167 1.00 0.00 H new ATOM 1191 N ILE A 75 2.362 -4.637 -3.352 1.00 0.00 N ATOM 1192 CA ILE A 75 2.414 -5.543 -2.212 1.00 0.00 C ATOM 1193 C ILE A 75 1.557 -6.780 -2.454 1.00 0.00 C ATOM 1194 O ILE A 75 2.035 -7.910 -2.351 1.00 0.00 O ATOM 1195 CB ILE A 75 1.941 -4.849 -0.921 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.852 -3.666 -0.588 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.911 -5.842 0.233 1.00 0.00 C ATOM 1198 CD1 ILE A 75 2.377 -2.850 0.594 1.00 0.00 C ATOM 0 H ILE A 75 2.222 -3.657 -3.106 1.00 0.00 H new ATOM 0 HA ILE A 75 3.455 -5.843 -2.094 1.00 0.00 H new ATOM 0 HB ILE A 75 0.930 -4.472 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.856 -4.038 -0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.925 -3.017 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.575 -5.337 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.226 -6.656 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.911 -6.245 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.071 -2.029 0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.386 -2.448 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.331 -3.484 1.479 1.00 0.00 H new ATOM 1210 N VAL A 76 0.286 -6.560 -2.779 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.638 -7.657 -3.040 1.00 0.00 C ATOM 1212 C VAL A 76 -0.182 -8.488 -4.233 1.00 0.00 C ATOM 1213 O VAL A 76 -0.030 -9.706 -4.134 1.00 0.00 O ATOM 1214 CB VAL A 76 -2.064 -7.138 -3.303 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -3.028 -8.301 -3.491 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.520 -6.236 -2.168 1.00 0.00 C ATOM 0 H VAL A 76 -0.127 -5.631 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.646 -8.283 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.055 -6.551 -4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.031 -7.916 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.709 -8.905 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.036 -8.916 -2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.530 -5.878 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.514 -6.796 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.844 -5.385 -2.085 1.00 0.00 H new ATOM 1226 N SER A 77 0.036 -7.822 -5.363 1.00 0.00 N ATOM 1227 CA SER A 77 0.472 -8.499 -6.578 1.00 0.00 C ATOM 1228 C SER A 77 1.813 -9.194 -6.362 1.00 0.00 C ATOM 1229 O SER A 77 1.889 -10.421 -6.322 1.00 0.00 O ATOM 1230 CB SER A 77 0.581 -7.501 -7.733 1.00 0.00 C ATOM 1231 OG SER A 77 1.387 -6.392 -7.373 1.00 0.00 O ATOM 0 H SER A 77 -0.082 -6.814 -5.462 1.00 0.00 H new ATOM 0 HA SER A 77 -0.272 -9.255 -6.830 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.006 -7.995 -8.606 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.414 -7.156 -8.015 1.00 0.00 H new ATOM 0 HG SER A 77 1.096 -5.600 -7.872 1.00 0.00 H new ATOM 1237 N ASN A 78 2.869 -8.397 -6.223 1.00 0.00 N ATOM 1238 CA ASN A 78 4.208 -8.934 -6.012 1.00 0.00 C ATOM 1239 C ASN A 78 4.167 -10.156 -5.099 1.00 0.00 C ATOM 1240 O ASN A 78 4.985 -11.067 -5.226 1.00 0.00 O ATOM 1241 CB ASN A 78 5.120 -7.864 -5.408 1.00 0.00 C ATOM 1242 CG ASN A 78 5.607 -6.869 -6.444 1.00 0.00 C ATOM 1243 OD1 ASN A 78 5.612 -7.155 -7.641 1.00 0.00 O ATOM 1244 ND2 ASN A 78 6.019 -5.692 -5.986 1.00 0.00 N ATOM 0 H ASN A 78 2.823 -7.378 -6.253 1.00 0.00 H new ATOM 0 HA ASN A 78 4.606 -9.238 -6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.582 -7.333 -4.623 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.978 -8.345 -4.938 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.357 -4.982 -6.636 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.997 -5.498 -4.985 1.00 0.00 H new ATOM 1251 N CYS A 79 3.207 -10.169 -4.180 1.00 0.00 N ATOM 1252 CA CYS A 79 3.058 -11.279 -3.246 1.00 0.00 C ATOM 1253 C CYS A 79 2.338 -12.451 -3.904 1.00 0.00 C ATOM 1254 O CYS A 79 2.708 -13.609 -3.710 1.00 0.00 O ATOM 1255 CB CYS A 79 2.291 -10.826 -2.002 1.00 0.00 C ATOM 1256 SG CYS A 79 2.291 -12.033 -0.656 1.00 0.00 S ATOM 0 H CYS A 79 2.521 -9.424 -4.062 1.00 0.00 H new ATOM 0 HA CYS A 79 4.054 -11.609 -2.950 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.725 -9.894 -1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.260 -10.610 -2.282 1.00 0.00 H new ATOM 0 HG CYS A 79 1.082 -12.173 -0.199 1.00 0.00 H new ATOM 1262 N LEU A 80 1.305 -12.143 -4.680 1.00 0.00 N ATOM 1263 CA LEU A 80 0.530 -13.171 -5.367 1.00 0.00 C ATOM 1264 C LEU A 80 1.300 -13.728 -6.560 1.00 0.00 C ATOM 1265 O LEU A 80 0.996 -14.812 -7.057 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.811 -12.600 -5.832 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.773 -12.162 -4.727 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.905 -11.327 -5.306 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.324 -13.372 -3.987 1.00 0.00 C ATOM 0 H LEU A 80 0.984 -11.190 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 80 0.348 -13.984 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.615 -11.743 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.310 -13.351 -6.444 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.222 -11.547 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.580 -11.024 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.493 -10.441 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.454 -11.917 -6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.006 -13.040 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.859 -14.014 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.502 -13.930 -3.539 1.00 0.00 H new ATOM 1281 N LYS A 81 2.300 -12.979 -7.014 1.00 0.00 N ATOM 1282 CA LYS A 81 3.116 -13.398 -8.146 1.00 0.00 C ATOM 1283 C LYS A 81 4.316 -14.216 -7.679 1.00 0.00 C ATOM 1284 O LYS A 81 4.677 -15.216 -8.300 1.00 0.00 O ATOM 1285 CB LYS A 81 3.596 -12.177 -8.936 1.00 0.00 C ATOM 1286 CG LYS A 81 4.925 -11.623 -8.453 1.00 0.00 C ATOM 1287 CD LYS A 81 5.431 -10.516 -9.362 1.00 0.00 C ATOM 1288 CE LYS A 81 6.195 -11.076 -10.550 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.291 -11.399 -11.689 1.00 0.00 N ATOM 0 H LYS A 81 2.564 -12.078 -6.614 1.00 0.00 H new ATOM 0 HA LYS A 81 2.500 -14.023 -8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.686 -12.448 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.841 -11.394 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.813 -11.240 -7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.661 -12.426 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.589 -9.922 -9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.078 -9.846 -8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.943 -10.353 -10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.731 -11.975 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.753 -11.139 -12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.084 -12.418 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.404 -10.865 -11.590 1.00 0.00 H new ATOM 1303 N TYR A 82 4.927 -13.787 -6.581 1.00 0.00 N ATOM 1304 CA TYR A 82 6.086 -14.480 -6.031 1.00 0.00 C ATOM 1305 C TYR A 82 5.675 -15.794 -5.376 1.00 0.00 C ATOM 1306 O TYR A 82 6.273 -16.840 -5.626 1.00 0.00 O ATOM 1307 CB TYR A 82 6.801 -13.591 -5.011 1.00 0.00 C ATOM 1308 CG TYR A 82 8.186 -14.078 -4.650 1.00 0.00 C ATOM 1309 CD1 TYR A 82 9.165 -14.236 -5.624 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.517 -14.379 -3.335 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.431 -14.681 -5.299 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.781 -14.823 -3.000 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.735 -14.975 -3.984 1.00 0.00 C ATOM 1314 OH TYR A 82 11.996 -15.416 -3.657 1.00 0.00 O ATOM 0 H TYR A 82 4.639 -12.963 -6.054 1.00 0.00 H new ATOM 0 HA TYR A 82 6.768 -14.702 -6.852 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.873 -12.579 -5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 82 6.197 -13.534 -4.105 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.931 -14.007 -6.653 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.773 -14.264 -2.561 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.179 -14.799 -6.069 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.021 -15.050 -1.972 1.00 0.00 H new ATOM 0 HH TYR A 82 12.656 -14.737 -3.909 1.00 0.00 H new ATOM 1324 N ASN A 83 4.647 -15.734 -4.535 1.00 0.00 N ATOM 1325 CA ASN A 83 4.153 -16.918 -3.843 1.00 0.00 C ATOM 1326 C ASN A 83 2.904 -17.467 -4.526 1.00 0.00 C ATOM 1327 O ASN A 83 2.379 -16.861 -5.461 1.00 0.00 O ATOM 1328 CB ASN A 83 3.846 -16.590 -2.381 1.00 0.00 C ATOM 1329 CG ASN A 83 4.953 -15.789 -1.723 1.00 0.00 C ATOM 1330 OD1 ASN A 83 6.098 -16.238 -1.647 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.617 -14.599 -1.242 1.00 0.00 N ATOM 0 H ASN A 83 4.140 -14.876 -4.317 1.00 0.00 H new ATOM 0 HA ASN A 83 4.931 -17.680 -3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.913 -16.029 -2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.694 -17.517 -1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.319 -14.016 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.656 -14.267 -1.327 1.00 0.00 H new ATOM 1338 N ALA A 84 2.433 -18.615 -4.052 1.00 0.00 N ATOM 1339 CA ALA A 84 1.245 -19.244 -4.615 1.00 0.00 C ATOM 1340 C ALA A 84 0.130 -19.338 -3.579 1.00 0.00 C ATOM 1341 O ALA A 84 0.379 -19.260 -2.375 1.00 0.00 O ATOM 1342 CB ALA A 84 1.584 -20.626 -5.154 1.00 0.00 C ATOM 0 H ALA A 84 2.856 -19.129 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 84 0.891 -18.622 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.687 -21.084 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.342 -20.537 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.966 -21.248 -4.345 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.100 -19.505 -4.053 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.254 -19.609 -3.168 1.00 0.00 C ATOM 1350 C LYS A 85 -1.964 -20.551 -2.004 1.00 0.00 C ATOM 1351 O LYS A 85 -2.385 -20.305 -0.873 1.00 0.00 O ATOM 1352 CB LYS A 85 -3.476 -20.104 -3.945 1.00 0.00 C ATOM 1353 CG LYS A 85 -3.806 -19.257 -5.163 1.00 0.00 C ATOM 1354 CD LYS A 85 -4.421 -20.091 -6.272 1.00 0.00 C ATOM 1355 CE LYS A 85 -3.396 -21.018 -6.908 1.00 0.00 C ATOM 1356 NZ LYS A 85 -2.704 -20.372 -8.059 1.00 0.00 N ATOM 0 H LYS A 85 -1.323 -19.571 -5.046 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.463 -18.617 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.302 -21.132 -4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.338 -20.119 -3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.496 -18.463 -4.879 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.899 -18.776 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.246 -20.680 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.840 -19.433 -7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.660 -21.313 -6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.890 -21.929 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.014 -21.035 -8.