USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 760 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 56 ASN : amide:sc= -0.695 X(o=-0.7,f=-0.23) USER MOD Set 1.2: A 100 GLN : amide:sc= 0 X(o=-0.7,f=-0.35) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.232) USER MOD Single : A 29 GLN : amide:sc= -0.0754 K(o=-0.075,f=-1.6!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0394 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.7! C(o=-3.7!,f=-7.1!) USER MOD Single : A 46 MET CE :methyl -170:sc= -1.63 (180deg=-2.07) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc=-0.00442 (180deg=-0.113) USER MOD Single : A 48 ASN : amide:sc= -2.01! C(o=-2!,f=-6.5!) USER MOD Single : A 51 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.57) USER MOD Single : A 52 ASN : amide:sc= -1.34! C(o=-1.3!,f=-0.039!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc=-0.00289 (180deg=-0.0761) USER MOD Single : A 60 TYR OH : rot 0:sc= -1.81 USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.235) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.943 USER MOD Single : A 76 SER OG : rot 47:sc= 0.232 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0427 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.128 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 157:sc= -0.786 (180deg=-1.99!) USER MOD Single : A 93 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.4) USER MOD Single : A 94 ASN : amide:sc= -0.554 X(o=-0.55,f=-0.37) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.579 X(o=-0.58,f=-0.56) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.016 X(o=-0.016,f=-0.11) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -12.872 -12.945 -7.894 1.00 0.00 N ATOM 2 CA THR A 26 -11.690 -13.348 -7.140 1.00 0.00 C ATOM 3 C THR A 26 -10.438 -13.264 -8.008 1.00 0.00 C ATOM 4 O THR A 26 -10.450 -12.645 -9.072 1.00 0.00 O ATOM 5 CB THR A 26 -11.866 -14.772 -6.607 1.00 0.00 C ATOM 6 OG1 THR A 26 -11.704 -15.720 -7.646 1.00 0.00 O ATOM 7 CG2 THR A 26 -13.218 -15.013 -5.972 1.00 0.00 C ATOM 0 HA THR A 26 -11.571 -12.665 -6.299 1.00 0.00 H new ATOM 0 HB THR A 26 -11.099 -14.889 -5.842 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.819 -16.624 -7.285 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.275 -16.042 -5.616 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.353 -14.331 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.002 -14.840 -6.709 1.00 0.00 H new ATOM 15 N SER A 27 -9.356 -13.890 -7.547 1.00 0.00 N ATOM 16 CA SER A 27 -8.094 -13.884 -8.281 1.00 0.00 C ATOM 17 C SER A 27 -7.450 -12.503 -8.238 1.00 0.00 C ATOM 18 O SER A 27 -6.386 -12.323 -7.646 1.00 0.00 O ATOM 19 CB SER A 27 -8.314 -14.313 -9.735 1.00 0.00 C ATOM 20 OG SER A 27 -7.109 -14.774 -10.320 1.00 0.00 O ATOM 0 H SER A 27 -9.329 -14.407 -6.668 1.00 0.00 H new ATOM 0 HA SER A 27 -7.423 -14.597 -7.802 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.066 -15.101 -9.775 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.703 -13.473 -10.310 1.00 0.00 H new ATOM 0 HG SER A 27 -7.277 -15.043 -11.247 1.00 0.00 H new ATOM 25 N LYS A 28 -8.102 -11.532 -8.865 1.00 0.00 N ATOM 26 CA LYS A 28 -7.595 -10.167 -8.895 1.00 0.00 C ATOM 27 C LYS A 28 -8.534 -9.222 -8.155 1.00 0.00 C ATOM 28 O LYS A 28 -9.724 -9.148 -8.463 1.00 0.00 O ATOM 29 CB LYS A 28 -7.412 -9.699 -10.340 1.00 0.00 C ATOM 30 CG LYS A 28 -6.400 -10.521 -11.121 1.00 0.00 C ATOM 31 CD LYS A 28 -6.777 -10.622 -12.590 1.00 0.00 C ATOM 32 CE LYS A 28 -7.713 -11.793 -12.846 1.00 0.00 C ATOM 33 NZ LYS A 28 -9.130 -11.354 -12.974 1.00 0.00 N ATOM 0 H LYS A 28 -8.984 -11.665 -9.360 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.628 -10.154 -8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.374 -9.740 -10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.097 -8.656 -10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.413 -10.068 -11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.333 -11.521 -10.692 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.256 -9.696 -12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.875 -10.738 -13.191 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.409 -12.308 -13.757 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.628 -12.511 -12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.684 -12.101 -13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.523 -11.169 -12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.174 -10.485 -13.543 1.00 0.00 H new ATOM 47 N GLN A 29 -7.995 -8.502 -7.177 1.00 0.00 N ATOM 48 CA GLN A 29 -8.789 -7.564 -6.395 1.00 0.00 C ATOM 49 C GLN A 29 -8.132 -6.192 -6.363 1.00 0.00 C ATOM 50 O GLN A 29 -6.909 -6.078 -6.285 1.00 0.00 O ATOM 51 CB GLN A 29 -8.984 -8.087 -4.970 1.00 0.00 C ATOM 52 CG GLN A 29 -10.316 -7.691 -4.355 1.00 0.00 C ATOM 53 CD GLN A 29 -11.377 -8.762 -4.525 1.00 0.00 C ATOM 54 OE1 GLN A 29 -11.177 -9.742 -5.242 1.00 0.00 O ATOM 55 NE2 GLN A 29 -12.514 -8.577 -3.864 1.00 0.00 N ATOM 0 H GLN A 29 -7.012 -8.551 -6.908 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.764 -7.468 -6.872 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.905 -9.174 -4.977 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.177 -7.713 -4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.176 -7.488 -3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.663 -6.765 -4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.636 -7.749 -3.281 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.265 -9.263 -3.940 1.00 0.00 H new ATOM 64 N GLU A 30 -8.955 -5.153 -6.433 1.00 0.00 N ATOM 65 CA GLU A 30 -8.456 -3.787 -6.422 1.00 0.00 C ATOM 66 C GLU A 30 -9.285 -2.907 -5.489 1.00 0.00 C ATOM 67 O GLU A 30 -10.514 -2.988 -5.470 1.00 0.00 O ATOM 68 CB GLU A 30 -8.461 -3.221 -7.844 1.00 0.00 C ATOM 69 CG GLU A 30 -9.834 -2.784 -8.333 1.00 0.00 C ATOM 70 CD GLU A 30 -9.893 -2.625 -9.839 1.00 0.00 C ATOM 71 OE1 GLU A 30 -9.814 -3.650 -10.548 1.00 0.00 O ATOM 72 OE2 GLU A 30 -10.016 -1.474 -10.311 1.00 0.00 O ATOM 0 H GLU A 30 -9.970 -5.232 -6.498 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.433 -3.795 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.783 -2.368 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.067 -3.975 -8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.577 -3.517 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.100 -1.838 -7.861 1.00 0.00 H new ATOM 79 N LEU A 31 -8.603 -2.069 -4.718 1.00 0.00 N ATOM 80 CA LEU A 31 -9.270 -1.173 -3.782 1.00 0.00 C ATOM 81 C LEU A 31 -9.183 0.273 -4.259 1.00 0.00 C ATOM 82 O LEU A 31 -8.101 0.771 -4.572 1.00 0.00 O ATOM 83 CB LEU A 31 -8.648 -1.302 -2.389 1.00 0.00 C ATOM 84 CG LEU A 31 -9.637 -1.196 -1.225 1.00 0.00 C ATOM 85 CD1 LEU A 31 -10.001 -2.579 -0.706 1.00 0.00 C ATOM 86 CD2 LEU A 31 -9.057 -0.341 -0.106 1.00 0.00 C ATOM 0 H LEU A 31 -7.586 -1.991 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.321 -1.457 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.136 -2.262 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.890 -0.527 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.545 -0.715 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.705 -2.484 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.459 -3.159 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.101 -3.086 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.774 -0.277 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.133 -0.793 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.848 0.660 -0.484 1.00 0.00 H new ATOM 98 N ILE A 32 -10.330 0.942 -4.310 1.00 0.00 N ATOM 99 CA ILE A 32 -10.386 2.332 -4.746 1.00 0.00 C ATOM 100 C ILE A 32 -9.816 3.260 -3.681 1.00 0.00 C ATOM 101 O ILE A 32 -10.187 3.179 -2.509 1.00 0.00 O ATOM 102 CB ILE A 32 -11.830 2.763 -5.069 1.00 0.00 C ATOM 103 CG1 ILE A 32 -12.726 2.593 -3.840 1.00 0.00 C ATOM 104 CG2 ILE A 32 -12.371 1.959 -6.243 1.00 0.00 C ATOM 105 CD1 ILE A 32 -12.927 3.871 -3.058 1.00 0.00 C ATOM 0 H ILE A 32 -11.234 0.544 -4.055 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.784 2.406 -5.652 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.826 3.817 -5.346 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.697 2.215 -4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.290 1.840 -3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.392 2.274 -6.460 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.745 2.128 -7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.364 0.898 -5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.572 3.676 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.962 4.240 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.392 4.620 -3.699 1.00 0.00 H new ATOM 117 N LEU A 33 -8.909 4.140 -4.090 1.00 0.00 N ATOM 118 CA LEU A 33 -8.285 5.079 -3.165 1.00 0.00 C ATOM 119 C LEU A 33 -8.181 6.470 -3.783 1.00 0.00 C ATOM 120 O LEU A 33 -7.759 6.624 -4.929 1.00 0.00 O ATOM 121 CB LEU A 33 -6.899 4.576 -2.763 1.00 0.00 C ATOM 122 CG LEU A 33 -6.845 3.108 -2.339 1.00 0.00 C ATOM 123 CD1 LEU A 33 -5.403 2.660 -2.159 1.00 0.00 C ATOM 124 CD2 LEU A 33 -7.641 2.890 -1.059 1.00 0.00 C ATOM 0 H LEU A 33 -8.590 4.223 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.912 5.149 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.218 4.722 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.530 5.190 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.296 2.504 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.382 1.613 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.865 2.777 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.926 3.269 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.590 1.839 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.222 3.503 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.681 3.171 -1.225 1.00 0.00 H new ATOM 136 N VAL A 34 -8.571 7.484 -3.016 1.00 0.00 N ATOM 137 CA VAL A 34 -8.523 8.860 -3.493 1.00 0.00 C ATOM 138 C VAL A 34 -8.430 9.842 -2.334 1.00 0.00 C ATOM 139 O VAL A 34 -9.284 9.863 -1.448 1.00 0.00 O ATOM 140 CB VAL A 34 -9.757 9.208 -4.348 1.00 0.00 C ATOM 141 CG1 VAL A 34 -9.612 10.594 -4.960 1.00 0.00 C ATOM 142 CG2 VAL A 34 -9.974 8.163 -5.432 1.00 0.00 C ATOM 0 H VAL A 34 -8.923 7.378 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.629 8.945 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.632 9.210 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.493 10.821 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.513 11.334 -4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.725 10.621 -5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.850 8.429 -6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.098 8.123 -6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.130 7.188 -4.971 1.00 0.00 H new ATOM 152 N LEU A 35 -7.383 10.651 -2.356 1.00 0.00 N ATOM 153 CA LEU A 35 -7.154 11.644 -1.320 1.00 0.00 C ATOM 154 C LEU A 35 -7.510 13.034 -1.823 1.00 0.00 C ATOM 155 O LEU A 35 -7.598 13.269 -3.028 1.00 0.00 O ATOM 156 CB LEU A 35 -5.691 11.599 -0.878 1.00 0.00 C ATOM 157 CG LEU A 35 -5.472 11.614 0.634 1.00 0.00 C ATOM 158 CD1 LEU A 35 -5.868 10.288 1.251 1.00 0.00 C ATOM 159 CD2 LEU A 35 -4.020 11.942 0.958 1.00 0.00 C ATOM 0 H LEU A 35 -6.672 10.638 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.793 11.416 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.231 10.700 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.169 12.451 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.107 12.390 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.703 10.324 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.922 