USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=15 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 106 HIS : no HD1:sc= -0.171 X(o=-0.37,f=-0.16) USER MOD Set 1.2: A 110 HIS : no HD1:sc= -0.199 X(o=-0.37,f=-0.16) USER MOD Set 2.1: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 93 ASN : amide:sc= -4.32! C(o=-4.3!,f=-10!) USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 27 SER OG : rot 92:sc= -0.344 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.000375 X(o=-0.00037,f=-0.00037) USER MOD Single : A 36 LYS NZ :NH3+ -117:sc= -0.365 (180deg=-3.08!) 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 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -4.04! C(o=-4!,f=-3.7!) USER MOD Single : A 46 MET CE :methyl 165:sc= 0 (180deg=-0.0494) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 52 ASN : amide:sc= -0.659 X(o=-0.66,f=-1.1) 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 56 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.5!) USER MOD Single : A 59 LYS NZ :NH3+ -155:sc= 0.148 (180deg=0.0495) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.427 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.8!) 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= -0.368 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -25:sc= 0.735 USER MOD Single : A 77 THR OG1 : rot -38:sc= -0.884 USER MOD Single : A 80 ASN : amide:sc= -0.534 K(o=-0.53,f=-2.3!) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) 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 100 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.6!) USER MOD Single : A 107 ASN : amide:sc= 0.224 X(o=0.22,f=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -12.960 -13.389 -6.528 1.00 0.00 N ATOM 2 CA THR A 26 -11.811 -13.602 -5.657 1.00 0.00 C ATOM 3 C THR A 26 -10.525 -13.729 -6.468 1.00 0.00 C ATOM 4 O THR A 26 -10.560 -13.778 -7.697 1.00 0.00 O ATOM 5 CB THR A 26 -12.017 -14.858 -4.809 1.00 0.00 C ATOM 6 OG1 THR A 26 -11.930 -16.024 -5.610 1.00 0.00 O ATOM 7 CG2 THR A 26 -13.353 -14.888 -4.098 1.00 0.00 C ATOM 0 HA THR A 26 -11.720 -12.736 -5.001 1.00 0.00 H new ATOM 0 HB THR A 26 -11.226 -14.833 -4.060 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.063 -16.817 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.434 -15.805 -3.515 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.431 -14.027 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.157 -14.853 -4.833 1.00 0.00 H new ATOM 15 N SER A 27 -9.393 -13.780 -5.763 1.00 0.00 N ATOM 16 CA SER A 27 -8.073 -13.901 -6.394 1.00 0.00 C ATOM 17 C SER A 27 -7.505 -12.535 -6.770 1.00 0.00 C ATOM 18 O SER A 27 -6.287 -12.358 -6.827 1.00 0.00 O ATOM 19 CB SER A 27 -8.135 -14.800 -7.635 1.00 0.00 C ATOM 20 OG SER A 27 -9.021 -15.887 -7.435 1.00 0.00 O ATOM 0 H SER A 27 -9.363 -13.739 -4.744 1.00 0.00 H new ATOM 0 HA SER A 27 -7.409 -14.359 -5.661 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.461 -14.215 -8.495 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.138 -15.177 -7.865 1.00 0.00 H new ATOM 0 HG SER A 27 -9.915 -15.644 -7.756 1.00 0.00 H new ATOM 25 N LYS A 28 -8.383 -11.570 -7.025 1.00 0.00 N ATOM 26 CA LYS A 28 -7.951 -10.228 -7.392 1.00 0.00 C ATOM 27 C LYS A 28 -8.681 -9.173 -6.569 1.00 0.00 C ATOM 28 O LYS A 28 -9.898 -9.024 -6.670 1.00 0.00 O ATOM 29 CB LYS A 28 -8.191 -9.981 -8.883 1.00 0.00 C ATOM 30 CG LYS A 28 -7.169 -10.655 -9.784 1.00 0.00 C ATOM 31 CD LYS A 28 -7.702 -10.833 -11.187 1.00 0.00 C ATOM 32 CE LYS A 28 -6.927 -11.895 -11.954 1.00 0.00 C ATOM 33 NZ LYS A 28 -7.226 -11.867 -13.406 1.00 0.00 N ATOM 0 H LYS A 28 -9.395 -11.693 -6.984 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.884 -10.151 -7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.187 -10.338 -9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.177 -8.908 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.257 -10.058 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.901 -11.627 -9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.755 -11.111 -11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.645 -9.884 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.858 -11.743 -11.802 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.169 -12.879 -11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.676 -12.607 -13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.241 -12.038 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.971 -10.937 -13.795 1.00 0.00 H new ATOM 47 N GLN A 29 -7.927 -8.440 -5.754 1.00 0.00 N ATOM 48 CA GLN A 29 -8.501 -7.396 -4.916 1.00 0.00 C ATOM 49 C GLN A 29 -7.811 -6.061 -5.174 1.00 0.00 C ATOM 50 O GLN A 29 -6.588 -5.998 -5.300 1.00 0.00 O ATOM 51 CB GLN A 29 -8.378 -7.773 -3.437 1.00 0.00 C ATOM 52 CG GLN A 29 -9.476 -7.183 -2.566 1.00 0.00 C ATOM 53 CD GLN A 29 -10.776 -7.957 -2.662 1.00 0.00 C ATOM 54 OE1 GLN A 29 -11.729 -7.515 -3.303 1.00 0.00 O ATOM 55 NE2 GLN A 29 -10.821 -9.121 -2.024 1.00 0.00 N ATOM 0 H GLN A 29 -6.918 -8.551 -5.657 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.557 -7.296 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.396 -8.859 -3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.410 -7.438 -3.064 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.143 -7.168 -1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.651 -6.148 -2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.007 -9.449 -1.504 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.669 -9.686 -2.054 1.00 0.00 H new ATOM 64 N GLU A 30 -8.601 -4.996 -5.255 1.00 0.00 N ATOM 65 CA GLU A 30 -8.057 -3.663 -5.499 1.00 0.00 C ATOM 66 C GLU A 30 -8.710 -2.627 -4.590 1.00 0.00 C ATOM 67 O GLU A 30 -9.934 -2.507 -4.547 1.00 0.00 O ATOM 68 CB GLU A 30 -8.233 -3.263 -6.970 1.00 0.00 C ATOM 69 CG GLU A 30 -7.671 -1.889 -7.299 1.00 0.00 C ATOM 70 CD GLU A 30 -8.526 -1.133 -8.297 1.00 0.00 C ATOM 71 OE1 GLU A 30 -9.463 -0.429 -7.864 1.00 0.00 O ATOM 72 OE2 GLU A 30 -8.258 -1.243 -9.513 1.00 0.00 O ATOM 0 H GLU A 30 -9.616 -5.028 -5.156 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.991 -3.695 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.745 -4.006 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.294 -3.281 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.588 -1.306 -6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.663 -1.999 -7.699 1.00 0.00 H new ATOM 79 N LEU A 31 -7.883 -1.873 -3.870 1.00 0.00 N ATOM 80 CA LEU A 31 -8.380 -0.841 -2.968 1.00 0.00 C ATOM 81 C LEU A 31 -8.383 0.518 -3.663 1.00 0.00 C ATOM 82 O LEU A 31 -7.410 0.893 -4.317 1.00 0.00 O ATOM 83 CB LEU A 31 -7.526 -0.783 -1.699 1.00 0.00 C ATOM 84 CG LEU A 31 -7.693 -1.976 -0.753 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.371 -2.706 -0.572 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.240 -1.521 0.593 1.00 0.00 C ATOM 0 H LEU A 31 -6.867 -1.958 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.403 -1.092 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.477 -0.711 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.771 0.130 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.409 -2.667 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.511 -3.550 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.020 -3.069 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.633 -2.023 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.351 -2.383 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.550 -0.807 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.211 -1.046 0.450 1.00 0.00 H new ATOM 98 N ILE A 32 -9.485 1.247 -3.523 1.00 0.00 N ATOM 99 CA ILE A 32 -9.615 2.559 -4.147 1.00 0.00 C ATOM 100 C ILE A 32 -9.064 3.664 -3.250 1.00 0.00 C ATOM 101 O ILE A 32 -9.759 4.165 -2.366 1.00 0.00 O ATOM 102 CB ILE A 32 -11.084 2.877 -4.488 1.00 0.00 C ATOM 103 CG1 ILE A 32 -11.982 2.626 -3.274 1.00 0.00 C ATOM 104 CG2 ILE A 32 -11.545 2.043 -5.675 1.00 0.00 C ATOM 105 CD1 ILE A 32 -13.068 3.656 -3.107 1.00 0.00 C ATOM 0 H ILE A 32 -10.300 0.953 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.032 2.523 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.157 3.931 -4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.438 1.640 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.367 2.609 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.584 2.279 -5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.923 2.268 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.458 0.984 -5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.665 3.415 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.619 4.641 -2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.707 3.658 -3.990 1.00 0.00 H new ATOM 117 N LEU A 33 -7.814 4.046 -3.492 1.00 0.00 N ATOM 118 CA LEU A 33 -7.173 5.100 -2.714 1.00 0.00 C ATOM 119 C LEU A 33 -6.928 6.330 -3.583 1.00 0.00 C ATOM 120 O LEU A 33 -6.911 6.240 -4.812 1.00 0.00 O ATOM 121 CB LEU A 33 -5.854 4.599 -2.118 1.00 0.00 C ATOM 122 CG LEU A 33 -5.379 5.351 -0.872 1.00 0.00 C ATOM 123 CD1 LEU A 33 -4.644 4.409 0.069 1.00 0.00 C ATOM 124 CD2 LEU A 33 -4.489 6.523 -1.257 1.00 0.00 C ATOM 0 H LEU A 33 -7.225 3.642 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.839 5.379 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.964 3.544 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.079 4.666 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.254 5.744 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.313 4.960 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.313 3.604 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.778 3.987 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.163 7.043 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.618 6.156 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.048 7.211 -1.891 1.00 0.00 H new ATOM 136 N VAL A 34 -6.743 7.479 -2.944 1.00 0.00 N ATOM 137 CA VAL A 34 -6.509 8.720 -3.665 1.00 0.00 C ATOM 138 C VAL A 34 -5.532 9.616 -2.924 1.00 0.00 C ATOM 139 O VAL A 34 -5.777 10.035 -1.797 1.00 0.00 O ATOM 140 CB VAL A 34 -7.819 9.492 -3.900 1.00 0.00 C ATOM 141 CG1 VAL A 34 -7.563 10.739 -4.734 1.00 0.00 C ATOM 142 CG2 VAL A 34 -8.849 8.594 -4.566 1.00 0.00 C ATOM 0 H VAL A 34 -6.751 7.575 -1.929 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.081 8.444 -4.629 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.215 9.808 -2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.501 11.272 -4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.860 11.388 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.145 10.452 -5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.771 9.154 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.464 8.247 -5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.052 7.736 -3.925 1.00 0.00 H new ATOM 152 N LEU A 35 -4.421 9.902 -3.579 1.00 0.00 N ATOM 153 CA LEU A 35 -3.389 10.751 -3.014 1.00 0.00 C ATOM 154 C LEU A 35 -3.830 12.210 -3.018 1.00 0.00 C ATOM 155 O LEU A 35 -4.794 12.577 -3.688 1.00 0.00 O ATOM 156 CB LEU A 35 -2.100 10.581 -3.812 1.00 0.00 C ATOM 157 CG LEU A 35 -0.833 10.398 -2.970 1.00 0.00 C ATOM 158 CD1 LEU A 35 0.076 9.350 -3.596 1.00 0.00 C ATOM 159 CD2 LEU A 35 -0.096 11.720 -2.808 1.00 0.00 C ATOM 0 H LEU A 35 -4.210 9.553 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.213 10.456 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.209 9.718 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.969 11.454 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.128 10.051 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.971 9.233 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.452 