USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 926 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 104 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Set 1.3: A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 72 CYS SG : rot 80:sc= 1.05 USER MOD Set 2.2: A 90 CYS SG : rot 28:sc= -1.04 USER MOD Set 3.1: A 81 THR OG1 : rot -81:sc= 0.899 USER MOD Set 3.2: A 86 LYS NZ :NH3+ -178:sc= 1.74 (180deg=0.879) USER MOD Set 4.1: A 62 CYS SG : rot 180:sc= 0.772 USER MOD Set 4.2: A 76 CYS SG : rot -38:sc= 0.479 USER MOD Set 5.1: A 48 SER OG : rot 180:sc= 0.401 USER MOD Set 5.2: A 57 ASN : amide:sc= 1.66 K(o=2.1,f=-2.9!) USER MOD Set 6.1: A 43 THR OG1 : rot 180:sc= 0.528 USER MOD Set 6.2: A 49 LYS NZ :NH3+ 156:sc= 0.564 (180deg=0) USER MOD Set 7.1: A 35 SER OG : rot -149:sc= 0.587 USER MOD Set 7.2: A 40 LYS NZ :NH3+ -157:sc= 0.664 (180deg=0) USER MOD Set 8.1: A 34 SER OG : rot 80:sc= -0.0187 USER MOD Set 8.2: A 42 ASN : amide:sc= 0.927 K(o=2.2,f=0.46) USER MOD Set 8.3: A 55 GLN : amide:sc= 1.33 K(o=2.2,f=-0.24) USER MOD Set 9.1: A 28 CYS SG : rot 180:sc= 0.558 USER MOD Set 9.2: A 32 HIS : no HD1:sc= 0 X(o=0.57,f=0.61) USER MOD Set 9.3: A 110 CYS SG : rot -54:sc= 0.0131 USER MOD Set10.1: A 7 CYS SG : rot 180:sc= 0.526 USER MOD Set10.2: A 120 CYS SG : rot -59:sc= 0.25 USER MOD Set11.1: A 1 GLY N :NH3+ -172:sc= 0.421 (180deg=0.226) USER MOD Set11.2: A 39 SER OG : rot 180:sc= 0.225 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -37:sc= 0.441 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 1.03 K(o=1,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.123 K(o=-0.12,f=-2) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.198 (180deg=-3.91!) USER MOD Single : A 25 ASN : amide:sc= 0.576 K(o=0.58,f=-3!) USER MOD Single : A 38 THR OG1 : rot 162:sc= 0.931 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 1.26 K(o=1.3,f=0) USER MOD Single : A 46 ASN : amide:sc= 0.584 K(o=0.58,f=-2.7!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= 0.93 (180deg=0.716) USER MOD Single : A 73 ASN : amide:sc= -0.045 K(o=-0.045,f=-0.82) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0.58 (180deg=0.543) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.184) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.023) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 1.7 K(o=1.7,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.525 -8.327 10.015 1.00 0.00 N ATOM 2 CA GLY A 1 -7.862 -7.701 8.722 1.00 0.00 C ATOM 3 C GLY A 1 -8.621 -8.645 7.807 1.00 0.00 C ATOM 4 O GLY A 1 -9.322 -9.543 8.273 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.130 -7.609 10.656 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.384 -8.734 10.438 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.823 -9.080 9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.462 -6.808 8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.946 -7.377 8.228 1.00 0.00 H new ATOM 10 N LYS A 2 -8.491 -8.436 6.495 1.00 0.00 N ATOM 11 CA LYS A 2 -9.167 -9.183 5.427 1.00 0.00 C ATOM 12 C LYS A 2 -8.424 -9.087 4.078 1.00 0.00 C ATOM 13 O LYS A 2 -7.615 -8.176 3.864 1.00 0.00 O ATOM 14 CB LYS A 2 -10.627 -8.696 5.300 1.00 0.00 C ATOM 15 CG LYS A 2 -10.754 -7.270 4.727 1.00 0.00 C ATOM 16 CD LYS A 2 -12.210 -6.803 4.587 1.00 0.00 C ATOM 17 CE LYS A 2 -12.961 -7.585 3.499 1.00 0.00 C ATOM 18 NZ LYS A 2 -14.343 -7.073 3.311 1.00 0.00 N ATOM 0 H LYS A 2 -7.881 -7.705 6.128 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.163 -10.238 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.177 -9.386 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.098 -8.727 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.217 -6.576 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.272 -7.233 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.723 -6.924 5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.229 -5.740 4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.415 -7.515 2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.997 -8.641 3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.820 -7.624 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.871 -7.163 4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.307 -6.072 3.029 1.00 0.00 H new ATOM 32 N THR A 3 -8.760 -9.991 3.149 1.00 0.00 N ATOM 33 CA THR A 3 -8.215 -10.034 1.781 1.00 0.00 C ATOM 34 C THR A 3 -9.258 -9.553 0.777 1.00 0.00 C ATOM 35 O THR A 3 -10.418 -9.962 0.832 1.00 0.00 O ATOM 36 CB THR A 3 -7.718 -11.439 1.418 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.054 -12.039 2.511 1.00 0.00 O ATOM 38 CG2 THR A 3 -6.745 -11.383 0.239 1.00 0.00 C ATOM 0 H THR A 3 -9.436 -10.733 3.330 1.00 0.00 H new ATOM 0 HA THR A 3 -7.357 -9.362 1.741 1.00 0.00 H new ATOM 0 HB THR A 3 -8.594 -12.030 1.150 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.544 -11.358 2.998 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.406 -12.391 -0.001 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.248 -10.954 -0.628 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.887 -10.765 0.504 1.00 0.00 H new ATOM 46 N PHE A 4 -8.830 -8.687 -0.140 1.00 0.00 N ATOM 47 CA PHE A 4 -9.629 -8.105 -1.220 1.00 0.00 C ATOM 48 C PHE A 4 -9.381 -8.852 -2.540 1.00 0.00 C ATOM 49 O PHE A 4 -8.322 -9.454 -2.748 1.00 0.00 O ATOM 50 CB PHE A 4 -9.283 -6.603 -1.355 1.00 0.00 C ATOM 51 CG PHE A 4 -9.742 -5.736 -0.189 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.078 -5.800 1.054 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.845 -4.871 -0.336 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.545 -5.051 2.149 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.313 -4.127 0.761 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.673 -4.225 2.007 1.00 0.00 C ATOM 0 H PHE A 4 -7.866 -8.354 -0.151 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.688 -8.204 -0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.203 -6.501 -1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.732 -6.222 -2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.206 -6.428 1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.333 -4.779 -1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -9.036 -5.111 3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.168 -3.478 0.645 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.046 -3.667 2.853 1.00 0.00 H new ATOM 66 N THR A 5 -10.350 -8.773 -3.455 1.00 0.00 N ATOM 67 CA THR A 5 -10.220 -9.204 -4.862 1.00 0.00 C ATOM 68 C THR A 5 -9.862 -7.989 -5.711 1.00 0.00 C ATOM 69 O THR A 5 -10.096 -6.864 -5.272 1.00 0.00 O ATOM 70 CB THR A 5 -11.484 -9.932 -5.336 1.00 0.00 C ATOM 71 OG1 THR A 5 -11.196 -10.487 -6.599 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.720 -9.040 -5.471 1.00 0.00 C ATOM 0 H THR A 5 -11.274 -8.399 -3.239 1.00 0.00 H new ATOM 0 HA THR A 5 -9.416 -9.933 -4.965 1.00 0.00 H new ATOM 0 HB THR A 5 -11.731 -10.676 -4.579 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.984 -10.964 -6.934 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.565 -9.638 -5.811 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.955 -8.596 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.521 -8.249 -6.195 1.00 0.00 H new ATOM 80 N ARG A 6 -9.298 -8.172 -6.911 1.00 0.00 N ATOM 81 CA ARG A 6 -8.836 -7.051 -7.747 1.00 0.00 C ATOM 82 C ARG A 6 -9.959 -6.042 -8.026 1.00 0.00 C ATOM 83 O ARG A 6 -9.772 -4.844 -7.818 1.00 0.00 O ATOM 84 CB ARG A 6 -8.199 -7.576 -9.044 1.00 0.00 C ATOM 85 CG ARG A 6 -7.473 -6.451 -9.807 1.00 0.00 C ATOM 86 CD ARG A 6 -6.757 -6.966 -11.060 1.00 0.00 C ATOM 87 NE ARG A 6 -5.643 -7.868 -10.718 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.241 -8.948 -11.373 1.00 0.00 C ATOM 89 NH1 ARG A 6 -5.858 -9.399 -12.446 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.180 -9.590 -10.943 1.00 0.00 N ATOM 0 H ARG A 6 -9.149 -9.090 -7.329 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.070 -6.510 -7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.493 -8.373 -8.808 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.970 -8.011 -9.680 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.194 -5.685 -10.092 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.748 -5.976 -9.146 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.469 -7.492 -11.696 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.378 -6.122 -11.636 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.118 -7.633 -9.876 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.680 -8.913 -12.804 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.514 -10.235 -12.919 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.681 -9.256 -10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.855 -10.423 -11.433 1.00 0.00 H new ATOM 104 N CYS A 7 -11.156 -6.512 -8.390 1.00 0.00 N ATOM 105 CA CYS A 7 -12.329 -5.650 -8.626 1.00 0.00 C ATOM 106 C CYS A 7 -12.757 -4.859 -7.379 1.00 0.00 C ATOM 107 O CYS A 7 -13.117 -3.688 -7.489 1.00 0.00 O ATOM 108 CB CYS A 7 -13.493 -6.503 -9.153 1.00 0.00 C ATOM 109 SG CYS A 7 -13.128 -7.442 -10.662 1.00 0.00 S ATOM 0 H CYS A 7 -11.344 -7.504 -8.531 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.043 -4.908 -9.371 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.796 -7.201 -8.372 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.345 -5.851 -9.345 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.177 -8.124 -11.013 1.00 0.00 H new ATOM 114 N GLY A 8 -12.632 -5.461 -6.190 1.00 0.00 N ATOM 115 CA GLY A 8 -12.900 -4.809 -4.904 1.00 0.00 C ATOM 116 C GLY A 8 -11.824 -3.781 -4.562 1.00 0.00 C ATOM 117 O GLY A 8 -12.154 -2.664 -4.183 1.00 0.00 O ATOM 0 H GLY A 8 -12.336 -6.432 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.874 -4.320 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.949 -5.561 -4.117 1.00 0.00 H new ATOM 121 N LEU A 9 -10.545 -4.120 -4.757 1.00 0.00 N ATOM 122 CA LEU A 9 -9.403 -3.235 -4.552 1.00 0.00 C ATOM 123 C LEU A 9 -9.441 -2.027 -5.493 1.00 0.00 C ATOM 124 O LEU A 9 -9.346 -0.907 -5.003 1.00 0.00 O ATOM 125 CB LEU A 9 -8.119 -4.075 -4.697 1.00 0.00 C ATOM 126 CG LEU A 9 -6.842 -3.270 -4.414 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.832 -2.723 -2.982 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.608 -4.143 -4.659 1.00 0.00 C ATOM 0 H LEU A 9 -10.272 -5.051 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.433 -2.807 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.167 -4.923 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.069 -4.482 -5.707 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.820 -2.419 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.915 -2.158 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.692 -2.070 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.882 -3.552 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.707 -3.564 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.639 -5.010 -3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.599 -4.477 -5.697 1.00 0.00 H new ATOM 140 N VAL A 10 -9.656 -2.226 -6.798 1.00 0.00 N ATOM 141 CA VAL A 10 -9.839 -1.131 -7.777 1.00 0.00 C ATOM 142 C VAL A 10 -10.890 -0.127 -7.274 1.00 0.00 C ATOM 143 O VAL A 10 -10.656 1.078 -7.276 1.00 0.00 O ATOM 144 CB VAL A 10 -10.245 -1.675 -9.173 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.753 -0.572 -10.115 1.00 0.00 C ATOM 146 CG2 VAL A 10 -9.075 -2.380 -9.877 1.00 0.00 C ATOM 0 H VAL A 10 -9.710 -3.155 -7.215 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.881 -0.621 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.049 -2.383 -8.973 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.022 -1.010 -11.076 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.628 -0.093 -9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.969 0.171 -10.262 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.403 -2.745 -10.850 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.254 -1.676 -10.011 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.737 -3.220 -9.269 1.00 0.00 H new ATOM 156 N HIS A 11 -12.025 -0.622 -6.777 1.00 0.00 N ATOM 157 CA HIS A 11 -13.114 0.203 -6.237 1.00 0.00 C ATOM 158 C HIS A 11 -12.748 0.902 -4.913 1.00 0.00 C ATOM 159 O HIS A 11 -13.011 2.094 -4.755 1.00 0.00 O ATOM 160 CB HIS A 11 -14.365 -0.666 -6.046 1.00 0.00 C ATOM 161 CG HIS A 11 -15.063 -1.105 -7.311 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.298 -1.758 -7.332 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.646 -0.906 -8.599 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.590 -1.943 -8.629 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.620 -1.443 -9.413 1.00 0.00 N ATOM 0 H HIS A 11 -12.219 -1.623 -6.736 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.307 0.995 -6.961 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.083 -1.555 -5.482 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.078 -0.113 -5.434 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.733 -0.423 -8.915 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.484 -2.428 -8.993 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.607 -1.458 -10.433 1.00 0.00 H new ATOM 173 N GLU A 12 -12.114 0.184 -3.983 1.00 0.00 N ATOM 174 CA GLU A 12 -11.702 0.703 -2.676 1.00 0.00 C ATOM 175 C GLU A 12 -10.707 1.861 -2.833 1.00 0.00 C ATOM 176 O GLU A 12 -10.858 2.906 -2.207 1.00 0.00 O ATOM 177 CB GLU A 12 -11.114 -0.455 -1.847 1.00 0.00 C ATOM 178 CG GLU A 12 -11.334 -0.326 -0.339 1.00 0.00 C ATOM 179 CD GLU A 12 -12.827 -0.298 0.037 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.542 -1.296 -0.214 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.297 0.721 0.593 1.00 0.00 O ATOM 0 H GLU A 12 -11.867 -0.796 -4.120 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.566 1.108 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.556 -1.391 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.043 -0.519 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.850 -1.160 0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.855 0.586 0.018 1.00 0.00 H new ATOM 188 N LEU A 13 -9.746 1.728 -3.752 1.00 0.00 N ATOM 189 CA LEU A 13 -8.764 2.770 -4.064 1.00 0.00 C ATOM 190 C LEU A 13 -9.390 3.950 -4.816 1.00 0.00 C ATOM 191 O LEU A 13 -9.094 5.100 -4.496 1.00 0.00 O ATOM 192 CB LEU A 13 -7.631 2.139 -4.880 1.00 0.00 C ATOM 193 CG LEU A 13 -6.876 1.012 -4.161 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.897 0.376 -5.149 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.122 1.489 -2.919 1.00 0.00 C ATOM 0 H LEU A 13 -9.627 0.881 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.374 3.177 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.045 1.746 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.920 2.919 -5.153 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.613 0.288 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.351 -0.428 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.448 -0.029 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.193 1.130 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.610 0.645 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.390 2.245 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.827 1.918 -2.208 1.00 0.00 H new ATOM 207 N ARG A 14 -10.298 3.688 -5.763 1.00 0.00 N ATOM 208 CA ARG A 14 -11.074 4.745 -6.444 1.00 0.00 C ATOM 209 C ARG A 14 -11.849 5.622 -5.443 1.00 0.00 C ATOM 210 O ARG A 14 -11.858 6.847 -5.576 1.00 0.00 O ATOM 211 CB ARG A 14 -12.047 4.147 -7.475 1.00 0.00 C ATOM 212 CG ARG A 14 -11.381 3.774 -8.807 1.00 0.00 C ATOM 213 CD ARG A 14 -12.350 2.936 -9.647 1.00 0.00 C ATOM 214 NE ARG A 14 -11.814 2.616 -10.979 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.393 1.806 -11.862 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.577 1.275 -11.651 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.791 1.493 -12.987 1.00 0.00 N ATOM 0 H ARG A 14 -10.519 2.745 -6.082 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.353 5.376 -6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.512 3.258 -7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.846 4.864 -7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.099 4.676 -9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.464 3.213 -8.623 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.576 2.010 -9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.290 3.477 -9.758 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.930 3.049 -11.247 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.081 1.480 -10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.991 0.658 -12.350 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.867 1.872 -13.194 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.248 0.871 -13.654 1.00 0.00 H new ATOM 231 N LYS A 15 -12.450 5.025 -4.407 1.00 0.00 N ATOM 232 CA LYS A 15 -13.123 5.752 -3.315 1.00 0.00 C ATOM 233 C LYS A 15 -12.140 6.461 -2.358 1.00 0.00 C ATOM 234 O LYS A 15 -12.483 7.494 -1.782 1.00 0.00 O ATOM 235 CB LYS A 15 -14.035 4.779 -2.543 1.00 0.00 C ATOM 236 CG LYS A 15 -15.247 4.259 -3.337 1.00 0.00 C ATOM 237 CD LYS A 15 -16.296 5.344 -3.626 1.00 0.00 C ATOM 238 CE LYS A 15 -17.515 4.719 -4.316 1.00 0.00 C ATOM 239 NZ LYS A 15 -18.567 5.730 -4.600 1.00 0.00 N ATOM 0 H LYS A 15 -12.485 4.011 -4.299 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.720 6.544 -3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.439 3.926 -2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.395 5.278 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.901 3.838 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.717 3.449 -2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.600 5.825 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.866 6.119 -4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.203 4.247 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.927 3.933 -3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.374 5.269 -5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.883 6.162 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.181 6.467 -5.224 1.00 0.00 H new ATOM 253 N HIS A 16 -10.907 5.962 -2.240 1.00 0.00 N ATOM 254 CA HIS A 16 -9.850 6.507 -1.370 1.00 0.00 C ATOM 255 C HIS A 16 -8.920 7.534 -2.067 1.00 0.00 C ATOM 256 O HIS A 16 -7.948 7.998 -1.464 1.00 0.00 O ATOM 257 CB HIS A 16 -9.087 5.331 -0.727 1.00 0.00 C ATOM 258 CG HIS A 16 -9.913 4.495 0.230 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.265 4.671 0.555 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.436 3.433 0.937 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.562 3.686 1.417 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.484 2.930 1.674 1.00 0.00 N ATOM 0 H HIS A 16 -10.602 5.141 -2.763 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.324 7.098 -0.587 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.706 4.685 -1.518 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.222 5.724 -0.193 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.424 3.056 0.922 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.539 3.524 1.847 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.448 2.127 2.302 1.00 0.00 H new ATOM 270 N GLY A 17 -9.221 7.924 -3.316 1.00 0.00 N ATOM 271 CA GLY A 17 -8.571 9.038 -4.027 1.00 0.00 C ATOM 272 C GLY A 17 -7.405 8.642 -4.939 1.00 0.00 C ATOM 273 O GLY A 17 -6.548 9.481 -5.222 1.00 0.00 O ATOM 0 H GLY A 17 -9.940 7.463 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.322 9.551 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.207 9.754 -3.290 1.00 0.00 H new ATOM 277 N PHE A 18 -7.352 7.388 -5.395 1.00 0.00 N ATOM 278 CA PHE A 18 -6.349 6.892 -6.342 1.00 0.00 C ATOM 279 C PHE A 18 -6.843 7.099 -7.786 1.00 0.00 C ATOM 280 O PHE A 18 -8.014 6.863 -8.092 1.00 0.00 O ATOM 281 CB PHE A 18 -6.058 5.415 -6.050 1.00 0.00 C ATOM 282 CG PHE A 18 -5.332 5.137 -4.740 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.947 5.392 -3.499 1.00 0.00 C ATOM 284 CD2 PHE A 18 -4.029 4.607 -4.760 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.256 5.159 -2.304 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.338 4.357 -3.563 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.951 4.637 -2.331 1.00 0.00 C ATOM 0 H PHE A 18 -8.021 6.672 -5.110 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.420 7.451 -6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.002 4.871 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.462 5.011 -6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.958 5.770 -3.469 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.555 4.390 -5.706 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.727 5.381 -1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.338 3.950 -3.590 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.422 4.452 -1.408 1.00 0.00 H new ATOM 297 N GLU A 19 -5.952 7.546 -8.676 1.00 0.00 N ATOM 298 CA GLU A 19 -6.291 7.900 -10.061 1.00 0.00 C ATOM 299 C GLU A 19 -6.529 6.658 -10.929 1.00 0.00 C ATOM 300 O GLU A 19 -5.738 5.713 -10.906 1.00 0.00 O ATOM 301 CB GLU A 19 -5.161 8.732 -10.689 1.00 0.00 C ATOM 302 CG GLU A 19 -4.920 10.095 -10.032 1.00 0.00 C ATOM 303 CD GLU A 19 -6.119 11.041 -10.202 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.339 11.544 -11.329 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.845 11.293 -9.211 1.00 0.00 O ATOM 0 H GLU A 19 -4.965 7.674 -8.455 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.213 8.480 -10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.237 8.155 -10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.388 8.889 -11.744 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.718 9.954 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.032 10.554 -10.467 1.00 0.00 H new ATOM 312 N GLU A 20 -7.578 6.679 -11.759 1.00 0.00 N ATOM 313 CA GLU A 20 -7.937 5.562 -12.644 1.00 0.00 C ATOM 314 C GLU A 20 -6.837 5.194 -13.663 1.00 0.00 C ATOM 315 O GLU A 20 -6.716 4.027 -14.035 1.00 0.00 O ATOM 316 CB GLU A 20 -9.284 5.835 -13.339 1.00 0.00 C ATOM 317 CG GLU A 20 -9.269 7.022 -14.315 1.00 0.00 C ATOM 318 CD GLU A 20 -10.661 7.254 -14.919 1.00 0.00 C ATOM 319 OE1 GLU A 20 -10.970 6.668 -15.984 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.455 8.031 -14.337 1.00 0.00 O ATOM 0 H GLU A 20 -8.208 7.478 -11.837 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.040 4.685 -12.005 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.587 4.939 -13.881 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.041 6.017 -12.577 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.940 7.921 -13.795 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.550 6.833 -15.112 1.00 0.00 H new ATOM 327 N ASN A 21 -5.990 6.154 -14.064 1.00 0.00 N ATOM 328 CA ASN A 21 -4.853 5.902 -14.961 1.00 0.00 C ATOM 329 C ASN A 21 -3.632 5.284 -14.242 1.00 0.00 C ATOM 330 O ASN A 21 -2.780 4.670 -14.890 1.00 0.00 O ATOM 331 CB ASN A 21 -4.493 7.186 -15.732 1.00 0.00 C ATOM 332 CG ASN A 21 -3.627 8.166 -14.941 1.00 0.00 C ATOM 333 OD1 ASN A 21 -2.409 8.059 -14.912 1.00 0.00 O ATOM 334 ND2 ASN A 21 -4.216 9.144 -14.280 1.00 0.00 N ATOM 0 H ASN A 21 -6.075 7.128 -13.775 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.166 5.145 -15.680 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.969 6.912 -16.648 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.413 7.689 -16.029 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.656 9.809 -13.746 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.232 9.235 -14.303 1.00 0.00 H new ATOM 341 N LEU A 22 -3.562 5.405 -12.908 1.00 0.00 N ATOM 342 CA LEU A 22 -2.523 4.803 -12.060 1.00 0.00 C ATOM 343 C LEU A 22 -2.979 3.480 -11.426 1.00 0.00 C ATOM 344 O LEU A 22 -2.140 2.698 -10.984 1.00 0.00 O ATOM 345 CB LEU A 22 -2.107 5.811 -10.970 1.00 0.00 C ATOM 346 CG LEU A 22 -1.592 7.177 -11.466 1.00 0.00 C ATOM 347 CD1 LEU A 22 -1.163 8.021 -10.257 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.422 7.069 -12.454 1.00 0.00 C ATOM 0 H LEU A 22 -4.247 5.940 -12.374 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.667 4.567 -12.693 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.964 5.984 -10.319 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.329 5.353 -10.359 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.413 7.649 -12.006 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.797 8.989 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.017 8.169 -9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.370 7.505 -9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.111 8.068 -12.761 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.414 6.560 -11.974 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.737 6.502 -13.330 1.00 0.00 H new ATOM 360 N MET A 23 -4.287 3.210 -11.401 1.00 0.00 N ATOM 361 CA MET A 23 -4.923 2.059 -10.743 1.00 0.00 C ATOM 362 C MET A 23 -4.263 0.713 -11.087 1.00 0.00 C ATOM 363 O MET A 23 -3.957 -0.061 -10.179 1.00 0.00 O ATOM 364 CB MET A 23 -6.421 2.094 -11.099 1.00 0.00 C ATOM 365 CG MET A 23 -7.316 1.270 -10.162 1.00 0.00 C ATOM 366 SD MET A 23 -7.231 1.747 -8.421 1.00 0.00 S ATOM 367 CE MET A 23 -7.695 3.489 -8.575 1.00 0.00 C ATOM 0 H MET A 23 -4.967 3.816 -11.861 1.00 0.00 H new ATOM 0 HA MET A 23 -4.790 2.142 -9.664 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.760 3.130 -11.088 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.548 1.728 -12.118 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.349 1.358 -10.498 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.041 0.219 -10.250 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.250 3.797 -7.689 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.796 4.098 -8.670 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.319 3.623 -9.459 1.00 0.00 H new ATOM 377 N ARG A 24 -3.944 0.465 -12.367 1.00 0.00 N ATOM 378 CA ARG A 24 -3.228 -0.739 -12.823 1.00 0.00 C ATOM 379 C ARG A 24 -1.867 -0.925 -12.130 1.00 0.00 C ATOM 380 O ARG A 24 -1.576 -2.011 -11.630 1.00 0.00 O ATOM 381 CB ARG A 24 -3.029 -0.698 -14.350 1.00 0.00 C ATOM 382 CG ARG A 24 -4.354 -0.653 -15.125 1.00 0.00 C ATOM 383 CD ARG A 24 -4.155 -0.740 -16.643 1.00 0.00 C ATOM 384 NE ARG A 24 -3.710 -2.084 -17.051 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.343 -2.464 -18.270 1.00 0.00 C ATOM 386 NH1 ARG A 24 -3.321 -1.626 -19.285 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.985 -3.710 -18.489 1.00 0.00 N ATOM 0 H ARG A 24 -4.179 1.104 -13.126 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.850 -1.591 -12.550 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.432 0.176 -14.610 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.462 -1.575 -14.661 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.989 -1.476 -14.798 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.880 0.271 -14.884 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.089 -0.495 -17.148 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.419 -0.000 -16.958 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.681 -2.797 -16.322 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.591 -0.652 -19.148 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.034 -1.951 -20.208 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.989 -4.384 -17.723 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.703 -4.003 -19.425 1.00 0.00 H new ATOM 401 N ASN A 25 -1.058 0.137 -12.038 1.00 0.00 N ATOM 402 CA ASN A 25 0.205 0.123 -11.289 1.00 0.00 C ATOM 403 C ASN A 25 -0.040 -0.101 -9.791 1.00 0.00 C ATOM 404 O ASN A 25 0.627 -0.940 -9.189 1.00 0.00 O ATOM 405 CB ASN A 25 0.995 1.426 -11.501 1.00 0.00 C ATOM 406 CG ASN A 25 1.728 1.469 -12.833 1.00 0.00 C ATOM 407 OD1 ASN A 25 2.800 0.895 -12.980 1.00 0.00 O ATOM 408 ND2 ASN A 25 1.193 2.154 -13.827 1.00 0.00 N ATOM 0 H ASN A 25 -1.261 1.033 -12.482 1.00 0.00 H new ATOM 0 HA ASN A 25 0.797 -0.708 -11.673 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.311 2.272 -11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.716 1.542 -10.692 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.673 2.208 -14.725 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.300 2.629 -13.696 1.00 0.00 H new ATOM 415 N TRP A 26 -1.026 0.583 -9.198 1.00 0.00 N ATOM 416 CA TRP A 26 -1.328 0.481 -7.770 1.00 0.00 C ATOM 417 C TRP A 26 -1.806 -0.918 -7.365 1.00 0.00 C ATOM 418 O TRP A 26 -1.236 -1.492 -6.435 1.00 0.00 O ATOM 419 CB TRP A 26 -2.335 1.567 -7.372 1.00 0.00 C ATOM 420 CG TRP A 26 -1.751 2.928 -7.150 1.00 0.00 C ATOM 421 CD1 TRP A 26 -2.044 4.047 -7.849 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.817 3.349 -6.105 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.390 5.131 -7.292 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.653 4.765 -6.184 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.118 2.678 -5.078 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.113 5.485 -5.253 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.675 3.386 -4.155 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.780 4.787 -4.231 1.00 0.00 C ATOM 0 H TRP A 26 -1.638 1.226 -9.700 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.401 0.645 -7.220 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.095 1.638 -8.150 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.842 1.253 -6.459 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.691 4.089 -8.712 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.445 6.083 -7.655 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.193 1.603 -4.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.189 6.560 -5.