10.094 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.264 9.490 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.881 11.949 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.369 11.189 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.770 12.923 0.554 1.00 0.00 H new ATOM 171 N LYS A 36 -7.710 13.960 -0.891 1.00 0.00 N ATOM 172 CA LYS A 36 -8.052 15.339 -1.240 1.00 0.00 C ATOM 173 C LYS A 36 -6.863 16.268 -1.024 1.00 0.00 C ATOM 174 O LYS A 36 -5.981 15.978 -0.217 1.00 0.00 O ATOM 175 CB LYS A 36 -9.247 15.811 -0.412 1.00 0.00 C ATOM 176 CG LYS A 36 -10.056 16.908 -1.086 1.00 0.00 C ATOM 177 CD LYS A 36 -11.426 16.420 -1.511 1.00 0.00 C ATOM 178 CE LYS A 36 -12.171 17.462 -2.324 1.00 0.00 C ATOM 179 NZ LYS A 36 -13.645 17.357 -2.153 1.00 0.00 N ATOM 0 H LYS A 36 -7.642 13.783 0.111 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.318 15.367 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.899 14.961 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.891 16.173 0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.166 17.750 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.515 17.275 -1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.320 15.508 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.010 16.163 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.842 18.457 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.920 17.346 -3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.114 18.087 -2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.964 16.417 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.889 17.493 -1.151 1.00 0.00 H new ATOM 193 N GLY A 37 -6.849 17.378 -1.751 1.00 0.00 N ATOM 194 CA GLY A 37 -5.761 18.339 -1.620 1.00 0.00 C ATOM 195 C GLY A 37 -5.474 19.069 -2.917 1.00 0.00 C ATOM 196 O GLY A 37 -5.968 18.683 -3.978 1.00 0.00 O ATOM 0 H GLY A 37 -7.568 17.633 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.012 19.064 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.860 17.821 -1.291 1.00 0.00 H new ATOM 200 N GLU A 38 -4.671 20.123 -2.834 1.00 0.00 N ATOM 201 CA GLU A 38 -4.317 20.908 -4.009 1.00 0.00 C ATOM 202 C GLU A 38 -2.885 20.620 -4.448 1.00 0.00 C ATOM 203 O GLU A 38 -2.638 20.265 -5.602 1.00 0.00 O ATOM 204 CB GLU A 38 -4.479 22.399 -3.716 1.00 0.00 C ATOM 205 CG GLU A 38 -4.965 23.209 -4.909 1.00 0.00 C ATOM 206 CD GLU A 38 -3.846 23.566 -5.865 1.00 0.00 C ATOM 207 OE1 GLU A 38 -3.073 24.492 -5.550 1.00 0.00 O ATOM 208 OE2 GLU A 38 -3.743 22.919 -6.929 1.00 0.00 O ATOM 0 H GLU A 38 -4.253 20.454 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.989 20.625 -4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.182 22.524 -2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.522 22.800 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.727 22.641 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.440 24.123 -4.553 1.00 0.00 H new ATOM 215 N LEU A 39 -1.946 20.765 -3.519 1.00 0.00 N ATOM 216 CA LEU A 39 -0.538 20.520 -3.808 1.00 0.00 C ATOM 217 C LEU A 39 0.054 19.528 -2.810 1.00 0.00 C ATOM 218 O LEU A 39 0.168 19.823 -1.621 1.00 0.00 O ATOM 219 CB LEU A 39 0.247 21.829 -3.778 1.00 0.00 C ATOM 220 CG LEU A 39 0.933 22.206 -5.095 1.00 0.00 C ATOM 221 CD1 LEU A 39 0.809 23.701 -5.356 1.00 0.00 C ATOM 222 CD2 LEU A 39 2.396 21.786 -5.072 1.00 0.00 C ATOM 0 H LEU A 39 -2.135 21.051 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.465 20.090 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.431 22.635 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.005 21.762 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 39 0.435 21.675 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.303 23.948 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.245 23.974 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.280 24.253 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.868 22.061 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.906 22.289 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.463 20.707 -4.934 1.00 0.00 H new ATOM 234 N ASP A 40 0.428 18.352 -3.302 1.00 0.00 N ATOM 235 CA ASP A 40 1.007 17.316 -2.453 1.00 0.00 C ATOM 236 C ASP A 40 2.396 16.923 -2.946 1.00 0.00 C ATOM 237 O ASP A 40 3.362 16.934 -2.186 1.00 0.00 O ATOM 238 CB ASP A 40 0.096 16.081 -2.419 1.00 0.00 C ATOM 239 CG ASP A 40 0.251 15.290 -1.137 1.00 0.00 C ATOM 240 OD1 ASP A 40 0.285 15.908 -0.054 1.00 0.00 O ATOM 241 OD2 ASP A 40 0.335 14.045 -1.219 1.00 0.00 O ATOM 0 H ASP A 40 0.341 18.092 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 40 1.098 17.718 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.942 16.395 -2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.325 15.439 -3.270 1.00 0.00 H new ATOM 246 N LEU A 41 2.486 16.568 -4.223 1.00 0.00 N ATOM 247 CA LEU A 41 3.754 16.162 -4.822 1.00 0.00 C ATOM 248 C LEU A 41 4.281 14.882 -4.175 1.00 0.00 C ATOM 249 O LEU A 41 4.147 13.799 -4.731 1.00 0.00 O ATOM 250 CB LEU A 41 4.785 17.284 -4.687 1.00 0.00 C ATOM 251 CG LEU A 41 4.936 18.175 -5.921 1.00 0.00 C ATOM 252 CD1 LEU A 41 3.648 18.939 -6.193 1.00 0.00 C ATOM 253 CD2 LEU A 41 6.099 19.148 -5.738 1.00 0.00 C ATOM 0 H LEU A 41 1.694 16.553 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 41 3.582 15.963 -5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.510 17.909 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.754 16.841 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 41 5.147 17.537 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.777 19.567 -7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.836 18.233 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.408 19.565 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.192 19.774 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.913 19.777 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.022 18.588 -5.591 1.00 0.00 H new ATOM 265 N HIS A 42 4.880 15.021 -2.997 1.00 0.00 N ATOM 266 CA HIS A 42 5.425 13.880 -2.276 1.00 0.00 C ATOM 267 C HIS A 42 4.305 13.022 -1.691 1.00 0.00 C ATOM 268 O HIS A 42 4.033 13.081 -0.490 1.00 0.00 O ATOM 269 CB HIS A 42 6.362 14.350 -1.161 1.00 0.00 C ATOM 270 CG HIS A 42 7.742 14.669 -1.638 1.00 0.00 C ATOM 271 ND1 HIS A 42 8.823 13.837 -1.441 1.00 0.00 N ATOM 272 CD2 HIS A 42 8.223 15.751 -2.306 1.00 0.00 C ATOM 273 CE1 HIS A 42 9.903 14.380 -1.968 1.00 0.00 C ATOM 274 NE2 HIS A 42 9.567 15.547 -2.498 1.00 0.00 N ATOM 0 H HIS A 42 5.000 15.915 -2.522 1.00 0.00 H new ATOM 0 HA HIS A 42 5.993 13.274 -2.982 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.936 15.235 -0.688 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.420 13.576 -0.396 1.00 0.00 H new ATOM 0 HD2 HIS A 42 7.654 16.611 -2.626 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.893 13.947 -1.968 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.203 16.189 -2.971 1.00 0.00 H new ATOM 283 N SER A 43 3.662 12.240 -2.544 1.00 0.00 N ATOM 284 CA SER A 43 2.570 11.371 -2.114 1.00 0.00 C ATOM 285 C SER A 43 3.043 10.388 -1.050 1.00 0.00 C ATOM 286 O SER A 43 3.810 9.471 -1.337 1.00 0.00 O ATOM 287 CB SER A 43 1.993 10.611 -3.310 1.00 0.00 C ATOM 288 OG SER A 43 2.027 11.406 -4.483 1.00 0.00 O ATOM 0 H SER A 43 3.875 12.187 -3.540 1.00 0.00 H new ATOM 0 HA SER A 43 1.790 11.997 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.561 9.695 -3.471 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.966 10.316 -3.096 1.00 0.00 H new ATOM 0 HG SER A 43 1.655 10.898 -5.234 1.00 0.00 H new ATOM 294 N LYS A 44 2.581 10.586 0.180 1.00 0.00 N ATOM 295 CA LYS A 44 2.956 9.715 1.288 1.00 0.00 C ATOM 296 C LYS A 44 2.111 8.447 1.301 1.00 0.00 C ATOM 297 O LYS A 44 2.466 7.463 1.947 1.00 0.00 O ATOM 298 CB LYS A 44 2.803 10.455 2.619 1.00 0.00 C ATOM 299 CG LYS A 44 4.073 11.163 3.072 1.00 0.00 C ATOM 300 CD LYS A 44 4.856 10.311 4.062 1.00 0.00 C ATOM 301 CE LYS A 44 6.314 10.745 4.129 1.00 0.00 C ATOM 302 NZ LYS A 44 7.136 9.791 4.925 1.00 0.00 N ATOM 0 H LYS A 44 1.946 11.342 0.435 1.00 0.00 H new ATOM 0 HA LYS A 44 3.999 9.430 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.001 11.188 2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.499 9.744 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.697 11.385 2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.816 12.117 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.404 10.390 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.799 9.263 3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.718 10.820 3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.378 11.739 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.123 10.119 4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.765 9.739 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.095 8.848 4.487 1.00 0.00 H new ATOM 316 N ASN A 45 0.989 8.473 0.583 1.00 0.00 N ATOM 317 CA ASN A 45 0.096 7.321 0.515 1.00 0.00 C ATOM 318 C ASN A 45 0.846 6.068 0.074 1.00 0.00 C ATOM 319 O ASN A 45 0.596 4.973 0.578 1.00 0.00 O ATOM 320 CB ASN A 45 -1.058 7.601 -0.449 1.00 0.00 C ATOM 321 CG ASN A 45 -1.800 8.878 -0.108 1.00 0.00 C ATOM 322 OD1 ASN A 45 -1.189 9.918 0.140 1.00 0.00 O ATOM 323 ND2 ASN A 45 -3.127 8.807 -0.093 1.00 0.00 N ATOM 0 H ASN A 45 0.678 9.279 0.041 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.304 7.148 1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.670 7.670 -1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.755 6.763 -0.430 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.680 9.635 0.130 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.593 7.925 -0.305 1.00 0.00 H new ATOM 330 N MET A 46 1.767 6.235 -0.870 1.00 0.00 N ATOM 331 CA MET A 46 2.552 5.114 -1.378 1.00 0.00 C ATOM 332 C MET A 46 3.334 4.443 -0.254 1.00 0.00 C ATOM 333 O MET A 46 3.467 3.219 -0.222 1.00 0.00 O ATOM 334 CB MET A 46 3.511 5.585 -2.474 1.00 0.00 C ATOM 335 CG MET A 46 4.224 6.888 -2.144 1.00 0.00 C ATOM 336 SD MET A 46 6.009 6.787 -2.381 1.00 0.00 S ATOM 337 CE MET A 46 6.564 6.579 -0.692 1.00 0.00 C ATOM 0 H MET A 46 1.988 7.134 -1.298 1.00 0.00 H new ATOM 0 HA MET A 46 1.862 4.385 -1.802 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.255 4.809 -2.652 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.954 5.711 -3.402 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.823 7.685 -2.771 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.014 7.160 -1.110 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.649 6.679 -0.651 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.105 7.341 -0.062 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.277 5.590 -0.334 1.00 0.00 H new ATOM 347 N LYS A 47 3.846 5.250 0.668 1.00 0.00 N ATOM 348 CA LYS A 47 4.610 4.730 1.796 1.00 0.00 C ATOM 349 C LYS A 47 3.691 4.049 2.806 1.00 0.00 C ATOM 350 O LYS A 47 4.126 3.195 3.580 1.00 0.00 O ATOM 351 CB LYS A 47 5.388 5.858 2.476 1.00 0.00 C ATOM 352 CG LYS A 47 6.329 5.375 3.569 1.00 0.00 C ATOM 353 CD LYS A 47 5.782 5.682 4.954 1.00 0.00 C ATOM 354 CE LYS A 47 6.571 4.964 6.036 1.00 0.00 C ATOM 355 NZ LYS A 47 8.030 5.248 5.942 1.00 0.00 N ATOM 0 H LYS A 47 3.746 6.265 0.657 1.00 0.00 H new ATOM 0 HA LYS A 47 5.315 3.991 1.416 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.964 6.396 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.681 6.569 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.484 4.301 3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.303 5.850 3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.817 6.757 5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.735 5.384 5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.204 