8.398 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.361 9.668 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.800 11.566 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.187 12.102 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.746 12.441 -2.312 1.00 0.00 H new ATOM 171 N LYS A 36 -3.111 13.035 -2.267 1.00 0.00 N ATOM 172 CA LYS A 36 -3.427 14.460 -2.186 1.00 0.00 C ATOM 173 C LYS A 36 -2.643 15.253 -3.218 1.00 0.00 C ATOM 174 O LYS A 36 -1.729 14.734 -3.852 1.00 0.00 O ATOM 175 CB LYS A 36 -3.144 14.987 -0.777 1.00 0.00 C ATOM 176 CG LYS A 36 -4.302 15.737 -0.160 1.00 0.00 C ATOM 177 CD LYS A 36 -5.171 14.826 0.689 1.00 0.00 C ATOM 178 CE LYS A 36 -5.743 13.686 -0.129 1.00 0.00 C ATOM 179 NZ LYS A 36 -6.705 14.151 -1.162 1.00 0.00 N ATOM 0 H LYS A 36 -2.309 12.746 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.488 14.586 -2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.882 14.148 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.276 15.645 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.921 16.553 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.906 16.186 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.582 14.424 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.984 15.403 1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.929 13.146 -0.613 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.242 12.981 0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.646 13.757 -0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.755 15.190 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.388 13.832 -2.100 1.00 0.00 H new ATOM 193 N GLY A 37 -3.001 16.520 -3.385 1.00 0.00 N ATOM 194 CA GLY A 37 -2.325 17.370 -4.341 1.00 0.00 C ATOM 195 C GLY A 37 -1.021 17.925 -3.800 1.00 0.00 C ATOM 196 O GLY A 37 0.066 17.468 -4.174 1.00 0.00 O ATOM 0 H GLY A 37 -3.754 16.975 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.126 16.803 -5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.981 18.195 -4.617 1.00 0.00 H new ATOM 200 N GLU A 38 -1.121 18.917 -2.923 1.00 0.00 N ATOM 201 CA GLU A 38 0.061 19.536 -2.332 1.00 0.00 C ATOM 202 C GLU A 38 0.625 18.670 -1.210 1.00 0.00 C ATOM 203 O GLU A 38 1.607 17.959 -1.403 1.00 0.00 O ATOM 204 CB GLU A 38 -0.286 20.938 -1.796 1.00 0.00 C ATOM 205 CG GLU A 38 0.021 22.055 -2.777 1.00 0.00 C ATOM 206 CD GLU A 38 -1.182 22.938 -3.047 1.00 0.00 C ATOM 207 OE1 GLU A 38 -1.660 23.602 -2.098 1.00 0.00 O ATOM 208 OE2 GLU A 38 -1.646 22.973 -4.206 1.00 0.00 O ATOM 0 H GLU A 38 -2.007 19.310 -2.605 1.00 0.00 H new ATOM 0 HA GLU A 38 0.821 19.629 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.346 20.969 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.268 21.113 -0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.835 22.665 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.369 21.624 -3.716 1.00 0.00 H new ATOM 215 N LEU A 39 0.001 18.737 -0.040 1.00 0.00 N ATOM 216 CA LEU A 39 0.442 17.957 1.111 1.00 0.00 C ATOM 217 C LEU A 39 1.893 18.273 1.458 1.00 0.00 C ATOM 218 O LEU A 39 2.467 19.236 0.946 1.00 0.00 O ATOM 219 CB LEU A 39 0.277 16.466 0.832 1.00 0.00 C ATOM 220 CG LEU A 39 -0.206 15.628 2.019 1.00 0.00 C ATOM 221 CD1 LEU A 39 -1.726 15.520 2.009 1.00 0.00 C ATOM 222 CD2 LEU A 39 0.428 14.252 1.996 1.00 0.00 C ATOM 0 H LEU A 39 -0.814 19.325 0.137 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.179 18.227 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.429 16.343 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.234 16.068 0.493 1.00 0.00 H new ATOM 0 HG LEU A 39 0.098 16.127 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.054 14.921 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.162 16.517 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.051 15.045 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.071 13.673 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.157 13.742 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.512 14.350 2.052 1.00 0.00 H new ATOM 234 N ASP A 40 2.477 17.464 2.331 1.00 0.00 N ATOM 235 CA ASP A 40 3.859 17.654 2.745 1.00 0.00 C ATOM 236 C ASP A 40 4.821 17.136 1.681 1.00 0.00 C ATOM 237 O ASP A 40 4.406 16.578 0.670 1.00 0.00 O ATOM 238 CB ASP A 40 4.123 16.947 4.073 1.00 0.00 C ATOM 239 CG ASP A 40 3.749 15.477 4.027 1.00 0.00 C ATOM 240 OD1 ASP A 40 2.561 15.164 4.231 1.00 0.00 O ATOM 241 OD2 ASP A 40 4.645 14.641 3.785 1.00 0.00 O ATOM 0 H ASP A 40 2.013 16.667 2.767 1.00 0.00 H new ATOM 0 HA ASP A 40 4.026 18.723 2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.178 17.043 4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.556 17.439 4.863 1.00 0.00 H new ATOM 246 N LEU A 41 6.115 17.331 1.914 1.00 0.00 N ATOM 247 CA LEU A 41 7.137 16.886 0.975 1.00 0.00 C ATOM 248 C LEU A 41 7.145 15.368 0.858 1.00 0.00 C ATOM 249 O LEU A 41 6.924 14.657 1.842 1.00 0.00 O ATOM 250 CB LEU A 41 8.521 17.388 1.413 1.00 0.00 C ATOM 251 CG LEU A 41 9.333 18.076 0.322 1.00 0.00 C ATOM 252 CD1 LEU A 41 9.134 19.584 0.379 1.00 0.00 C ATOM 253 CD2 LEU A 41 10.810 17.730 0.456 1.00 0.00 C ATOM 0 H LEU A 41 6.480 17.795 2.746 1.00 0.00 H new ATOM 0 HA LEU A 41 6.902 17.305 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.393 18.084 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.094 16.542 1.792 1.00 0.00 H new ATOM 0 HG LEU A 41 8.981 17.717 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.721 20.058 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.079 19.817 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.459 19.957 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.374 18.230 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.174 18.060 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.941 16.652 0.367 1.00 0.00 H new ATOM 265 N HIS A 42 7.389 14.868 -0.349 1.00 0.00 N ATOM 266 CA HIS A 42 7.422 13.430 -0.595 1.00 0.00 C ATOM 267 C HIS A 42 6.058 12.810 -0.344 1.00 0.00 C ATOM 268 O HIS A 42 5.450 13.021 0.707 1.00 0.00 O ATOM 269 CB HIS A 42 8.480 12.767 0.290 1.00 0.00 C ATOM 270 CG HIS A 42 9.781 12.531 -0.403 1.00 0.00 C ATOM 271 ND1 HIS A 42 10.086 11.372 -1.081 1.00 0.00 N ATOM 272 CD2 HIS A 42 10.876 13.330 -0.528 1.00 0.00 C ATOM 273 CE1 HIS A 42 11.300 11.456 -1.588 1.00 0.00 C ATOM 274 NE2 HIS A 42 11.799 12.632 -1.267 1.00 0.00 N ATOM 0 H HIS A 42 7.567 15.439 -1.175 1.00 0.00 H new ATOM 0 HA HIS A 42 7.685 13.265 -1.640 1.00 0.00 H new ATOM 0 HB2 HIS A 42 8.653 13.393 1.165 1.00 0.00 H new ATOM 0 HB3 HIS A 42 8.093 11.814 0.652 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.996 14.324 -0.123 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.799 10.693 -2.166 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.725 12.971 -1.527 1.00 0.00 H new ATOM 283 N SER A 43 5.578 12.036 -1.313 1.00 0.00 N ATOM 284 CA SER A 43 4.282 11.379 -1.196 1.00 0.00 C ATOM 285 C SER A 43 4.283 10.371 -0.052 1.00 0.00 C ATOM 286 O SER A 43 4.852 9.284 -0.166 1.00 0.00 O ATOM 287 CB SER A 43 3.919 10.677 -2.507 1.00 0.00 C ATOM 288 OG SER A 43 4.038 11.566 -3.608 1.00 0.00 O ATOM 0 H SER A 43 6.068 11.849 -2.188 1.00 0.00 H new ATOM 0 HA SER A 43 3.536 12.144 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.572 9.817 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.899 10.297 -2.450 1.00 0.00 H new ATOM 0 HG SER A 43 3.803 11.096 -4.435 1.00 0.00 H new ATOM 294 N LYS A 44 3.639 10.734 1.054 1.00 0.00 N ATOM 295 CA LYS A 44 3.565 9.863 2.220 1.00 0.00 C ATOM 296 C LYS A 44 2.607 8.696 1.975 1.00 0.00 C ATOM 297 O LYS A 44 2.727 7.649 2.599 1.00 0.00 O ATOM 298 CB LYS A 44 3.112 10.653 3.447 1.00 0.00 C ATOM 299 CG LYS A 44 3.750 10.182 4.745 1.00 0.00 C ATOM 300 CD LYS A 44 4.502 11.299 5.444 1.00 0.00 C ATOM 301 CE LYS A 44 5.686 11.773 4.615 1.00 0.00 C ATOM 302 NZ LYS A 44 6.638 12.585 5.422 1.00 0.00 N ATOM 0 H LYS A 44 3.160 11.628 1.166 1.00 0.00 H new ATOM 0 HA LYS A 44 4.562 9.461 2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.348 11.707 3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.028 10.579 3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.978 9.793 5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.434 9.359 4.536 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.827 12.135 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.852 10.952 6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.206 10.910 4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.326 12.365 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.431 12.889 4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.148 13.422 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.001 12.012 6.211 1.00 0.00 H new ATOM 316 N ASN A 45 1.661 8.895 1.060 1.00 0.00 N ATOM 317 CA ASN A 45 0.688 7.868 0.730 1.00 0.00 C ATOM 318 C ASN A 45 1.376 6.575 0.303 1.00 0.00 C ATOM 319 O ASN A 45 1.111 5.508 0.856 1.00 0.00 O ATOM 320 CB ASN A 45 -0.245 8.356 -0.380 1.00 0.00 C ATOM 321 CG ASN A 45 -1.574 8.847 0.156 1.00 0.00 C ATOM 322 OD1 ASN A 45 -1.845 10.046 0.181 1.00 0.00 O ATOM 323 ND2 ASN A 45 -2.416 7.916 0.589 1.00 0.00 N ATOM 0 H ASN A 45 1.551 9.763 0.535 1.00 0.00 H new ATOM 0 HA ASN A 45 0.100 7.663 1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.241 9.161 -0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.419 7.545 -1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.327 8.185 0.960 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.152 6.932 0.550 1.00 0.00 H new ATOM 330 N MET A 46 2.263 6.676 -0.682 1.00 0.00 N ATOM 331 CA MET A 46 2.987 5.510 -1.178 1.00 0.00 C ATOM 332 C MET A 46 3.699 4.790 -0.037 1.00 0.00 C ATOM 333 O MET A 46 3.800 3.568 -0.025 1.00 0.00 O ATOM 334 CB MET A 46 3.998 5.926 -2.248 1.00 0.00 C ATOM 335 CG MET A 46 4.903 7.075 -1.819 1.00 0.00 C ATOM 336 SD MET A 46 6.413 7.168 -2.795 1.00 0.00 S ATOM 337 CE MET A 46 7.283 8.476 -1.941 1.00 0.00 C ATOM 0 H MET A 46 2.498 7.551 -1.152 1.00 0.00 H new ATOM 0 HA MET A 46 2.265 4.825 -1.622 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.615 5.066 -2.507 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.460 6.216 -3.151 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.358 8.015 -1.909 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.162 6.956 -0.767 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.330 8.476 -2.246 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.832 9.436 -2.191 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.219 8.314 -0.865 1.00 0.00 H new ATOM 347 N LYS A 47 4.189 5.567 0.924 1.00 0.00 N ATOM 348 CA LYS A 47 4.885 5.011 2.076 1.00 0.00 C ATOM 349 C LYS A 47 3.904 4.322 3.015 1.00 0.00 C ATOM 350 O LYS A 47 4.278 3.424 3.769 1.00 0.00 O ATOM 351 CB LYS A 47 5.638 6.113 2.826 1.00 0.00 C ATOM 352 CG LYS A 47 6.887 5.621 3.541 1.00 0.00 C ATOM 353 CD LYS A 47 7.532 6.724 4.355 1.00 0.00 C ATOM 354 CE LYS A 47 7.092 6.689 5.806 1.00 0.00 C ATOM 355 NZ LYS A 47 8.104 6.037 6.683 1.00 0.00 N ATOM 0 H LYS A 47 4.116 6.584 0.926 1.00 0.00 H new ATOM 0 HA LYS A 47 5.602 4.273 1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.918 6.895 2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.968 6.568 3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.629 4.788 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.601 5.242 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.616 6.627 4.302 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.277 7.691 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.912 7.706 6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.146 6.153 