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.207 2.850 -3.383 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.372 5.325 -3.506 1.00 0.00 H new ATOM 439 N VAL A 27 -2.774 -1.514 -8.073 1.00 0.00 N ATOM 440 CA VAL A 27 -3.251 -2.868 -7.719 1.00 0.00 C ATOM 441 C VAL A 27 -2.166 -3.924 -7.927 1.00 0.00 C ATOM 442 O VAL A 27 -2.053 -4.835 -7.115 1.00 0.00 O ATOM 443 CB VAL A 27 -4.556 -3.312 -8.415 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.670 -2.289 -8.177 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.395 -3.619 -9.911 1.00 0.00 C ATOM 0 H VAL A 27 -3.238 -1.095 -8.879 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.492 -2.787 -6.659 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.835 -4.259 -7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.581 -2.620 -8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.855 -2.195 -7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.368 -1.322 -8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.356 -3.924 -10.325 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.042 -2.727 -10.430 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.672 -4.424 -10.041 1.00 0.00 H new ATOM 455 N CYS A 28 -1.317 -3.779 -8.951 1.00 0.00 N ATOM 456 CA CYS A 28 -0.230 -4.728 -9.206 1.00 0.00 C ATOM 457 C CYS A 28 0.887 -4.608 -8.159 1.00 0.00 C ATOM 458 O CYS A 28 1.337 -5.618 -7.620 1.00 0.00 O ATOM 459 CB CYS A 28 0.264 -4.526 -10.637 1.00 0.00 C ATOM 460 SG CYS A 28 1.232 -5.913 -11.288 1.00 0.00 S ATOM 0 H CYS A 28 -1.363 -3.009 -9.619 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.598 -5.749 -9.109 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.595 -4.360 -11.287 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.872 -3.622 -10.676 1.00 0.00 H new ATOM 0 HG CYS A 28 1.604 -5.649 -12.505 1.00 0.00 H new ATOM 465 N LEU A 29 1.246 -3.378 -7.771 1.00 0.00 N ATOM 466 CA LEU A 29 2.132 -3.078 -6.641 1.00 0.00 C ATOM 467 C LEU A 29 1.581 -3.702 -5.354 1.00 0.00 C ATOM 468 O LEU A 29 2.281 -4.475 -4.708 1.00 0.00 O ATOM 469 CB LEU A 29 2.303 -1.544 -6.582 1.00 0.00 C ATOM 470 CG LEU A 29 3.234 -0.962 -5.498 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.515 0.505 -5.854 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.631 -1.002 -4.088 1.00 0.00 C ATOM 0 H LEU A 29 0.918 -2.539 -8.250 1.00 0.00 H new ATOM 0 HA LEU A 29 3.120 -3.520 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.671 -1.211 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.316 -1.103 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 29 4.136 -1.574 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.172 0.942 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.996 0.557 -6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.577 1.059 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.340 -0.577 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.708 -0.423 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.416 -2.035 -3.813 1.00 0.00 H new ATOM 484 N VAL A 30 0.318 -3.434 -5.016 1.00 0.00 N ATOM 485 CA VAL A 30 -0.342 -3.984 -3.816 1.00 0.00 C ATOM 486 C VAL A 30 -0.383 -5.519 -3.834 1.00 0.00 C ATOM 487 O VAL A 30 -0.141 -6.142 -2.800 1.00 0.00 O ATOM 488 CB VAL A 30 -1.761 -3.395 -3.657 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.637 -4.188 -2.678 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.676 -1.936 -3.181 1.00 0.00 C ATOM 0 H VAL A 30 -0.286 -2.825 -5.568 1.00 0.00 H new ATOM 0 HA VAL A 30 0.254 -3.690 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.230 -3.454 -4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.621 -3.723 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.744 -5.213 -3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.170 -4.192 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.682 -1.530 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.162 -1.896 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.124 -1.346 -3.913 1.00 0.00 H new ATOM 500 N GLU A 31 -0.641 -6.136 -4.991 1.00 0.00 N ATOM 501 CA GLU A 31 -0.606 -7.596 -5.144 1.00 0.00 C ATOM 502 C GLU A 31 0.790 -8.181 -4.895 1.00 0.00 C ATOM 503 O GLU A 31 0.917 -9.195 -4.209 1.00 0.00 O ATOM 504 CB GLU A 31 -1.123 -8.010 -6.533 1.00 0.00 C ATOM 505 CG GLU A 31 -2.654 -7.933 -6.615 1.00 0.00 C ATOM 506 CD GLU A 31 -3.223 -8.081 -8.029 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.515 -8.500 -8.971 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.440 -7.840 -8.191 1.00 0.00 O ATOM 0 H GLU A 31 -0.880 -5.639 -5.849 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.266 -8.008 -4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.685 -7.362 -7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.797 -9.026 -6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.079 -8.713 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.980 -6.977 -6.204 1.00 0.00 H new ATOM 515 N HIS A 32 1.846 -7.526 -5.373 1.00 0.00 N ATOM 516 CA HIS A 32 3.227 -7.979 -5.180 1.00 0.00 C ATOM 517 C HIS A 32 3.837 -7.606 -3.806 1.00 0.00 C ATOM 518 O HIS A 32 4.805 -8.242 -3.383 1.00 0.00 O ATOM 519 CB HIS A 32 4.062 -7.462 -6.352 1.00 0.00 C ATOM 520 CG HIS A 32 3.814 -8.228 -7.626 1.00 0.00 C ATOM 521 ND1 HIS A 32 3.984 -9.606 -7.790 1.00 0.00 N ATOM 522 CD2 HIS A 32 3.381 -7.697 -8.804 1.00 0.00 C ATOM 523 CE1 HIS A 32 3.635 -9.866 -9.061 1.00 0.00 C ATOM 524 NE2 HIS A 32 3.262 -8.739 -9.694 1.00 0.00 N ATOM 0 H HIS A 32 1.770 -6.661 -5.908 1.00 0.00 H new ATOM 0 HA HIS A 32 3.229 -9.069 -5.166 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.836 -6.408 -6.517 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.119 -7.525 -6.095 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.171 -6.656 -9.001 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.652 -10.847 -9.513 1.00 0.00 H new ATOM 0 HE2 HIS A 32 2.947 -8.670 -10.662 1.00 0.00 H new ATOM 532 N GLU A 33 3.266 -6.628 -3.094 1.00 0.00 N ATOM 533 CA GLU A 33 3.681 -6.241 -1.739 1.00 0.00 C ATOM 534 C GLU A 33 2.921 -7.029 -0.658 1.00 0.00 C ATOM 535 O GLU A 33 3.547 -7.706 0.158 1.00 0.00 O ATOM 536 CB GLU A 33 3.498 -4.728 -1.518 1.00 0.00 C ATOM 537 CG GLU A 33 4.510 -3.861 -2.279 1.00 0.00 C ATOM 538 CD GLU A 33 5.967 -4.113 -1.858 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.276 -4.052 -0.647 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.813 -4.349 -2.750 1.00 0.00 O ATOM 0 H GLU A 33 2.488 -6.072 -3.449 1.00 0.00 H new ATOM 0 HA GLU A 33 4.739 -6.486 -1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.490 -4.446 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.580 -4.514 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.410 -4.052 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.270 -2.810 -2.119 1.00 0.00 H new ATOM 547 N SER A 34 1.585 -6.974 -0.642 1.00 0.00 N ATOM 548 CA SER A 34 0.760 -7.506 0.459 1.00 0.00 C ATOM 549 C SER A 34 -0.311 -8.505 -0.002 1.00 0.00 C ATOM 550 O SER A 34 -1.155 -8.907 0.792 1.00 0.00 O ATOM 551 CB SER A 34 0.079 -6.366 1.230 1.00 0.00 C ATOM 552 OG SER A 34 0.984 -5.330 1.562 1.00 0.00 O ATOM 0 H SER A 34 1.038 -6.557 -1.395 1.00 0.00 H new ATOM 0 HA SER A 34 1.452 -8.044 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.733 -5.958 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.367 -6.762 2.142 1.00 0.00 H new ATOM 0 HG SER A 34 1.123 -4.754 0.781 1.00 0.00 H new ATOM 558 N SER A 35 -0.333 -8.878 -1.283 1.00 0.00 N ATOM 559 CA SER A 35 -1.286 -9.834 -1.876 1.00 0.00 C ATOM 560 C SER A 35 -2.760 -9.397 -1.761 1.00 0.00 C ATOM 561 O SER A 35 -3.666 -10.235 -1.788 1.00 0.00 O ATOM 562 CB SER A 35 -1.119 -11.250 -1.303 1.00 0.00 C ATOM 563 OG SER A 35 0.236 -11.676 -1.185 1.00 0.00 O ATOM 0 H SER A 35 0.333 -8.513 -1.964 1.00 0.00 H new ATOM 0 HA SER A 35 -1.035 -9.847 -2.937 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.588 -11.290 -0.320 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.655 -11.953 -1.940 1.00 0.00 H new ATOM 0 HG SER A 35 0.285 -12.648 -1.302 1.00 0.00 H new ATOM 569 N ARG A 36 -3.003 -8.088 -1.592 1.00 0.00 N ATOM 570 CA ARG A 36 -4.321 -7.484 -1.340 1.00 0.00 C ATOM 571 C ARG A 36 -4.892 -7.845 0.049 1.00 0.00 C ATOM 572 O ARG A 36 -6.107 -7.851 0.231 1.00 0.00 O ATOM 573 CB ARG A 36 -5.341 -7.803 -2.458 1.00 0.00 C ATOM 574 CG ARG A 36 -4.771 -7.782 -3.884 1.00 0.00 C ATOM 575 CD ARG A 36 -5.876 -7.824 -4.949 1.00 0.00 C ATOM 576 NE ARG A 36 -6.541 -9.138 -4.952 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.508 -10.077 -5.888 1.00 0.00 C ATOM 578 NH1 ARG A 36 -5.940 -9.906 -7.063 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.074 -11.238 -5.641 1.00 0.00 N ATOM 0 H ARG A 36 -2.257 -7.393 -1.629 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.152 -6.407 -1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.768 -8.788 -2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.158 -7.084 -2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.171 -6.883 -4.021 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.105 -8.634 -4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.608 -7.040 -4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.450 -7.624 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.100 -9.354 -4.127 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.496 -9.016 -7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.944 -10.663 -7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.528 -11.403 -4.743 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.059 -11.973 -6.348 1.00 0.00 H new ATOM 593 N ASP A 37 -4.041 -8.145 1.033 1.00 0.00 N ATOM 594 CA ASP A 37 -4.410 -8.600 2.381 1.00 0.00 C ATOM 595 C ASP A 37 -3.941 -7.605 3.449 1.00 0.00 C ATOM 596 O ASP A 37 -2.737 -7.361 3.583 1.00 0.00 O ATOM 597 CB ASP A 37 -3.795 -9.987 2.636 1.00 0.00 C ATOM 598 CG ASP A 37 -4.199 -10.572 3.996 1.00 0.00 C ATOM 599 OD1 ASP A 37 -5.382 -10.423 4.381 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.333 -11.187 4.660 1.00 0.00 O ATOM 0 H ASP A 37 -3.031 -8.075 0.909 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.496 -8.665 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.106 -10.669 1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.709 -9.913 2.585 1.00 0.00 H new ATOM 605 N THR A 38 -4.881 -7.022 4.210 1.00 0.00 N ATOM 606 CA THR A 38 -4.537 -6.036 5.256 1.00 0.00 C ATOM 607 C THR A 38 -3.802 -6.681 6.423 1.00 0.00 C ATOM 608 O THR A 38 -3.005 -6.020 7.078 1.00 0.00 O ATOM 609 CB THR A 38 -5.735 -5.247 5.797 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.725 -6.099 6.303 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.394 -4.361 4.750 1.00 0.00 C ATOM 0 H THR A 38 -5.879 -7.212 4.124 1.00 0.00 H new ATOM 0 HA THR A 38 -3.883 -5.327 4.749 1.00 0.00 H new ATOM 0 HB THR A 38 -5.319 -4.620 6.586 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.328 -5.591 6.885 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.234 -3.831 5.199 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.668 -3.639 4.375 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.752 -4.977 3.925 1.00 0.00 H new ATOM 619 N SER A 39 -4.011 -7.973 6.662 1.00 0.00 N ATOM 620 CA SER A 39 -3.377 -8.726 7.749 1.00 0.00 C ATOM 621 C SER A 39 -1.892 -9.068 7.497 1.00 0.00 C ATOM 622 O SER A 39 -1.229 -9.615 8.382 1.00 0.00 O ATOM 623 CB SER A 39 -4.165 -10.023 7.992 1.00 0.00 C ATOM 624 OG SER A 39 -5.529 -9.786 8.322 1.00 0.00 O ATOM 0 H SER A 39 -4.640 -8.541 6.094 1.00 0.00 H new ATOM 0 HA SER A 39 -3.396 -8.078 8.625 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.115 -10.646 7.099 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.693 -10.584 8.799 1.00 0.00 H new ATOM 0 HG SER A 39 -5.985 -10.642 8.465 1.00 0.00 H new ATOM 630 N LYS A 40 -1.341 -8.770 6.311 1.00 0.00 N ATOM 631 CA LYS A 40 0.030 -9.134 5.938 1.00 0.00 C ATOM 632 C LYS A 40 1.094 -8.316 6.708 1.00 0.00 C ATOM 633 O LYS A 40 1.013 -7.083 6.795 1.00 0.00 O ATOM 634 CB LYS A 40 0.192 -8.981 4.413 1.00 0.00 C ATOM 635 CG LYS A 40 1.514 -9.582 3.888 1.00 0.00 C ATOM 636 CD LYS A 40 1.410 -11.056 3.470 1.00 0.00 C ATOM 637 CE LYS A 40 0.670 -11.167 2.132 1.00 0.00 C ATOM 638 NZ LYS A 40 0.686 -12.546 1.582 1.00 0.00 N ATOM 0 H LYS A 40 -1.841 -8.265 5.579 1.00 0.00 H new ATOM 0 HA LYS A 40 0.198 -10.173 6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.646 -9.466 3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.150 -7.924 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.853 -8.996 3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.276 -9.488 4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.406 -11.489 3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.882 -11.624 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.363 -10.845 2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.126 -10.487 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.539 -12.511 0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.604 -12.990 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.074 -13.104 2.021 1.00 0.00 H new ATOM 652 N THR A 41 2.143 -9.008 7.168 1.00 0.00 N ATOM 653 CA THR A 41 3.320 -8.467 7.877 1.00 0.00 C ATOM 654 C THR A 41 4.594 -9.196 7.478 1.00 0.00 C ATOM 655 O THR A 41 4.562 -10.394 7.197 1.00 0.00 O ATOM 656 CB THR A 41 3.179 -8.532 9.410 1.00 0.00 C ATOM 657 OG1 THR A 41 2.612 -9.766 9.804 1.00 0.00 O ATOM 658 CG2 THR A 41 2.338 -7.404 9.999 1.00 0.00 C ATOM 0 H THR A 41 2.201 -10.020 7.051 1.00 0.00 H new ATOM 0 HA THR A 41 3.380 -7.420 7.579 1.00 0.00 H new ATOM 0 HB THR A 41 4.192 -8.425 9.798 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.531 -9.792 10.780 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.284 -7.517 11.082 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.795 -6.445 9.757 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.333 -7.443 9.580 1.00 0.00 H new ATOM 666 N ASN A 42 5.717 -8.476 7.502 1.00 0.00 N ATOM 667 CA ASN A 42 7.045 -8.980 7.131 1.00 0.00 C ATOM 668 C ASN A 42 8.164 -8.271 7.919 1.00 0.00 C ATOM 669 O ASN A 42 8.213 -7.039 7.950 1.00 0.00 O ATOM 670 CB ASN A 42 7.262 -8.776 5.621 1.00 0.00 C ATOM 671 CG ASN A 42 6.489 -9.768 4.757 1.00 0.00 C ATOM 672 OD1 ASN A 42 6.889 -10.916 4.592 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.385 -9.354 4.162 1.00 0.00 N ATOM 0 H ASN A 42 5.730 -7.497 7.788 1.00 0.00 H new ATOM 0 HA ASN A 42 7.088 -10.041 7.377 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.964 -7.763 5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.326 -8.865 5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.860 -9.990 3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.057 -8.398 4.303 1.00 0.00 H new ATOM 680 N THR A 43 9.069 -9.034 8.549 1.00 0.00 N ATOM 681 CA THR A 43 10.222 -8.515 9.316 1.00 0.00 C ATOM 682 C THR A 43 11.422 -8.310 8.393 1.00 0.00 C ATOM 683 O THR A 43 11.673 -9.124 7.503 1.00 0.00 O ATOM 684 CB THR A 43 10.584 -9.467 10.463 1.00 0.00 C ATOM 685 OG1 THR A 43 9.418 -9.752 11.206 1.00 0.00 O ATOM 686 CG2 THR A 43 11.597 -8.856 11.434 1.00 0.00 C ATOM 0 H THR A 43 9.023 -10.053 8.542 1.00 0.00 H new ATOM 0 HA THR A 43 9.944 -7.553 9.747 1.00 0.00 H new ATOM 0 HB THR A 43 11.020 -10.359 10.013 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.639 -10.362 11.941 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.818 -9.571 12.226 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.514 -8.613 10.898 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.181 -7.948 11.871 1.00 0.00 H new ATOM 694 N ASN A 44 12.171 -7.232 8.615 1.00 0.00 N ATOM 695 CA ASN A 44 13.346 -6.836 7.832 1.00 0.00 C ATOM 696 C ASN A 44 14.663 -7.177 8.552 1.00 0.00 C ATOM 697 O ASN A 44 14.722 -7.238 9.784 1.00 0.00 O ATOM 698 CB ASN A 44 13.292 -5.323 7.551 1.00 0.00 C ATOM 699 CG ASN A 44 12.058 -4.913 6.754 1.00 0.00 C ATOM 700 OD1 ASN A 44 12.073 -4.867 5.530 1.00 0.00 O ATOM 701 ND2 ASN A 44 10.976 -4.596 7.436 1.00 0.00 N ATOM 0 H ASN A 44 11.970 -6.582 9.375 1.00 0.00 H new ATOM 0 HA ASN A 44 13.324 -7.396 6.897 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.304 -4.782 8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.187 -5.028 7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.130 -4.306 6.945 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.984 -4.641 8.455 1.00 0.00 H new ATOM 708 N ARG A 45 15.751 -7.292 7.781 1.00 0.00 N ATOM 709 CA ARG A 45 17.128 -7.467 8.291 1.00 0.00 C ATOM 710 C ARG A 45 17.586 -6.350 9.247 1.00 0.00 C ATOM 711 O ARG A 45 18.356 -6.583 10.178 1.00 0.00 O ATOM 712 CB ARG A 45 18.105 -7.601 7.109 1.00 0.00 C ATOM 713 CG ARG A 45 18.190 -6.378 6.176 1.00 0.00 C ATOM 714 CD ARG A 45 19.142 -6.650 5.004 1.00 0.00 C ATOM 715 NE ARG A 45 19.231 -5.485 4.103 1.00 0.00 N ATOM 716 CZ ARG A 45 20.047 -4.441 4.219 1.00 0.00 C ATOM 717 NH1 ARG A 45 20.908 -4.326 5.211 1.00 0.00 N ATOM 718 NH2 ARG A 45 20.004 -3.480 3.323 1.00 0.00 N ATOM 0 H ARG A 45 15.704 -7.266 6.762 1.00 0.00 H new ATOM 0 HA ARG A 45 17.127 -8.381 8.885 1.00 0.00 H new ATOM 0 HB2 ARG A 45 19.100 -7.804 7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 45 17.814 -8.468 6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.198 -6.136 5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.536 -5.510 6.738 1.00 0.00 H new ATOM 0 HD2 ARG A 45 20.133 -6.893 5.387 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.795 -7.519 4.445 1.00 0.00 H new ATOM 0 HE ARG A 45 18.597 -5.480 3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.965 -5.053 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.517 -3.510 5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.347 -3.538 2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.627 -2.677 3.406 1.00 0.00 H new ATOM 732 N ASN A 46 17.060 -5.146 9.029 1.00 0.00 N ATOM 733 CA ASN A 46 17.283 -3.935 9.834 1.00 0.00 C ATOM 734 C ASN A 46 16.533 -3.932 11.196 1.00 0.00 C ATOM 735 O ASN A 46 16.707 -3.011 11.996 1.00 0.00 O ATOM 736 CB ASN A 46 16.916 -2.730 8.942 1.00 0.00 C ATOM 737 CG ASN A 46 17.368 -1.378 9.494 1.00 0.00 C ATOM 738 OD1 ASN A 46 16.560 -0.505 9.787 1.00 0.00 O ATOM 739 ND2 ASN A 46 18.663 -1.156 9.635 1.00 0.00 N ATOM 0 H ASN A 46 16.432 -4.974 8.244 1.00 0.00 H new ATOM 0 HA ASN A 46 18.330 -3.886 10.133 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.360 -2.874 7.957 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.835 -2.710 8.805 1.00 0.00 H new ATOM 0 HD21 ASN A 46 18.991 -0.257 9.988 1.00 0.00 H new ATOM 0 HD22 ASN A 46 19.335 -1.884 9.391 1.00 0.00 H new ATOM 746 N GLY A 47 15.702 -4.948 11.480 1.00 0.00 N ATOM 747 CA GLY A 47 15.016 -5.160 12.769 1.00 0.00 C ATOM 748 C GLY A 47 13.634 -4.506 12.889 1.00 0.00 C ATOM 749 O GLY A 47 12.957 -4.687 13.899 1.00 0.00 O ATOM 0 H GLY A 47 15.480 -5.671 10.795 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.908 -6.232 12.933 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.652 -4.778 13.568 1.00 0.00 H new ATOM 753 N SER A 48 13.203 -3.763 11.875 1.00 0.00 N ATOM 754 CA SER A 48 11.854 -3.197 11.744 1.00 0.00 C ATOM 755 C SER A 48 10.899 -4.165 11.018 1.00 0.00 C ATOM 756 O SER A 48 11.329 -5.100 10.336 1.00 0.00 O ATOM 757 CB SER A 48 11.961 -1.861 10.996 1.00 0.00 C ATOM 758 OG SER A 48 12.677 -2.010 9.772 1.00 0.00 O ATOM 0 H SER A 48 13.805 -3.526 11.086 1.00 0.00 H new ATOM 0 HA SER A 48 11.433 -3.034 12.736 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.962 -1.475 10.791 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.463 -1.127 11.627 1.00 0.00 H new ATOM 0 HG SER A 48 12.728 -1.144 9.316 1.00 0.00 H new ATOM 764 N LYS A 49 9.589 -3.941 11.132 1.00 0.00 N ATOM 765 CA LYS A 49 8.546 -4.744 10.479 1.00 0.00 C ATOM 766 C LYS A 49 7.649 -3.869 9.586 1.00 0.00 C ATOM 767 O LYS A 49 7.436 -2.680 9.840 1.00 0.00 O ATOM 768 CB LYS A 49 7.743 -5.523 11.543 1.00 0.00 C ATOM 769 CG LYS A 49 7.026 -6.773 11.002 1.00 0.00 C ATOM 770 CD LYS A 49 6.034 -7.383 12.007 1.00 0.00 C ATOM 771 CE LYS A 49 6.647 -7.746 13.367 1.00 0.00 C ATOM 772 NZ LYS A 49 7.551 -8.922 13.285 1.00 0.00 N ATOM 0 H LYS A 49 9.211 -3.178 11.694 1.00 0.00 H new ATOM 0 HA LYS A 49 9.015 -5.473 9.819 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.419 -5.823 12.344 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.003 -4.856 11.984 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.493 -6.512 10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.770 -7.523 10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.219 -6.678 12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.598 -8.280 11.568 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.202 -6.891 13.752 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.848 -7.954 14.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.232 -8.891 14.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.990 -9.796 13.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.064 -8.903 12.381 1.00 0.00 H new ATOM 786 N ASP A 50 7.135 -4.490 8.533 1.00 0.00 N ATOM 787 CA ASP A 50 6.209 -3.930 7.556 1.00 0.00 C ATOM 788 C ASP A 50 4.774 -4.381 7.868 1.00 0.00 C ATOM 789 O ASP A 50 4.573 -5.516 8.298 1.00 0.00 O ATOM 790 CB ASP A 50 6.597 -4.432 6.158 1.00 0.00 C ATOM 791 CG ASP A 50 8.003 -4.044 5.664 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.692 -3.212 6.302 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.428 -4.612 4.631 1.00 0.00 O ATOM 0 H ASP A 50 7.368 -5.461 8.324 1.00 0.00 H new ATOM 0 HA ASP A 50 6.259 -2.842 7.596 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.519 -5.519 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.866 -4.055 5.443 1.00 0.00 H new ATOM 798 N TYR A 51 3.784 -3.515 7.637 1.00 0.00 N ATOM 799 CA TYR A 51 2.382 -3.699 8.040 1.00 0.00 C ATOM 800 C TYR A 51 1.387 -3.169 6.991 1.00 0.00 C ATOM 801 O TYR A 51 1.647 -2.171 6.313 1.00 0.00 O ATOM 802 CB TYR A 51 2.135 -2.940 9.356 1.00 0.00 C ATOM 803 CG TYR A 51 2.950 -3.373 10.556 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.240 -2.846 10.752 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.386 -4.216 11.533 1.00 0.00 C ATOM 806 CE1 TYR A 51 4.965 -3.163 11.911 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.105 -4.536 12.699 1.00 0.00 C ATOM 808 CZ TYR A 51 4.401 -4.005 12.894 1.00 0.00 C ATOM 809 OH TYR A 51 5.105 -4.301 14.023 1.00 0.00 O ATOM 0 H TYR A 51 3.939 -2.634 7.147 1.00 0.00 H new ATOM 0 HA TYR A 51 2.218 -4.771 8.152 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.327 -1.882 9.179 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.079 -3.035 9.610 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.674 -2.195 10.007 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.395 -4.619 11.386 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.958 -2.762 12.051 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.668 -5.185 13.443 1.00 0.00 H new ATOM 0 HH TYR A 51 4.572 -4.891 14.595 1.00 0.00 H new ATOM 819 N GLY A 52 0.213 -3.800 6.885 1.00 0.00 N ATOM 820 CA GLY A 52 -0.897 -3.310 6.057 1.00 0.00 C ATOM 821 C GLY A 52 -0.697 -3.522 4.558 1.00 0.00 C ATOM 822 O GLY A 52 0.309 -4.068 4.118 1.00 0.00 O ATOM 0 H GLY A 52 0.004 -4.670 7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.815 -3.811 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.036 -2.246 6.247 1.00 0.00 H new ATOM 826 N LEU A 53 -1.655 -3.043 3.761 1.00 0.00 N ATOM 827 CA LEU A 53 -1.776 -3.348 2.326 1.00 0.00 C ATOM 828 C LEU A 53 -0.672 -2.826 1.398 1.00 0.00 C ATOM 829 O LEU A 53 -0.567 -3.264 0.252 1.00 0.00 O ATOM 830 CB LEU A 53 -3.129 -2.795 1.842 1.00 0.00 C ATOM 831 CG LEU A 53 -3.817 -3.764 0.874 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.689 -4.732 1.659 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.709 -3.021 -0.107 1.00 0.00 C ATOM 0 H LEU A 53 -2.387 -2.418 4.099 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.684 -4.432 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.777 -2.614 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.976 -1.835 1.350 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.039 -4.294 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.178 -5.421 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.070 -5.295 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.445 -4.174 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.183 -3.735 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.476 -2.474 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.108 -2.320 -0.686 1.00 0.00 H new ATOM 845 N PHE A 54 0.162 -1.920 1.895 1.00 0.00 N ATOM 846 CA PHE A 54 1.313 -1.364 1.184 1.00 0.00 C ATOM 847 C PHE A 54 2.640 -1.746 1.873 1.00 0.00 C ATOM 848 O PHE A 54 3.657 -1.113 1.605 1.00 0.00 O ATOM 849 CB PHE A 54 1.106 0.154 1.032 1.00 0.00 C ATOM 850 CG PHE A 54 -0.147 0.554 0.268 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.388 0.617 0.930 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.077 0.872 -1.102 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.553 0.976 0.233 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.242 1.251 -1.795 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.480 1.301 -1.130 1.00 0.00 C ATOM 0 H PHE A 54 0.054 -1.538 2.835 1.00 0.00 H new ATOM 0 HA PHE A 54 1.387 -1.793 0.185 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.068 0.602 2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.974 0.576 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.444 0.387 1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.869 0.825 -1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.503 1.002 0.745 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.185 1.505 -2.843 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.372 1.589 -1.667 1.00 0.00 H new ATOM 865 N GLN A 55 2.624 -2.743 2.775 1.00 0.00 N ATOM 866 CA GLN A 55 3.765 -3.205 3.581 1.00 0.00 C ATOM 867 C GLN A 55 4.568 -2.021 4.172 1.00 0.00 C ATOM 868 O GLN A 55 5.755 -1.828 3.901 1.00 0.00 O ATOM 869 CB GLN A 55 4.643 -4.200 2.783 1.00 0.00 C ATOM 870 CG GLN A 55 4.096 -5.627 2.627 1.00 0.00 C ATOM 871 CD GLN A 55 3.523 -6.231 3.911 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.231 -6.784 4.742 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.230 -6.139 4.138 1.00 0.00 N ATOM 0 H GLN A 55 1.775 -3.273 2.970 1.00 0.00 H new ATOM 0 HA GLN A 55 3.375 -3.754 4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.807 -3.787 1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.617 -4.260 3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.318 -5.623 1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.896 -6.271 2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.624 -5.682 3.457 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.834 -6.525 4.995 1.00 0.00 H new ATOM 882 N ILE A 56 3.889 -1.181 4.954 1.00 0.00 N ATOM 883 CA ILE A 56 4.416 0.091 5.466 1.00 0.00 C ATOM 884 C ILE A 56 5.238 -0.148 6.736 1.00 0.00 C ATOM 885 O ILE A 56 4.794 -0.849 7.643 1.00 0.00 O ATOM 886 CB ILE A 56 3.265 1.094 5.711 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.340 1.177 4.474 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.858 2.470 6.022 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.283 2.284 4.516 1.00 0.00 C ATOM 0 H ILE A 56 2.934 -1.368 5.258 1.00 0.00 H new ATOM 0 HA ILE A 56 5.078 0.528 4.719 1.00 0.00 H new ATOM 0 HB ILE A 56 2.667 0.753 6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.959 1.322 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.834 0.219 4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.052 3.183 6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.483 2.404 6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.463 2.805 5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.689 2.255 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.632 2.133 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.774 3.253 4.598 1.00 0.00 H new ATOM 901 N ASN A 57 6.431 0.445 6.812 1.00 0.00 N ATOM 902 CA ASN A 57 7.413 0.143 7.853 1.00 0.00 C ATOM 903 C ASN A 57 7.340 1.091 9.066 1.00 0.00 C ATOM 904 O ASN A 57 7.217 2.312 8.922 1.00 0.00 O ATOM 905 CB ASN A 57 8.800 0.184 7.213 1.00 0.00 C ATOM 906 CG ASN A 57 9.877 -0.322 8.157 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.407 0.423 8.970 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.222 -1.589 8.076 1.00 0.00 N ATOM 0 H ASN A 57 6.744 1.153 6.148 1.00 0.00 H new ATOM 0 HA ASN A 57 7.193 -0.846 8.254 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.799 -0.421 6.306 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.031 1.206 6.914 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.940 -1.963 8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.771 -2.198 7.393 1.00 0.00 H new ATOM 915 N ASP A 58 7.477 0.515 10.263 1.00 0.00 N ATOM 916 CA ASP A 58 7.351 1.206 11.558 1.00 0.00 C ATOM 917 C ASP A 58 8.425 2.268 11.881 1.00 0.00 C ATOM 918 O ASP A 58 8.272 3.033 12.839 1.00 0.00 O ATOM 919 CB ASP A 58 7.282 0.181 12.696 1.00 0.00 C ATOM 920 CG ASP A 58 8.641 -0.440 13.070 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.368 0.140 13.909 1.00 0.00 O ATOM 922 OD2 ASP A 58 8.967 -1.526 12.541 1.00 0.00 O ATOM 0 H ASP A 58 7.686 -0.478 10.366 1.00 0.00 H new ATOM 0 HA ASP A 58 6.424 1.773 11.467 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.860 0.662 13.578 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.597 -0.617 12.410 1.00 0.00 H new ATOM 927 N ARG A 59 9.511 2.313 11.104 1.00 0.00 N ATOM 928 CA ARG A 59 10.641 3.224 11.314 1.00 0.00 C ATOM 929 C ARG A 59 10.539 4.513 10.488 1.00 0.00 C ATOM 930 O ARG A 59 11.204 5.500 10.811 1.00 0.00 O ATOM 931 CB ARG A 59 11.929 2.439 11.017 1.00 0.00 C ATOM 932 CG ARG A 59 13.218 3.158 11.450 1.00 0.00 C ATOM 933 CD ARG A 59 14.367 2.162 11.661 1.00 0.00 C ATOM 934 NE ARG A 59 14.172 1.390 12.907 1.00 0.00 N ATOM 935 CZ ARG A 59 14.681 0.200 13.204 1.00 0.00 C ATOM 936 NH1 ARG A 59 15.448 -0.463 12.369 1.00 0.00 N ATOM 937 NH2 ARG A 59 14.421 -0.350 14.369 1.00 0.00 N ATOM 0 H ARG A 59 9.632 1.705 