5.270 7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.404 3.890 5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.503 4.928 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.430 4.744 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.178 6.271 5.824 1.00 0.00 H new ATOM 369 N ASN A 48 2.417 4.430 2.793 1.00 0.00 N ATOM 370 CA ASN A 48 1.438 3.856 3.706 1.00 0.00 C ATOM 371 C ASN A 48 1.066 2.437 3.283 1.00 0.00 C ATOM 372 O ASN A 48 0.883 1.556 4.124 1.00 0.00 O ATOM 373 CB ASN A 48 0.186 4.735 3.762 1.00 0.00 C ATOM 374 CG ASN A 48 -0.135 5.194 5.171 1.00 0.00 C ATOM 375 OD1 ASN A 48 -1.270 5.073 5.633 1.00 0.00 O ATOM 376 ND2 ASN A 48 0.866 5.725 5.863 1.00 0.00 N ATOM 0 H ASN A 48 2.040 5.134 2.159 1.00 0.00 H new ATOM 0 HA ASN A 48 1.884 3.811 4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.328 5.606 3.122 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.662 4.180 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.710 6.052 6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.791 5.806 5.441 1.00 0.00 H new ATOM 383 N VAL A 49 0.960 2.222 1.975 1.00 0.00 N ATOM 384 CA VAL A 49 0.614 0.907 1.446 1.00 0.00 C ATOM 385 C VAL A 49 1.781 -0.060 1.589 1.00 0.00 C ATOM 386 O VAL A 49 1.610 -1.188 2.049 1.00 0.00 O ATOM 387 CB VAL A 49 0.206 0.980 -0.037 1.00 0.00 C ATOM 388 CG1 VAL A 49 -0.410 -0.337 -0.487 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.757 2.137 -0.277 1.00 0.00 C ATOM 0 H VAL A 49 1.108 2.939 1.264 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.235 0.547 2.028 1.00 0.00 H new ATOM 0 HB VAL A 49 1.103 1.159 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.692 -0.267 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.315 -1.140 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.295 -0.548 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.032 2.169 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.653 1.996 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.276 3.075 0.001 1.00 0.00 H new ATOM 399 N ILE A 50 2.969 0.389 1.197 1.00 0.00 N ATOM 400 CA ILE A 50 4.163 -0.439 1.290 1.00 0.00 C ATOM 401 C ILE A 50 4.401 -0.881 2.730 1.00 0.00 C ATOM 402 O ILE A 50 4.912 -1.972 2.982 1.00 0.00 O ATOM 403 CB ILE A 50 5.409 0.309 0.765 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.600 -0.649 0.635 1.00 0.00 C ATOM 405 CG2 ILE A 50 5.750 1.488 1.667 1.00 0.00 C ATOM 406 CD1 ILE A 50 7.256 -1.010 1.953 1.00 0.00 C ATOM 0 H ILE A 50 3.129 1.320 0.813 1.00 0.00 H new ATOM 0 HA ILE A 50 3.999 -1.318 0.667 1.00 0.00 H new ATOM 0 HB ILE A 50 5.182 0.701 -0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.264 -1.564 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.347 -0.196 -0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.630 2.000 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.909 2.181 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.955 1.128 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.088 -1.690 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.626 -0.105 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.526 -1.495 2.602 1.00 0.00 H new ATOM 418 N ASN A 51 4.020 -0.024 3.673 1.00 0.00 N ATOM 419 CA ASN A 51 4.184 -0.322 5.090 1.00 0.00 C ATOM 420 C ASN A 51 3.132 -1.323 5.559 1.00 0.00 C ATOM 421 O ASN A 51 3.440 -2.270 6.281 1.00 0.00 O ATOM 422 CB ASN A 51 4.088 0.962 5.915 1.00 0.00 C ATOM 423 CG ASN A 51 4.937 0.907 7.170 1.00 0.00 C ATOM 424 OD1 ASN A 51 5.221 -0.170 7.696 1.00 0.00 O ATOM 425 ND2 ASN A 51 5.348 2.072 7.658 1.00 0.00 N ATOM 0 H ASN A 51 3.595 0.883 3.480 1.00 0.00 H new ATOM 0 HA ASN A 51 5.170 -0.765 5.233 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.402 1.808 5.304 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.048 1.137 6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.922 2.098 8.501 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.089 2.941 7.190 1.00 0.00 H new ATOM 432 N ASN A 52 1.888 -1.105 5.143 1.00 0.00 N ATOM 433 CA ASN A 52 0.790 -1.989 5.521 1.00 0.00 C ATOM 434 C ASN A 52 0.882 -3.319 4.780 1.00 0.00 C ATOM 435 O ASN A 52 0.855 -4.386 5.394 1.00 0.00 O ATOM 436 CB ASN A 52 -0.555 -1.320 5.228 1.00 0.00 C ATOM 437 CG ASN A 52 -0.964 -0.344 6.314 1.00 0.00 C ATOM 438 OD1 ASN A 52 -0.479 0.786 6.363 1.00 0.00 O ATOM 439 ND2 ASN A 52 -1.860 -0.777 7.193 1.00 0.00 N ATOM 0 H ASN A 52 1.615 -0.325 4.545 1.00 0.00 H new ATOM 0 HA ASN A 52 0.866 -2.184 6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.496 -0.795 4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.323 -2.086 5.123 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.172 -0.165 7.947 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.236 -1.722 7.115 1.00 0.00 H new ATOM 446 N ALA A 53 0.992 -3.247 3.459 1.00 0.00 N ATOM 447 CA ALA A 53 1.091 -4.444 2.632 1.00 0.00 C ATOM 448 C ALA A 53 2.275 -5.307 3.056 1.00 0.00 C ATOM 449 O ALA A 53 2.258 -6.528 2.887 1.00 0.00 O ATOM 450 CB ALA A 53 1.213 -4.060 1.164 1.00 0.00 C ATOM 0 H ALA A 53 1.015 -2.371 2.937 1.00 0.00 H new ATOM 0 HA ALA A 53 0.182 -5.029 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.286 -4.962 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.334 -3.490 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.106 -3.452 1.020 1.00 0.00 H new ATOM 456 N LYS A 54 3.300 -4.668 3.611 1.00 0.00 N ATOM 457 CA LYS A 54 4.491 -5.380 4.061 1.00 0.00 C ATOM 458 C LYS A 54 4.275 -5.974 5.448 1.00 0.00 C ATOM 459 O LYS A 54 4.604 -7.134 5.696 1.00 0.00 O ATOM 460 CB LYS A 54 5.699 -4.441 4.077 1.00 0.00 C ATOM 461 CG LYS A 54 6.999 -5.130 4.459 1.00 0.00 C ATOM 462 CD LYS A 54 8.194 -4.480 3.780 1.00 0.00 C ATOM 463 CE LYS A 54 9.208 -5.516 3.322 1.00 0.00 C ATOM 464 NZ LYS A 54 10.380 -4.887 2.654 1.00 0.00 N ATOM 0 H LYS A 54 3.330 -3.659 3.760 1.00 0.00 H new ATOM 0 HA LYS A 54 4.684 -6.194 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.812 -3.991 3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.508 -3.629 4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.128 -5.092 5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.949 -6.183 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.855 -3.898 2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.671 -3.783 4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.547 -6.096 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.729 -6.214 2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.048 -5.626 2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.060 -4.354 1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.852 -4.240 3.318 1.00 0.00 H new ATOM 478 N LYS A 55 3.716 -5.173 6.349 1.00 0.00 N ATOM 479 CA LYS A 55 3.452 -5.622 7.712 1.00 0.00 C ATOM 480 C LYS A 55 2.505 -6.817 7.712 1.00 0.00 C ATOM 481 O LYS A 55 2.631 -7.724 8.536 1.00 0.00 O ATOM 482 CB LYS A 55 2.857 -4.484 8.541 1.00 0.00 C ATOM 483 CG LYS A 55 3.355 -4.450 9.977 1.00 0.00 C ATOM 484 CD LYS A 55 2.740 -3.297 10.751 1.00 0.00 C ATOM 485 CE LYS A 55 3.519 -2.999 12.023 1.00 0.00 C ATOM 486 NZ LYS A 55 2.880 -3.602 13.216 1.00 0.00 N ATOM 0 H LYS A 55 3.437 -4.210 6.161 1.00 0.00 H new ATOM 0 HA LYS A 55 4.398 -5.928 8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.093 -3.534 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.771 -4.578 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.112 -5.391 10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.441 -4.357 9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.715 -2.407 10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.707 -3.537 11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.535 -3.380 11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.595 -1.920 12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.441 -3.376 14.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.919 -3.220 13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.831 -4.634 13.099 1.00 0.00 H new ATOM 500 N ASN A 56 1.559 -6.812 6.778 1.00 0.00 N ATOM 501 CA ASN A 56 0.592 -7.896 6.665 1.00 0.00 C ATOM 502 C ASN A 56 1.244 -9.141 6.075 1.00 0.00 C ATOM 503 O ASN A 56 1.103 -10.241 6.611 1.00 0.00 O ATOM 504 CB ASN A 56 -0.590 -7.464 5.795 1.00 0.00 C ATOM 505 CG ASN A 56 -1.406 -6.360 6.438 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.803 -6.462 7.593 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.660 -5.295 5.685 1.00 0.00 N ATOM 0 H ASN A 56 1.442 -6.069 6.089 1.00 0.00 H new ATOM 0 HA ASN A 56 0.229 -8.135 7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.221 -7.123 4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.232 -8.324 5.606 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.205 -4.521 6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.310 -5.252 4.728 1.00 0.00 H new ATOM 514 N LEU A 57 1.963 -8.959 4.970 1.00 0.00 N ATOM 515 CA LEU A 57 2.643 -10.066 4.305 1.00 0.00 C ATOM 516 C LEU A 57 3.473 -10.876 5.298 1.00 0.00 C ATOM 517 O LEU A 57 3.309 -12.091 5.420 1.00 0.00 O ATOM 518 CB LEU A 57 3.539 -9.536 3.180 1.00 0.00 C ATOM 519 CG LEU A 57 3.228 -10.082 1.788 1.00 0.00 C ATOM 520 CD1 LEU A 57 3.090 -11.594 1.834 1.00 0.00 C ATOM 521 CD2 LEU A 57 1.963 -9.443 1.235 1.00 0.00 C ATOM 0 H LEU A 57 2.089 -8.054 4.516 1.00 0.00 H new ATOM 0 HA LEU A 57 1.885 -10.723 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.457 -8.449 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.576 -9.771 3.422 1.00 0.00 H new ATOM 0 HG LEU A 57 4.055 -9.831 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.868 -11.970 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.022 -12.034 2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.280 -11.865 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.757 -9.844 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.125 -9.663 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.099 -8.364 1.169 1.00 0.00 H new ATOM 533 N GLU A 58 4.364 -10.191 6.009 1.00 0.00 N ATOM 534 CA GLU A 58 5.218 -10.845 6.992 1.00 0.00 C ATOM 535 C GLU A 58 4.385 -11.438 8.122 1.00 0.00 C ATOM 536 O GLU A 58 4.762 -12.445 8.720 1.00 0.00 O ATOM 537 CB GLU A 58 6.236 -9.852 7.556 1.00 0.00 C ATOM 538 CG GLU A 58 7.335 -9.482 6.574 1.00 0.00 C ATOM 539 CD GLU A 58 8.409 -10.547 6.473 1.00 0.00 C ATOM 540 OE1 GLU A 58 9.340 -10.532 7.306 1.00 0.00 O ATOM 541 OE2 GLU A 58 8.321 -11.396 5.561 1.00 0.00 O ATOM 0 H GLU A 58 4.512 -9.186 5.922 1.00 0.00 H new ATOM 0 HA GLU A 58 5.752 -11.655 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.715 -8.945 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.689 -10.278 8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.897 -9.318 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.790 -8.540 6.881 1.00 0.00 H new ATOM 548 N LYS A 59 3.250 -10.809 8.408 1.00 0.00 N ATOM 549 CA LYS A 59 2.363 -11.280 9.465 1.00 0.00 C ATOM 550 C LYS A 59 1.960 -12.731 9.223 1.00 0.00 C ATOM 551 O LYS A 59 1.852 -13.520 10.156 1.00 0.00 O ATOM 552 CB LYS A 59 1.118 -10.399 9.542 1.00 0.00 C ATOM 553 CG LYS A 59 0.335 -10.571 10.830 1.00 0.00 C ATOM 554 CD LYS A 59 -0.661 -9.438 11.041 1.00 0.00 C ATOM 555 CE LYS A 59 -0.127 -8.403 12.014 1.00 0.00 C ATOM 556 NZ LYS A 59 0.939 -7.561 11.411 1.00 0.00 N ATOM 0 H LYS A 59 2.923 -9.973 7.923 1.00 0.00 H new ATOM 0 HA LYS A 59 2.899 -11.222 10.412 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.415 -9.355 9.443 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.468 -10.627 8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.196 -11.523 10.808 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.025 -10.610 11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.880 -8.962 10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.600 -9.843 11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.945 -7.765 12.348 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.266 -8.906 12.