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.762 6.035 7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.257 5.058 6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.000 6.562 6.629 1.00 0.00 H new ATOM 369 N ASN A 48 2.644 4.744 2.961 1.00 0.00 N ATOM 370 CA ASN A 48 1.607 4.164 3.803 1.00 0.00 C ATOM 371 C ASN A 48 1.239 2.764 3.320 1.00 0.00 C ATOM 372 O ASN A 48 0.967 1.872 4.123 1.00 0.00 O ATOM 373 CB ASN A 48 0.366 5.059 3.812 1.00 0.00 C ATOM 374 CG ASN A 48 -0.205 5.241 5.204 1.00 0.00 C ATOM 375 OD1 ASN A 48 -0.241 4.161 5.976 1.00 0.00 O flip ATOM 376 ND2 ASN A 48 -0.610 6.341 5.584 1.00 0.00 N flip ATOM 0 H ASN A 48 2.318 5.486 2.342 1.00 0.00 H new ATOM 0 HA ASN A 48 1.996 4.089 4.819 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.621 6.034 3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.396 4.626 3.164 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.564 7.145 4.958 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.991 6.447 6.524 1.00 0.00 H new ATOM 383 N VAL A 49 1.235 2.579 2.003 1.00 0.00 N ATOM 384 CA VAL A 49 0.903 1.286 1.419 1.00 0.00 C ATOM 385 C VAL A 49 2.031 0.284 1.625 1.00 0.00 C ATOM 386 O VAL A 49 1.803 -0.834 2.080 1.00 0.00 O ATOM 387 CB VAL A 49 0.609 1.398 -0.086 1.00 0.00 C ATOM 388 CG1 VAL A 49 0.031 0.091 -0.608 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.336 2.558 -0.364 1.00 0.00 C ATOM 0 H VAL A 49 1.457 3.306 1.323 1.00 0.00 H new ATOM 0 HA VAL A 49 0.006 0.937 1.930 1.00 0.00 H new ATOM 0 HB VAL A 49 1.545 1.594 -0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.173 0.184 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.747 -0.715 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.896 -0.134 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.531 2.620 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.274 2.398 0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.120 3.488 -0.024 1.00 0.00 H new ATOM 399 N ILE A 50 3.251 0.693 1.292 1.00 0.00 N ATOM 400 CA ILE A 50 4.411 -0.175 1.448 1.00 0.00 C ATOM 401 C ILE A 50 4.564 -0.621 2.900 1.00 0.00 C ATOM 402 O ILE A 50 5.106 -1.691 3.177 1.00 0.00 O ATOM 403 CB ILE A 50 5.706 0.523 0.984 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.889 -0.448 1.043 1.00 0.00 C ATOM 405 CG2 ILE A 50 5.980 1.758 1.828 1.00 0.00 C ATOM 406 CD1 ILE A 50 7.402 -0.858 -0.321 1.00 0.00 C ATOM 0 H ILE A 50 3.461 1.617 0.914 1.00 0.00 H new ATOM 0 HA ILE A 50 4.245 -1.050 0.819 1.00 0.00 H new ATOM 0 HB ILE A 50 5.575 0.840 -0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.701 0.015 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.590 -1.340 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.897 2.237 1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.149 2.456 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.091 1.468 2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.239 -1.546 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.604 -1.350 -0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.733 0.026 -0.866 1.00 0.00 H new ATOM 418 N ASN A 51 4.077 0.202 3.824 1.00 0.00 N ATOM 419 CA ASN A 51 4.155 -0.115 5.245 1.00 0.00 C ATOM 420 C ASN A 51 3.112 -1.165 5.621 1.00 0.00 C ATOM 421 O ASN A 51 3.409 -2.121 6.335 1.00 0.00 O ATOM 422 CB ASN A 51 3.952 1.148 6.086 1.00 0.00 C ATOM 423 CG ASN A 51 5.018 1.310 7.152 1.00 0.00 C ATOM 424 OD1 ASN A 51 5.277 0.393 7.930 1.00 0.00 O ATOM 425 ND2 ASN A 51 5.641 2.482 7.193 1.00 0.00 N ATOM 0 H ASN A 51 3.625 1.092 3.614 1.00 0.00 H new ATOM 0 HA ASN A 51 5.146 -0.520 5.449 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.959 2.021 5.433 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.971 1.112 6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.367 2.650 7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.394 3.215 6.528 1.00 0.00 H new ATOM 432 N ASN A 52 1.889 -0.977 5.133 1.00 0.00 N ATOM 433 CA ASN A 52 0.802 -1.908 5.416 1.00 0.00 C ATOM 434 C ASN A 52 0.948 -3.179 4.585 1.00 0.00 C ATOM 435 O ASN A 52 0.856 -4.288 5.109 1.00 0.00 O ATOM 436 CB ASN A 52 -0.550 -1.249 5.129 1.00 0.00 C ATOM 437 CG ASN A 52 -0.933 -0.233 6.187 1.00 0.00 C ATOM 438 OD1 ASN A 52 -0.129 0.113 7.052 1.00 0.00 O ATOM 439 ND2 ASN A 52 -2.168 0.251 6.122 1.00 0.00 N ATOM 0 H ASN A 52 1.626 -0.189 4.540 1.00 0.00 H new ATOM 0 HA ASN A 52 0.850 -2.176 6.471 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.514 -0.760 4.156 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.321 -2.017 5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.483 0.938 6.807 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.801 -0.064 5.387 1.00 0.00 H new ATOM 446 N ALA A 53 1.181 -3.006 3.289 1.00 0.00 N ATOM 447 CA ALA A 53 1.344 -4.136 2.383 1.00 0.00 C ATOM 448 C ALA A 53 2.500 -5.029 2.825 1.00 0.00 C ATOM 449 O ALA A 53 2.497 -6.233 2.572 1.00 0.00 O ATOM 450 CB ALA A 53 1.568 -3.644 0.961 1.00 0.00 C ATOM 0 H ALA A 53 1.261 -2.093 2.842 1.00 0.00 H new ATOM 0 HA ALA A 53 0.429 -4.728 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.688 -4.498 0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.710 -3.053 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.467 -3.028 0.926 1.00 0.00 H new ATOM 456 N LYS A 54 3.484 -4.432 3.491 1.00 0.00 N ATOM 457 CA LYS A 54 4.642 -5.176 3.969 1.00 0.00 C ATOM 458 C LYS A 54 4.314 -5.908 5.266 1.00 0.00 C ATOM 459 O LYS A 54 4.657 -7.078 5.434 1.00 0.00 O ATOM 460 CB LYS A 54 5.831 -4.238 4.185 1.00 0.00 C ATOM 461 CG LYS A 54 7.102 -4.955 4.610 1.00 0.00 C ATOM 462 CD LYS A 54 8.163 -4.906 3.521 1.00 0.00 C ATOM 463 CE LYS A 54 8.726 -3.504 3.354 1.00 0.00 C ATOM 464 NZ LYS A 54 9.201 -3.258 1.965 1.00 0.00 N ATOM 0 H LYS A 54 3.502 -3.436 3.711 1.00 0.00 H new ATOM 0 HA LYS A 54 4.908 -5.912 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.024 -3.691 3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.568 -3.501 4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.492 -4.498 5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.872 -5.993 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.970 -5.596 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.733 -5.241 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.960 -2.772 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.551 -3.359 4.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.577 -2.291 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.950 -3.940 1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.408 -3.371 1.302 1.00 0.00 H new ATOM 478 N LYS A 55 3.642 -5.211 6.178 1.00 0.00 N ATOM 479 CA LYS A 55 3.262 -5.799 7.457 1.00 0.00 C ATOM 480 C LYS A 55 2.352 -7.002 7.244 1.00 0.00 C ATOM 481 O LYS A 55 2.463 -8.010 7.941 1.00 0.00 O ATOM 482 CB LYS A 55 2.559 -4.759 8.333 1.00 0.00 C ATOM 483 CG LYS A 55 2.541 -5.120 9.809 1.00 0.00 C ATOM 484 CD LYS A 55 1.124 -5.349 10.313 1.00 0.00 C ATOM 485 CE LYS A 55 1.061 -5.338 11.831 1.00 0.00 C ATOM 486 NZ LYS A 55 -0.021 -4.450 12.337 1.00 0.00 N ATOM 0 H LYS A 55 3.350 -4.241 6.055 1.00 0.00 H new ATOM 0 HA LYS A 55 4.168 -6.132 7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.055 -3.796 8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.533 -4.636 7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.135 -6.019 9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.008 -4.321 10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.467 -4.576 9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.755 -6.304 9.940 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.897 -6.352 12.195 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.019 -5.007 12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.030 -4.471 13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.148 -3.477 12.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.939 -4.781 11.976 1.00 0.00 H new ATOM 500 N ASN A 56 1.456 -6.890 6.269 1.00 0.00 N ATOM 501 CA ASN A 56 0.531 -7.970 5.955 1.00 0.00 C ATOM 502 C ASN A 56 1.271 -9.141 5.320 1.00 0.00 C ATOM 503 O ASN A 56 1.091 -10.292 5.717 1.00 0.00 O ATOM 504 CB ASN A 56 -0.569 -7.474 5.015 1.00 0.00 C ATOM 505 CG ASN A 56 -1.424 -6.392 5.647 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.798 -6.483 6.815 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.737 -5.359 4.873 1.00 0.00 N ATOM 0 H ASN A 56 1.352 -6.062 5.683 1.00 0.00 H new ATOM 0 HA ASN A 56 0.073 -8.309 6.884 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.116 -7.088 4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.203 -8.313 4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.310 -4.600 5.242 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.405 -5.325 3.909 1.00 0.00 H new ATOM 514 N LEU A 57 2.112 -8.837 4.334 1.00 0.00 N ATOM 515 CA LEU A 57 2.889 -9.862 3.643 1.00 0.00 C ATOM 516 C LEU A 57 3.596 -10.771 4.642 1.00 0.00 C ATOM 517 O LEU A 57 3.376 -11.982 4.661 1.00 0.00 O ATOM 518 CB LEU A 57 3.920 -9.214 2.719 1.00 0.00 C ATOM 519 CG LEU A 57 3.369 -8.705 1.386 1.00 0.00 C ATOM 520 CD1 LEU A 57 4.206 -7.543 0.876 1.00 0.00 C ATOM 521 CD2 LEU A 57 3.329 -9.830 0.363 1.00 0.00 C ATOM 0 H LEU A 57 2.273 -7.888 3.996 1.00 0.00 H new ATOM 0 HA LEU A 57 2.201 -10.463 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.383 -8.379 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.708 -9.939 2.515 1.00 0.00 H new ATOM 0 HG LEU A 57 2.350 -8.350 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.801 -7.192 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.183 -6.731 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.235 -7.872 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.934 -9.451 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.337 -10.215 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.687 -10.632 0.729 1.00 0.00 H new ATOM 533 N GLU A 58 4.443 -10.173 5.473 1.00 0.00 N ATOM 534 CA GLU A 58 5.183 -10.924 6.478 1.00 0.00 C ATOM 535 C GLU A 58 4.232 -11.635 7.435 1.00 0.00 C ATOM 536 O GLU A 58 4.554 -12.695 7.972 1.00 0.00 O ATOM 537 CB GLU A 58 6.112 -9.994 7.260 1.00 0.00 C ATOM 538 CG GLU A 58 7.450 -9.757 6.579 1.00 0.00 C ATOM 539 CD GLU A 58 8.074 -8.430 6.966 1.00 0.00 C ATOM 540 OE1 GLU A 58 8.362 -8.237 8.166 1.00 0.00 O ATOM 541 OE2 GLU A 58 8.273 -7.583 6.070 1.00 0.00 O ATOM 0 H GLU A 58 4.633 -9.171 5.470 1.00 0.00 H new ATOM 0 HA GLU A 58 5.783 -11.676 5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.614 -9.036 7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.287 -10.417 8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.134 -10.565 6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.314 -9.789 5.498 1.00 0.00 H new ATOM 548 N LYS A 59 3.056 -11.049 7.639 1.00 0.00 N ATOM 549 CA LYS A 59 2.058 -11.633 8.528 1.00 0.00 C ATOM 550 C LYS A 59 1.716 -13.053 8.088 1.00 0.00 C ATOM 551 O LYS A 59 1.498 -13.938 8.915 1.00 0.00 O ATOM 552 CB LYS A 59 0.794 -10.769 8.552 1.00 0.00 C ATOM 553 CG LYS A 59 0.436 -10.255 9.938 1.00 0.00 C ATOM 554 CD LYS A 59 -0.478 -11.222 10.672 1.00 0.00 C ATOM 555 CE LYS A 59 -0.116 -11.320 12.145 1.00 0.00 C ATOM 556 NZ LYS A 59 -0.981 -12.293 12.867 1.00 0.00 N ATOM 0 H LYS A 59 2.772 -10.172 7.202 1.00 0.00 H new ATOM 0 HA LYS A 59 2.475 -11.672 9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.931 -9.920 7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.041 -11.350 8.162 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.347 -10.103 10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.053 -9.285 9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.513 -10.894 10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.410 -12.208 10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.927 -11.620 12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.210 -10.338 12.