10.294 1.00 0.00 H new ATOM 0 HA ARG A 59 10.640 3.569 12.348 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.878 1.474 11.521 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.980 2.238 9.947 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.502 3.889 10.693 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.037 3.709 12.373 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.425 1.481 10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.315 2.698 11.705 1.00 0.00 H new ATOM 0 HE ARG A 59 13.580 1.820 13.618 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.671 -0.066 11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.821 -1.375 12.633 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.830 0.137 15.042 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.811 -1.264 14.600 1.00 0.00 H new ATOM 951 N TYR A 60 9.669 4.553 9.474 1.00 0.00 N ATOM 952 CA TYR A 60 9.662 5.623 8.460 1.00 0.00 C ATOM 953 C TYR A 60 8.318 6.318 8.196 1.00 0.00 C ATOM 954 O TYR A 60 8.328 7.493 7.825 1.00 0.00 O ATOM 955 CB TYR A 60 10.182 5.018 7.148 1.00 0.00 C ATOM 956 CG TYR A 60 11.589 4.447 7.242 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.668 5.268 7.624 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.809 3.075 7.008 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.956 4.724 7.786 1.00 0.00 C ATOM 960 CE2 TYR A 60 13.094 2.521 7.172 1.00 0.00 C ATOM 961 CZ TYR A 60 14.172 3.344 7.566 1.00 0.00 C ATOM 962 OH TYR A 60 15.411 2.805 7.737 1.00 0.00 O ATOM 0 H TYR A 60 8.948 3.846 9.329 1.00 0.00 H new ATOM 0 HA TYR A 60 10.293 6.415 8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.501 4.228 6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 60 10.164 5.785 6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.506 6.322 7.794 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.988 2.444 6.701 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.779 5.360 8.078 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.255 1.468 6.997 1.00 0.00 H new ATOM 0 HH TYR A 60 15.379 1.845 7.545 1.00 0.00 H new ATOM 972 N TRP A 61 7.181 5.647 8.409 1.00 0.00 N ATOM 973 CA TRP A 61 5.876 6.145 7.945 1.00 0.00 C ATOM 974 C TRP A 61 4.761 5.944 8.984 1.00 0.00 C ATOM 975 O TRP A 61 4.147 6.921 9.419 1.00 0.00 O ATOM 976 CB TRP A 61 5.550 5.450 6.611 1.00 0.00 C ATOM 977 CG TRP A 61 6.618 5.419 5.560 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.227 4.300 5.107 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.177 6.520 4.777 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.152 4.631 4.136 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.145 5.984 3.873 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.941 7.911 4.709 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.839 6.785 2.952 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.618 8.721 3.778 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.567 8.164 2.902 1.00 0.00 C ATOM 0 H TRP A 61 7.135 4.755 8.901 1.00 0.00 H new ATOM 0 HA TRP A 61 5.935 7.224 7.799 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.266 4.421 6.830 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.674 5.938 6.184 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.021 3.298 5.453 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.763 3.959 3.672 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.228 8.361 5.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.572 6.348 2.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.407 9.779 3.736 1.00 0.00 H new ATOM 0 HH2 TRP A 61 9.085 8.793 2.193 1.00 0.00 H new ATOM 996 N CYS A 62 4.536 4.699 9.418 1.00 0.00 N ATOM 997 CA CYS A 62 3.672 4.344 10.555 1.00 0.00 C ATOM 998 C CYS A 62 4.483 4.130 11.846 1.00 0.00 C ATOM 999 O CYS A 62 5.705 4.055 11.805 1.00 0.00 O ATOM 1000 CB CYS A 62 2.845 3.099 10.201 1.00 0.00 C ATOM 1001 SG CYS A 62 3.780 1.721 9.493 1.00 0.00 S ATOM 0 H CYS A 62 4.962 3.884 8.976 1.00 0.00 H new ATOM 0 HA CYS A 62 2.996 5.177 10.748 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.342 2.749 11.103 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.067 3.389 9.494 1.00 0.00 H new ATOM 0 HG CYS A 62 2.973 0.734 9.240 1.00 0.00 H new ATOM 1006 N SER A 63 3.809 4.033 12.994 1.00 0.00 N ATOM 1007 CA SER A 63 4.414 3.847 14.327 1.00 0.00 C ATOM 1008 C SER A 63 3.980 2.528 14.980 1.00 0.00 C ATOM 1009 O SER A 63 2.792 2.200 14.993 1.00 0.00 O ATOM 1010 CB SER A 63 3.991 4.996 15.249 1.00 0.00 C ATOM 1011 OG SER A 63 4.743 4.956 16.453 1.00 0.00 O ATOM 0 H SER A 63 2.791 4.083 13.029 1.00 0.00 H new ATOM 0 HA SER A 63 5.495 3.829 14.189 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.144 5.951 14.747 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.927 4.921 15.473 1.00 0.00 H new ATOM 0 HG SER A 63 4.468 5.694 17.035 1.00 0.00 H new ATOM 1017 N LYS A 64 4.929 1.775 15.543 1.00 0.00 N ATOM 1018 CA LYS A 64 4.675 0.495 16.233 1.00 0.00 C ATOM 1019 C LYS A 64 4.226 0.630 17.701 1.00 0.00 C ATOM 1020 O LYS A 64 3.808 -0.362 18.308 1.00 0.00 O ATOM 1021 CB LYS A 64 5.926 -0.399 16.159 1.00 0.00 C ATOM 1022 CG LYS A 64 7.183 0.300 16.706 1.00 0.00 C ATOM 1023 CD LYS A 64 8.236 -0.722 17.131 1.00 0.00 C ATOM 1024 CE LYS A 64 9.535 0.012 17.472 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.593 -0.924 17.935 1.00 0.00 N ATOM 0 H LYS A 64 5.915 2.037 15.535 1.00 0.00 H new ATOM 0 HA LYS A 64 3.836 0.043 15.704 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.748 -1.314 16.724 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.099 -0.692 15.123 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.598 0.959 15.944 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.914 0.926 17.557 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.885 -1.287 17.995 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.409 -1.440 16.329 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.888 0.554 16.594 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.341 0.753 18.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.457 -0.389 18.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.267 -1.423 18.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.796 -1.616 17.186 1.00 0.00 H new ATOM 1039 N GLY A 65 4.353 1.825 18.289 1.00 0.00 N ATOM 1040 CA GLY A 65 4.069 2.081 19.706 1.00 0.00 C ATOM 1041 C GLY A 65 2.567 2.141 19.999 1.00 0.00 C ATOM 1042 O GLY A 65 1.743 1.821 19.144 1.00 0.00 O ATOM 0 H GLY A 65 4.662 2.656 17.785 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.524 1.297 20.312 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.532 3.022 20.002 1.00 0.00 H new ATOM 1046 N ALA A 66 2.194 2.555 21.213 1.00 0.00 N ATOM 1047 CA ALA A 66 0.802 2.547 21.691 1.00 0.00 C ATOM 1048 C ALA A 66 -0.120 3.580 21.003 1.00 0.00 C ATOM 1049 O ALA A 66 -1.332 3.577 21.221 1.00 0.00 O ATOM 1050 CB ALA A 66 0.829 2.738 23.215 1.00 0.00 C ATOM 0 H ALA A 66 2.856 2.910 21.903 1.00 0.00 H new ATOM 0 HA ALA A 66 0.360 1.587 21.424 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.191 2.737 23.600 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.391 1.925 23.674 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.306 3.689 23.454 1.00 0.00 H new ATOM 1056 N SER A 67 0.421 4.425 20.134 1.00 0.00 N ATOM 1057 CA SER A 67 -0.215 5.602 19.535 1.00 0.00 C ATOM 1058 C SER A 67 0.471 5.959 18.196 1.00 0.00 C ATOM 1059 O SER A 67 1.637 5.592 17.991 1.00 0.00 O ATOM 1060 CB SER A 67 -0.146 6.772 20.537 1.00 0.00 C ATOM 1061 OG SER A 67 1.192 7.110 20.888 1.00 0.00 O ATOM 0 H SER A 67 1.378 4.302 19.804 1.00 0.00 H new ATOM 0 HA SER A 67 -1.262 5.390 19.317 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.637 7.645 20.106 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.699 6.508 21.438 1.00 0.00 H new ATOM 0 HG SER A 67 1.185 7.857 21.523 1.00 0.00 H new ATOM 1067 N PRO A 68 -0.226 6.644 17.264 1.00 0.00 N ATOM 1068 CA PRO A 68 0.368 7.110 16.013 1.00 0.00 C ATOM 1069 C PRO A 68 1.372 8.245 16.287 1.00 0.00 C ATOM 1070 O PRO A 68 1.218 8.985 17.263 1.00 0.00 O ATOM 1071 CB PRO A 68 -0.815 7.600 15.171 1.00 0.00 C ATOM 1072 CG PRO A 68 -1.836 8.053 16.211 1.00 0.00 C ATOM 1073 CD PRO A 68 -1.627 7.047 17.340 1.00 0.00 C ATOM 0 HA PRO A 68 0.926 6.328 15.499 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.525 8.418 14.511 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.213 6.806 14.539 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.653 9.076 16.540 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.854 8.020 15.822 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.853 7.494 18.308 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.287 6.188 17.224 1.00 0.00 H new ATOM 1081 N GLY A 69 2.402 8.401 15.441 1.00 0.00 N ATOM 1082 CA GLY A 69 3.477 9.375 15.718 1.00 0.00 C ATOM 1083 C GLY A 69 4.717 9.339 14.823 1.00 0.00 C ATOM 1084 O GLY A 69 5.813 9.644 15.293 1.00 0.00 O ATOM 0 H GLY A 69 2.516 7.877 14.573 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.048 10.375 15.656 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.803 9.231 16.748 1.00 0.00 H new ATOM 1088 N LYS A 70 4.556 8.989 13.544 1.00 0.00 N ATOM 1089 CA LYS A 70 5.613 9.026 12.511 1.00 0.00 C ATOM 1090 C LYS A 70 5.193 9.936 11.335 1.00 0.00 C ATOM 1091 O LYS A 70 4.209 10.670 11.446 1.00 0.00 O ATOM 1092 CB LYS A 70 5.963 7.574 12.117 1.00 0.00 C ATOM 1093 CG LYS A 70 6.814 6.873 13.196 1.00 0.00 C ATOM 1094 CD LYS A 70 8.287 6.665 12.813 1.00 0.00 C ATOM 1095 CE LYS A 70 9.063 7.981 12.654 1.00 0.00 C ATOM 1096 NZ LYS A 70 10.526 7.743 12.522 1.00 0.00 N ATOM 0 H LYS A 70 3.661 8.661 13.180 1.00 0.00 H new ATOM 0 HA LYS A 70 6.528 9.479 12.893 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.044 7.010 11.957 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.505 7.575 11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.770 7.460 14.113 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.369 5.903 13.417 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.771 6.055 13.576 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.337 6.106 11.879 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.700 8.514 11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.874 8.621 13.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.980 8.588 12.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.932 7.545 13.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.690 6.930 11.895 1.00 0.00 H new ATOM 1110 N ASP A 71 5.918 9.915 10.211 1.00 0.00 N ATOM 1111 CA ASP A 71 5.769 10.891 9.111 1.00 0.00 C ATOM 1112 C ASP A 71 4.367 10.942 8.466 1.00 0.00 C ATOM 1113 O ASP A 71 3.971 11.977 7.931 1.00 0.00 O ATOM 1114 CB ASP A 71 6.840 10.612 8.047 1.00 0.00 C ATOM 1115 CG ASP A 71 6.957 11.761 7.030 1.00 0.00 C ATOM 1116 OD1 ASP A 71 7.467 12.842 7.411 1.00 0.00 O ATOM 1117 OD2 ASP A 71 6.560 11.576 5.856 1.00 0.00 O ATOM 0 H ASP A 71 6.636 9.213 10.032 1.00 0.00 H new ATOM 0 HA ASP A 71 5.902 11.876 9.557 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.803 10.460 8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.598 9.687 7.523 1.00 0.00 H new ATOM 1122 N CYS A 72 3.595 9.853 8.567 1.00 0.00 N ATOM 1123 CA CYS A 72 2.219 9.753 8.058 1.00 0.00 C ATOM 1124 C CYS A 72 1.142 9.791 9.160 1.00 0.00 C ATOM 1125 O CYS A 72 -0.041 9.636 8.860 1.00 0.00 O ATOM 1126 CB CYS A 72 2.123 8.500 7.187 1.00 0.00 C ATOM 1127 SG CYS A 72 3.337 8.476 5.837 1.00 0.00 S ATOM 0 H CYS A 72 3.917 8.995 9.016 1.00 0.00 H new ATOM 0 HA CYS A 72 2.007 10.639 7.459 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.266 7.619 7.812 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.120 8.433 6.767 1.00 0.00 H new ATOM 0 HG CYS A 72 4.490 8.090 6.297 1.00 0.00 H new ATOM 1132 N ASN A 73 1.535 9.990 10.427 1.00 0.00 N ATOM 1133 CA ASN A 73 0.653 10.195 11.586 1.00 0.00 C ATOM 1134 C ASN A 73 -0.394 9.070 11.744 1.00 0.00 C ATOM 1135 O ASN A 73 -1.599 9.309 11.851 1.00 0.00 O ATOM 1136 CB ASN A 73 0.059 11.617 11.541 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.648 12.012 12.839 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -0.340 11.524 13.922 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.613 12.911 12.771 1.00 0.00 N ATOM 0 H ASN A 73 2.522 10.013 10.683 1.00 0.00 H new ATOM 0 HA ASN A 73 1.245 10.125 12.499 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.856 12.331 11.336 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.648 11.683 10.714 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.102 13.199 13.618 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.869 13.317 11.871 1.00 0.00 H new ATOM 1146 N VAL A 74 0.087 7.823 11.719 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.719 6.596 11.705 1.00 0.00 C ATOM 1148 C VAL A 74 0.050 5.459 12.392 1.00 0.00 C ATOM 1149 O VAL A 74 1.279 5.433 12.391 1.00 0.00 O ATOM 1150 CB VAL A 74 -1.153 6.260 10.258 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.028 5.854 9.359 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -2.234 5.174 10.228 1.00 0.00 C ATOM 0 H VAL A 74 1.089 7.632 11.707 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.637 6.742 12.275 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.571 7.182 9.854 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.338 5.630 8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.745 6.673 9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.514 4.971 9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.512 4.966 9.195 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.849 4.265 10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.110 5.518 10.778 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.674 4.541 13.026 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.133 3.432 13.820 1.00 0.00 C ATOM 1164 C LYS A 75 -0.139 2.123 13.007 1.00 0.00 C ATOM 1165 O LYS A 75 -1.133 1.801 12.360 1.00 0.00 O ATOM 1166 CB LYS A 75 -0.998 3.362 15.090 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.425 2.520 16.238 1.00 0.00 C ATOM 1168 CD LYS A 75 -1.414 2.537 17.420 1.00 0.00 C ATOM 1169 CE LYS A 75 -1.312 1.298 18.319 1.00 0.00 C ATOM 1170 NZ LYS A 75 -2.296 1.348 19.436 1.00 0.00 N ATOM 0 H LYS A 75 -1.694 4.546 13.002 1.00 0.00 H new ATOM 0 HA LYS A 75 0.911 3.587 14.091 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.160 4.377 15.454 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.975 2.960 14.821 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.255 1.496 15.905 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.541 2.918 16.550 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.235 3.428 18.021 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.430 2.613 17.033 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.482 0.401 17.724 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.303 1.225 18.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.257 0.458 19.