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.202 -6.805 12.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.773 -8.149 11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.590 -7.139 10.527 1.00 0.00 H new ATOM 570 N TYR A 60 1.753 -13.078 7.956 1.00 0.00 N ATOM 571 CA TYR A 60 1.371 -14.437 7.590 1.00 0.00 C ATOM 572 C TYR A 60 2.586 -15.356 7.609 1.00 0.00 C ATOM 573 O TYR A 60 2.535 -16.460 8.152 1.00 0.00 O ATOM 574 CB TYR A 60 0.725 -14.462 6.202 1.00 0.00 C ATOM 575 CG TYR A 60 -0.165 -13.274 5.918 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.378 -13.115 6.576 1.00 0.00 C ATOM 577 CD2 TYR A 60 0.208 -12.312 4.987 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.194 -12.031 6.314 1.00 0.00 C ATOM 579 CE2 TYR A 60 -0.602 -11.226 4.720 1.00 0.00 C ATOM 580 CZ TYR A 60 -1.802 -11.089 5.386 1.00 0.00 C ATOM 581 OH TYR A 60 -2.613 -10.009 5.123 1.00 0.00 O ATOM 0 H TYR A 60 1.843 -12.438 7.167 1.00 0.00 H new ATOM 0 HA TYR A 60 0.646 -14.792 8.322 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.510 -14.503 5.447 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.138 -15.375 6.102 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.688 -13.850 7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.147 -12.416 4.464 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.134 -11.922 6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.297 -10.487 3.993 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.421 -10.064 5.675 1.00 0.00 H new ATOM 591 N PHE A 61 3.678 -14.891 7.012 1.00 0.00 N ATOM 592 CA PHE A 61 4.910 -15.667 6.961 1.00 0.00 C ATOM 593 C PHE A 61 5.483 -15.874 8.360 1.00 0.00 C ATOM 594 O PHE A 61 6.227 -16.821 8.603 1.00 0.00 O ATOM 595 CB PHE A 61 5.942 -14.966 6.075 1.00 0.00 C ATOM 596 CG PHE A 61 6.887 -15.911 5.390 1.00 0.00 C ATOM 597 CD1 PHE A 61 6.441 -16.747 4.379 1.00 0.00 C ATOM 598 CD2 PHE A 61 8.223 -15.963 5.758 1.00 0.00 C ATOM 599 CE1 PHE A 61 7.309 -17.617 3.747 1.00 0.00 C ATOM 600 CE2 PHE A 61 9.095 -16.832 5.130 1.00 0.00 C ATOM 601 CZ PHE A 61 8.638 -17.659 4.123 1.00 0.00 C ATOM 0 H PHE A 61 3.734 -13.980 6.557 1.00 0.00 H new ATOM 0 HA PHE A 61 4.677 -16.643 6.535 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.421 -14.377 5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.517 -14.268 6.684 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.403 -16.718 4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.586 -15.317 6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.949 -18.263 2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.133 -16.864 5.427 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.318 -18.338 3.630 1.00 0.00 H new ATOM 611 N LYS A 62 5.134 -14.981 9.277 1.00 0.00 N ATOM 612 CA LYS A 62 5.615 -15.071 10.650 1.00 0.00 C ATOM 613 C LYS A 62 4.697 -15.942 11.498 1.00 0.00 C ATOM 614 O LYS A 62 5.103 -16.444 12.543 1.00 0.00 O ATOM 615 CB LYS A 62 5.726 -13.675 11.266 1.00 0.00 C ATOM 616 CG LYS A 62 6.741 -13.587 12.394 1.00 0.00 C ATOM 617 CD LYS A 62 7.200 -12.155 12.621 1.00 0.00 C ATOM 618 CE LYS A 62 8.698 -12.081 12.871 1.00 0.00 C ATOM 619 NZ LYS A 62 9.124 -12.986 13.974 1.00 0.00 N ATOM 0 H LYS A 62 4.520 -14.187 9.096 1.00 0.00 H new ATOM 0 HA LYS A 62 6.602 -15.533 10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.999 -12.964 10.487 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.749 -13.375 11.644 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.302 -13.979 13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.602 -14.213 12.160 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.945 -11.548 11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.667 -11.732 13.472 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.232 -12.346 11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.975 -11.056 13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.054 -12.686 14.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.428 -12.944 14.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.187 -13.961 13.618 1.00 0.00 H new ATOM 633 N GLU A 63 3.456 -16.101 11.048 1.00 0.00 N ATOM 634 CA GLU A 63 2.479 -16.894 11.787 1.00 0.00 C ATOM 635 C GLU A 63 2.380 -18.324 11.259 1.00 0.00 C ATOM 636 O GLU A 63 2.291 -19.274 12.042 1.00 0.00 O ATOM 637 CB GLU A 63 1.104 -16.223 11.726 1.00 0.00 C ATOM 638 CG GLU A 63 0.653 -15.639 13.053 1.00 0.00 C ATOM 639 CD GLU A 63 -0.511 -14.679 12.902 1.00 0.00 C ATOM 640 OE1 GLU A 63 -0.355 -13.662 12.195 1.00 0.00 O ATOM 641 OE2 GLU A 63 -1.584 -14.947 13.498 1.00 0.00 O ATOM 0 H GLU A 63 3.105 -15.694 10.181 1.00 0.00 H new ATOM 0 HA GLU A 63 2.819 -16.947 12.821 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.129 -15.429 10.979 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.367 -16.953 11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.366 -16.449 13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.490 -15.119 13.520 1.00 0.00 H new ATOM 648 N HIS A 64 2.371 -18.481 9.941 1.00 0.00 N ATOM 649 CA HIS A 64 2.254 -19.810 9.341 1.00 0.00 C ATOM 650 C HIS A 64 3.458 -20.162 8.471 1.00 0.00 C ATOM 651 O HIS A 64 3.440 -21.166 7.760 1.00 0.00 O ATOM 652 CB HIS A 64 0.971 -19.906 8.515 1.00 0.00 C ATOM 653 CG HIS A 64 -0.173 -20.521 9.253 1.00 0.00 C ATOM 654 ND1 HIS A 64 -0.499 -20.182 10.546 1.00 0.00 N ATOM 655 CD2 HIS A 64 -1.070 -21.461 8.869 1.00 0.00 C ATOM 656 CE1 HIS A 64 -1.553 -20.886 10.937 1.00 0.00 C ATOM 657 NE2 HIS A 64 -1.915 -21.668 9.932 1.00 0.00 N ATOM 0 H HIS A 64 2.442 -17.715 9.271 1.00 0.00 H new ATOM 0 HA HIS A 64 2.219 -20.529 10.159 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.685 -18.907 8.187 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.170 -20.492 7.618 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.113 -21.954 7.909 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.031 -20.831 11.904 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -2.698 -22.321 9.945 1.00 0.00 H new ATOM 666 N PHE A 65 4.496 -19.345 8.531 1.00 0.00 N ATOM 667 CA PHE A 65 5.702 -19.588 7.742 1.00 0.00 C ATOM 668 C PHE A 65 5.389 -19.649 6.245 1.00 0.00 C ATOM 669 O PHE A 65 6.207 -20.120 5.456 1.00 0.00 O ATOM 670 CB PHE A 65 6.362 -20.894 8.187 1.00 0.00 C ATOM 671 CG PHE A 65 7.863 -20.857 8.129 1.00 0.00 C ATOM 672 CD1 PHE A 65 8.596 -20.307 9.168 1.00 0.00 C ATOM 673 CD2 PHE A 65 8.540 -21.376 7.036 1.00 0.00 C ATOM 674 CE1 PHE A 65 9.978 -20.273 9.118 1.00 0.00 C ATOM 675 CE2 PHE A 65 9.920 -21.345 6.981 1.00 0.00 C ATOM 676 CZ PHE A 65 10.640 -20.793 8.023 1.00 0.00 C ATOM 0 H PHE A 65 4.533 -18.509 9.114 1.00 0.00 H new ATOM 0 HA PHE A 65 6.386 -18.756 7.910 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.051 -21.120 9.207 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.002 -21.707 7.557 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.083 -19.900 10.027 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.982 -21.809 6.219 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.538 -19.841 9.934 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.436 -21.752 6.124 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.719 -20.768 7.981 1.00 0.00 H new ATOM 686 N LYS A 66 4.203 -19.166 5.862 1.00 0.00 N ATOM 687 CA LYS A 66 3.771 -19.158 4.463 1.00 0.00 C ATOM 688 C LYS A 66 2.260 -18.972 4.376 1.00 0.00 C ATOM 689 O LYS A 66 1.518 -19.446 5.236 1.00 0.00 O ATOM 690 CB LYS A 66 4.168 -20.457 3.748 1.00 0.00 C ATOM 691 CG LYS A 66 3.877 -21.713 4.554 1.00 0.00 C ATOM 692 CD LYS A 66 4.982 -22.748 4.397 1.00 0.00 C ATOM 693 CE LYS A 66 4.424 -24.106 4.002 1.00 0.00 C ATOM 694 NZ LYS A 66 5.408 -25.199 4.235 1.00 0.00 N ATOM 0 H LYS A 66 3.520 -18.772 6.509 1.00 0.00 H new ATOM 0 HA LYS A 66 4.270 -18.325 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.637 -20.515 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.233 -20.423 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.768 -21.453 5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.928 -22.141 4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.692 -22.412 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.533 -22.838 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.517 -24.306 4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.141 -24.090 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.990 -26.109 3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.264 -25.022 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.659 -25.231 5.244 1.00 0.00 H new ATOM 708 N GLU A 67 1.808 -18.279 3.335 1.00 0.00 N ATOM 709 CA GLU A 67 0.382 -18.037 3.146 1.00 0.00 C ATOM 710 C GLU A 67 0.075 -17.671 1.697 1.00 0.00 C ATOM 711 O GLU A 67 0.942 -17.185 0.971 1.00 0.00 O ATOM 712 CB GLU A 67 -0.095 -16.920 4.077 1.00 0.00 C ATOM 713 CG GLU A 67 -1.560 -17.035 4.462 1.00 0.00 C ATOM 714 CD GLU A 67 -1.754 -17.448 5.908 1.00 0.00 C ATOM 715 OE1 GLU A 67 -1.628 -16.578 6.796 1.00 0.00 O ATOM 716 OE2 GLU A 67 -2.031 -18.641 6.153 1.00 0.00 O ATOM 0 H GLU A 67 2.406 -17.877 2.613 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.150 -18.957 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.512 -16.929 4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.070 -15.958 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.052 -16.077 4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.046 -17.763 3.812 1.00 0.00 H new ATOM 723 N PHE A 68 -1.166 -17.909 1.286 1.00 0.00 N ATOM 724 CA PHE A 68 -1.593 -17.605 -0.075 1.00 0.00 C ATOM 725 C PHE A 68 -2.331 -16.270 -0.129 1.00 0.00 C ATOM 726 O PHE A 68 -3.561 -16.231 -0.127 1.00 0.00 O ATOM 727 CB PHE A 68 -2.494 -18.720 -0.609 1.00 0.00 C ATOM 728 CG PHE A 68 -1.739 -19.926 -1.088 1.00 0.00 C ATOM 729 CD1 PHE A 68 -1.020 -20.709 -0.199 1.00 0.00 C ATOM 730 CD2 PHE A 68 -1.748 -20.276 -2.429 1.00 0.00 C ATOM 731 CE1 PHE A 68 -0.324 -21.819 -0.638 1.00 0.00 C ATOM 732 CE2 PHE A 68 -1.053 -21.386 -2.874 1.00 0.00 C ATOM 733 CZ PHE A 68 -0.340 -22.157 -1.977 1.00 0.00 C ATOM 0 H PHE A 68 -1.894 -18.312 1.876 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.704 -17.533 -0.701 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.186 -19.024 0.176 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.095 -18.328 -1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.003 -20.449 0.849 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.304 -19.676 -3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.232 -22.422 0.065 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.068 -21.649 -3.921 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.205 -23.023 -2.322 1.00 0.00 H new ATOM 743 N ASP A 69 -1.572 -15.181 -0.177 1.00 0.00 N ATOM 744 CA ASP A 69 -2.157 -13.845 -0.231 1.00 0.00 C ATOM 745 C ASP A 69 -1.092 -12.794 -0.530 1.00 0.00 C ATOM 746 O ASP A 69 -0.156 -12.605 0.247 1.00 0.00 O ATOM 747 CB ASP A 69 -2.855 -13.517 1.090 1.00 0.00 C ATOM 748 CG ASP A 69 -2.009 -13.869 2.299 1.00 0.00 C ATOM 749 OD1 ASP A 69 -0.795 -14.109 2.125 1.00 0.00 O ATOM 750 OD2 ASP A 69 -2.560 -13.905 3.419 1.00 0.00 O ATOM 0 H ASP A 69 -0.552 -15.196 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.891 -13.831 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.095 -12.454 1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.800 -14.058 1.142 1.00 0.00 H new ATOM 755 N LYS A 70 -1.243 -12.113 -1.661 1.00 0.00 N ATOM 756 CA LYS A 70 -0.297 -11.079 -2.064 1.00 0.00 C ATOM 757 C LYS A 70 -1.005 -9.740 -2.242 1.00 0.00 C ATOM 758 O LYS A 70 -2.210 -9.692 -2.491 1.00 0.00 O ATOM 759 CB LYS A 70 0.402 -11.474 -3.366 1.00 0.00 C ATOM 760 CG LYS A 70 0.898 -12.912 -3.383 1.00 0.00 C ATOM 761 CD LYS A 70 0.742 -13.537 -4.760 1.00 0.00 C ATOM 762 CE LYS A 70 1.065 -15.022 -4.736 1.00 0.00 C ATOM 763 NZ LYS A 70 1.187 -15.586 -6.109 1.00 0.00 N ATOM 0 H LYS A 70 -2.012 -12.259 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 70 0.450 -10.977 -1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.288 -11.327 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.247 -10.806 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.946 -12.940 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.343 -13.498 -2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.279 -13.391 -5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.400 -13.032 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.997 -15.182 -4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.284 -15.555 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.408 -16.601 -6.