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.016 -12.044 13.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.942 -12.264 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.591 -13.251 12.760 1.00 0.00 H new ATOM 570 N TYR A 60 1.681 -13.265 6.775 1.00 0.00 N ATOM 571 CA TYR A 60 1.376 -14.577 6.221 1.00 0.00 C ATOM 572 C TYR A 60 2.615 -15.464 6.237 1.00 0.00 C ATOM 573 O TYR A 60 2.520 -16.678 6.404 1.00 0.00 O ATOM 574 CB TYR A 60 0.856 -14.452 4.787 1.00 0.00 C ATOM 575 CG TYR A 60 -0.067 -13.274 4.569 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.362 -13.278 5.071 1.00 0.00 C ATOM 577 CD2 TYR A 60 0.358 -12.161 3.857 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.208 -12.204 4.871 1.00 0.00 C ATOM 579 CE2 TYR A 60 -0.482 -11.082 3.651 1.00 0.00 C ATOM 580 CZ TYR A 60 -1.764 -11.108 4.159 1.00 0.00 C ATOM 581 OH TYR A 60 -2.604 -10.038 3.956 1.00 0.00 O ATOM 0 H TYR A 60 1.860 -12.544 6.076 1.00 0.00 H new ATOM 0 HA TYR A 60 0.602 -15.031 6.840 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.705 -14.365 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.328 -15.368 4.521 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.714 -14.135 5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.361 -12.137 3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.212 -12.222 5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.136 -10.223 3.095 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.230 -9.967 4.707 1.00 0.00 H new ATOM 591 N PHE A 61 3.776 -14.846 6.059 1.00 0.00 N ATOM 592 CA PHE A 61 5.040 -15.574 6.051 1.00 0.00 C ATOM 593 C PHE A 61 5.366 -16.120 7.439 1.00 0.00 C ATOM 594 O PHE A 61 6.033 -17.145 7.577 1.00 0.00 O ATOM 595 CB PHE A 61 6.173 -14.665 5.571 1.00 0.00 C ATOM 596 CG PHE A 61 7.351 -15.415 5.018 1.00 0.00 C ATOM 597 CD1 PHE A 61 8.228 -16.074 5.866 1.00 0.00 C ATOM 598 CD2 PHE A 61 7.583 -15.459 3.653 1.00 0.00 C ATOM 599 CE1 PHE A 61 9.314 -16.764 5.361 1.00 0.00 C ATOM 600 CE2 PHE A 61 8.668 -16.147 3.142 1.00 0.00 C ATOM 601 CZ PHE A 61 9.534 -16.801 3.997 1.00 0.00 C ATOM 0 H PHE A 61 3.869 -13.840 5.918 1.00 0.00 H new ATOM 0 HA PHE A 61 4.940 -16.415 5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.788 -13.993 4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.506 -14.043 6.402 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.061 -16.048 6.933 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.909 -14.950 2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.990 -17.274 6.032 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.838 -16.173 2.076 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.381 -17.340 3.600 1.00 0.00 H new ATOM 611 N LYS A 62 4.899 -15.427 8.468 1.00 0.00 N ATOM 612 CA LYS A 62 5.147 -15.845 9.841 1.00 0.00 C ATOM 613 C LYS A 62 4.075 -16.816 10.327 1.00 0.00 C ATOM 614 O LYS A 62 4.324 -17.636 11.211 1.00 0.00 O ATOM 615 CB LYS A 62 5.212 -14.625 10.764 1.00 0.00 C ATOM 616 CG LYS A 62 6.605 -14.349 11.307 1.00 0.00 C ATOM 617 CD LYS A 62 6.886 -12.858 11.389 1.00 0.00 C ATOM 618 CE LYS A 62 7.133 -12.261 10.012 1.00 0.00 C ATOM 619 NZ LYS A 62 8.177 -11.199 10.046 1.00 0.00 N ATOM 0 H LYS A 62 4.347 -14.574 8.379 1.00 0.00 H new ATOM 0 HA LYS A 62 6.106 -16.362 9.866 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.863 -13.748 10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.528 -14.774 11.599 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.705 -14.794 12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.347 -14.825 10.666 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.042 -12.353 11.860 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.755 -12.685 12.023 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.439 -13.049 9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.203 -11.844 9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.316 -10.818 9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.874 -10.434 10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.071 -11.602 10.391 1.00 0.00 H new ATOM 633 N GLU A 63 2.880 -16.712 9.756 1.00 0.00 N ATOM 634 CA GLU A 63 1.771 -17.575 10.147 1.00 0.00 C ATOM 635 C GLU A 63 1.636 -18.777 9.215 1.00 0.00 C ATOM 636 O GLU A 63 1.523 -19.914 9.670 1.00 0.00 O ATOM 637 CB GLU A 63 0.464 -16.779 10.162 1.00 0.00 C ATOM 638 CG GLU A 63 -0.356 -16.983 11.425 1.00 0.00 C ATOM 639 CD GLU A 63 0.099 -16.094 12.566 1.00 0.00 C ATOM 640 OE1 GLU A 63 1.310 -16.093 12.871 1.00 0.00 O ATOM 641 OE2 GLU A 63 -0.756 -15.399 13.154 1.00 0.00 O ATOM 0 H GLU A 63 2.655 -16.040 9.022 1.00 0.00 H new ATOM 0 HA GLU A 63 1.981 -17.949 11.149 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.692 -15.719 10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.136 -17.065 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.405 -16.782 11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.288 -18.026 11.733 1.00 0.00 H new ATOM 648 N HIS A 64 1.634 -18.520 7.910 1.00 0.00 N ATOM 649 CA HIS A 64 1.495 -19.592 6.926 1.00 0.00 C ATOM 650 C HIS A 64 2.701 -19.676 5.993 1.00 0.00 C ATOM 651 O HIS A 64 2.676 -20.402 5.000 1.00 0.00 O ATOM 652 CB HIS A 64 0.216 -19.400 6.110 1.00 0.00 C ATOM 653 CG HIS A 64 -0.588 -20.654 5.953 1.00 0.00 C ATOM 654 ND1 HIS A 64 -0.020 -21.884 5.695 1.00 0.00 N ATOM 655 CD2 HIS A 64 -1.924 -20.864 6.020 1.00 0.00 C ATOM 656 CE1 HIS A 64 -0.972 -22.796 5.610 1.00 0.00 C ATOM 657 NE2 HIS A 64 -2.135 -22.204 5.805 1.00 0.00 N ATOM 0 H HIS A 64 1.726 -17.586 7.510 1.00 0.00 H new ATOM 0 HA HIS A 64 1.438 -20.531 7.477 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.401 -18.640 6.590 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.478 -19.020 5.123 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.682 -20.118 6.207 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.824 -23.848 5.414 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.044 -22.667 5.797 1.00 0.00 H new ATOM 666 N PHE A 65 3.753 -18.937 6.317 1.00 0.00 N ATOM 667 CA PHE A 65 4.967 -18.934 5.504 1.00 0.00 C ATOM 668 C PHE A 65 4.646 -18.679 4.033 1.00 0.00 C ATOM 669 O PHE A 65 3.488 -18.489 3.663 1.00 0.00 O ATOM 670 CB PHE A 65 5.707 -20.264 5.665 1.00 0.00 C ATOM 671 CG PHE A 65 7.053 -20.124 6.319 1.00 0.00 C ATOM 672 CD1 PHE A 65 8.179 -19.836 5.565 1.00 0.00 C ATOM 673 CD2 PHE A 65 7.191 -20.282 7.689 1.00 0.00 C ATOM 674 CE1 PHE A 65 9.418 -19.707 6.165 1.00 0.00 C ATOM 675 CE2 PHE A 65 8.426 -20.154 8.295 1.00 0.00 C ATOM 676 CZ PHE A 65 9.541 -19.867 7.532 1.00 0.00 C ATOM 0 H PHE A 65 3.793 -18.331 7.137 1.00 0.00 H new ATOM 0 HA PHE A 65 5.609 -18.124 5.851 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.093 -20.943 6.256 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.834 -20.721 4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.088 -19.711 4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.323 -20.508 8.290 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.288 -19.482 5.566 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.519 -20.278 9.364 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.508 -19.768 8.003 1.00 0.00 H new ATOM 686 N LYS A 66 5.680 -18.674 3.199 1.00 0.00 N ATOM 687 CA LYS A 66 5.508 -18.439 1.770 1.00 0.00 C ATOM 688 C LYS A 66 4.618 -19.511 1.147 1.00 0.00 C ATOM 689 O LYS A 66 4.907 -20.704 1.242 1.00 0.00 O ATOM 690 CB LYS A 66 6.868 -18.412 1.068 1.00 0.00 C ATOM 691 CG LYS A 66 7.144 -17.114 0.328 1.00 0.00 C ATOM 692 CD LYS A 66 8.561 -17.074 -0.222 1.00 0.00 C ATOM 693 CE LYS A 66 8.585 -17.320 -1.722 1.00 0.00 C ATOM 694 NZ LYS A 66 8.653 -16.047 -2.491 1.00 0.00 N ATOM 0 H LYS A 66 6.646 -18.830 3.488 1.00 0.00 H new ATOM 0 HA LYS A 66 5.024 -17.471 1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.653 -18.573 1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.920 -19.241 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.432 -17.002 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.990 -16.271 1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.009 -16.105 -0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.169 -17.826 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.443 -17.943 -1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.692 -17.873 -2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.668 -16.257 -3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.821 -15.463 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.518 -15.531 -2.232 1.00 0.00 H new ATOM 708 N GLU A 67 3.535 -19.077 0.510 1.00 0.00 N ATOM 709 CA GLU A 67 2.604 -20.001 -0.128 1.00 0.00 C ATOM 710 C GLU A 67 1.629 -19.255 -1.032 1.00 0.00 C ATOM 711 O GLU A 67 1.492 -19.575 -2.213 1.00 0.00 O ATOM 712 CB GLU A 67 1.834 -20.793 0.928 1.00 0.00 C ATOM 713 CG GLU A 67 1.522 -22.221 0.510 1.00 0.00 C ATOM 714 CD GLU A 67 0.603 -22.927 1.487 1.00 0.00 C ATOM 715 OE1 GLU A 67 0.805 -22.775 2.709 1.00 0.00 O ATOM 716 OE2 GLU A 67 -0.319 -23.634 1.029 1.00 0.00 O ATOM 0 H GLU A 67 3.281 -18.093 0.422 1.00 0.00 H new ATOM 0 HA GLU A 67 3.182 -20.693 -0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.414 -20.812 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.900 -20.276 1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.060 -22.214 -0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.453 -22.782 0.422 1.00 0.00 H new ATOM 723 N PHE A 68 0.948 -18.260 -0.471 1.00 0.00 N ATOM 724 CA PHE A 68 -0.017 -17.473 -1.228 1.00 0.00 C ATOM 725 C PHE A 68 -0.270 -16.126 -0.558 1.00 0.00 C ATOM 726 O PHE A 68 0.342 -15.803 0.460 1.00 0.00 O ATOM 727 CB PHE A 68 -1.333 -18.242 -1.368 1.00 0.00 C ATOM 728 CG PHE A 68 -1.250 -19.407 -2.312 1.00 0.00 C ATOM 729 CD1 PHE A 68 -0.873 -19.220 -3.632 1.00 0.00 C ATOM 730 CD2 PHE A 68 -1.549 -20.689 -1.880 1.00 0.00 C ATOM 731 CE1 PHE A 68 -0.795 -20.289 -4.503 1.00 0.00 C ATOM 732 CE2 PHE A 68 -1.475 -21.762 -2.747 1.00 0.00 C ATOM 733 CZ PHE A 68 -1.097 -21.563 -4.061 1.00 0.00 C ATOM 0 H PHE A 68 1.047 -17.981 0.505 1.00 0.00 H new ATOM 0 HA PHE A 68 0.398 -17.291 -2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.640 -18.602 -0.386 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.109 -17.559 -1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.637 -18.227 -3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.843 -20.851 -0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.498 -20.129 -5.529 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.713 -22.756 -2.398 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.038 -22.400 -4.740 1.00 0.00 H new ATOM 743 N ASP A 69 -1.179 -15.345 -1.136 1.00 0.00 N ATOM 744 CA ASP A 69 -1.522 -14.031 -0.598 1.00 0.00 C ATOM 745 C ASP A 69 -0.375 -13.041 -0.787 1.00 0.00 C ATOM 746 O ASP A 69 0.727 -13.245 -0.277 1.00 0.00 O ATOM 747 CB ASP A 69 -1.881 -14.135 0.886 1.00 0.00 C ATOM 748 CG ASP A 69 -2.844 -15.271 1.169 1.00 0.00 C ATOM 749 OD1 ASP A 69 -3.981 -15.229 0.653 1.00 0.00 O ATOM 750 OD2 ASP A 69 -2.462 -16.204 1.907 1.00 0.00 O ATOM 0 H ASP A 69 -1.693 -15.600 -1.979 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.388 -13.663 -1.148 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.971 -14.280 1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.324 -13.196 1.217 1.00 0.00 H new ATOM 755 N LYS A 70 -0.649 -11.967 -1.522 1.00 0.00 N ATOM 756 CA LYS A 70 0.350 -10.935 -1.781 1.00 0.00 C ATOM 757 C LYS A 70 -0.314 -9.568 -1.896 1.00 0.00 C ATOM 758 O LYS A 70 -1.533 -9.473 -2.046 1.00 0.00 O ATOM 759 CB LYS A 70 1.122 -11.253 -3.063 1.00 0.00 C ATOM 760 CG LYS A 70 2.345 -12.126 -2.836 1.00 0.00 C ATOM 761 CD LYS A 70 3.609 -11.292 -2.709 1.00 0.00 C ATOM 762 CE LYS A 70 4.229 -11.010 -4.068 1.00 0.00 C ATOM 763 NZ LYS A 70 5.700 -10.792 -3.973 1.00 0.00 N ATOM 0 H LYS A 70 -1.558 -11.789 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 70 1.049 -10.915 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.454 -11.753 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.434 -10.319 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.207 -12.719 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.452 -12.827 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.376 -10.350 -2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.330 -11.815 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.028 -11.845 -4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.759 -10.129 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.085 -10.603 -4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.891 -9.979 -3.