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.066 2.143 20.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.253 1.478 19.050 1.00 0.00 H new ATOM 1184 N CYS A 76 0.947 1.346 13.048 1.00 0.00 N ATOM 1185 CA CYS A 76 1.114 0.057 12.347 1.00 0.00 C ATOM 1186 C CYS A 76 -0.049 -0.928 12.560 1.00 0.00 C ATOM 1187 O CYS A 76 -0.450 -1.622 11.631 1.00 0.00 O ATOM 1188 CB CYS A 76 2.407 -0.596 12.847 1.00 0.00 C ATOM 1189 SG CYS A 76 3.909 0.343 12.528 1.00 0.00 S ATOM 0 H CYS A 76 1.771 1.603 13.591 1.00 0.00 H new ATOM 0 HA CYS A 76 1.142 0.277 11.280 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.321 -0.760 13.921 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.504 -1.577 12.381 1.00 0.00 H new ATOM 0 HG CYS A 76 3.828 0.908 11.360 1.00 0.00 H new ATOM 1194 N SER A 77 -0.625 -0.967 13.765 1.00 0.00 N ATOM 1195 CA SER A 77 -1.750 -1.862 14.089 1.00 0.00 C ATOM 1196 C SER A 77 -3.078 -1.398 13.454 1.00 0.00 C ATOM 1197 O SER A 77 -3.908 -2.222 13.069 1.00 0.00 O ATOM 1198 CB SER A 77 -1.878 -1.984 15.615 1.00 0.00 C ATOM 1199 OG SER A 77 -2.725 -3.062 15.983 1.00 0.00 O ATOM 0 H SER A 77 -0.328 -0.381 14.546 1.00 0.00 H new ATOM 0 HA SER A 77 -1.537 -2.842 13.661 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.891 -2.130 16.053 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.273 -1.054 16.023 1.00 0.00 H new ATOM 0 HG SER A 77 -2.784 -3.113 16.960 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.257 -0.086 13.239 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.412 0.471 12.521 1.00 0.00 C ATOM 1207 C ASP A 78 -4.391 0.159 11.015 1.00 0.00 C ATOM 1208 O ASP A 78 -5.413 0.313 10.351 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.506 1.991 12.755 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.639 2.345 13.724 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.805 2.390 13.265 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -5.363 2.576 14.924 1.00 0.00 O ATOM 0 H ASP A 78 -2.599 0.623 13.561 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.299 -0.015 12.928 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.559 2.358 13.152 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.670 2.497 11.803 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.260 -0.318 10.478 1.00 0.00 N ATOM 1218 CA LEU A 79 -3.134 -0.743 9.081 1.00 0.00 C ATOM 1219 C LEU A 79 -3.655 -2.173 8.855 1.00 0.00 C ATOM 1220 O LEU A 79 -3.819 -2.588 7.707 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.670 -0.622 8.610 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.918 0.680 8.951 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.433 0.669 8.229 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.686 1.937 8.541 1.00 0.00 C ATOM 0 H LEU A 79 -2.396 -0.420 11.011 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.757 -0.076 8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.110 -1.455 9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.654 -0.746 7.527 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.796 0.713 10.034 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.977 1.585 8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.015 -0.192 8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.270 0.606 7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.106 2.821 8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.856 1.925 7.464 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.645 1.963 9.059 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.921 -2.918 9.938 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.318 -4.331 9.923 1.00 0.00 C ATOM 1238 C LEU A 80 -5.843 -4.532 10.031 1.00 0.00 C ATOM 1239 O LEU A 80 -6.296 -5.667 10.205 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.575 -5.089 11.044 1.00 0.00 C ATOM 1241 CG LEU A 80 -2.042 -4.927 11.076 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.486 -5.718 12.269 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.360 -5.386 9.779 1.00 0.00 C ATOM 0 H LEU A 80 -3.863 -2.538 10.883 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.033 -4.741 8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.974 -4.759 12.003 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.805 -6.150 10.951 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.824 -3.864 11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.402 -5.611 12.303 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.917 -5.334 13.193 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.744 -6.771 12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.282 -5.246 9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.577 -6.440 9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.736 -4.798 8.942 1.00 0.00 H new ATOM 1255 N THR A 81 -6.635 -3.452 9.973 1.00 0.00 N ATOM 1256 CA THR A 81 -8.107 -3.471 10.103 1.00 0.00 C ATOM 1257 C THR A 81 -8.809 -3.864 8.799 1.00 0.00 C ATOM 1258 O THR A 81 -8.170 -4.212 7.809 1.00 0.00 O ATOM 1259 CB THR A 81 -8.611 -2.136 10.677 1.00 0.00 C ATOM 1260 OG1 THR A 81 -8.152 -1.054 9.899 1.00 0.00 O ATOM 1261 CG2 THR A 81 -8.106 -1.924 12.106 1.00 0.00 C ATOM 0 H THR A 81 -6.263 -2.513 9.831 1.00 0.00 H new ATOM 0 HA THR A 81 -8.371 -4.255 10.813 1.00 0.00 H new ATOM 0 HB THR A 81 -9.700 -2.178 10.667 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.229 -0.840 10.149 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.478 -0.972 12.486 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.464 -2.734 12.742 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.016 -1.915 12.109 1.00 0.00 H new ATOM 1269 N ASP A 82 -10.142 -3.851 8.803 1.00 0.00 N ATOM 1270 CA ASP A 82 -11.005 -4.257 7.682 1.00 0.00 C ATOM 1271 C ASP A 82 -11.227 -3.172 6.607 1.00 0.00 C ATOM 1272 O ASP A 82 -11.775 -3.461 5.544 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.345 -4.744 8.251 1.00 0.00 C ATOM 1274 CG ASP A 82 -13.148 -3.628 8.944 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -12.727 -3.182 10.039 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -14.207 -3.222 8.408 1.00 0.00 O ATOM 0 H ASP A 82 -10.676 -3.546 9.617 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.485 -5.057 7.155 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.944 -5.167 7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.160 -5.547 8.965 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.774 -1.944 6.863 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.693 -0.853 5.885 1.00 0.00 C ATOM 1283 C ASP A 83 -9.221 -0.482 5.647 1.00 0.00 C ATOM 1284 O ASP A 83 -8.471 -0.182 6.579 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.522 0.363 6.337 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.733 1.418 5.227 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.903 1.515 4.290 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.737 2.162 5.317 1.00 0.00 O ATOM 0 H ASP A 83 -10.442 -1.670 7.788 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.120 -1.191 4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.495 0.018 6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.026 0.835 7.185 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.819 -0.496 4.376 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.453 -0.222 3.912 1.00 0.00 C ATOM 1295 C ILE A 84 -7.036 1.249 4.080 1.00 0.00 C ATOM 1296 O ILE A 84 -5.848 1.549 3.947 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.294 -0.683 2.436 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.990 0.289 1.460 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.844 -2.107 2.231 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.759 -0.005 -0.023 1.00 0.00 C ATOM 0 H ILE A 84 -9.458 -0.706 3.610 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.778 -0.795 4.547 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.226 -0.685 2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.062 0.270 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.645 1.301 1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.718 -2.399 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.301 -2.802 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.903 -2.129 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.288 0.732 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.692 0.045 -0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.131 -1.002 -0.259 1.00 0.00 H new ATOM 1312 N THR A 85 -7.986 2.166 4.336 1.00 0.00 N ATOM 1313 CA THR A 85 -7.789 3.631 4.293 1.00 0.00 C ATOM 1314 C THR A 85 -6.631 4.143 5.141 1.00 0.00 C ATOM 1315 O THR A 85 -5.932 5.056 4.715 1.00 0.00 O ATOM 1316 CB THR A 85 -9.102 4.366 4.589 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.938 5.739 4.313 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.588 4.210 6.027 1.00 0.00 C ATOM 0 H THR A 85 -8.940 1.904 4.586 1.00 0.00 H new ATOM 0 HA THR A 85 -7.488 3.861 3.271 1.00 0.00 H new ATOM 0 HB THR A 85 -9.858 3.912 3.949 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.776 6.212 4.499 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.521 4.758 6.157 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.754 3.154 6.242 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.836 4.606 6.710 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.336 3.519 6.285 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.211 3.928 7.139 1.00 0.00 C ATOM 1328 C LYS A 86 -3.853 3.688 6.453 1.00 0.00 C ATOM 1329 O LYS A 86 -2.907 4.451 6.647 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.251 3.202 8.496 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.523 3.408 9.336 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.636 2.424 8.958 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.771 2.416 9.982 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.441 1.569 11.154 1.00 0.00 N ATOM 0 H LYS A 86 -6.863 2.723 6.645 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.318 4.999 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.127 2.134 8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.394 3.528 9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.281 3.291 10.392 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.882 4.428 9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.035 2.688 7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.218 1.421 8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.971 3.435 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.684 2.049 9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.246 1.559 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.242 0.599 10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.604 1.954 11.636 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.765 2.649 5.614 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.594 2.345 4.794 1.00 0.00 C ATOM 1350 C ALA A 87 -2.632 3.134 3.479 1.00 0.00 C ATOM 1351 O ALA A 87 -1.618 3.689 3.065 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.551 0.826 4.569 1.00 0.00 C ATOM 0 H ALA A 87 -4.526 1.982 5.486 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.679 2.651 5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.684 0.573 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.478 0.318 5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.460 0.508 4.058 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.810 3.256 2.862 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.996 3.929 1.581 1.00 0.00 C ATOM 1360 C ALA A 88 -3.749 5.447 1.646 1.00 0.00 C ATOM 1361 O ALA A 88 -3.162 6.009 0.726 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.399 3.582 1.076 1.00 0.00 C ATOM 0 H ALA A 88 -4.676 2.881 3.249 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.245 3.573 0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.572 4.070 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.485 2.502 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.141 3.926 1.797 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.097 6.118 2.748 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.775 7.541 2.957 1.00 0.00 C ATOM 1370 C LYS A 89 -2.270 7.794 3.125 1.00 0.00 C ATOM 1371 O LYS A 89 -1.716 8.781 2.639 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.576 8.062 4.160 1.00 0.00 C ATOM 1373 CG LYS A 89 -4.094 7.611 5.552 1.00 0.00 C ATOM 1374 CD LYS A 89 -5.106 7.927 6.664 1.00 0.00 C ATOM 1375 CE LYS A 89 -5.350 9.437 6.814 1.00 0.00 C ATOM 1376 NZ LYS A 89 -6.312 9.736 7.909 1.00 0.00 N ATOM 0 H LYS A 89 -4.609 5.695 3.522 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.062 8.092 2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.565 9.152 4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.614 7.750 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.903 6.538 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.147 8.100 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.050 7.428 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.743 7.524 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.404 9.940 7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.732 9.838 5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.450 10.764 7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.223 9.277 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.936 9.376 8.809 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.602 6.852 3.787 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.165 6.843 4.039 1.00 0.00 C ATOM 1392 C CYS A 90 0.618 6.497 2.761 1.00 0.00 C ATOM 1393 O CYS A 90 1.668 7.082 2.499 1.00 0.00 O ATOM 1394 CB CYS A 90 0.028 5.884 5.216 1.00 0.00 C ATOM 1395 SG CYS A 90 1.720 5.564 5.752 1.00 0.00 S ATOM 0 H CYS A 90 -2.071 6.036 4.180 1.00 0.00 H new ATOM 0 HA CYS A 90 0.239 7.819 4.310 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.527 6.279 6.067 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.429 4.930 4.952 1.00 0.00 H new ATOM 0 HG CYS A 90 2.465 6.593 5.476 1.00 0.00 H new ATOM 1400 N ALA A 91 0.038 5.670 1.886 1.00 0.00 N ATOM 1401 CA ALA A 91 0.527 5.421 0.534 1.00 0.00 C ATOM 1402 C ALA A 91 0.574 6.712 -0.302 1.00 0.00 C ATOM 1403 O ALA A 91 1.596 6.966 -0.935 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.353 4.346 -0.107 1.00 0.00 C ATOM 0 H ALA A 91 -0.807 5.143 2.108 1.00 0.00 H new ATOM 0 HA ALA A 91 1.555 5.062 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.003 4.146 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.299 3.431 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.385 4.694 -0.142 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.447 7.585 -0.244 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.379 8.909 -0.896 1.00 0.00 C ATOM 1412 C LYS A 92 0.767 9.785 -0.352 1.00 0.00 C ATOM 1413 O LYS A 92 1.480 10.418 -1.130 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.708 9.685 -0.796 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.003 