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.290 -15.456 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.949 -15.096 -6.619 1.00 0.00 H new ATOM 777 N ILE A 71 -0.253 -8.653 -2.113 1.00 0.00 N ATOM 778 CA ILE A 71 -0.820 -7.319 -2.262 1.00 0.00 C ATOM 779 C ILE A 71 0.070 -6.427 -3.113 1.00 0.00 C ATOM 780 O ILE A 71 1.297 -6.495 -3.039 1.00 0.00 O ATOM 781 CB ILE A 71 -1.055 -6.649 -0.899 1.00 0.00 C ATOM 782 CG1 ILE A 71 -1.852 -7.583 0.009 1.00 0.00 C ATOM 783 CG2 ILE A 71 -1.784 -5.325 -1.077 1.00 0.00 C ATOM 784 CD1 ILE A 71 -1.024 -8.208 1.110 1.00 0.00 C ATOM 0 H ILE A 71 0.746 -8.669 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.780 -7.444 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.090 -6.447 -0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.675 -7.026 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.294 -8.375 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.943 -4.863 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.185 -4.661 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.747 -5.501 -1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.655 -8.859 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.216 -8.793 0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.603 -7.423 1.739 1.00 0.00 H new ATOM 796 N SER A 72 -0.565 -5.594 -3.925 1.00 0.00 N ATOM 797 CA SER A 72 0.150 -4.681 -4.803 1.00 0.00 C ATOM 798 C SER A 72 -0.516 -3.309 -4.816 1.00 0.00 C ATOM 799 O SER A 72 -1.732 -3.196 -4.666 1.00 0.00 O ATOM 800 CB SER A 72 0.202 -5.256 -6.217 1.00 0.00 C ATOM 801 OG SER A 72 1.479 -5.064 -6.801 1.00 0.00 O ATOM 0 H SER A 72 -1.581 -5.532 -3.993 1.00 0.00 H new ATOM 0 HA SER A 72 1.166 -4.562 -4.427 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.032 -6.320 -6.189 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.559 -4.779 -6.835 1.00 0.00 H new ATOM 0 HG SER A 72 1.486 -5.443 -7.705 1.00 0.00 H new ATOM 807 N TYR A 73 0.289 -2.267 -4.993 1.00 0.00 N ATOM 808 CA TYR A 73 -0.223 -0.904 -5.023 1.00 0.00 C ATOM 809 C TYR A 73 0.459 -0.087 -6.116 1.00 0.00 C ATOM 810 O TYR A 73 1.603 -0.354 -6.482 1.00 0.00 O ATOM 811 CB TYR A 73 -0.023 -0.242 -3.660 1.00 0.00 C ATOM 812 CG TYR A 73 1.422 0.069 -3.335 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.307 -0.940 -2.978 1.00 0.00 C ATOM 814 CD2 TYR A 73 1.899 1.374 -3.385 1.00 0.00 C ATOM 815 CE1 TYR A 73 3.627 -0.660 -2.680 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.219 1.662 -3.089 1.00 0.00 C ATOM 817 CZ TYR A 73 4.078 0.643 -2.738 1.00 0.00 C ATOM 818 OH TYR A 73 5.392 0.926 -2.442 1.00 0.00 O ATOM 0 H TYR A 73 1.299 -2.341 -5.118 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.289 -0.942 -5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.599 0.683 -3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.426 -0.896 -2.887 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.958 -1.961 -2.933 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.229 2.175 -3.659 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.302 -1.456 -2.403 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.575 2.681 -3.133 1.00 0.00 H new ATOM 0 HH TYR A 73 5.547 1.890 -2.531 1.00 0.00 H new ATOM 828 N ASP A 74 -0.252 0.911 -6.634 1.00 0.00 N ATOM 829 CA ASP A 74 0.287 1.766 -7.687 1.00 0.00 C ATOM 830 C ASP A 74 -0.437 3.109 -7.724 1.00 0.00 C ATOM 831 O ASP A 74 -1.543 3.244 -7.201 1.00 0.00 O ATOM 832 CB ASP A 74 0.171 1.070 -9.044 1.00 0.00 C ATOM 833 CG ASP A 74 1.442 1.185 -9.864 1.00 0.00 C ATOM 834 OD1 ASP A 74 2.533 0.943 -9.304 1.00 0.00 O ATOM 835 OD2 ASP A 74 1.346 1.515 -11.065 1.00 0.00 O ATOM 0 H ASP A 74 -1.201 1.147 -6.342 1.00 0.00 H new ATOM 0 HA ASP A 74 1.339 1.950 -7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.065 0.017 -8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.659 1.504 -9.602 1.00 0.00 H new ATOM 840 N ILE A 75 0.196 4.098 -8.347 1.00 0.00 N ATOM 841 CA ILE A 75 -0.386 5.430 -8.457 1.00 0.00 C ATOM 842 C ILE A 75 -0.320 5.941 -9.893 1.00 0.00 C ATOM 843 O ILE A 75 0.563 5.554 -10.659 1.00 0.00 O ATOM 844 CB ILE A 75 0.330 6.433 -7.527 1.00 0.00 C ATOM 845 CG1 ILE A 75 -0.359 7.799 -7.582 1.00 0.00 C ATOM 846 CG2 ILE A 75 1.797 6.558 -7.908 1.00 0.00 C ATOM 847 CD1 ILE A 75 0.037 8.720 -6.450 1.00 0.00 C ATOM 0 H ILE A 75 1.113 4.001 -8.784 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.430 5.348 -8.154 1.00 0.00 H new ATOM 0 HB ILE A 75 0.272 6.059 -6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.121 8.279 -8.531 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.439 7.654 -7.561 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.286 7.269 -7.242 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.280 5.585 -7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.877 6.910 -8.937 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.489 9.669 -6.552 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.226 8.260 -5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.112 8.896 -6.483 1.00 0.00 H new ATOM 859 N SER A 76 -1.259 6.811 -10.253 1.00 0.00 N ATOM 860 CA SER A 76 -1.304 7.371 -11.598 1.00 0.00 C ATOM 861 C SER A 76 -2.205 8.602 -11.648 1.00 0.00 C ATOM 862 O SER A 76 -2.670 9.086 -10.616 1.00 0.00 O ATOM 863 CB SER A 76 -1.800 6.319 -12.593 1.00 0.00 C ATOM 864 OG SER A 76 -0.723 5.770 -13.333 1.00 0.00 O ATOM 0 H SER A 76 -1.998 7.143 -9.633 1.00 0.00 H new ATOM 0 HA SER A 76 -0.294 7.674 -11.872 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.320 5.525 -12.058 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.521 6.770 -13.275 1.00 0.00 H new ATOM 0 HG SER A 76 0.008 5.537 -12.723 1.00 0.00 H new ATOM 870 N THR A 77 -2.446 9.102 -12.856 1.00 0.00 N ATOM 871 CA THR A 77 -3.290 10.278 -13.047 1.00 0.00 C ATOM 872 C THR A 77 -2.652 11.515 -12.417 1.00 0.00 C ATOM 873 O THR A 77 -2.097 11.444 -11.320 1.00 0.00 O ATOM 874 CB THR A 77 -4.678 10.042 -12.446 1.00 0.00 C ATOM 875 OG1 THR A 77 -5.066 8.688 -12.595 1.00 0.00 O ATOM 876 CG2 THR A 77 -5.755 10.901 -13.073 1.00 0.00 C ATOM 0 H THR A 77 -2.068 8.711 -13.719 1.00 0.00 H new ATOM 0 HA THR A 77 -3.392 10.450 -14.119 1.00 0.00 H new ATOM 0 HB THR A 77 -4.587 10.312 -11.394 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.955 8.557 -12.203 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.714 10.684 -12.602 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.510 11.953 -12.930 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.818 10.685 -14.139 1.00 0.00 H new ATOM 884 N PRO A 78 -2.724 12.670 -13.102 1.00 0.00 N ATOM 885 CA PRO A 78 -2.152 13.914 -12.601 1.00 0.00 C ATOM 886 C PRO A 78 -2.991 14.547 -11.493 1.00 0.00 C ATOM 887 O PRO A 78 -2.577 15.525 -10.871 1.00 0.00 O ATOM 888 CB PRO A 78 -2.139 14.810 -13.837 1.00 0.00 C ATOM 889 CG PRO A 78 -3.275 14.331 -14.664 1.00 0.00 C ATOM 890 CD PRO A 78 -3.368 12.848 -14.420 1.00 0.00 C ATOM 0 HA PRO A 78 -1.171 13.758 -12.151 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.261 15.859 -13.567 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.195 14.727 -14.376 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -4.201 14.832 -14.382 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.106 14.543 -15.720 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.404 12.508 -14.409 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.855 12.281 -15.197 1.00 0.00 H new ATOM 898 N ILE A 79 -4.173 13.986 -11.249 1.00 0.00 N ATOM 899 CA ILE A 79 -5.065 14.500 -10.216 1.00 0.00 C ATOM 900 C ILE A 79 -4.913 13.717 -8.915 1.00 0.00 C ATOM 901 O ILE A 79 -5.857 13.597 -8.136 1.00 0.00 O ATOM 902 CB ILE A 79 -6.538 14.452 -10.665 1.00 0.00 C ATOM 903 CG1 ILE A 79 -6.688 15.024 -12.079 1.00 0.00 C ATOM 904 CG2 ILE A 79 -7.422 15.214 -9.684 1.00 0.00 C ATOM 905 CD1 ILE A 79 -7.530 14.162 -12.988 1.00 0.00 C ATOM 0 H ILE A 79 -4.534 13.176 -11.753 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.781 15.539 -10.046 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.859 13.410 -10.679 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.134 16.017 -12.016 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.699 15.146 -12.520 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.459 15.169 -10.018 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.339 14.764 -8.695 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.101 16.255 -9.637 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.595 14.626 -13.972 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.073 13.177 -13.081 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.531 14.060 -12.569 1.00 0.00 H new ATOM 917 N ASN A 80 -3.715 13.184 -8.688 1.00 0.00 N ATOM 918 CA ASN A 80 -3.433 12.415 -7.480 1.00 0.00 C ATOM 919 C ASN A 80 -4.440 11.285 -7.301 1.00 0.00 C ATOM 920 O ASN A 80 -5.245 11.295 -6.369 1.00 0.00 O ATOM 921 CB ASN A 80 -3.445 13.334 -6.254 1.00 0.00 C ATOM 922 CG ASN A 80 -2.049 13.633 -5.746 1.00 0.00 C ATOM 923 OD1 ASN A 80 -1.537 12.944 -4.862 1.00 0.00 O ATOM 924 ND2 ASN A 80 -1.425 14.669 -6.303 1.00 0.00 N ATOM 0 H ASN A 80 -2.924 13.271 -9.326 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.442 11.972 -7.583 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.945 14.269 -6.508 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.027 12.868 -5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.484 14.920 -6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -1.888 15.211 -7.032 1.00 0.00 H new ATOM 931 N PHE A 81 -4.386 10.308 -8.199 1.00 0.00 N ATOM 932 CA PHE A 81 -5.290 9.164 -8.140 1.00 0.00 C ATOM 933 C PHE A 81 -4.565 7.931 -7.611 1.00 0.00 C ATOM 934 O PHE A 81 -3.582 7.478 -8.198 1.00 0.00 O ATOM 935 CB PHE A 81 -5.871 8.875 -9.525 1.00 0.00 C ATOM 936 CG PHE A 81 -7.177 8.133 -9.486 1.00 0.00 C ATOM 937 CD1 PHE A 81 -8.365 8.807 -9.257 1.00 0.00 C ATOM 938 CD2 PHE A 81 -7.215 6.761 -9.677 1.00 0.00 C ATOM 939 CE1 PHE A 81 -9.568 8.127 -9.221 1.00 0.00 C ATOM 940 CE2 PHE A 81 -8.415 6.075 -9.642 1.00 0.00 C ATOM 941 CZ PHE A 81 -9.592 6.759 -9.414 1.00 0.00 C ATOM 0 H PHE A 81 -3.726 10.285 -8.977 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.104 9.407 -7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.014 9.817 -10.054 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.149 8.294 -10.099 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.351 9.876 -9.105 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.297 6.221 -9.855 