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.404 -20.113 -8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.211 -19.516 -7.732 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.241 -21.629 -2.288 1.00 0.00 N ATOM 1371 CA ASP A 86 -0.892 -22.607 -1.263 1.00 0.00 C ATOM 1372 C ASP A 86 -0.311 -21.919 -0.031 1.00 0.00 C ATOM 1373 O ASP A 86 -0.610 -22.296 1.102 1.00 0.00 O ATOM 1374 CB ASP A 86 0.111 -23.621 -1.817 1.00 0.00 C ATOM 1375 CG ASP A 86 -0.562 -24.741 -2.586 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -1.138 -24.461 -3.658 1.00 0.00 O ATOM 1377 OD2 ASP A 86 -0.515 -25.896 -2.115 1.00 0.00 O ATOM 0 H ASP A 86 -0.885 -21.848 -3.219 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.802 -23.130 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.817 -23.109 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.687 -24.044 -0.994 1.00 0.00 H new ATOM 1382 N THR A 87 0.522 -20.909 -0.261 1.00 0.00 N ATOM 1383 CA THR A 87 1.146 -20.171 0.830 1.00 0.00 C ATOM 1384 C THR A 87 0.128 -19.302 1.560 1.00 0.00 C ATOM 1385 O THR A 87 -1.032 -19.216 1.155 1.00 0.00 O ATOM 1386 CB THR A 87 2.293 -19.277 0.319 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.772 -18.244 -0.524 1.00 0.00 O ATOM 1388 CG2 THR A 87 3.316 -20.099 -0.451 1.00 0.00 C ATOM 0 H THR A 87 0.780 -20.584 -1.193 1.00 0.00 H new ATOM 0 HA THR A 87 1.550 -20.911 1.521 1.00 0.00 H new ATOM 0 HB THR A 87 2.785 -18.827 1.181 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.023 -18.596 -1.048 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.116 -19.448 -0.802 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.733 -20.866 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.833 -20.573 -1.305 1.00 0.00 H new ATOM 1396 N ILE A 88 0.568 -18.661 2.637 1.00 0.00 N ATOM 1397 CA ILE A 88 -0.305 -17.798 3.423 1.00 0.00 C ATOM 1398 C ILE A 88 -0.287 -16.369 2.893 1.00 0.00 C ATOM 1399 O ILE A 88 -1.315 -15.839 2.468 1.00 0.00 O ATOM 1400 CB ILE A 88 0.100 -17.789 4.908 1.00 0.00 C ATOM 1401 CG1 ILE A 88 -0.553 -18.959 5.646 1.00 0.00 C ATOM 1402 CG2 ILE A 88 -0.287 -16.466 5.553 1.00 0.00 C ATOM 1403 CD1 ILE A 88 -0.392 -18.891 7.148 1.00 0.00 C ATOM 0 H ILE A 88 1.525 -18.723 2.986 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.313 -18.203 3.333 1.00 0.00 H new ATOM 0 HB ILE A 88 1.182 -17.902 4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.615 -18.984 5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.122 -19.892 5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.005 -16.474 6.603 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.221 -15.649 5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.365 -16.326 5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.879 -19.752 7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.668 -18.897 7.401 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.849 -17.975 7.522 1.00 0.00 H new ATOM 1415 N PHE A 89 0.888 -15.749 2.917 1.00 0.00 N ATOM 1416 CA PHE A 89 1.041 -14.381 2.438 1.00 0.00 C ATOM 1417 C PHE A 89 0.184 -14.139 1.199 1.00 0.00 C ATOM 1418 O PHE A 89 -0.218 -13.010 0.919 1.00 0.00 O ATOM 1419 CB PHE A 89 2.510 -14.090 2.121 1.00 0.00 C ATOM 1420 CG PHE A 89 3.472 -14.837 3.000 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.287 -14.878 4.373 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.561 -15.497 2.454 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.171 -15.563 5.184 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.448 -16.184 3.261 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.253 -16.218 4.628 1.00 0.00 C ATOM 0 H PHE A 89 1.749 -16.173 3.263 1.00 0.00 H new ATOM 0 HA PHE A 89 0.706 -13.707 3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.707 -14.347 1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.691 -13.020 2.225 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.443 -14.369 4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.718 -15.474 1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.016 -15.587 6.253 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.293 -16.694 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.944 -16.755 5.260 1.00 0.00 H new ATOM 1435 N TYR A 90 -0.090 -15.208 0.459 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.896 -15.114 -0.752 1.00 0.00 C ATOM 1437 C TYR A 90 -2.345 -14.776 -0.416 1.00 0.00 C ATOM 1438 O TYR A 90 -2.923 -13.843 -0.974 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.834 -16.425 -1.536 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.596 -16.388 -2.841 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.980 -16.264 -2.857 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.933 -16.475 -4.058 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.681 -16.230 -4.047 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -1.625 -16.441 -5.253 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.998 -16.319 -5.243 1.00 0.00 C ATOM 1446 OH TYR A 90 -3.693 -16.284 -6.430 1.00 0.00 O ATOM 0 H TYR A 90 0.235 -16.150 0.677 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.488 -14.312 -1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.209 -16.667 -1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.232 -17.228 -0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.517 -16.193 -1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.143 -16.571 -4.070 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.757 -16.134 -4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.093 -16.510 -6.190 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.065 -16.357 -7.179 1.00 0.00 H new ATOM 1456 N ARG A 91 -2.928 -15.545 0.499 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.310 -15.329 0.909 1.00 0.00 C ATOM 1458 C ARG A 91 -4.462 -13.993 1.630 1.00 0.00 C ATOM 1459 O ARG A 91 -5.365 -13.213 1.329 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.777 -16.467 1.820 1.00 0.00 C ATOM 1461 CG ARG A 91 -5.171 -17.726 1.066 1.00 0.00 C ATOM 1462 CD ARG A 91 -3.991 -18.670 0.902 1.00 0.00 C ATOM 1463 NE ARG A 91 -3.891 -19.619 2.008 1.00 0.00 N ATOM 1464 CZ ARG A 91 -4.755 -20.608 2.209 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -5.777 -20.777 1.383 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -4.595 -21.430 3.238 1.00 0.00 N ATOM 0 H ARG A 91 -2.465 -16.322 0.970 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.930 -15.311 0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.980 -16.709 2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.628 -16.124 2.408 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.974 -18.235 1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.562 -17.456 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.091 -19.216 -0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.070 -18.091 0.837 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.115 -19.517 2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.902 -20.147 0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.439 -21.537 1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.809 -21.303 3.875 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.258 -22.189 3.392 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.571 -13.736 2.583 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.606 -12.494 3.345 1.00 0.00 C ATOM 1482 C ALA A 92 -3.666 -11.283 2.420 1.00 0.00 C ATOM 1483 O ALA A 92 -4.377 -10.316 2.693 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.392 -12.401 4.259 1.00 0.00 C ATOM 0 H ALA A 92 -2.817 -14.371 2.845 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.509 -12.498 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.431 -11.469 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.392 -13.243 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.482 -12.425 3.659 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.916 -11.344 1.324 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.886 -10.253 0.358 1.00 0.00 C ATOM 1492 C ALA A 93 -4.229 -10.108 -0.349 1.00 0.00 C ATOM 1493 O ALA A 93 -4.705 -8.997 -0.580 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.775 -10.476 -0.657 1.00 0.00 C ATOM 0 H ALA A 93 -2.322 -12.137 1.083 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.688 -9.328 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.765 -9.653 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.815 -10.521 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.948 -11.414 -1.185 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.837 -11.241 -0.692 1.00 0.00 N ATOM 1501 CA VAL A 94 -6.125 -11.240 -1.374 1.00 0.00 C ATOM 1502 C VAL A 94 -7.158 -10.429 -0.598 1.00 0.00 C ATOM 1503 O VAL A 94 -7.834 -9.568 -1.159 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.657 -12.672 -1.570 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -8.154 -12.656 -1.836 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.914 -13.366 -2.702 1.00 0.00 C ATOM 0 H VAL A 94 -4.458 -12.170 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.965 -10.782 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.482 -13.233 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.510 -13.677 -1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.669 -12.201 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.357 -12.078 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.303 -14.377 -2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.055 -12.806 -3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.851 -13.413 -2.465 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.271 -10.711 0.696 1.00 0.00 N ATOM 1517 CA ARG A 95 -8.221 -10.007 1.550 1.00 0.00 C ATOM 1518 C ARG A 95 -7.948 -8.506 1.544 1.00 0.00 C ATOM 1519 O ARG A 95 -8.865 -7.698 1.385 1.00 0.00 O ATOM 1520 CB ARG A 95 -8.148 -10.544 2.980 1.00 0.00 C ATOM 1521 CG ARG A 95 -9.031 -9.789 3.960 1.00 0.00 C ATOM 1522 CD ARG A 95 -9.519 -10.693 5.081 1.00 0.00 C ATOM 1523 NE ARG A 95 -10.788 -11.337 4.752 1.00 0.00 N ATOM 1524 CZ ARG A 95 -11.256 -12.407 5.386 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -10.564 -12.949 6.377 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -12.420 -12.935 5.028 1.00 0.00 N ATOM 0 H ARG A 95 -6.717 -11.421 1.176 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.223 -10.178 1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.436 -11.595 2.979 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.115 -10.497 3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.475 -8.952 4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.887 -9.369 3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.768 -11.456 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.635 -10.108 5.994 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.346 -10.944 3.994 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.670 -12.545 6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.926 -13.770 6.862 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.956 -12.519 4.266 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.779 -13.756 5.515 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.684 -8.139 1.721 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.291 -6.734 1.737 1.00 0.00 C ATOM 1542 C LEU A 96 -6.786 -6.015 0.487 1.00 0.00 C ATOM 1543 O LEU A 96 -7.364 -4.931 0.569 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.769 -6.611 1.841 1.00 0.00 C ATOM 1545 CG LEU A 96 -4.167 -6.867 3.223 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.657 -7.019 3.128 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.533 -5.742 4.180 1.00 0.00 C ATOM 0 H LEU A 96 -5.914 -8.794 1.855 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.748 -6.265 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.319 -7.310 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.483 -5.609 1.522 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.581 -7.797 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.246 -7.201 4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.416 -7.859 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.225 -6.106 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.096 -5.940 5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.148 -4.798 3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.617 -5.681 4.272 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.558 -6.627 -0.671 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.982 -6.046 -1.940 1.00 0.00 C ATOM 1561 C ARG A 97 -8.501 -5.906 -1.991 1.00 0.00 C ATOM 1562 O ARG A 97 -9.026 -4.945 -2.554 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.498 -6.907 -3.106 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.922 -6.382 -4.468 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.418 -7.275 -5.591 1.00 0.00 C ATOM 1566 NE ARG A 97 -6.947 -6.870 -6.891 1.00 0.00 N ATOM 1567 CZ ARG A 97 -6.515 -7.363 -8.047 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -5.552 -8.274 -8.063 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -7.046 -6.945 -9.188 1.00 0.00 N ATOM 0 H ARG A 97 -6.082 -7.525 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.540 -5.053 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.410 -6.970 -3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.880 -7.920 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.009 -6.319 -4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.538 -5.371 -4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.329 -7.245 -5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.703 -8.307 -5.389 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.689 -6.170 -6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.141 -8.598 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.222 -8.651 -8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.787 -6.244 -9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.713 -7.324 -10.074 1.00 0.00 H new ATOM 1583 N GLU A 98 -9.200 -6.871 -1.402 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.658 -6.855 -1.384 1.00 0.00 C ATOM 1585 C GLU A 98 -11.178 -5.761 -0.456 1.00 0.00 C ATOM 1586 O GLU A 98 -11.797 -4.796 -0.904 1.00 0.00 O ATOM 1587 CB GLU A 98 -11.199 -8.215 -0.942 1.00 0.00 C ATOM 1588 CG GLU A 98 -11.198 -9.260 -2.045 1.00 0.00 C ATOM 1589 CD GLU A 98 -12.189 -8.944 -3.149 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -13.361 -9.358 -3.030 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -11.792 -8.282 -4.130 1.00 0.00 O ATOM 0 H GLU A 98 -8.781 -7.673 -0.931 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.007 -6.645 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.601 -8.580 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.217 -8.089 -0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.197 -9.333 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.435 -10.234 -1.617 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.923 -5.922 0.838 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.367 -4.948 1.830 1.00 0.00 C ATOM 1600 C GLN A 99 -10.702 -3.595 1.600 1.00 0.00 C ATOM 1601 O GLN A 99 -11.375 -2.570 1.504 1.00 0.00 O ATOM 1602 CB GLN A 99 -11.058 -5.450 3.241 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.627 -6.827 3.536 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.642 -7.149 5.018 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.399 -6.279 5.856 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.927 -8.402 5.349 1.00 0.00 N ATOM 0 H GLN A 99 -10.412 -6.716 1.224 