8.907 -1.058 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.071 8.047 -2.330 1.00 0.00 C ATOM 1417 CE LYS A 92 -3.495 8.792 -3.604 1.00 0.00 C ATOM 1418 NZ LYS A 92 -2.449 9.696 -4.153 1.00 0.00 N ATOM 0 H LYS A 92 -1.324 7.402 0.243 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.178 8.695 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.771 10.117 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.666 10.516 -1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.183 8.256 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.824 9.623 -1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.091 7.600 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.770 7.228 -2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.766 8.062 -4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.390 9.376 -3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.706 9.977 -5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.374 10.544 -3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.535 9.201 -4.168 1.00 0.00 H new ATOM 1432 N LYS A 93 0.987 9.801 0.968 1.00 0.00 N ATOM 1433 CA LYS A 93 2.074 10.561 1.618 1.00 0.00 C ATOM 1434 C LYS A 93 3.479 10.028 1.258 1.00 0.00 C ATOM 1435 O LYS A 93 4.445 10.791 1.262 1.00 0.00 O ATOM 1436 CB LYS A 93 1.805 10.571 3.136 1.00 0.00 C ATOM 1437 CG LYS A 93 2.822 11.334 4.004 1.00 0.00 C ATOM 1438 CD LYS A 93 2.944 12.831 3.693 1.00 0.00 C ATOM 1439 CE LYS A 93 3.927 13.456 4.692 1.00 0.00 C ATOM 1440 NZ LYS A 93 4.085 14.919 4.487 1.00 0.00 N ATOM 0 H LYS A 93 0.410 9.281 1.628 1.00 0.00 H new ATOM 0 HA LYS A 93 2.075 11.585 1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.819 11.002 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.765 9.539 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.543 11.217 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.801 10.872 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.296 12.979 2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.970 13.314 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.578 13.269 5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.898 12.971 4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.758 15.297 5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.444 15.098 3.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.164 15.388 4.606 1.00 0.00 H new ATOM 1454 N ILE A 94 3.594 8.755 0.867 1.00 0.00 N ATOM 1455 CA ILE A 94 4.818 8.186 0.272 1.00 0.00 C ATOM 1456 C ILE A 94 4.926 8.587 -1.209 1.00 0.00 C ATOM 1457 O ILE A 94 5.962 9.092 -1.637 1.00 0.00 O ATOM 1458 CB ILE A 94 4.844 6.653 0.477 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.936 6.296 1.978 1.00 0.00 C ATOM 1460 CG2 ILE A 94 6.043 6.056 -0.280 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.585 4.837 2.298 1.00 0.00 C ATOM 0 H ILE A 94 2.835 8.080 0.954 1.00 0.00 H new ATOM 0 HA ILE A 94 5.695 8.593 0.776 1.00 0.00 H new ATOM 0 HB ILE A 94 3.917 6.233 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.948 6.500 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.268 6.950 2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.063 4.976 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.950 6.279 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.967 6.490 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.674 4.668 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.562 4.631 1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.269 4.174 1.769 1.00 0.00 H new ATOM 1473 N TYR A 95 3.843 8.449 -1.979 1.00 0.00 N ATOM 1474 CA TYR A 95 3.748 8.843 -3.395 1.00 0.00 C ATOM 1475 C TYR A 95 4.088 10.327 -3.649 1.00 0.00 C ATOM 1476 O TYR A 95 4.626 10.668 -4.702 1.00 0.00 O ATOM 1477 CB TYR A 95 2.367 8.414 -3.931 1.00 0.00 C ATOM 1478 CG TYR A 95 1.749 9.234 -5.051 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.147 10.475 -4.760 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.707 8.733 -6.366 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.547 11.232 -5.784 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.109 9.484 -7.397 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.531 10.742 -7.108 1.00 0.00 C ATOM 1484 OH TYR A 95 -0.053 11.476 -8.097 1.00 0.00 O ATOM 0 H TYR A 95 2.975 8.046 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 95 4.518 8.319 -3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.449 7.384 -4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.669 8.414 -3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.146 10.847 -3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.136 7.767 -6.586 1.00 0.00 H new ATOM 0 HE1 TYR A 95 0.099 12.188 -5.557 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.092 9.100 -8.406 1.00 0.00 H new ATOM 0 HH TYR A 95 0.023 10.997 -8.948 1.00 0.00 H new ATOM 1494 N LYS A 96 3.883 11.189 -2.647 1.00 0.00 N ATOM 1495 CA LYS A 96 4.334 12.586 -2.580 1.00 0.00 C ATOM 1496 C LYS A 96 5.853 12.796 -2.775 1.00 0.00 C ATOM 1497 O LYS A 96 6.276 13.925 -3.049 1.00 0.00 O ATOM 1498 CB LYS A 96 3.878 13.135 -1.209 1.00 0.00 C ATOM 1499 CG LYS A 96 2.745 14.164 -1.301 1.00 0.00 C ATOM 1500 CD LYS A 96 1.399 13.594 -1.779 1.00 0.00 C ATOM 1501 CE LYS A 96 0.377 14.696 -2.103 1.00 0.00 C ATOM 1502 NZ LYS A 96 -0.047 15.468 -0.903 1.00 0.00 N ATOM 0 H LYS A 96 3.367 10.915 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 96 3.889 13.124 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.551 12.303 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.732 13.592 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.604 14.618 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.049 14.960 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.562 12.981 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.991 12.939 -1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.808 15.380 -2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.500 14.245 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.735 16.195 -1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.485 14.825 -0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.783 15.924 -0.473 1.00 0.00 H new ATOM 1516 N ARG A 97 6.675 11.747 -2.628 1.00 0.00 N ATOM 1517 CA ARG A 97 8.127 11.749 -2.885 1.00 0.00 C ATOM 1518 C ARG A 97 8.587 10.581 -3.773 1.00 0.00 C ATOM 1519 O ARG A 97 9.544 10.727 -4.533 1.00 0.00 O ATOM 1520 CB ARG A 97 8.887 11.722 -1.545 1.00 0.00 C ATOM 1521 CG ARG A 97 8.663 12.957 -0.656 1.00 0.00 C ATOM 1522 CD ARG A 97 9.190 14.252 -1.285 1.00 0.00 C ATOM 1523 NE ARG A 97 8.950 15.399 -0.395 1.00 0.00 N ATOM 1524 CZ ARG A 97 7.954 16.277 -0.466 1.00 0.00 C ATOM 1525 NH1 ARG A 97 6.994 16.192 -1.366 1.00 0.00 N ATOM 1526 NH2 ARG A 97 7.909 17.274 0.390 1.00 0.00 N ATOM 0 H ARG A 97 6.336 10.837 -2.315 1.00 0.00 H new ATOM 0 HA ARG A 97 8.353 12.664 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.588 10.833 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.953 11.626 -1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.597 13.065 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.154 12.800 0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.257 14.157 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.701 14.421 -2.244 1.00 0.00 H new ATOM 0 HE ARG A 97 9.622 15.536 0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.997 15.430 -2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.249 16.888 -1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.634 17.369 1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.149 17.952 0.343 1.00 0.00 H new ATOM 1540 N HIS A 98 7.889 9.446 -3.714 1.00 0.00 N ATOM 1541 CA HIS A 98 8.217 8.191 -4.400 1.00 0.00 C ATOM 1542 C HIS A 98 6.934 7.517 -4.932 1.00 0.00 C ATOM 1543 O HIS A 98 6.372 6.635 -4.279 1.00 0.00 O ATOM 1544 CB HIS A 98 8.970 7.285 -3.407 1.00 0.00 C ATOM 1545 CG HIS A 98 10.300 7.824 -2.959 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.470 7.837 -3.722 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.559 8.378 -1.738 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.404 8.404 -2.939 1.00 0.00 C ATOM 1549 NE2 HIS A 98 11.887 8.739 -1.743 1.00 0.00 N ATOM 0 H HIS A 98 7.036 9.371 -3.159 1.00 0.00 H new ATOM 0 HA HIS A 98 8.854 8.382 -5.264 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.342 7.127 -2.530 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.124 6.310 -3.869 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.858 8.508 -0.927 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.431 8.568 -3.231 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.391 9.183 -0.975 1.00 0.00 H new ATOM 1557 N ARG A 99 6.448 7.951 -6.108 1.00 0.00 N ATOM 1558 CA ARG A 99 5.131 7.582 -6.660 1.00 0.00 C ATOM 1559 C ARG A 99 4.852 6.071 -6.693 1.00 0.00 C ATOM 1560 O ARG A 99 3.760 5.647 -6.316 1.00 0.00 O ATOM 1561 CB ARG A 99 4.899 8.245 -8.009 1.00 0.00 C ATOM 1562 CG ARG A 99 5.889 7.859 -9.109 1.00 0.00 C ATOM 1563 CD ARG A 99 5.460 8.674 -10.317 1.00 0.00 C ATOM 1564 NE ARG A 99 6.294 8.388 -11.496 1.00 0.00 N ATOM 1565 CZ ARG A 99 6.111 8.858 -12.725 1.00 0.00 C ATOM 1566 NH1 ARG A 99 5.118 9.673 -13.021 1.00 0.00 N ATOM 1567 NH2 ARG A 99 6.939 8.512 -13.687 1.00 0.00 N ATOM 0 H ARG A 99 6.971 8.582 -6.715 1.00 0.00 H new ATOM 0 HA ARG A 99 4.395 7.973 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.892 7.999 -8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.935 9.326 -7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.914 8.091 -8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.851 6.790 -9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.417 8.458 -10.549 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.520 9.736 -10.079 1.00 0.00 H new ATOM 0 HE ARG A 99 7.091 7.768 -11.355 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.461 9.961 -12.296 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.006 10.015 -13.975 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.718 7.885 -13.488 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.802 8.871 -14.632 1.00 0.00 H new ATOM 1581 N PHE A 100 5.866 5.278 -7.048 1.00 0.00 N ATOM 1582 CA PHE A 100 5.879 3.812 -6.949 1.00 0.00 C ATOM 1583 C PHE A 100 7.246 3.252 -6.487 1.00 0.00 C ATOM 1584 O PHE A 100 7.389 2.052 -6.262 1.00 0.00 O ATOM 1585 CB PHE A 100 5.524 3.211 -8.314 1.00 0.00 C ATOM 1586 CG PHE A 100 4.220 3.668 -8.936 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.002 3.367 -8.303 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.219 4.376 -10.155 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.790 3.779 -8.873 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.003 4.787 -10.728 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.788 4.489 -10.086 1.00 0.00 C ATOM 0 H PHE A 100 6.736 5.652 -7.427 1.00 0.00 H new ATOM 0 HA PHE A 100 5.143 3.533 -6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.332 3.441 -9.008 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.491 2.126 -8.211 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.000 2.816 -7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.152 4.603 -10.649 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.857 3.551 -8.380 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.002 5.331 -11.661 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.853 4.806 -10.525 1.00 0.00 H new ATOM 1601 N ASP A 101 8.253 4.118 -6.334 1.00 0.00 N ATOM 1602 CA ASP A 101 9.671 3.784 -6.156 1.00 0.00 C ATOM 1603 C ASP A 101 10.027 3.237 -4.761 1.00 0.00 C ATOM 1604 O ASP A 101 11.079 2.619 -4.589 1.00 0.00 O ATOM 1605 CB ASP A 101 10.515 5.043 -6.445 1.00 0.00 C ATOM 1606 CG ASP A 101 10.016 5.881 -7.637 1.00 0.00 C ATOM 1607 OD1 ASP A 101 8.975 6.566 -7.475 1.00 0.00 O ATOM 1608 OD2 ASP A 101 10.662 5.851 -8.712 1.00 0.00 O ATOM 0 H ASP A 101 8.093 5.125 -6.331 1.00 0.00 H new ATOM 0 HA ASP A 101 9.891 2.978 -6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.526 5.671 -5.554 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.545 4.740 -6.635 1.00 0.00 H new ATOM 1613 N ALA A 102 9.152 3.449 -3.771 1.00 0.00 N ATOM 1614 CA ALA A 102 9.333 2.995 -2.389 1.00 0.00 C ATOM 1615 C ALA A 102 9.014 1.499 -2.180 1.00 0.00 C ATOM 1616 O ALA A 102 9.244 0.972 -1.089 1.00 0.00 O ATOM 1617 CB ALA A 102 8.475 3.888 -1.485 1.00 0.00 C ATOM 0 H ALA A 102 8.277 3.954 -3.913 1.00 0.00 H new ATOM 0 HA ALA A 102 10.388 3.086 -2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.590 3.573 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.796 4.925 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.428 3.802 -1.777 1.00 0.00 H new ATOM 1623 N TRP A 103 8.509 0.815 -3.213 1.00 0.00 N ATOM 1624 CA TRP A 103 8.028 -0.567 -3.149 1.00 0.00 C ATOM 1625 C TRP A 103 8.718 -1.461 -4.178 1.00 0.00 C ATOM 1626 O TRP A 103 8.683 -1.212 -5.384 1.00 0.00 O ATOM 1627 CB TRP A 103 6.510 -0.559 -3.349 1.00 0.00 C ATOM 1628 CG TRP A 103 5.733 0.180 -2.305 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.381 -0.320 -1.103 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.181 1.535 -2.345 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.622 0.604 -0.419 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.430 1.755 -1.150 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.220 2.594 -3.276 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.702 2.934 -0.923 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.504 3.786 -3.056 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.730 3.950 -1.894 1.00 0.00 C ATOM 0 H TRP A 103 8.422 1.222 -4.144 1.00 0.00 H new ATOM 0 HA TRP A 103 8.271 -0.986 -2.173 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.290 -0.119 -4.322 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.158 -1.590 -3.379 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.653 -1.297 -0.733 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.247 0.453 0.517 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.810 2.488 -4.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.129 3.058 -0.