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.488 8.664 -9.042 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.431 5.006 -9.793 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.531 6.226 -9.386 1.00 0.00 H new ATOM 951 N LEU A 82 -5.050 7.395 -6.495 1.00 0.00 N ATOM 952 CA LEU A 82 -4.441 6.220 -5.888 1.00 0.00 C ATOM 953 C LEU A 82 -5.245 4.962 -6.198 1.00 0.00 C ATOM 954 O LEU A 82 -6.408 4.844 -5.815 1.00 0.00 O ATOM 955 CB LEU A 82 -4.325 6.412 -4.374 1.00 0.00 C ATOM 956 CG LEU A 82 -3.394 5.428 -3.666 1.00 0.00 C ATOM 957 CD1 LEU A 82 -1.968 5.585 -4.174 1.00 0.00 C ATOM 958 CD2 LEU A 82 -3.454 5.629 -2.159 1.00 0.00 C ATOM 0 H LEU A 82 -5.862 7.756 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.444 6.097 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.975 7.425 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.319 6.328 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.727 4.414 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.318 4.877 -3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.940 5.390 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.623 6.601 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.785 4.920 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.146 6.646 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.474 5.465 -1.810 1.00 0.00 H new ATOM 970 N CYS A 83 -4.619 4.021 -6.895 1.00 0.00 N ATOM 971 CA CYS A 83 -5.278 2.772 -7.255 1.00 0.00 C ATOM 972 C CYS A 83 -4.506 1.576 -6.707 1.00 0.00 C ATOM 973 O CYS A 83 -3.406 1.271 -7.169 1.00 0.00 O ATOM 974 CB CYS A 83 -5.410 2.659 -8.777 1.00 0.00 C ATOM 975 SG CYS A 83 -7.117 2.708 -9.374 1.00 0.00 S ATOM 0 H CYS A 83 -3.656 4.099 -7.222 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.274 2.773 -6.813 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.850 3.471 -9.241 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.949 1.727 -9.103 1.00 0.00 H new ATOM 0 HG CYS A 83 -7.126 2.608 -10.670 1.00 0.00 H new ATOM 981 N ILE A 84 -5.087 0.902 -5.720 1.00 0.00 N ATOM 982 CA ILE A 84 -4.446 -0.257 -5.115 1.00 0.00 C ATOM 983 C ILE A 84 -4.892 -1.546 -5.801 1.00 0.00 C ATOM 984 O ILE A 84 -6.073 -1.735 -6.090 1.00 0.00 O ATOM 985 CB ILE A 84 -4.730 -0.333 -3.591 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.475 0.087 -2.809 1.00 0.00 C ATOM 987 CG2 ILE A 84 -5.189 -1.732 -3.176 1.00 0.00 C ATOM 988 CD1 ILE A 84 -3.347 -0.553 -1.442 1.00 0.00 C ATOM 0 H ILE A 84 -5.997 1.138 -5.324 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.371 -0.143 -5.253 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.542 0.355 -3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.593 -0.164 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.481 1.171 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.379 -1.749 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.104 -1.988 -3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.412 -2.457 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.435 -0.202 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.208 -0.281 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.306 -1.637 -1.550 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.934 -2.432 -6.050 1.00 0.00 N ATOM 1001 CA PHE A 85 -4.216 -3.709 -6.692 1.00 0.00 C ATOM 1002 C PHE A 85 -3.701 -4.858 -5.835 1.00 0.00 C ATOM 1003 O PHE A 85 -2.522 -5.204 -5.889 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.573 -3.761 -8.080 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.294 -2.935 -9.105 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.573 -3.274 -9.515 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -3.692 -1.817 -9.662 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.239 -2.515 -10.458 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -4.352 -1.054 -10.606 1.00 0.00 C ATOM 1010 CZ PHE A 85 -5.627 -1.404 -11.005 1.00 0.00 C ATOM 0 H PHE A 85 -2.952 -2.288 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.296 -3.809 -6.801 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.542 -3.416 -8.007 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.540 -4.797 -8.418 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.056 -4.143 -9.092 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.695 -1.539 -9.354 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.237 -2.790 -10.767 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.872 -0.185 -11.031 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.145 -0.810 -11.744 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.591 -5.439 -5.036 1.00 0.00 N ATOM 1021 CA ILE A 86 -4.225 -6.545 -4.158 1.00 0.00 C ATOM 1022 C ILE A 86 -4.556 -7.896 -4.799 1.00 0.00 C ATOM 1023 O ILE A 86 -5.723 -8.283 -4.879 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.949 -6.432 -2.798 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -4.630 -7.642 -1.913 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -6.450 -6.295 -3.003 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -4.964 -7.429 -0.453 1.00 0.00 C ATOM 0 H ILE A 86 -5.571 -5.162 -4.979 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.149 -6.487 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.590 -5.537 -2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.182 -8.507 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.570 -7.879 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.944 -6.217 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.657 -5.400 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.826 -7.170 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.712 -8.326 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.392 -6.585 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.029 -7.222 -0.350 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.531 -8.635 -5.271 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.724 -9.941 -5.907 1.00 0.00 C ATOM 1041 C PRO A 87 -4.046 -11.034 -4.892 1.00 0.00 C ATOM 1042 O PRO A 87 -3.253 -11.310 -3.993 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.373 -10.228 -6.587 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.564 -8.979 -6.438 1.00 0.00 C ATOM 1045 CD PRO A 87 -2.112 -8.266 -5.237 1.00 0.00 C ATOM 0 HA PRO A 87 -4.565 -9.929 -6.600 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.872 -11.075 -6.119 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.511 -10.481 -7.638 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.508 -9.213 -6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.642 -8.356 -7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.629 -8.592 -4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.971 -7.187 -5.306 1.00 0.00 H new ATOM 1053 N THR A 88 -5.211 -11.653 -5.040 1.00 0.00 N ATOM 1054 CA THR A 88 -5.628 -12.713 -4.130 1.00 0.00 C ATOM 1055 C THR A 88 -6.666 -13.622 -4.783 1.00 0.00 C ATOM 1056 O THR A 88 -7.637 -13.151 -5.376 1.00 0.00 O ATOM 1057 CB THR A 88 -6.192 -12.110 -2.840 1.00 0.00 C ATOM 1058 OG1 THR A 88 -6.428 -13.120 -1.876 1.00 0.00 O ATOM 1059 CG2 THR A 88 -7.489 -11.358 -3.045 1.00 0.00 C ATOM 0 H THR A 88 -5.882 -11.440 -5.779 1.00 0.00 H new ATOM 0 HA THR A 88 -4.753 -13.316 -3.889 1.00 0.00 H new ATOM 0 HB THR A 88 -5.435 -11.405 -2.497 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.786 -12.715 -1.059 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.832 -10.957 -2.091 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.328 -10.539 -3.746 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.243 -12.035 -3.446 1.00 0.00 H new ATOM 1067 N LEU A 89 -6.451 -14.929 -4.672 1.00 0.00 N ATOM 1068 CA LEU A 89 -7.365 -15.908 -5.251 1.00 0.00 C ATOM 1069 C LEU A 89 -8.417 -16.353 -4.235 1.00 0.00 C ATOM 1070 O LEU A 89 -9.424 -16.961 -4.601 1.00 0.00 O ATOM 1071 CB LEU A 89 -6.584 -17.123 -5.759 1.00 0.00 C ATOM 1072 CG LEU A 89 -6.251 -17.100 -7.252 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -4.982 -16.300 -7.504 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -6.106 -18.517 -7.787 1.00 0.00 C ATOM 0 H LEU A 89 -5.651 -15.335 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.879 -15.434 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.654 -17.199 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.161 -18.022 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.072 -16.615 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.761 -16.295 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.123 -15.276 -7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.152 -16.755 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.869 -18.482 -8.850 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.304 -19.027 -7.253 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.041 -19.058 -7.641 1.00 0.00 H new ATOM 1086 N PHE A 90 -8.178 -16.051 -2.962 1.00 0.00 N ATOM 1087 CA PHE A 90 -9.104 -16.423 -1.898 1.00 0.00 C ATOM 1088 C PHE A 90 -9.213 -17.937 -1.777 1.00 0.00 C ATOM 1089 O PHE A 90 -9.368 -18.646 -2.771 1.00 0.00 O ATOM 1090 CB PHE A 90 -10.485 -15.812 -2.147 1.00 0.00 C ATOM 1091 CG PHE A 90 -11.531 -16.261 -1.164 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -11.419 -15.944 0.181 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -12.625 -17.000 -1.584 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -12.378 -16.356 1.087 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -13.587 -17.415 -0.683 1.00 0.00 C ATOM 1096 CZ PHE A 90 -13.462 -17.092 0.652 1.00 0.00 C ATOM 0 H PHE A 90 -7.350 -15.549 -2.642 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.712 -16.030 -0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -10.404 -14.726 -2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -10.811 -16.071 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.572 -15.368 0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.727 -17.255 -2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -12.280 -16.103 2.132 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -14.435 -17.991 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 90 -14.213 -17.415 1.358 1.00 0.00 H new ATOM 1106 N ASP A 91 -9.130 -18.421 -0.544 1.00 0.00 N ATOM 1107 CA ASP A 91 -9.217 -19.851 -0.267 1.00 0.00 C ATOM 1108 C ASP A 91 -9.036 -20.117 1.222 1.00 0.00 C ATOM 1109 O ASP A 91 -9.878 -20.753 1.858 1.00 0.00 O ATOM 1110 CB ASP A 91 -8.160 -20.619 -1.065 1.00 0.00 C ATOM 1111 CG ASP A 91 -8.690 -21.927 -1.616 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -9.070 -22.800 -0.808 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -8.723 -22.081 -2.854 1.00 0.00 O ATOM 0 H ASP A 91 -9.002 -17.841 0.285 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.205 -20.197 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.807 -19.997 -1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.300 -20.819 -0.426 1.00 0.00 H new ATOM 1118 N MET A 92 -7.934 -19.622 1.772 1.00 0.00 N ATOM 1119 CA MET A 92 -7.638 -19.797 3.189 1.00 0.00 C ATOM 1120 C MET A 92 -7.357 -18.452 3.848 1.00 0.00 C ATOM 1121 O MET A 92 -6.207 -18.036 3.975 1.00 0.00 O ATOM 1122 CB MET A 92 -6.440 -20.731 3.371 1.00 0.00 C ATOM 1123 CG MET A 92 -6.462 -21.502 4.677 1.00 0.00 C ATOM 1124 SD MET A 92 -4.815 -21.747 5.367 1.00 0.00 S ATOM 1125 CE MET A 92 -4.490 -20.122 6.048 1.00 0.00 C ATOM 0 H MET A 92 -7.229 -19.095 1.257 1.00 0.00 H new ATOM 0 HA MET A 92 -8.509 -20.244 3.668 1.00 0.00 H new ATOM 0 HB2 MET A 92 -6.412 -21.438 2.542 1.00 0.00 H new ATOM 0 HB3 MET A 92 -5.522 -20.145 3.321 1.00 0.00 H new ATOM 0 HG2 MET A 92 -7.078 -20.967 5.400 1.00 0.00 H new ATOM 0 HG3 MET A 92 -6.931 -22.472 4.514 1.00 0.00 H new ATOM 0 HE1 MET A 92 -3.740 -20.201 6.835 1.00 0.00 H new ATOM 0 HE2 MET A 92 -4.122 -19.464 5.260 1.00 0.00 H new ATOM 0 HE3 MET A 92 -5.410 -19.711 6.463 1.00 0.00 H new ATOM 1135 N ASN A 93 -8.423 -17.778 4.266 1.00 0.00 N ATOM 1136 CA ASN A 93 -8.302 -16.476 4.911 1.00 0.00 C ATOM 1137 C ASN A 93 -9.668 -15.976 5.378 1.00 0.00 C ATOM 1138 O ASN A 93 -9.784 -15.349 6.429 1.00 0.00 O ATOM 1139 CB ASN A 93 -7.674 -15.462 3.953 1.00 0.00 C ATOM 1140 CG ASN A 93 -6.182 -15.311 4.170 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -5.736 -14.897 5.242 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -5.400 -15.646 3.151 1.00 0.00 N ATOM 0 H ASN A 93 -9.382 -18.113 4.169 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.655 -16.587 5.782 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.859 -15.774 2.925 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.158 -14.494 4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.387 -15.565 3.238 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.812 -15.984 2.281 1.00 0.00 H new ATOM 1149 N ASN A 94 -10.698 -16.260 4.585 1.00 0.00 N ATOM 1150 CA ASN A 94 -12.057 -15.841 4.915 1.00 0.00 C ATOM 1151 C ASN A 94 -12.180 -14.320 4.879 1.00 0.00 C ATOM 1152 O ASN A 94 -12.862 -13.724 5.715 1.00 0.00 O ATOM 1153 CB ASN A 94 -12.457 -16.368 6.289 1.00 0.00 C ATOM 1154 CG ASN A 94 -13.943 -16.217 6.561 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -14.349 -15.629 7.564 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -14.762 -16.749 5.658 1.00 0.00 N ATOM 0 H ASN A 94 -10.617 -16.778 3.710 1.00 0.00 H new ATOM 0 HA ASN A 94 -12.732 -16.259 4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.182 -17.420 6.365 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.895 -15.836 7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -15.772 -16.679 5.781 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -14.380 -17.227 4.842 1.00 0.00 H new ATOM 1163 N MET A 95 -11.521 -13.698 3.909 1.00 0.00 N ATOM 1164 CA MET A 95 -11.555 -12.247 3.761 1.00 0.00 C ATOM 1165 C MET A 95 -11.025 -11.559 5.018 1.00 0.00 C ATOM 1166 O MET A 95 -11.727 -11.444 6.021 1.00 0.00 O ATOM 1167 CB MET A 95 -12.984 -11.779 3.476 1.00 0.00 C ATOM 1168 CG MET A 95 -13.391 -11.909 2.022 1.00 0.00 C ATOM 1169 SD MET A 95 -14.835 -10.911 1.609 1.00 0.00 S ATOM 1170 CE MET A 95 -15.828 -12.106 0.718 1.00 0.00 C ATOM 0 H MET A 95 -10.954 -14.178 3.210 1.00 0.00 H new ATOM 0 HA MET A 95 -10.914 -11.976 2.922 1.00 0.00 H new ATOM 0 HB2 MET A 95 -13.675 -12.357 4.090 1.00 0.00 H new ATOM 0 HB3 MET A 95 -13.083 -10.737 3.780 1.00 0.00 H new ATOM 0 HG2 MET A 95 -12.556 -11.612 1.388 1.00 0.00 H new ATOM 0 HG3 MET A 95 -13.603 -12.955 1.801 1.00 0.00 H new ATOM 0 HE1 MET A 95 -16.758 -11.638 0.396 1.00 0.00 H new ATOM 0 HE2 MET A 95 -15.278 -12.458 -0.154 1.00 0.00 H new ATOM 0 HE3 MET A 95 -16.053 -12.950 1.370 1.00 0.00 H new ATOM 1180 N ASP A 96 -9.778 -11.103 4.950 1.00 0.00 N ATOM 1181 CA ASP A 96 -9.151 -10.425 6.079 1.00 0.00 C ATOM 1182 C ASP A 96 -7.889 -9.685 5.628 1.00 0.00 C ATOM 1183 O ASP A 96 -6.789 -9.984 6.091 1.00 0.00 O ATOM 1184 CB ASP A 96 -8.809 -11.431 7.181 1.00 0.00 C ATOM 1185 CG ASP A 96 -7.798 -12.466 6.724 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -8.211 -13.454 6.082 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -6.594 -12.290 7.011 1.00 0.00 O ATOM 0 H ASP A 96 -9.183 -11.191 4.126 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.857 -9.696 6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.414 -10.898 8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.720 -11.935 7.505 1.00 0.00 H new ATOM 1192 N LEU A 97 -8.068 -8.718 4.741 1.00 0.00 N ATOM 1193 CA LEU A 97 -6.947 -7.935 4.234 1.00 0.00 C ATOM 1194 C LEU A 97 -7.417 -6.581 3.714 1.00 0.00 C ATOM 1195 O LEU A 97 -6.809 -5.549 4.000 1.00 0.00 O ATOM 1196 CB LEU A 97 -6.227 -8.703 3.121 1.00 0.00 C ATOM 1197 CG LEU A 97 -4.700 -8.661 3.188 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -4.096 -9.643 2.196 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -4.194 -7.250 2.923 1.00 0.00 C ATOM 0 H LEU A 97 -8.976 -8.456 4.357 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.253 -7.763 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.548 -9.744 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.544 -8.301 2.159 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.390 -8.954 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.009 -9.600 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.433 -10.652 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.413 -9.382 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.105 -7.238 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.514 -6.929 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.600 -6.571 3.673 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.505 -6.590 2.948 1.00 0.00 N ATOM 1212 CA LEU A 98 -9.058 -5.362 2.387 1.00 0.00 C ATOM 1213 C LEU A 98 -9.366 -4.352 3.479 1.00 0.00 C ATOM 1214 O LEU A 98 -9.257 -3.143 3.274 1.00 0.00 O ATOM 1215 CB LEU A 98 -10.326 -5.669 1.587 1.00 0.00 C ATOM 1216 CG LEU A 98 -10.091 -6.346 0.235 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -10.325 -7.845 0.340 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -10.991 -5.738 -0.831 1.00 0.00 C ATOM 0 H LEU A 98 -9.021 -7.435 2.702 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.311 -4.930 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.971 -6.309 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.867 -4.737 1.420 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.054 -6.180 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.153 -8.309 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.638 -8.270 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.352 -8.032 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.810 -6.232 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.034 -5.872 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.774 -4.674 -0.926 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.757 -4.856 4.649 1.00 0.00 N ATOM 1231 CA LYS A 99 -10.088 -3.998 5.784 1.00 0.00 C ATOM 1232 C LYS A 99 -8.903 -3.116 6.167 1.00 0.00 C ATOM 1233 O LYS A 99 -9.081 -2.002 6.662 1.00 0.00 O ATOM 1234 CB LYS A 99 -10.515 -4.846 6.985 1.00 0.00 C ATOM 1235 CG LYS A 99 -11.690 -5.764 6.690 1.00 0.00 C ATOM 1236 CD LYS A 99 -12.997 -5.174 7.194 1.00 0.00 C ATOM 1237 CE LYS A 99 -13.982 -6.261 7.584 1.00 0.00 C ATOM 1238 NZ LYS A 99 -15.358 -5.968 7.095 1.00 0.00 N ATOM 0 H LYS A 99 -9.852 -5.854 4.835 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.916 -3.354 5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.668 -5.447 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.778 -4.186 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.758 -5.937 5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.522 -6.734 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.801 -4.533 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.436 -4.544 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.648 -7.216 7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.997 -6.364 8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.999 -6.735 7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.687 -5.070 7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.349 -5.895 6.058 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.691 -3.615 5.922 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.485 -2.867 6.245 1.00 0.00 C ATOM 1254 C GLN A 100 -6.262 -1.766 5.217 1.00 0.00 C ATOM 1255 O GLN A 100 -6.219 -0.584 5.556 1.00 0.00 O ATOM 1256 CB GLN A 100 -5.274 -3.800 6.284 1.00 0.00 C ATOM 1257 CG GLN A 100 -5.472 -5.017 7.172 1.00 0.00 C ATOM 1258 CD GLN A 100 -5.568 -4.655 8.640 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -4.557 -4.500 9.326 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -6.794 -4.520 9.139 1.00 0.00 N ATOM 0 H GLN A 100 -7.523 -4.530 5.503 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.609 -2.414 7.229 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.049 -4.133 5.271 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.407 -3.241 6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.380 -5.539 6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.642 -5.709 7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.607 -4.657 8.538 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.921 -4.280 10.122 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.133 -2.166 3.960 1.00 0.00 N ATOM 1270 CA ALA A 101 -5.926 -1.222 2.869 1.00 0.00 C ATOM 1271 C ALA A 101 -6.962 -0.102 2.916 1.00 0.00 C ATOM 1272 O ALA A 101 -6.620 1.083 2.860 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.992 -1.954 1.539 1.00 0.00 C ATOM 0 H ALA A 101 -6.168 -3.143 3.669 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.940 -0.771 2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.837 -1.245 0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.217 -2.720 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.970 -2.423 1.430 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.230 -0.488 3.029 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.317 0.478 3.089 1.00 0.00 C ATOM 1281 C LEU A 102 -9.112 1.432 4.259 1.00 0.00 C ATOM 1282 O LEU A 102 -9.449 2.613 4.179 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.661 -0.243 3.221 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.747 0.234 2.255 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -12.915 -0.740 2.244 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.219 1.630 2.637 1.00 0.00 C ATOM 0 H LEU A 102 -8.527 -1.462 3.081 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.321 1.056 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.501 -1.310 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.024 -0.120 4.241 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.325 0.274 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.678 -0.385 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.566 -1.723 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.339 -0.811 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.992 1.956 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.626 1.613 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.378 2.322 2.596 1.00 0.00 H new ATOM 1298 N LEU A 103 -8.550 0.913 5.350 1.00 0.00 N ATOM 1299 CA LEU A 103 -8.286 1.721 6.530 1.00 0.00 C ATOM 1300 C LEU A 103 -7.154 2.709 6.261 1.00 0.00 C ATOM 1301 O LEU A 103 -7.112 3.794 6.843 1.00 0.00 O ATOM 1302 CB LEU A 103 -7.932 0.824 7.722 1.00 0.00 C ATOM 1303 CG LEU A 103 -8.849 0.969 8.935 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -8.729 -0.246 9.841 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -8.525 2.242 9.703 1.00 0.00 C ATOM 0 H LEU A 103 -8.270 -0.064 5.437 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.188 2.284 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.951 -0.215 7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.910 1.042 8.030 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.878 1.035 8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.389 -0.126 10.700 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.012 -1.142 9.288 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.699 -0.343 10.185 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -9.189 2.327 10.563 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.491 2.207 10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.663 