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.445 -4.824 1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.977 -5.476 3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.456 -4.739 3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.643 -6.887 3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.038 -7.579 3.011 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.122 -9.090 4.622 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.951 -8.677 6.331 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.374 -3.601 1.515 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.641 -2.367 1.298 1.00 0.00 C ATOM 1617 C GLY A 100 -9.293 -1.479 0.258 1.00 0.00 C ATOM 1618 O GLY A 100 -9.314 -0.257 0.401 1.00 0.00 O ATOM 0 H GLY A 100 -8.794 -4.437 1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.565 -1.823 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.624 -2.603 0.984 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.826 -2.095 -0.793 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.473 -1.336 -1.847 1.00 0.00 C ATOM 1624 C GLY A 101 -11.393 -0.260 -1.306 1.00 0.00 C ATOM 1625 O GLY A 101 -11.502 0.822 -1.883 1.00 0.00 O ATOM 0 H GLY A 101 -9.821 -3.105 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.713 -0.876 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.045 -2.014 -2.480 1.00 0.00 H new ATOM 1629 N ALA A 102 -12.060 -0.557 -0.195 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.976 0.392 0.424 1.00 0.00 C ATOM 1631 C ALA A 102 -12.215 1.526 1.103 1.00 0.00 C ATOM 1632 O ALA A 102 -12.661 2.673 1.105 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.875 -0.317 1.426 1.00 0.00 C ATOM 0 H ALA A 102 -11.982 -1.448 0.295 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.597 0.824 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.554 0.405 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.453 -1.087 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.263 -0.778 2.202 1.00 0.00 H new ATOM 1639 N VAL A 103 -11.063 1.197 1.680 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.240 2.188 2.362 1.00 0.00 C ATOM 1641 C VAL A 103 -9.623 3.167 1.370 1.00 0.00 C ATOM 1642 O VAL A 103 -9.459 4.351 1.669 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.113 1.519 3.173 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.164 2.567 3.733 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.697 0.664 4.288 1.00 0.00 C ATOM 0 H VAL A 103 -10.679 0.252 1.688 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.896 2.730 3.043 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.545 0.869 2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.375 2.076 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.721 3.132 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.714 3.245 4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.888 0.199 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.290 1.291 4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.332 -0.110 3.858 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.283 2.667 0.187 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.684 3.499 -0.851 1.00 0.00 C ATOM 1657 C LEU A 104 -9.754 4.284 -1.603 1.00 0.00 C ATOM 1658 O LEU A 104 -9.462 5.301 -2.235 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.888 2.633 -1.829 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.580 2.046 -1.296 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.971 1.092 -2.311 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.600 3.158 -0.952 1.00 0.00 C ATOM 0 H LEU A 104 -9.412 1.690 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.009 4.208 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.525 1.811 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.661 3.232 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.798 1.486 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.041 0.684 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.669 0.278 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.766 1.629 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.675 2.723 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.387 3.745 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.035 3.804 -0.189 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.991 3.807 -1.530 1.00 0.00 N ATOM 1675 CA ARG A 105 -12.105 4.465 -2.204 1.00 0.00 C ATOM 1676 C ARG A 105 -12.741 5.517 -1.301 1.00 0.00 C ATOM 1677 O ARG A 105 -13.192 6.562 -1.771 1.00 0.00 O ATOM 1678 CB ARG A 105 -13.156 3.435 -2.624 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.899 2.827 -3.993 1.00 0.00 C ATOM 1680 CD ARG A 105 -14.186 2.328 -4.630 1.00 0.00 C ATOM 1681 NE ARG A 105 -14.955 3.413 -5.233 1.00 0.00 N ATOM 1682 CZ ARG A 105 -16.237 3.308 -5.567 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -16.888 2.172 -5.360 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -16.868 4.340 -6.111 1.00 0.00 N ATOM 0 H ARG A 105 -11.248 2.967 -1.011 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.717 4.961 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.188 2.637 -1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.137 3.909 -2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.435 3.570 -4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.194 2.001 -3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.949 1.585 -5.391 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.794 1.829 -3.876 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.482 4.300 -5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -16.405 1.376 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -17.872 2.094 -5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.369 5.215 -6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -17.852 4.259 -6.367 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.774 5.234 -0.003 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.357 6.156 0.966 1.00 0.00 C ATOM 1700 C GLN A 106 -12.458 7.371 1.169 1.00 0.00 C ATOM 1701 O GLN A 106 -12.935 8.462 1.481 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.586 5.447 2.302 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.302 4.996 2.980 1.00 0.00 C ATOM 1704 CD GLN A 106 -11.720 6.058 3.892 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -10.713 6.688 3.568 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -12.353 6.262 5.042 1.00 0.00 N ATOM 0 H GLN A 106 -12.404 4.374 0.402 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.316 6.497 0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.125 6.117 2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.225 4.579 2.138 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.499 4.094 3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.567 4.733 2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.184 5.717 5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.008 6.964 5.697 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.156 7.174 0.990 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.190 8.255 1.152 1.00 0.00 C ATOM 1717 C ALA A 107 -10.011 9.030 -0.149 1.00 0.00 C ATOM 1718 O ALA A 107 -9.850 10.250 -0.139 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.857 7.703 1.629 1.00 0.00 C ATOM 0 H ALA A 107 -10.745 6.276 0.733 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.574 8.944 1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.145 8.520 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.993 7.201 2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.475 6.991 0.897 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.038 8.312 -1.268 1.00 0.00 N ATOM 1726 CA ARG A 108 -9.875 8.934 -2.577 1.00 0.00 C ATOM 1727 C ARG A 108 -10.804 10.134 -2.729 1.00 0.00 C ATOM 1728 O ARG A 108 -10.367 11.229 -3.084 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.155 7.916 -3.685 1.00 0.00 C ATOM 1730 CG ARG A 108 -10.299 8.541 -5.064 1.00 0.00 C ATOM 1731 CD ARG A 108 -9.935 7.556 -6.164 1.00 0.00 C ATOM 1732 NE ARG A 108 -10.922 6.487 -6.289 1.00 0.00 N ATOM 1733 CZ ARG A 108 -12.048 6.603 -6.984 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -12.328 7.735 -7.612 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -12.896 5.585 -7.051 1.00 0.00 N ATOM 0 H ARG A 108 -10.171 7.301 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.845 9.281 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.346 7.186 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.068 7.372 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.325 8.882 -5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -9.658 9.420 -5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.853 8.086 -7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.957 7.124 -5.954 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.736 5.602 -5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.678 8.520 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.193 7.822 -8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -12.684 4.712 -6.568 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.760 5.676 -7.585 1.00 0.00 H new ATOM 1749 N ARG A 109 -12.088 9.921 -2.458 1.00 0.00 N ATOM 1750 CA ARG A 109 -13.078 10.985 -2.566 1.00 0.00 C ATOM 1751 C ARG A 109 -12.600 12.248 -1.854 1.00 0.00 C ATOM 1752 O ARG A 109 -12.864 13.362 -2.304 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.415 10.529 -1.975 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.413 10.447 -0.458 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.394 9.398 0.044 1.00 0.00 C ATOM 1756 NE ARG A 109 -16.772 9.880 0.016 1.00 0.00 N ATOM 1757 CZ ARG A 109 -17.791 9.227 0.565 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -17.585 8.070 1.181 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -19.016 9.730 0.499 1.00 0.00 N ATOM 0 H ARG A 109 -12.466 9.021 -2.162 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.214 11.214 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.197 11.219 -2.292 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.668 9.551 -2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.410 10.206 -0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.672 11.419 -0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -15.311 8.501 -0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.130 9.113 1.062 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.963 10.767 -0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -16.644 7.681 1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -18.368 7.570 1.602 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -19.177 10.619 0.026 