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.550 4.581 -3.786 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.158 4.854 -1.748 1.00 0.00 H new ATOM 1647 N TYR A 104 9.353 -2.523 -3.682 1.00 0.00 N ATOM 1648 CA TYR A 104 10.221 -3.380 -4.482 1.00 0.00 C ATOM 1649 C TYR A 104 9.466 -4.247 -5.501 1.00 0.00 C ATOM 1650 O TYR A 104 9.966 -4.464 -6.604 1.00 0.00 O ATOM 1651 CB TYR A 104 11.079 -4.237 -3.548 1.00 0.00 C ATOM 1652 CG TYR A 104 12.227 -4.876 -4.294 1.00 0.00 C ATOM 1653 CD1 TYR A 104 13.296 -4.065 -4.712 1.00 0.00 C ATOM 1654 CD2 TYR A 104 12.189 -6.238 -4.641 1.00 0.00 C ATOM 1655 CE1 TYR A 104 14.337 -4.613 -5.487 1.00 0.00 C ATOM 1656 CE2 TYR A 104 13.228 -6.795 -5.412 1.00 0.00 C ATOM 1657 CZ TYR A 104 14.300 -5.982 -5.844 1.00 0.00 C ATOM 1658 OH TYR A 104 15.287 -6.520 -6.615 1.00 0.00 O ATOM 0 H TYR A 104 9.277 -2.813 -2.707 1.00 0.00 H new ATOM 0 HA TYR A 104 10.858 -2.730 -5.082 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.467 -3.620 -2.738 1.00 0.00 H new ATOM 0 HB3 TYR A 104 10.462 -5.011 -3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.319 -3.020 -4.439 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.365 -6.856 -4.317 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.160 -3.991 -5.807 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.205 -7.843 -5.673 1.00 0.00 H new ATOM 0 HH TYR A 104 15.104 -7.471 -6.763 1.00 0.00 H new ATOM 1668 N GLY A 105 8.240 -4.680 -5.186 1.00 0.00 N ATOM 1669 CA GLY A 105 7.405 -5.487 -6.080 1.00 0.00 C ATOM 1670 C GLY A 105 7.027 -4.746 -7.361 1.00 0.00 C ATOM 1671 O GLY A 105 6.929 -5.365 -8.420 1.00 0.00 O ATOM 0 H GLY A 105 7.795 -4.477 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.936 -6.403 -6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.497 -5.782 -5.554 1.00 0.00 H new ATOM 1675 N TRP A 106 6.898 -3.416 -7.303 1.00 0.00 N ATOM 1676 CA TRP A 106 6.642 -2.606 -8.492 1.00 0.00 C ATOM 1677 C TRP A 106 7.858 -2.539 -9.435 1.00 0.00 C ATOM 1678 O TRP A 106 7.724 -2.763 -10.640 1.00 0.00 O ATOM 1679 CB TRP A 106 6.139 -1.220 -8.090 1.00 0.00 C ATOM 1680 CG TRP A 106 5.925 -0.306 -9.253 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.797 -0.194 -9.990 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.890 0.601 -9.861 1.00 0.00 C ATOM 1683 NE1 TRP A 106 5.008 0.698 -11.026 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.283 1.223 -10.992 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.221 0.957 -9.559 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 6.976 2.142 -11.796 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 8.929 1.867 -10.361 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.310 2.462 -11.478 1.00 0.00 C ATOM 0 H TRP A 106 6.968 -2.878 -6.439 1.00 0.00 H new ATOM 0 HA TRP A 106 5.856 -3.096 -9.067 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.202 -1.326 -7.544 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.857 -0.765 -7.407 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.873 -0.720 -9.799 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.308 0.938 -11.728 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.704 0.522 -8.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.492 2.598 -12.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 9.953 2.112 -10.120 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.858 3.163 -12.090 1.00 0.00 H new ATOM 1699 N LYS A 107 9.061 -2.294 -8.909 1.00 0.00 N ATOM 1700 CA LYS A 107 10.294 -2.249 -9.718 1.00 0.00 C ATOM 1701 C LYS A 107 10.848 -3.639 -10.101 1.00 0.00 C ATOM 1702 O LYS A 107 11.682 -3.728 -11.004 1.00 0.00 O ATOM 1703 CB LYS A 107 11.343 -1.318 -9.075 1.00 0.00 C ATOM 1704 CG LYS A 107 11.644 -1.615 -7.599 1.00 0.00 C ATOM 1705 CD LYS A 107 12.744 -0.718 -7.012 1.00 0.00 C ATOM 1706 CE LYS A 107 14.122 -1.013 -7.621 1.00 0.00 C ATOM 1707 NZ LYS A 107 15.185 -0.168 -7.017 1.00 0.00 N ATOM 0 H LYS A 107 9.213 -2.121 -7.915 1.00 0.00 H new ATOM 0 HA LYS A 107 10.022 -1.811 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.271 -1.391 -9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.997 -0.288 -9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.732 -1.488 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 107 11.943 -2.658 -7.499 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.489 0.327 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.788 -0.860 -5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.367 -2.065 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 107 14.088 -0.841 -8.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 16.101 -0.397 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.965 0.835 -7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.235 -0.351 -5.994 1.00 0.00 H new ATOM 1721 N ASN A 108 10.352 -4.722 -9.490 1.00 0.00 N ATOM 1722 CA ASN A 108 10.746 -6.105 -9.798 1.00 0.00 C ATOM 1723 C ASN A 108 9.768 -6.839 -10.746 1.00 0.00 C ATOM 1724 O ASN A 108 10.214 -7.671 -11.537 1.00 0.00 O ATOM 1725 CB ASN A 108 10.942 -6.862 -8.475 1.00 0.00 C ATOM 1726 CG ASN A 108 11.667 -8.191 -8.671 1.00 0.00 C ATOM 1727 OD1 ASN A 108 11.061 -9.243 -8.819 1.00 0.00 O ATOM 1728 ND2 ASN A 108 12.990 -8.184 -8.674 1.00 0.00 N ATOM 0 H ASN A 108 9.651 -4.661 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 108 11.683 -6.073 -10.353 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.509 -6.239 -7.783 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.970 -7.045 -8.016 1.00 0.00 H new ATOM 0 HD21 ASN A 108 13.504 -9.056 -8.800 1.00 0.00 H new ATOM 0 HD22 ASN A 108 13.496 -7.307 -8.551 1.00 0.00 H new ATOM 1735 N HIS A 109 8.463 -6.509 -10.731 1.00 0.00 N ATOM 1736 CA HIS A 109 7.430 -7.205 -11.529 1.00 0.00 C ATOM 1737 C HIS A 109 6.600 -6.291 -12.455 1.00 0.00 C ATOM 1738 O HIS A 109 6.393 -6.625 -13.623 1.00 0.00 O ATOM 1739 CB HIS A 109 6.492 -7.971 -10.585 1.00 0.00 C ATOM 1740 CG HIS A 109 7.170 -9.005 -9.729 1.00 0.00 C ATOM 1741 ND1 HIS A 109 7.624 -10.251 -10.170 1.00 0.00 N ATOM 1742 CD2 HIS A 109 7.406 -8.894 -8.390 1.00 0.00 C ATOM 1743 CE1 HIS A 109 8.128 -10.855 -9.082 1.00 0.00 C ATOM 1744 NE2 HIS A 109 8.009 -10.067 -7.998 1.00 0.00 N ATOM 0 H HIS A 109 8.091 -5.748 -10.162 1.00 0.00 H new ATOM 0 HA HIS A 109 7.970 -7.880 -12.193 1.00 0.00 H new ATOM 0 HB2 HIS A 109 5.988 -7.255 -9.936 1.00 0.00 H new ATOM 0 HB3 HIS A 109 5.720 -8.460 -11.180 1.00 0.00 H new ATOM 0 HD2 HIS A 109 7.166 -8.050 -7.760 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.569 -11.841 -9.078 1.00 0.00 H new ATOM 0 HE2 HIS A 109 8.312 -10.298 -7.052 1.00 0.00 H new ATOM 1752 N CYS A 110 6.158 -5.116 -11.983 1.00 0.00 N ATOM 1753 CA CYS A 110 5.269 -4.213 -12.747 1.00 0.00 C ATOM 1754 C CYS A 110 5.933 -3.547 -13.969 1.00 0.00 C ATOM 1755 O CYS A 110 5.245 -2.934 -14.785 1.00 0.00 O ATOM 1756 CB CYS A 110 4.680 -3.146 -11.815 1.00 0.00 C ATOM 1757 SG CYS A 110 3.731 -3.784 -10.411 1.00 0.00 S ATOM 0 H CYS A 110 6.404 -4.760 -11.060 1.00 0.00 H new ATOM 0 HA CYS A 110 4.478 -4.845 -13.152 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.495 -2.531 -11.432 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.035 -2.491 -12.401 1.00 0.00 H new ATOM 0 HG CYS A 110 2.802 -4.584 -10.843 1.00 0.00 H new ATOM 1762 N GLN A 111 7.255 -3.685 -14.119 1.00 0.00 N ATOM 1763 CA GLN A 111 8.010 -3.188 -15.277 1.00 0.00 C ATOM 1764 C GLN A 111 7.811 -4.059 -16.534 1.00 0.00 C ATOM 1765 O GLN A 111 8.024 -3.574 -17.646 1.00 0.00 O ATOM 1766 CB GLN A 111 9.512 -3.112 -14.935 1.00 0.00 C ATOM 1767 CG GLN A 111 9.850 -2.371 -13.630 1.00 0.00 C ATOM 1768 CD GLN A 111 9.266 -0.959 -13.560 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.605 -0.074 -14.336 1.00 0.00 O ATOM 1770 NE2 GLN A 111 8.367 -0.695 -12.636 1.00 0.00 N ATOM 0 H GLN A 111 7.841 -4.153 -13.428 1.00 0.00 H new ATOM 0 HA GLN A 111 7.625 -2.194 -15.504 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.905 -4.127 -14.870 1.00 0.00 H new ATOM 0 HB3 GLN A 111 10.031 -2.621 -15.758 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.478 -2.951 -12.786 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.933 -2.313 -13.525 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.077 -1.424 -11.984 1.00 0.00 H new ATOM 0 HE22 GLN A 111 7.961 0.238 -12.572 1.00 0.00 H new ATOM 1779 N GLY A 112 7.399 -5.328 -16.376 1.00 0.00 N ATOM 1780 CA GLY A 112 7.191 -6.270 -17.484 1.00 0.00 C ATOM 1781 C GLY A 112 5.788 -6.183 -18.087 1.00 0.00 C ATOM 1782 O GLY A 112 5.641 -6.161 -19.309 1.00 0.00 O ATOM 0 H GLY A 112 7.199 -5.732 -15.461 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.928 -6.075 -18.263 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.365 -7.285 -17.128 1.00 0.00 H new ATOM 1786 N SER A 113 4.759 -6.114 -17.241 1.00 0.00 N ATOM 1787 CA SER A 113 3.338 -6.045 -17.620 1.00 0.00 C ATOM 1788 C SER A 113 2.451 -5.721 -16.401 1.00 0.00 C ATOM 1789 O SER A 113 2.846 -5.966 -15.256 1.00 0.00 O ATOM 1790 CB SER A 113 2.888 -7.371 -18.263 1.00 0.00 C ATOM 1791 OG SER A 113 1.613 -7.233 -18.878 1.00 0.00 O ATOM 0 H SER A 113 4.894 -6.104 -16.230 1.00 0.00 H new ATOM 0 HA SER A 113 3.225 -5.241 -18.347 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.621 -7.687 -19.005 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.847 -8.152 -17.504 1.00 0.00 H new ATOM 0 HG SER A 113 1.350 -8.087 -19.280 1.00 0.00 H new ATOM 1797 N LEU A 114 1.250 -5.175 -16.639 1.00 0.00 N ATOM 1798 CA LEU A 114 0.239 -4.859 -15.627 1.00 0.00 C ATOM 1799 C LEU A 114 -1.087 -5.606 -15.887 1.00 0.00 C ATOM 1800 O LEU A 114 -1.438 -5.828 -17.053 1.00 0.00 O ATOM 1801 CB LEU A 114 -0.013 -3.344 -15.657 1.00 0.00 C ATOM 1802 CG LEU A 114 1.184 -2.476 -15.228 1.00 0.00 C ATOM 1803 CD1 LEU A 114 0.854 -1.012 -15.528 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.501 -2.648 -13.737 1.00 0.00 C ATOM 0 H LEU A 114 0.947 -4.932 -17.582 1.00 0.00 H new ATOM 0 HA LEU A 114 0.608 -5.177 -14.652 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.305 -3.060 -16.668 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.858 -3.119 -15.006 1.00 0.00 H new ATOM 0 HG LEU A 114 2.066 -2.791 -15.786 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.692 -0.382 -15.230 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.671 -0.892 -16.596 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.036 -0.718 -14.972 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.351 -2.020 -13.471 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.634 -2.355 -13.145 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.743 -3.691 -13.534 1.00 0.00 H new ATOM 1816 N PRO A 115 -1.873 -5.924 -14.839 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.207 -6.493 -14.971 1.00 0.00 C ATOM 1818 C PRO A 115 -4.178 -5.451 -15.528 1.00 0.00 C ATOM 1819 O PRO A 115 -4.065 -4.260 -15.238 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.605 -6.926 -13.560 1.00 0.00 C ATOM 1821 CG PRO A 115 -2.879 -5.925 -12.665 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.584 -5.667 -13.437 1.00 0.00 C ATOM 0 HA PRO A 115 -3.229 -7.334 -15.664 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.685 -6.884 -13.416 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.295 -7.950 -13.351 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.457 -5.011 -12.526 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.685 -6.334 -11.673 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.246 -4.641 -13.294 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -0.785 -6.318 -13.081 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.141 -5.905 -16.329 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.248 -5.081 -16.818 1.00 0.00 C ATOM 1832 C ASP A 116 -7.359 -4.949 -15.755 1.00 0.00 C ATOM 1833 O ASP A 116 -7.558 -5.811 -14.895 1.00 0.00 O ATOM 1834 CB ASP A 116 -6.760 -5.651 -18.153 1.00 0.00 C ATOM 1835 CG ASP A 116 -7.594 -4.667 -19.002 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -7.900 -3.541 -18.539 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -7.919 -5.033 -20.157 1.00 0.00 O ATOM 0 H ASP A 116 -5.176 -6.869 -16.662 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.893 -4.067 -17.004 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.905 -5.982 -18.742 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.365 -6.534 -17.946 1.00 0.00 H new ATOM 1842 N ILE A 117 -8.077 -3.832 -15.834 1.00 0.00 N ATOM 1843 CA ILE A 117 -9.093 -3.356 -14.883 1.00 0.00 C ATOM 1844 C ILE A 117 -10.354 -2.826 -15.584 1.00 0.00 C ATOM 1845 O ILE A 117 -11.270 -2.350 -14.921 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.491 -2.265 -13.969 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -8.041 -1.054 -14.820 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.354 -2.832 -13.095 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.688 0.163 -13.980 1.00 0.00 C ATOM 0 H ILE A 117 -7.961 -3.187 -16.616 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.399 -4.212 -14.281 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.258 -1.915 -13.278 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.176 -1.339 -15.419 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.837 -0.790 -15.516 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.951 -2.040 -12.463 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.743 -3.634 -12.468 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.563 -3.223 -13.735 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.380 0.979 -14.633 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.559 0.471 -13.401 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.872 -0.087 -13.302 1.00 0.00 H new ATOM 1861 N SER A 118 -10.417 -2.872 -16.914 1.00 0.00 N ATOM 1862 CA SER A 118 -11.562 -2.371 -17.701 1.00 0.00 C ATOM 1863 C SER A 118 -12.921 -3.027 -17.361 1.00 0.00 C ATOM 1864 O SER A 118 -13.977 -2.444 -17.618 1.00 0.00 O ATOM 1865 CB SER A 118 -11.265 -2.519 -19.202 1.00 0.00 C ATOM 1866 OG SER A 118 -11.139 -3.885 -19.580 1.00 0.00 O ATOM 0 H SER A 118 -9.670 -3.261 -17.489 1.00 0.00 H new ATOM 0 HA SER A 118 -11.672 -1.322 -17.428 1.00 0.00 H new ATOM 0 HB2 SER A 118 -12.064 -2.054 -19.779 1.00 0.00 H new ATOM 0 HB3 SER A 118 -10.345 -1.987 -19.445 1.00 0.00 H new ATOM 0 HG SER A 118 -10.952 -3.943 -20.540 1.00 0.00 H new ATOM 1872 N SER A 119 -12.919 -4.210 -16.737 1.00 0.00 N ATOM 1873 CA SER A 119 -14.115 -4.902 -16.230 1.00 0.00 C ATOM 1874 C SER A 119 -14.612 -4.381 -14.861 1.00 0.00 C ATOM 1875 O SER A 119 -15.692 -4.783 -14.413 1.00 0.00 O ATOM 1876 CB SER A 119 -13.820 -6.407 -16.116 1.00 0.00 C ATOM 1877 OG SER A 119 -13.400 -6.965 -17.358 1.00 0.00 O ATOM 0 H SER A 119 -12.059 -4.731 -16.564 1.00 0.00 H new ATOM 0 HA SER A 119 -14.911 -4.702 -16.947 1.00 0.00 H new ATOM 0 HB2 SER A 119 -13.046 -6.569 -15.366 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.713 -6.926 -15.769 1.00 0.00 H new ATOM 0 HG SER A 119 -13.221 -7.922 -17.243 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.848 -3.509 -14.188 1.00 0.00 N ATOM 1884 CA CYS A 120 -14.116 -2.995 -12.841 1.00 0.00 C ATOM 1885 C CYS A 120 -14.875 -1.651 -12.871 1.00 0.00 C ATOM 1886 O CYS A 120 -15.944 -1.559 -12.230 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.781 -2.867 -12.088 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.732 -4.346 -12.082 1.00 0.00 S ATOM 1889 OXT CYS A 120 -14.374 -0.672 -13.474 1.00 0.00 O ATOM 0 H CYS A 120 -12.990 -3.127 -14.586 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.767 -3.697 -12.319 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.215 -2.045 -12.527 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -12.993 -2.591 -11.055 1.00 0.00 H new ATOM 0 HG CYS A 120 -12.381 -5.336 -11.546 1.00 0.00 H new TER 1894 CYS A 120