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.152 -11.642 -3.579 1.00 0.00 H new ATOM 777 N ILE A 71 0.483 -8.506 -1.822 1.00 0.00 N ATOM 778 CA ILE A 71 -0.055 -7.155 -1.917 1.00 0.00 C ATOM 779 C ILE A 71 0.794 -6.268 -2.815 1.00 0.00 C ATOM 780 O ILE A 71 2.023 -6.272 -2.741 1.00 0.00 O ATOM 781 CB ILE A 71 -0.182 -6.495 -0.533 1.00 0.00 C ATOM 782 CG1 ILE A 71 -0.962 -7.407 0.409 1.00 0.00 C ATOM 783 CG2 ILE A 71 -0.864 -5.140 -0.651 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.108 -8.047 1.482 1.00 0.00 C ATOM 0 H ILE A 71 1.494 -8.554 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.047 -7.255 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 71 0.816 -6.340 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.755 -6.830 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.444 -8.191 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.946 -4.687 0.337 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.275 -4.492 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.860 -5.270 -1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.731 -8.681 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.670 -8.652 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.353 -7.270 2.091 1.00 0.00 H new ATOM 796 N SER A 72 0.115 -5.504 -3.658 1.00 0.00 N ATOM 797 CA SER A 72 0.775 -4.595 -4.582 1.00 0.00 C ATOM 798 C SER A 72 0.027 -3.266 -4.646 1.00 0.00 C ATOM 799 O SER A 72 -1.098 -3.156 -4.158 1.00 0.00 O ATOM 800 CB SER A 72 0.854 -5.230 -5.969 1.00 0.00 C ATOM 801 OG SER A 72 0.970 -4.246 -6.983 1.00 0.00 O ATOM 0 H SER A 72 -0.903 -5.497 -3.721 1.00 0.00 H new ATOM 0 HA SER A 72 1.787 -4.402 -4.225 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.710 -5.904 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.036 -5.833 -6.146 1.00 0.00 H new ATOM 0 HG SER A 72 1.020 -4.683 -7.859 1.00 0.00 H new ATOM 807 N TYR A 73 0.650 -2.260 -5.250 1.00 0.00 N ATOM 808 CA TYR A 73 0.024 -0.947 -5.370 1.00 0.00 C ATOM 809 C TYR A 73 0.669 -0.129 -6.483 1.00 0.00 C ATOM 810 O TYR A 73 1.858 -0.275 -6.767 1.00 0.00 O ATOM 811 CB TYR A 73 0.095 -0.200 -4.039 1.00 0.00 C ATOM 812 CG TYR A 73 1.485 0.247 -3.646 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.508 -0.673 -3.456 1.00 0.00 C ATOM 814 CD2 TYR A 73 1.773 1.594 -3.464 1.00 0.00 C ATOM 815 CE1 TYR A 73 3.779 -0.265 -3.096 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.041 2.011 -3.104 1.00 0.00 C ATOM 817 CZ TYR A 73 4.039 1.078 -2.922 1.00 0.00 C ATOM 818 OH TYR A 73 5.303 1.489 -2.564 1.00 0.00 O ATOM 0 H TYR A 73 1.581 -2.326 -5.662 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.024 -1.094 -5.630 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.553 0.675 -4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.302 -0.843 -3.254 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.307 -1.725 -3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.993 2.328 -3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.563 -0.993 -2.952 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.248 3.062 -2.966 1.00 0.00 H new ATOM 0 HH TYR A 73 5.319 2.466 -2.483 1.00 0.00 H new ATOM 828 N ASP A 74 -0.129 0.722 -7.120 1.00 0.00 N ATOM 829 CA ASP A 74 0.361 1.551 -8.215 1.00 0.00 C ATOM 830 C ASP A 74 -0.391 2.879 -8.304 1.00 0.00 C ATOM 831 O ASP A 74 -1.418 3.070 -7.654 1.00 0.00 O ATOM 832 CB ASP A 74 0.237 0.789 -9.536 1.00 0.00 C ATOM 833 CG ASP A 74 -1.200 0.663 -10.006 1.00 0.00 C ATOM 834 OD1 ASP A 74 -1.884 -0.290 -9.577 1.00 0.00 O ATOM 835 OD2 ASP A 74 -1.641 1.518 -10.803 1.00 0.00 O ATOM 0 H ASP A 74 -1.115 0.855 -6.897 1.00 0.00 H new ATOM 0 HA ASP A 74 1.409 1.779 -8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.822 1.299 -10.301 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.665 -0.206 -9.418 1.00 0.00 H new ATOM 840 N ILE A 75 0.133 3.788 -9.122 1.00 0.00 N ATOM 841 CA ILE A 75 -0.480 5.100 -9.313 1.00 0.00 C ATOM 842 C ILE A 75 -0.518 5.470 -10.792 1.00 0.00 C ATOM 843 O ILE A 75 0.325 5.030 -11.570 1.00 0.00 O ATOM 844 CB ILE A 75 0.277 6.191 -8.541 1.00 0.00 C ATOM 845 CG1 ILE A 75 1.765 6.158 -8.897 1.00 0.00 C ATOM 846 CG2 ILE A 75 0.086 6.021 -7.044 1.00 0.00 C ATOM 847 CD1 ILE A 75 2.128 7.050 -10.066 1.00 0.00 C ATOM 0 H ILE A 75 0.984 3.640 -9.665 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.498 5.037 -8.927 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.129 7.161 -8.829 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.345 6.461 -8.026 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.052 5.133 -9.130 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.631 6.804 -6.516 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.975 6.091 -6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.465 5.046 -6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.198 6.976 -10.262 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.575 6.734 -10.950 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.873 8.083 -9.828 1.00 0.00 H new ATOM 859 N SER A 76 -1.507 6.275 -11.176 1.00 0.00 N ATOM 860 CA SER A 76 -1.645 6.700 -12.561 1.00 0.00 C ATOM 861 C SER A 76 -2.598 7.886 -12.679 1.00 0.00 C ATOM 862 O SER A 76 -3.037 8.449 -11.682 1.00 0.00 O ATOM 863 CB SER A 76 -2.151 5.537 -13.422 1.00 0.00 C ATOM 864 OG SER A 76 -1.282 4.422 -13.334 1.00 0.00 O ATOM 0 H SER A 76 -2.221 6.643 -10.547 1.00 0.00 H new ATOM 0 HA SER A 76 -0.664 7.012 -12.918 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.151 5.249 -13.098 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.232 5.858 -14.461 1.00 0.00 H new ATOM 0 HG SER A 76 -0.381 4.727 -13.100 1.00 0.00 H new ATOM 870 N THR A 77 -2.922 8.250 -13.923 1.00 0.00 N ATOM 871 CA THR A 77 -3.825 9.369 -14.199 1.00 0.00 C ATOM 872 C THR A 77 -3.175 10.707 -13.833 1.00 0.00 C ATOM 873 O THR A 77 -2.477 10.808 -12.830 1.00 0.00 O ATOM 874 CB THR A 77 -5.146 9.198 -13.433 1.00 0.00 C ATOM 875 OG1 THR A 77 -5.054 9.755 -12.131 1.00 0.00 O ATOM 876 CG2 THR A 77 -5.573 7.758 -13.287 1.00 0.00 C ATOM 0 H THR A 77 -2.570 7.783 -14.758 1.00 0.00 H new ATOM 0 HA THR A 77 -4.034 9.371 -15.269 1.00 0.00 H new ATOM 0 HB THR A 77 -5.891 9.721 -14.032 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.163 9.580 -11.762 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.513 7.711 -12.737 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.708 7.317 -14.274 1.00 0.00 H new ATOM 0 HG23 THR A 77 -4.807 7.205 -12.744 1.00 0.00 H new ATOM 884 N PRO A 78 -3.399 11.755 -14.660 1.00 0.00 N ATOM 885 CA PRO A 78 -2.834 13.082 -14.417 1.00 0.00 C ATOM 886 C PRO A 78 -3.296 13.690 -13.094 1.00 0.00 C ATOM 887 O PRO A 78 -2.529 14.375 -12.418 1.00 0.00 O ATOM 888 CB PRO A 78 -3.352 13.922 -15.596 1.00 0.00 C ATOM 889 CG PRO A 78 -3.756 12.933 -16.632 1.00 0.00 C ATOM 890 CD PRO A 78 -4.220 11.719 -15.880 1.00 0.00 C ATOM 0 HA PRO A 78 -1.747 13.043 -14.346 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.195 14.544 -15.296 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.579 14.592 -15.972 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -4.552 13.330 -17.262 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.920 12.691 -17.288 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.285 11.767 -15.652 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.057 10.804 -16.450 1.00 0.00 H new ATOM 898 N ILE A 79 -4.549 13.442 -12.738 1.00 0.00 N ATOM 899 CA ILE A 79 -5.108 13.964 -11.501 1.00 0.00 C ATOM 900 C ILE A 79 -4.449 13.351 -10.273 1.00 0.00 C ATOM 901 O ILE A 79 -4.685 13.784 -9.149 1.00 0.00 O ATOM 902 CB ILE A 79 -6.633 13.721 -11.425 1.00 0.00 C ATOM 903 CG1 ILE A 79 -6.965 12.262 -11.769 1.00 0.00 C ATOM 904 CG2 ILE A 79 -7.364 14.668 -12.354 1.00 0.00 C ATOM 905 CD1 ILE A 79 -7.601 11.511 -10.627 1.00 0.00 C ATOM 0 H ILE A 79 -5.198 12.881 -13.290 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.911 15.036 -11.507 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.964 13.914 -10.405 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.637 12.242 -12.627 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.051 11.749 -12.068 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.437 14.485 -12.290 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.153 15.697 -12.064 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.029 14.504 -13.378 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.810 10.487 -10.937 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.921 11.501 -9.775 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.532 12.001 -10.343 1.00 0.00 H new ATOM 917 N ASN A 80 -3.614 12.332 -10.489 1.00 0.00 N ATOM 918 CA ASN A 80 -2.912 11.662 -9.398 1.00 0.00 C ATOM 919 C ASN A 80 -3.839 10.724 -8.642 1.00 0.00 C ATOM 920 O ASN A 80 -4.402 11.081 -7.606 1.00 0.00 O ATOM 921 CB ASN A 80 -2.308 12.689 -8.437 1.00 0.00 C ATOM 922 CG ASN A 80 -1.058 12.175 -7.749 1.00 0.00 C ATOM 923 OD1 ASN A 80 -1.057 11.932 -6.541 1.00 0.00 O ATOM 924 ND2 ASN A 80 0.015 12.010 -8.517 1.00 0.00 N ATOM 0 H ASN A 80 -3.409 11.954 -11.414 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.108 11.070 -9.835 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.068 13.599 -8.987 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.049 12.957 -7.684 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.886 11.669 -8.110 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.033 12.224 -9.513 1.00 0.00 H new ATOM 931 N PHE A 81 -3.992 9.512 -9.163 1.00 0.00 N ATOM 932 CA PHE A 81 -4.845 8.510 -8.537 1.00 0.00 C ATOM 933 C PHE A 81 -4.001 7.405 -7.912 1.00 0.00 C ATOM 934 O PHE A 81 -2.994 6.984 -8.482 1.00 0.00 O ATOM 935 CB PHE A 81 -5.809 7.912 -9.562 1.00 0.00 C ATOM 936 CG PHE A 81 -7.166 7.599 -9.001 1.00 0.00 C ATOM 937 CD1 PHE A 81 -7.952 8.600 -8.453 1.00 0.00 C ATOM 938 CD2 PHE A 81 -7.657 6.304 -9.023 1.00 0.00 C ATOM 939 CE1 PHE A 81 -9.202 8.315 -7.936 1.00 0.00 C ATOM 940 CE2 PHE A 81 -8.906 6.012 -8.508 1.00 0.00 C ATOM 941 CZ PHE A 81 -9.679 7.019 -7.964 1.00 0.00 C ATOM 0 H PHE A 81 -3.535 9.199 -10.020 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.423 8.997 -7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.921 8.609 -10.393 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.374 6.999 -9.968 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.584 9.615 -8.430 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.057 5.513 -9.448 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.804 9.104 -7.511 