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -19.797 9.228 0.921 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.898 12.063 -0.741 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.384 13.187 0.033 1.00 0.00 C ATOM 1775 C GLN A 110 -10.327 13.952 -0.755 1.00 0.00 C ATOM 1776 O GLN A 110 -10.469 15.149 -1.004 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.795 12.695 1.356 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.782 11.914 2.209 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.477 12.010 3.691 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -11.002 11.052 4.302 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.748 13.170 4.277 1.00 0.00 N ATOM 0 H GLN A 110 -11.672 11.146 -0.355 1.00 0.00 H new ATOM 0 HA GLN A 110 -12.214 13.862 0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.930 12.065 1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.435 13.552 1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.790 12.286 2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.769 10.867 1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -12.141 13.937 3.732 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.563 13.294 5.272 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.265 13.254 -1.144 1.00 0.00 N ATOM 1791 CA ALA A 111 -8.185 13.869 -1.906 1.00 0.00 C ATOM 1792 C ALA A 111 -8.731 14.795 -2.986 1.00 0.00 C ATOM 1793 O ALA A 111 -8.053 15.727 -3.418 1.00 0.00 O ATOM 1794 CB ALA A 111 -7.300 12.797 -2.525 1.00 0.00 C ATOM 0 H ALA A 111 -9.130 12.263 -0.944 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.586 14.469 -1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.498 13.270 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.872 12.179 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.896 12.174 -3.192 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.961 14.532 -3.419 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.597 15.342 -4.451 1.00 0.00 C ATOM 1802 C GLU A 112 -11.399 16.482 -3.829 1.00 0.00 C ATOM 1803 O GLU A 112 -11.324 17.627 -4.278 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.511 14.476 -5.320 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.781 13.352 -6.038 1.00 0.00 C ATOM 1806 CD GLU A 112 -11.472 12.937 -7.322 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -12.693 13.164 -7.441 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -10.789 12.384 -8.210 1.00 0.00 O ATOM 0 H GLU A 112 -10.536 13.765 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.813 15.770 -5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.295 14.048 -4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.003 15.109 -6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.763 13.670 -6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.706 12.490 -5.375 1.00 0.00 H new ATOM 1815 N LYS A 113 -12.166 16.162 -2.794 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.984 17.156 -2.108 1.00 0.00 C ATOM 1817 C LYS A 113 -12.120 18.299 -1.581 1.00 0.00 C ATOM 1818 O LYS A 113 -12.584 19.431 -1.453 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.751 16.509 -0.954 1.00 0.00 C ATOM 1820 CG LYS A 113 -12.998 16.529 0.365 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.853 16.000 1.504 1.00 0.00 C ATOM 1822 CE LYS A 113 -14.760 17.082 2.070 1.00 0.00 C ATOM 1823 NZ LYS A 113 -14.008 18.048 2.917 1.00 0.00 N ATOM 0 H LYS A 113 -12.239 15.220 -2.410 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.697 17.562 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.703 17.025 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.981 15.476 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.094 15.927 0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.682 17.548 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.458 15.166 1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.209 15.613 2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.243 17.616 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -15.551 16.620 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -14.679 18.654 3.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -13.419 17.527 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -13.400 18.638 2.314 1.00 0.00 H new ATOM 1837 N MET A 114 -10.863 17.994 -1.280 1.00 0.00 N ATOM 1838 CA MET A 114 -9.935 18.997 -0.769 1.00 0.00 C ATOM 1839 C MET A 114 -10.177 20.349 -1.433 1.00 0.00 C ATOM 1840 O MET A 114 -10.004 21.396 -0.812 1.00 0.00 O ATOM 1841 CB MET A 114 -8.491 18.551 -1.004 1.00 0.00 C ATOM 1842 CG MET A 114 -8.121 17.274 -0.268 1.00 0.00 C ATOM 1843 SD MET A 114 -7.696 17.565 1.460 1.00 0.00 S ATOM 1844 CE MET A 114 -7.035 15.965 1.920 1.00 0.00 C ATOM 0 H MET A 114 -10.463 17.061 -1.381 1.00 0.00 H new ATOM 0 HA MET A 114 -10.105 19.103 0.302 1.00 0.00 H new ATOM 0 HB2 MET A 114 -8.335 18.403 -2.073 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.818 19.349 -0.691 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.956 16.575 -0.320 1.00 0.00 H new ATOM 0 HG3 MET A 114 -7.277 16.801 -0.771 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.520 16.046 2.877 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.850 15.246 2.005 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.332 15.629 1.158 1.00 0.00 H new