3.105 9.052 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.244 2.324 5.380 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.114 3.173 5.029 1.00 0.00 C ATOM 1319 C ILE A 104 -5.587 4.459 4.358 1.00 0.00 C ATOM 1320 O ILE A 104 -5.307 5.558 4.836 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.130 2.441 4.092 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -3.601 1.175 4.767 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -2.977 3.357 3.703 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -2.780 0.298 3.846 1.00 0.00 C ATOM 0 H ILE A 104 -6.265 1.428 4.894 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.598 3.420 5.957 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.663 2.157 3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.991 1.458 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -4.443 0.598 5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.295 2.822 3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.367 4.235 3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -2.443 3.670 4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -2.437 -0.582 4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.392 -0.015 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.918 0.858 3.483 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.307 4.318 3.248 1.00 0.00 N ATOM 1337 CA LEU A 105 -6.812 5.477 2.521 1.00 0.00 C ATOM 1338 C LEU A 105 -7.851 6.228 3.349 1.00 0.00 C ATOM 1339 O LEU A 105 -8.006 7.441 3.214 1.00 0.00 O ATOM 1340 CB LEU A 105 -7.417 5.053 1.179 1.00 0.00 C ATOM 1341 CG LEU A 105 -7.770 6.203 0.231 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.030 6.917 0.698 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -6.610 7.182 0.119 1.00 0.00 C ATOM 0 H LEU A 105 -6.552 3.418 2.835 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.972 6.145 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.714 4.390 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.319 4.473 1.372 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.961 5.784 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.263 7.730 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.861 6.212 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -8.870 7.321 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.881 7.991 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.385 7.593 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.732 6.664 -0.267 1.00 0.00 H new ATOM 1355 N HIS A 106 -8.560 5.500 4.206 1.00 0.00 N ATOM 1356 CA HIS A 106 -9.579 6.101 5.049 1.00 0.00 C ATOM 1357 C HIS A 106 -8.972 7.165 5.961 1.00 0.00 C ATOM 1358 O HIS A 106 -9.273 8.351 5.834 1.00 0.00 O ATOM 1359 CB HIS A 106 -10.278 5.027 5.894 1.00 0.00 C ATOM 1360 CG HIS A 106 -11.692 4.767 5.477 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -12.548 5.763 5.057 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -12.399 3.614 5.414 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -13.722 5.235 4.758 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -13.655 3.933 4.963 1.00 0.00 N ATOM 0 H HIS A 106 -8.445 4.494 4.332 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.314 6.577 4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -9.711 4.098 5.828 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.266 5.334 6.940 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -12.041 2.628 5.671 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.588 5.776 4.406 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -14.415 3.270 4.811 1.00 0.00 H new ATOM 1373 N ASN A 107 -8.117 6.729 6.881 1.00 0.00 N ATOM 1374 CA ASN A 107 -7.467 7.641 7.817 1.00 0.00 C ATOM 1375 C ASN A 107 -6.666 8.707 7.069 1.00 0.00 C ATOM 1376 O ASN A 107 -6.509 9.828 7.558 1.00 0.00 O ATOM 1377 CB ASN A 107 -6.551 6.866 8.768 1.00 0.00 C ATOM 1378 CG ASN A 107 -6.051 7.720 9.916 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -4.860 8.029 9.999 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -6.955 8.104 10.801 1.00 0.00 N ATOM 0 H ASN A 107 -7.858 5.750 6.999 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.242 8.138 8.400 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.090 6.006 9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -5.699 6.477 8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.678 8.681 11.595 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.929 7.823 10.690 1.00 0.00 H new ATOM 1387 N ASP A 108 -6.166 8.349 5.892 1.00 0.00 N ATOM 1388 CA ASP A 108 -5.387 9.275 5.087 1.00 0.00 C ATOM 1389 C ASP A 108 -6.276 10.366 4.497 1.00 0.00 C ATOM 1390 O ASP A 108 -5.855 11.511 4.352 1.00 0.00 O ATOM 1391 CB ASP A 108 -4.668 8.521 3.966 1.00 0.00 C ATOM 1392 CG ASP A 108 -3.429 9.249 3.483 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -3.324 10.464 3.726 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -2.564 8.598 2.860 1.00 0.00 O ATOM 0 H ASP A 108 -6.287 7.425 5.477 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.647 9.748 5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.388 7.529 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.352 8.380 3.130 1.00 0.00 H new ATOM 1399 N LEU A 109 -7.507 9.999 4.158 1.00 0.00 N ATOM 1400 CA LEU A 109 -8.457 10.946 3.584 1.00 0.00 C ATOM 1401 C LEU A 109 -9.160 11.737 4.674 1.00 0.00 C ATOM 1402 O LEU A 109 -9.504 12.897 4.486 1.00 0.00 O ATOM 1403 CB LEU A 109 -9.487 10.211 2.724 1.00 0.00 C ATOM 1404 CG LEU A 109 -10.546 11.104 2.076 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -9.911 12.021 1.042 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -11.639 10.257 1.441 1.00 0.00 C ATOM 0 H LEU A 109 -7.871 9.053 4.271 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.902 11.643 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -8.961 9.669 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.990 9.468 3.343 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.997 11.723 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.680 12.649 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.164 12.652 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.433 11.421 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.385 10.908 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.203 9.613 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.114 9.642 2.206 1.00 0.00 H new ATOM 1418 N HIS A 110 -9.377 11.092 5.818 1.00 0.00 N ATOM 1419 CA HIS A 110 -10.043 11.724 6.945 1.00 0.00 C ATOM 1420 C HIS A 110 -9.267 12.958 7.413 1.00 0.00 C ATOM 1421 O HIS A 110 -9.821 13.835 8.087 1.00 0.00 O ATOM 1422 CB HIS A 110 -10.195 10.740 8.099 1.00 0.00 C ATOM 1423 CG HIS A 110 -11.503 10.013 8.090 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -12.180 9.688 6.937 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -12.268 9.545 9.115 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -13.298 9.054 7.243 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -13.372 8.954 8.553 1.00 0.00 N ATOM 0 H HIS A 110 -9.098 10.125 5.985 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.034 12.038 6.616 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -9.383 10.014 8.057 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.093 11.278 9.042 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -12.048 9.624 10.169 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -14.027 8.681 6.538 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -14.130 8.508 9.069 1.00 0.00 H new ATOM 1436 N GLU A 111 -7.988 13.019 7.066 1.00 0.00 N ATOM 1437 CA GLU A 111 -7.144 14.145 7.457 1.00 0.00 C ATOM 1438 C GLU A 111 -7.350 15.347 6.534 1.00 0.00 C ATOM 1439 O GLU A 111 -6.705 16.385 6.709 1.00 0.00 O ATOM 1440 CB GLU A 111 -5.671 13.729 7.442 1.00 0.00 C ATOM 1441 CG GLU A 111 -4.783 14.601 8.311 1.00 0.00 C ATOM 1442 CD GLU A 111 -3.312 14.451 7.983 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -2.979 14.385 6.788 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -2.492 14.405 8.924 1.00 0.00 O ATOM 0 H GLU A 111 -7.511 12.305 6.516 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.430 14.439 8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.591 12.695 7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.304 13.760 6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.074 15.644 8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.945 14.347 9.358 1.00 0.00 H new ATOM 1451 N TYR A 112 -8.249 15.219 5.566 1.00 0.00 N ATOM 1452 CA TYR A 112 -8.531 16.297 4.630 1.00 0.00 C ATOM 1453 C TYR A 112 -10.004 16.686 4.680 1.00 0.00 C ATOM 1454 O TYR A 112 -10.344 17.868 4.728 1.00 0.00 O ATOM 1455 CB TYR A 112 -8.149 15.891 3.211 1.00 0.00 C ATOM 1456 CG TYR A 112 -6.711 16.184 2.858 1.00 0.00 C ATOM 1457 CD1 TYR A 112 -5.689 15.323 3.242 1.00 0.00 C ATOM 1458 CD2 TYR A 112 -6.370 17.332 2.144 1.00 0.00 C ATOM 1459 CE1 TYR A 112 -4.372 15.590 2.921 1.00 0.00 C ATOM 1460 CE2 TYR A 112 -5.057 17.600 1.819 1.00 0.00 C ATOM 1461 CZ TYR A 112 -4.061 16.734 2.212 1.00 0.00 C ATOM 1462 OH TYR A 112 -2.751 17.003 1.891 1.00 0.00 O ATOM 0 H TYR A 112 -8.798 14.373 5.409 1.00 0.00 H new ATOM 0 HA TYR A 112 -7.932 17.160 4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -8.333 14.824 3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -8.799 16.411 2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -5.929 14.430 3.801 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -7.145 18.021 1.841 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.590 14.908 3.223 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -4.810 18.488 1.257 1.00 0.00 H new ATOM 0 HH TYR A 112 -2.703 17.844 1.391 1.00 0.00 H new ATOM 1472 N VAL A 113 -10.869 15.678 4.665 1.00 0.00 N ATOM 1473 CA VAL A 113 -12.304 15.910 4.711 1.00 0.00 C ATOM 1474 C VAL A 113 -12.748 16.337 6.110 1.00 0.00 C ATOM 1475 O VAL A 113 -13.511 15.632 6.782 1.00 0.00 O ATOM 1476 CB VAL A 113 -13.086 14.635 4.309 1.00 0.00 C ATOM 1477 CG1 VAL A 113 -12.759 13.492 5.248 1.00 0.00 C ATOM 1478 CG2 VAL A 113 -14.580 14.907 4.274 1.00 0.00 C ATOM 0 H VAL A 113 -10.600 14.695 4.621 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.521 16.709 4.002 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.778 14.344 3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -13.318 12.605 4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.691 13.280 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.033 13.768 6.266 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -15.109 13.997 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -14.915 15.228 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -14.790 15.691 3.547 1.00 0.00 H new ATOM 1488 N GLU A 114 -12.267 17.496 6.550 1.00 0.00 N ATOM 1489 CA GLU A 114 -12.608 18.015 7.861 1.00 0.00 C ATOM 1490 C GLU A 114 -13.648 19.126 7.752 1.00 0.00 C ATOM 1491 O GLU A 114 -14.033 19.535 6.661 1.00 0.00 O ATOM 1492 CB GLU A 114 -11.355 18.547 8.571 1.00 0.00 C ATOM 1493 CG GLU A 114 -11.247 18.106 10.020 1.00 0.00 C ATOM 1494 CD GLU A 114 -11.142 16.604 10.175 1.00 0.00 C ATOM 1495 OE1 GLU A 114 -10.202 16.018 9.600 1.00 0.00 O ATOM 1496 OE2 GLU A 114 -11.995 16.014 10.864 1.00 0.00 O ATOM 0 H GLU A 114 -11.638 18.092 6.012 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.029 17.197 8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.470 18.211 8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.359 19.636 8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -10.373 18.574 10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.119 18.462 10.568 1.00 0.00 H new TER 1503 GLU A 114