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.277 4.998 -8.531 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.655 6.793 -7.561 1.00 0.00 H new ATOM 951 N LEU A 82 -4.415 6.941 -6.740 1.00 0.00 N ATOM 952 CA LEU A 82 -3.695 5.890 -6.042 1.00 0.00 C ATOM 953 C LEU A 82 -4.397 4.547 -6.233 1.00 0.00 C ATOM 954 O LEU A 82 -5.315 4.204 -5.488 1.00 0.00 O ATOM 955 CB LEU A 82 -3.589 6.235 -4.555 1.00 0.00 C ATOM 956 CG LEU A 82 -2.453 5.542 -3.801 1.00 0.00 C ATOM 957 CD1 LEU A 82 -2.507 4.043 -4.029 1.00 0.00 C ATOM 958 CD2 LEU A 82 -1.102 6.103 -4.226 1.00 0.00 C ATOM 0 H LEU A 82 -5.246 7.278 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.690 5.811 -6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.463 7.313 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.532 5.980 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.578 5.735 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.693 3.563 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.460 3.655 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.407 3.833 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.308 5.596 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.962 5.944 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.067 7.171 -4.010 1.00 0.00 H new ATOM 970 N CYS A 83 -3.959 3.797 -7.239 1.00 0.00 N ATOM 971 CA CYS A 83 -4.545 2.494 -7.536 1.00 0.00 C ATOM 972 C CYS A 83 -3.848 1.387 -6.751 1.00 0.00 C ATOM 973 O CYS A 83 -2.692 1.060 -7.011 1.00 0.00 O ATOM 974 CB CYS A 83 -4.458 2.203 -9.034 1.00 0.00 C ATOM 975 SG CYS A 83 -5.425 0.770 -9.565 1.00 0.00 S ATOM 0 H CYS A 83 -3.200 4.069 -7.863 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.593 2.520 -7.236 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.797 3.081 -9.584 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.414 2.043 -9.302 1.00 0.00 H new ATOM 0 HG CYS A 83 -5.289 0.606 -10.847 1.00 0.00 H new ATOM 981 N ILE A 84 -4.564 0.812 -5.791 1.00 0.00 N ATOM 982 CA ILE A 84 -4.020 -0.259 -4.967 1.00 0.00 C ATOM 983 C ILE A 84 -4.476 -1.624 -5.475 1.00 0.00 C ATOM 984 O ILE A 84 -5.665 -1.936 -5.462 1.00 0.00 O ATOM 985 CB ILE A 84 -4.447 -0.093 -3.493 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.736 1.109 -2.868 1.00 0.00 C ATOM 987 CG2 ILE A 84 -4.176 -1.364 -2.692 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.344 0.800 -2.376 1.00 0.00 C ATOM 0 H ILE A 84 -5.524 1.071 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.934 -0.200 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.522 0.088 -3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.682 1.911 -3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.333 1.480 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.487 -1.216 -1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.736 -2.193 -3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.111 -1.592 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.902 1.699 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.391 0.020 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.731 0.458 -3.210 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.519 -2.434 -5.912 1.00 0.00 N ATOM 1001 CA PHE A 85 -3.817 -3.768 -6.415 1.00 0.00 C ATOM 1002 C PHE A 85 -3.261 -4.830 -5.474 1.00 0.00 C ATOM 1003 O PHE A 85 -2.088 -5.189 -5.557 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.231 -3.951 -7.817 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.246 -3.809 -8.915 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.460 -4.473 -8.844 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -3.986 -3.011 -10.018 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.396 -4.345 -9.853 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -4.918 -2.879 -11.025 1.00 0.00 C ATOM 1010 CZ PHE A 85 -6.124 -3.547 -10.944 1.00 0.00 C ATOM 0 H PHE A 85 -2.529 -2.189 -5.928 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.900 -3.881 -6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.438 -3.218 -7.969 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.771 -4.937 -7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.677 -5.098 -7.990 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.044 -2.488 -10.089 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.338 -4.869 -9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.705 -2.252 -11.878 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.853 -3.444 -11.734 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.107 -5.323 -4.577 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.696 -6.342 -3.616 1.00 0.00 C ATOM 1022 C ILE A 86 -4.215 -7.724 -4.023 1.00 0.00 C ATOM 1023 O ILE A 86 -5.393 -8.032 -3.835 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.197 -6.008 -2.193 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -3.809 -7.118 -1.213 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.704 -5.795 -2.190 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -4.113 -6.784 0.231 1.00 0.00 C ATOM 0 H ILE A 86 -5.082 -5.034 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.606 -6.356 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.720 -5.082 -1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.337 -8.032 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.743 -7.324 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.036 -5.561 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.956 -4.969 -2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.200 -6.702 -2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.812 -7.616 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.564 -5.888 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.182 -6.607 0.346 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.343 -8.580 -4.594 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.728 -9.929 -5.027 1.00 0.00 C ATOM 1041 C PRO A 87 -4.041 -10.844 -3.849 1.00 0.00 C ATOM 1042 O PRO A 87 -3.289 -10.900 -2.878 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.494 -10.443 -5.785 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.626 -9.247 -6.000 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.926 -8.308 -4.870 1.00 0.00 C ATOM 0 HA PRO A 87 -4.634 -9.912 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.972 -11.208 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.778 -10.896 -6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.572 -9.526 -6.006 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.837 -8.780 -6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.299 -8.506 -4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.760 -7.268 -5.152 1.00 0.00 H new ATOM 1053 N THR A 88 -5.156 -11.564 -3.935 1.00 0.00 N ATOM 1054 CA THR A 88 -5.551 -12.473 -2.866 1.00 0.00 C ATOM 1055 C THR A 88 -6.746 -13.329 -3.277 1.00 0.00 C ATOM 1056 O THR A 88 -7.721 -12.828 -3.837 1.00 0.00 O ATOM 1057 CB THR A 88 -5.883 -11.681 -1.599 1.00 0.00 C ATOM 1058 OG1 THR A 88 -6.069 -12.552 -0.498 1.00 0.00 O ATOM 1059 CG2 THR A 88 -7.131 -10.833 -1.729 1.00 0.00 C ATOM 0 H THR A 88 -5.797 -11.536 -4.728 1.00 0.00 H new ATOM 0 HA THR A 88 -4.713 -13.140 -2.665 1.00 0.00 H new ATOM 0 HB THR A 88 -5.031 -11.020 -1.442 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.279 -12.027 0.303 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.307 -10.299 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.000 -10.115 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.985 -11.474 -1.947 1.00 0.00 H new ATOM 1067 N LEU A 89 -6.661 -14.624 -2.987 1.00 0.00 N ATOM 1068 CA LEU A 89 -7.732 -15.558 -3.315 1.00 0.00 C ATOM 1069 C LEU A 89 -8.671 -15.751 -2.128 1.00 0.00 C ATOM 1070 O LEU A 89 -9.813 -16.185 -2.290 1.00 0.00 O ATOM 1071 CB LEU A 89 -7.148 -16.906 -3.740 1.00 0.00 C ATOM 1072 CG LEU A 89 -6.633 -16.965 -5.179 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -5.259 -16.320 -5.281 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -6.583 -18.405 -5.669 1.00 0.00 C ATOM 0 H LEU A 89 -5.859 -15.051 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.304 -15.138 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.329 -17.158 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.913 -17.672 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.323 -16.409 -5.814 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.909 -16.371 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.323 -15.277 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.560 -16.849 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.214 -18.428 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.916 -18.984 -5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.583 -18.836 -5.633 1.00 0.00 H new ATOM 1086 N PHE A 90 -8.184 -15.426 -0.932 1.00 0.00 N ATOM 1087 CA PHE A 90 -8.976 -15.564 0.283 1.00 0.00 C ATOM 1088 C PHE A 90 -9.411 -17.010 0.485 1.00 0.00 C ATOM 1089 O PHE A 90 -10.259 -17.526 -0.244 1.00 0.00 O ATOM 1090 CB PHE A 90 -10.188 -14.629 0.238 1.00 0.00 C ATOM 1091 CG PHE A 90 -11.379 -15.112 1.019 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -11.522 -14.792 2.359 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -12.356 -15.884 0.410 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -12.616 -15.234 3.079 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -13.452 -16.329 1.124 1.00 0.00 C ATOM 1096 CZ PHE A 90 -13.582 -16.003 2.461 1.00 0.00 C ATOM 0 H PHE A 90 -7.242 -15.065 -0.781 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.356 -15.280 1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -9.891 -13.652 0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -10.484 -14.489 -0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.770 -14.190 2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.259 -16.141 -0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -12.715 -14.978 4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -14.206 -16.931 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 90 -14.438 -16.349 3.021 1.00 0.00 H new ATOM 1106 N ASP A 91 -8.818 -17.649 1.487 1.00 0.00 N ATOM 1107 CA ASP A 91 -9.118 -19.040 1.822 1.00 0.00 C ATOM 1108 C ASP A 91 -8.068 -19.590 2.783 1.00 0.00 C ATOM 1109 O ASP A 91 -8.393 -20.273 3.754 1.00 0.00 O ATOM 1110 CB ASP A 91 -9.171 -19.909 0.557 1.00 0.00 C ATOM 1111 CG ASP A 91 -9.328 -21.386 0.868 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -9.765 -21.714 1.992 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -9.015 -22.215 -0.012 1.00 0.00 O ATOM 0 H ASP A 91 -8.116 -17.220 2.090 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.095 -19.069 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.002 -19.583 -0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.259 -19.758 -0.021 1.00 0.00 H new ATOM 1118 N MET A 92 -6.804 -19.287 2.499 1.00 0.00 N ATOM 1119 CA MET A 92 -5.699 -19.748 3.330 1.00 0.00 C ATOM 1120 C MET A 92 -5.169 -18.625 4.221 1.00 0.00 C ATOM 1121 O MET A 92 -4.451 -18.876 5.188 1.00 0.00 O ATOM 1122 CB MET A 92 -4.570 -20.292 2.450 1.00 0.00 C ATOM 1123 CG MET A 92 -4.641 -21.795 2.231 1.00 0.00 C ATOM 1124 SD MET A 92 -3.301 -22.685 3.048 1.00 0.00 S ATOM 1125 CE MET A 92 -3.419 -24.283 2.251 1.00 0.00 C ATOM 0 H MET A 92 -6.521 -18.723 1.698 1.00 0.00 H new ATOM 0 HA MET A 92 -6.072 -20.545 3.973 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.600 -19.790 1.483 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.612 -20.045 2.908 1.00 0.00 H new ATOM 0 HG2 MET A 92 -5.596 -22.167 2.601 1.00 0.00 H new ATOM 0 HG3 MET A 92 -4.610 -22.004 1.162 1.00 0.00 H new ATOM 0 HE1 MET A 92 -2.653 -24.947 2.651 1.00 0.00 H new ATOM 0 HE2 MET A 92 -4.404 -24.711 2.438 1.00 0.00 H new ATOM 0 HE3 MET A 92 -3.273 -24.166 1.177 1.00 0.00 H new ATOM 1135 N ASN A 93 -5.526 -17.384 3.891 1.00 0.00 N ATOM 1136 CA ASN A 93 -5.083 -16.226 4.664 1.00 0.00 C ATOM 1137 C ASN A 93 -5.358 -16.421 6.153 1.00 0.00 C ATOM 1138 O ASN A 93 -4.522 -16.094 6.996 1.00 0.00 O ATOM 1139 CB ASN A 93 -5.782 -14.959 4.164 1.00 0.00 C ATOM 1140 CG ASN A 93 -4.857 -14.070 3.355 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -3.638 -14.111 3.520 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -5.435 -13.260 2.475 1.00 0.00 N ATOM 0 H ASN A 93 -6.120 -17.156 3.094 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.007 -16.120 4.527 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.640 -15.238 3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.166 -14.399 5.016 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.864 -12.638 1.902 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.450 -13.260 2.372 1.00 0.00 H new ATOM 1149 N ASN A 94 -6.533 -16.954 6.468 1.00 0.00 N ATOM 1150 CA ASN A 94 -6.917 -17.192 7.855 1.00 0.00 C ATOM 1151 C ASN A 94 -6.956 -15.886 8.647 1.00 0.00 C ATOM 1152 O ASN A 94 -6.901 -15.897 9.877 1.00 0.00 O ATOM 1153 CB ASN A 94 -5.946 -18.174 8.512 1.00 0.00 C ATOM 1154 CG ASN A 94 -6.659 -19.334 9.180 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -6.923 -19.307 10.382 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -6.974 -20.362 8.401 1.00 0.00 N ATOM 0 H ASN A 94 -7.236 -17.230 5.782 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.918 -17.623 7.858 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -5.258 -18.559 7.759 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -5.345 -17.646 9.252 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.454 -21.172 8.794 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -6.736 -20.342 7.409 1.00 0.00 H new ATOM 1163 N MET A 95 -7.051 -14.764 7.938 1.00 0.00 N ATOM 1164 CA MET A 95 -7.096 -13.453 8.580 1.00 0.00 C ATOM 1165 C MET A 95 -7.129 -12.341 7.537 1.00 0.00 C ATOM 1166 O MET A 95 -6.100 -11.742 7.221 1.00 0.00 O ATOM 1167 CB MET A 95 -5.890 -13.269 9.505 1.00 0.00 C ATOM 1168 CG MET A 95 -6.215 -13.485 10.976 1.00 0.00 C ATOM 1169 SD MET A 95 -5.028 -14.565 11.800 1.00 0.00 S ATOM 1170 CE MET A 95 -6.048 -15.259 13.098 1.00 0.00 C ATOM 0 H MET A 95 -7.098 -14.736 6.919 1.00 0.00 H new ATOM 0 HA MET A 95 -8.008 -13.398 9.174 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.105 -13.965 9.208 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.491 -12.263 9.373 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.237 -12.521 11.484 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.213 -13.914 11.064 1.00 0.00 H new ATOM 0 HE1 MET A 95 -5.455 -15.950 13.697 1.00 0.00 H new ATOM 0 HE2 MET A 95 -6.423 -14.457 13.734 1.00 0.00 H new ATOM 0 HE3 MET A 95 -6.888 -15.793 12.654 1.00 0.00 H new ATOM 1180 N ASP A 96 -8.316 -12.066 7.008 1.00 0.00 N ATOM 1181 CA ASP A 96 -8.483 -11.022 6.003 1.00 0.00 C ATOM 1182 C ASP A 96 -8.046 -9.668 6.550 1.00 0.00 C ATOM 1183 O ASP A 96 -8.750 -9.056 7.353 1.00 0.00 O ATOM 1184 CB ASP A 96 -9.940 -10.955 5.544 1.00 0.00 C ATOM 1185 CG ASP A 96 -10.896 -10.702 6.693 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -11.363 -11.686 7.304 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -11.178 -9.520 6.982 1.00 0.00 O ATOM 0 H ASP A 96 -9.177 -12.552 7.258 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.853 -11.269 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.049 -10.163 4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.207 -11.890 5.052 1.00 0.00 H new ATOM 1192 N LEU A 97 -6.878 -9.206 6.113 1.00 0.00 N ATOM 1193 CA LEU A 97 -6.348 -7.923 6.563 1.00 0.00 C ATOM 1194 C LEU A 97 -6.632 -6.826 5.543 1.00 0.00 C ATOM 1195 O LEU A 97 -5.848 -5.888 5.391 1.00 0.00 O ATOM 1196 CB LEU A 97 -4.842 -8.029 6.809 1.00 0.00 C ATOM 1197 CG LEU A 97 -4.447 -8.636 8.155 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -3.023 -9.168 8.103 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -4.593 -7.608 9.266 1.00 0.00 C ATOM 0 H LEU A 97 -6.282 -9.700 5.449 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.846 -7.661 7.497 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.401 -8.630 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.406 -7.033 6.735 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.117 -9.469 8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.759 -9.596 9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.950 -9.936 7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.338 -8.353 7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.308 -8.057 10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.947 -6.755 9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.629 -7.274 9.319 1.00 0.00 H new ATOM 1211 N LEU A 98 -7.757 -6.948 4.846 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.144 -5.965 3.841 1.00 0.00 C ATOM 1213 C LEU A 98 -8.845 -4.773 4.488 1.00 0.00 C ATOM 1214 O LEU A 98 -8.761 -3.649 3.996 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.058 -6.607 2.795 1.00 0.00 C ATOM 1216 CG LEU A 98 -8.348 -7.125 1.544 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -7.808 -5.967 0.720 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -7.227 -8.080 1.925 1.00 0.00 C ATOM 0 H LEU A 98 -8.417 -7.718 4.959 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.239 -5.607 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.591 -7.436 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.807 -5.876 2.492 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.071 -7.670 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.306 -6.354 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.632 -5.321 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.099 -5.395 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.732 -8.439 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.504 -7.560 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.641 -8.926 2.473 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.538 -5.030 5.594 1.00 0.00 N ATOM 1231 CA LYS A 99 -10.255 -3.980 6.309 1.00 0.00 C ATOM 1232 C LYS A 99 -9.295 -2.917 6.836 1.00 0.00 C ATOM 1233 O LYS A 99 -9.691 -1.777 7.081 1.00 0.00 O ATOM 1234 CB LYS A 99 -11.055 -4.578 7.466 1.00 0.00 C ATOM 1235 CG LYS A 99 -12.359 -3.847 7.747 1.00 0.00 C ATOM 1236 CD LYS A 99 -13.013 -4.341 9.027 1.00 0.00 C ATOM 1237 CE LYS A 99 -12.832 -3.350 10.166 1.00 0.00 C ATOM 1238 NZ LYS A 99 -13.889 -2.301 10.164 1.00 0.00 N ATOM 0 H LYS A 99 -9.618 -5.956 6.014 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.940 -3.505 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.274 -5.622 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.440 -4.566 8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.167 -2.777 7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.043 -3.988 6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.076 -4.506 8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.583 -5.302 9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.851 -3.883 11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.853 -2.878 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.729 -1.646 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.855 -1.775 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.822 -2.748 10.268 1.00 0.00 H new ATOM 1252 N GLN A 100 -8.030 -3.293 7.009 1.00 0.00 N ATOM 1253 CA GLN A 100 -7.019 -2.366 7.506 1.00 0.00 C ATOM 1254 C GLN A 100 -6.571 -1.415 6.403 1.00 0.00 C ATOM 1255 O GLN A 100 -6.228 -0.261 6.662 1.00 0.00 O ATOM 1256 CB GLN A 100 -5.816 -3.135 8.054 1.00 0.00 C ATOM 1257 CG GLN A 100 -5.006 -2.351 9.073 1.00 0.00 C ATOM 1258 CD GLN A 100 -4.617 -3.185 10.278 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -4.875 -4.388 10.322 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -3.993 -2.548 11.262 1.00 0.00 N ATOM 0 H GLN A 100 -7.682 -4.231 6.813 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.461 -1.780 8.311 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.165 -4.060 8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.167 -3.416 7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.104 -1.966 8.596 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.584 -1.488 9.405 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.800 -1.550 11.182 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.707 -3.057 12.098 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.578 -1.909 5.170 1.00 0.00 N ATOM 1270 CA ALA A 101 -6.175 -1.109 4.021 1.00 0.00 C ATOM 1271 C ALA A 101 -7.284 -0.148 3.607 1.00 0.00 C ATOM 1272 O ALA A 101 -7.019 0.937 3.087 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.802 -2.017 2.860 1.00 0.00 C ATOM 0 H ALA A 101 -6.859 -2.862 4.941 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.305 -0.517 4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.502 -1.410 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.975 -2.663 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.661 -2.629 2.586 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.528 -0.555 3.840 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.681 0.266 3.489 1.00 0.00 C ATOM 1281 C LEU A 102 -9.893 1.389 4.501 1.00 0.00 C ATOM 1282 O LEU A 102 -10.296 2.494 4.139 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.938 -0.604 3.399 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.661 -0.556 2.052 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -12.244 -1.918 1.708 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.753 0.503 2.072 1.00 0.00 C ATOM 0 H LEU A 102 -8.763 -1.449 4.271 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.487 0.721 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.663 -1.637 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.633 -0.294 4.179 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.937 -0.290 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.754 -1.863 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.442 -2.654 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.955 -2.215 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.257 0.524 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.475 0.266 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.310 1.479 2.271 1.00 0.00 H new ATOM 1298 N LEU A 103 -9.621 1.102 5.771 1.00 0.00 N ATOM 1299 CA LEU A 103 -9.791 2.095 6.827 1.00 0.00 C ATOM 1300 C LEU A 103 -8.653 3.111 6.816 1.00 0.00 C ATOM 1301 O LEU A 103 -8.836 4.264 7.185 1.00 0.00 O ATOM 1302 CB LEU A 103 -9.878 1.413 8.196 1.00 0.00 C ATOM 1303 CG LEU A 103 -8.570 0.807 8.712 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -7.698 1.880 9.346 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -8.860 -0.304 9.710 1.00 0.00 C ATOM 0 H LEU A 103 -9.284 0.195 6.093 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.724 2.627 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.233 2.142 8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.628 0.624 8.143 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.029 0.381 7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.773 1.431 9.707 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.465 2.644 8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.230 2.335 10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.921 -0.726 10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.421 0.101 10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.446 -1.085 9.225 1.00 0.00 H new ATOM 1317 N ILE A 104 -7.471 2.674 6.393 1.00 0.00 N ATOM 1318 CA ILE A 104 -6.310 3.553 6.339 1.00 0.00 C ATOM 1319 C ILE A 104 -6.403 4.519 5.161 1.00 0.00 C ATOM 1320 O ILE A 104 -6.045 5.691 5.279 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.995 2.751 6.238 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -3.787 3.688 6.323 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -4.960 1.944 4.949 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.129 3.703 7.685 1.00 0.00 C ATOM 0 H ILE A 104 -7.293 1.719 6.083 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.303 4.122 7.269 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.949 2.057 7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -3.052 3.388 5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -4.104 4.700 6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.026 1.385 4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.800 1.249 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -5.029 2.618 4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -2.281 4.388 7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.850 4.032 8.434 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.781 2.700 7.932 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.887 4.023 4.026 1.00 0.00 N ATOM 1337 CA LEU A 105 -7.025 4.851 2.832 1.00 0.00 C ATOM 1338 C LEU A 105 -8.149 5.870 3.004 1.00 0.00 C ATOM 1339 O LEU A 105 -8.062 6.982 2.491 1.00 0.00 O ATOM 1340 CB LEU A 105 -7.288 3.979 1.601 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.524 3.082 1.686 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.793 3.893 1.458 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -8.424 1.949 0.674 1.00 0.00 C ATOM 0 H LEU A 105 -7.189 3.056 3.908 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.089 5.391 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.390 4.628 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.415 3.350 1.428 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.571 2.651 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.661 3.237 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.869 4.671 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.758 4.353 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.310 1.318 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.354 2.364 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.536 1.352 0.883 1.00 0.00 H new ATOM 1355 N HIS A 106 -9.188 5.473 3.726 1.00 0.00 N ATOM 1356 CA HIS A 106 -10.328 6.361 3.967 1.00 0.00 C ATOM 1357 C HIS A 106 -9.970 7.438 4.984 1.00 0.00 C ATOM 1358 O HIS A 106 -10.297 8.607 4.804 1.00 0.00 O ATOM 1359 CB HIS A 106 -11.534 5.556 4.456 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.818 5.933 3.783 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -13.869 5.055 3.618 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -13.213 7.099 3.228 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -14.857 5.667 2.993 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.486 6.909 2.747 1.00 0.00 N ATOM 0 H HIS A 106 -9.270 4.551 4.154 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.585 6.848 3.026 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -11.344 4.496 4.290 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.642 5.696 5.532 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -12.636 8.010 3.173 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -15.807 5.227 2.728 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -15.053 7.614 2.276 1.00 0.00 H new ATOM 1373 N ASN A 107 -9.291 7.030 6.053 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.883 7.958 7.099 1.00 0.00 C ATOM 1375 C ASN A 107 -7.915 9.002 6.551 1.00 0.00 C ATOM 1376 O ASN A 107 -8.068 10.198 6.799 1.00 0.00 O ATOM 1377 CB ASN A 107 -8.239 7.200 8.262 1.00 0.00 C ATOM 1378 CG ASN A 107 -9.168 7.092 9.460 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -9.336 8.042 10.216 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -9.760 5.915 9.636 1.00 0.00 N ATOM 0 H ASN A 107 -9.013 6.062 6.216 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.773 8.472 7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.958 6.200 7.931 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.321 7.707 8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.386 5.773 10.428 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.588 5.154 8.979 1.00 0.00 H new ATOM 1387 N ASP A 108 -6.923 8.542 5.805 1.00 0.00 N ATOM 1388 CA ASP A 108 -5.927 9.431 5.218 1.00 0.00 C ATOM 1389 C ASP A 108 -6.587 10.429 4.273 1.00 0.00 C ATOM 1390 O ASP A 108 -6.163 11.583 4.173 1.00 0.00 O ATOM 1391 CB ASP A 108 -4.866 8.627 4.469 1.00 0.00 C ATOM 1392 CG ASP A 108 -3.537 8.604 5.198 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -3.511 8.179 6.371 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -2.523 9.011 4.594 1.00 0.00 O ATOM 0 H ASP A 108 -6.784 7.555 5.590 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.446 9.981 6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.219 7.605 4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.725 9.053 3.476 1.00 0.00 H new ATOM 1399 N LEU A 109 -7.633 9.984 3.586 1.00 0.00 N ATOM 1400 CA LEU A 109 -8.354 10.838 2.651 1.00 0.00 C ATOM 1401 C LEU A 109 -9.112 11.932 3.392 1.00 0.00 C ATOM 1402 O LEU A 109 -8.898 13.120 3.155 1.00 0.00 O ATOM 1403 CB LEU A 109 -9.326 10.005 1.811 1.00 0.00 C ATOM 1404 CG LEU A 109 -8.807 9.610 0.425 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -9.748 8.609 -0.227 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -8.654 10.846 -0.452 1.00 0.00 C ATOM 0 H LEU A 109 -8.001 9.035 3.660 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.626 11.308 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.574 9.098 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.252 10.567 1.689 1.00 0.00 H new ATOM 0 HG LEU A 109 -7.830 9.141 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.366 8.338 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.816 7.716 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.737 9.055 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.284 10.552 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.621 11.337 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -7.947 11.535 0.010 1.00 0.00 H new ATOM 1418 N HIS A 110 -10.005 11.523 4.289 1.00 0.00 N ATOM 1419 CA HIS A 110 -10.796 12.465 5.066 1.00 0.00 C ATOM 1420 C HIS A 110 -9.908 13.329 5.955 1.00 0.00 C ATOM 1421 O HIS A 110 -10.239 14.483 6.250 1.00 0.00 O ATOM 1422 CB HIS A 110 -11.826 11.723 5.923 1.00 0.00 C ATOM 1423 CG HIS A 110 -12.911 11.071 5.125 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -14.162 10.796 5.641 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -12.933 10.644 3.840 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -14.904 10.225 4.708 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -14.183 10.124 3.606 1.00 0.00 N ATOM 0 H HIS A 110 -10.197 10.543 4.494 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.318 13.116 4.365 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.315 10.963 6.514 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -12.275 12.425 6.626 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -12.120 10.701 3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.926 9.897 4.827 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -14.503 9.724 2.724 1.00 0.00 H new ATOM 1436 N GLU A 111 -8.783 12.770 6.381 1.00 0.00 N ATOM 1437 CA GLU A 111 -7.844 13.488 7.237 1.00 0.00 C ATOM 1438 C GLU A 111 -7.359 14.774 6.568 1.00 0.00 C ATOM 1439 O GLU A 111 -6.901 15.694 7.239 1.00 0.00 O ATOM 1440 CB GLU A 111 -6.655 12.599 7.585 1.00 0.00 C ATOM 1441 CG GLU A 111 -6.793 11.887 8.921 1.00 0.00 C ATOM 1442 CD GLU A 111 -5.815 12.401 9.961 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -4.654 12.685 9.595 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -6.211 12.519 11.140 1.00 0.00 O ATOM 0 H GLU A 111 -8.497 11.819 6.148 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.367 13.757 8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.527 11.855 6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.750 13.207 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.810 12.012 9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.635 10.818 8.777 1.00 0.00 H new ATOM 1451 N TYR A 112 -7.455 14.821 5.241 1.00 0.00 N ATOM 1452 CA TYR A 112 -7.026 15.992 4.490 1.00 0.00 C ATOM 1453 C TYR A 112 -8.033 16.335 3.399 1.00 0.00 C ATOM 1454 O TYR A 112 -8.780 17.309 3.517 1.00 0.00 O ATOM 1455 CB TYR A 112 -5.652 15.752 3.869 1.00 0.00 C ATOM 1456 CG TYR A 112 -4.548 15.550 4.888 1.00 0.00 C ATOM 1457 CD1 TYR A 112 -3.883 16.639 5.438 1.00 0.00 C ATOM 1458 CD2 TYR A 112 -4.189 14.276 5.306 1.00 0.00 C ATOM 1459 CE1 TYR A 112 -2.877 16.460 6.370 1.00 0.00 C ATOM 1460 CE2 TYR A 112 -3.176 14.090 6.236 1.00 0.00 C ATOM 1461 CZ TYR A 112 -2.532 15.192 6.767 1.00 0.00 C ATOM 1462 OH TYR A 112 -1.533 15.005 7.696 1.00 0.00 O ATOM 0 H TYR A 112 -7.825 14.063 4.668 1.00 0.00 H new ATOM 0 HA TYR A 112 -6.963 16.832 5.182 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.703 14.875 3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -5.397 16.601 3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.155 17.639 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.705 13.418 4.902 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.364 17.315 6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.893 13.094 6.542 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.418 14.046 7.864 1.00 0.00 H new ATOM 1472 N VAL A 113 -8.059 15.526 2.342 1.00 0.00 N ATOM 1473 CA VAL A 113 -8.977 15.732 1.222 1.00 0.00 C ATOM 1474 C VAL A 113 -9.068 17.214 0.838 1.00 0.00 C ATOM 1475 O VAL A 113 -10.144 17.799 0.841 1.00 0.00 O ATOM 1476 CB VAL A 113 -10.380 15.194 1.545 1.00 0.00 C ATOM 1477 CG1 VAL A 113 -10.926 15.832 2.811 1.00 0.00 C ATOM 1478 CG2 VAL A 113 -11.328 15.412 0.373 1.00 0.00 C ATOM 0 H VAL A 113 -7.450 14.715 2.237 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.575 15.177 0.375 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.299 14.121 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.920 15.435 3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.263 15.607 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.987 16.912 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.314 15.023 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.402 16.478 0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.947 14.891 -0.505 1.00 0.00 H new ATOM 1488 N GLU A 114 -7.925 17.802 0.507 1.00 0.00 N ATOM 1489 CA GLU A 114 -7.865 19.208 0.119 1.00 0.00 C ATOM 1490 C GLU A 114 -7.455 19.348 -1.341 1.00 0.00 C ATOM 1491 O GLU A 114 -6.269 19.435 -1.655 1.00 0.00 O ATOM 1492 CB GLU A 114 -6.889 19.970 1.019 1.00 0.00 C ATOM 1493 CG GLU A 114 -7.403 21.319 1.467 1.00 0.00 C ATOM 1494 CD GLU A 114 -8.529 21.214 2.474 1.00 0.00 C ATOM 1495 OE1 GLU A 114 -8.249 20.912 3.654 1.00 0.00 O ATOM 1496 OE2 GLU A 114 -9.701 21.425 2.086 1.00 0.00 O ATOM 0 H GLU A 114 -7.023 17.326 0.499 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.860 19.637 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.670 19.364 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.949 20.108 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.583 21.888 1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.750 21.877 0.598 1.00 0.00 H new TER 1503 GLU A 114