USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 623 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 23 SER OG : rot -82:sc= 0.299 USER MOD Set 1.2: A 24 GLN : amide:sc= -2.35 K(o=-2,f=-7.3!) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.0708 (180deg=-0.471) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.35 (180deg=-0.874) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 46:sc= 1.04 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 15 SER OG : rot -140:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.065) USER MOD Single : A 19 LYS NZ :NH3+ -128:sc= 0.389 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0625) USER MOD Single : A 30 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.14) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= 0.0638 (180deg=-1.33) USER MOD Single : A 50 MET CE :methyl -151:sc= -5.6! (180deg=-9.37!) USER MOD Single : A 51 GLN : amide:sc= -0.22 K(o=-0.22,f=-2.4!) USER MOD Single : A 54 SER OG : rot -0:sc= 1.22 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 38:sc= 0.641 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.108 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.621 6.164 -14.669 1.00 0.00 N ATOM 2 CA MET A 1 2.373 5.029 -14.074 1.00 0.00 C ATOM 3 C MET A 1 3.317 5.508 -12.976 1.00 0.00 C ATOM 4 O MET A 1 4.492 5.778 -13.227 1.00 0.00 O ATOM 5 CB MET A 1 3.164 4.333 -15.184 1.00 0.00 C ATOM 6 CG MET A 1 3.459 2.871 -14.894 1.00 0.00 C ATOM 7 SD MET A 1 3.821 1.926 -16.387 1.00 0.00 S ATOM 8 CE MET A 1 2.200 1.863 -17.148 1.00 0.00 C ATOM 0 H1 MET A 1 0.754 5.808 -15.120 1.00 0.00 H new ATOM 0 H2 MET A 1 1.369 6.843 -13.923 1.00 0.00 H new ATOM 0 H3 MET A 1 2.213 6.637 -15.382 1.00 0.00 H new ATOM 0 HA MET A 1 1.669 4.332 -13.620 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.605 4.404 -16.117 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.105 4.862 -15.335 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.306 2.804 -14.212 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.604 2.426 -14.385 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.149 1.011 -17.826 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.439 1.757 -16.375 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.024 2.782 -17.707 1.00 0.00 H new ATOM 20 N ARG A 2 2.795 5.611 -11.759 1.00 0.00 N ATOM 21 CA ARG A 2 3.590 6.057 -10.620 1.00 0.00 C ATOM 22 C ARG A 2 3.562 5.023 -9.499 1.00 0.00 C ATOM 23 O ARG A 2 2.499 4.524 -9.128 1.00 0.00 O ATOM 24 CB ARG A 2 3.072 7.401 -10.104 1.00 0.00 C ATOM 25 CG ARG A 2 2.848 8.428 -11.201 1.00 0.00 C ATOM 26 CD ARG A 2 3.991 9.427 -11.275 1.00 0.00 C ATOM 27 NE ARG A 2 3.529 10.764 -11.639 1.00 0.00 N ATOM 28 CZ ARG A 2 4.341 11.797 -11.851 1.00 0.00 C ATOM 29 NH1 ARG A 2 5.655 11.652 -11.736 1.00 0.00 N ATOM 30 NH2 ARG A 2 3.837 12.979 -12.178 1.00 0.00 N ATOM 0 H ARG A 2 1.824 5.392 -11.535 1.00 0.00 H new ATOM 0 HA ARG A 2 4.621 6.177 -10.953 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.134 7.240 -9.572 1.00 0.00 H new ATOM 0 HB3 ARG A 2 3.783 7.802 -9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.745 7.920 -12.160 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.913 8.957 -11.019 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.498 9.469 -10.311 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.724 9.085 -12.006 1.00 0.00 H new ATOM 0 HE ARG A 2 2.525 10.915 -11.736 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.048 10.745 -11.484 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.272 12.447 -11.900 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.828 13.096 -12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.459 13.771 -12.341 1.00 0.00 H new ATOM 44 N ASN A 3 4.735 4.707 -8.962 1.00 0.00 N ATOM 45 CA ASN A 3 4.844 3.733 -7.884 1.00 0.00 C ATOM 46 C ASN A 3 4.400 4.339 -6.557 1.00 0.00 C ATOM 47 O ASN A 3 4.691 5.499 -6.264 1.00 0.00 O ATOM 48 CB ASN A 3 6.283 3.225 -7.771 1.00 0.00 C ATOM 49 CG ASN A 3 6.485 1.900 -8.481 1.00 0.00 C ATOM 50 OD1 ASN A 3 5.784 0.925 -8.212 1.00 0.00 O ATOM 51 ND2 ASN A 3 7.448 1.859 -9.394 1.00 0.00 N ATOM 0 H ASN A 3 5.624 5.112 -9.256 1.00 0.00 H new ATOM 0 HA ASN A 3 4.188 2.895 -8.117 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.962 3.967 -8.192 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.545 3.114 -6.719 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.631 0.995 -9.904 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.005 2.692 -9.585 1.00 0.00 H new ATOM 58 N ILE A 4 3.693 3.547 -5.758 1.00 0.00 N ATOM 59 CA ILE A 4 3.208 4.005 -4.462 1.00 0.00 C ATOM 60 C ILE A 4 4.014 3.384 -3.325 1.00 0.00 C ATOM 61 O ILE A 4 4.148 2.163 -3.241 1.00 0.00 O ATOM 62 CB ILE A 4 1.717 3.667 -4.266 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.899 4.140 -5.469 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.194 4.298 -2.984 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.379 3.358 -5.675 1.00 0.00 C ATOM 0 H ILE A 4 3.443 2.585 -5.986 1.00 0.00 H new ATOM 0 HA ILE A 4 3.330 5.088 -4.443 1.00 0.00 H new ATOM 0 HB ILE A 4 1.615 2.585 -4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.654 5.194 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.511 4.063 -6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.140 4.050 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.759 3.916 -2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.308 5.381 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.908 3.748 -6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.140 2.307 -5.836 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.011 3.455 -4.792 1.00 0.00 H new ATOM 77 N TYR A 5 4.547 4.233 -2.453 1.00 0.00 N ATOM 78 CA TYR A 5 5.341 3.770 -1.321 1.00 0.00 C ATOM 79 C TYR A 5 4.572 3.939 -0.013 1.00 0.00 C ATOM 80 O TYR A 5 4.442 5.049 0.503 1.00 0.00 O ATOM 81 CB TYR A 5 6.662 4.538 -1.251 1.00 0.00 C ATOM 82 CG TYR A 5 7.738 3.827 -0.462 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.568 3.555 0.890 1.00 0.00 C ATOM 84 CD2 TYR A 5 8.922 3.427 -1.068 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.549 2.905 1.616 1.00 0.00 C ATOM 86 CE2 TYR A 5 9.907 2.776 -0.350 1.00 0.00 C ATOM 87 CZ TYR A 5 9.716 2.519 0.991 1.00 0.00 C ATOM 88 OH TYR A 5 10.695 1.872 1.710 1.00 0.00 O ATOM 0 H TYR A 5 4.443 5.246 -2.509 1.00 0.00 H new ATOM 0 HA TYR A 5 5.551 2.710 -1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.023 4.714 -2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.481 5.515 -0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.655 3.856 1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.075 3.628 -2.118 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.402 2.701 2.666 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.821 2.470 -0.837 1.00 0.00 H new ATOM 0 HH TYR A 5 11.452 1.668 1.122 1.00 0.00 H new ATOM 98 N VAL A 6 4.064 2.830 0.517 1.00 0.00 N ATOM 99 CA VAL A 6 3.308 2.856 1.764 1.00 0.00 C ATOM 100 C VAL A 6 4.054 2.124 2.876 1.00 0.00 C ATOM 101 O VAL A 6 4.515 0.997 2.691 1.00 0.00 O ATOM 102 CB VAL A 6 1.914 2.223 1.587 1.00 0.00 C ATOM 103 CG1 VAL A 6 2.031 0.759 1.192 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.090 2.377 2.858 1.00 0.00 C ATOM 0 H VAL A 6 4.162 1.903 0.102 1.00 0.00 H new ATOM 0 HA VAL A 6 3.190 3.903 2.042 1.00 0.00 H new ATOM 0 HB VAL A 6 1.400 2.749 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.035 0.334 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.575 0.678 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.568 0.214 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.109 1.924 2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.600 1.882 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.970 3.436 3.088 1.00 0.00 H new ATOM 114 N GLY A 7 4.167 2.771 4.031 1.00 0.00 N ATOM 115 CA GLY A 7 4.858 2.167 5.158 1.00 0.00 C ATOM 116 C GLY A 7 3.963 2.017 6.372 1.00 0.00 C ATOM 117 O GLY A 7 2.763 2.283 6.305 1.00 0.00 O ATOM 0 H GLY A 7 3.793 3.703 4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.237 1.187 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.722 2.777 5.420 1.00 0.00 H new ATOM 121 N ASN A 8 4.547 1.587 7.487 1.00 0.00 N ATOM 122 CA ASN A 8 3.794 1.402 8.722 1.00 0.00 C ATOM 123 C ASN A 8 2.666 0.392 8.525 1.00 0.00 C ATOM 124 O ASN A 8 1.565 0.563 9.050 1.00 0.00 O ATOM 125 CB ASN A 8 3.224 2.740 9.202 1.00 0.00 C ATOM 126 CG ASN A 8 4.096 3.396 10.256 1.00 0.00 C ATOM 127 OD1 ASN A 8 3.714 3.493 11.422 1.00 0.00 O ATOM 128 ND2 ASN A 8 5.275 3.851 9.848 1.00 0.00 N ATOM 0 H ASN A 8 5.539 1.360 7.560 1.00 0.00 H new ATOM 0 HA ASN A 8 4.474 1.014 9.480 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.119 3.413 8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.225 2.581 9.608 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.905 4.302 10.511 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.551 3.749 8.871 1.00 0.00 H new ATOM 135 N LEU A 9 2.948 -0.662 7.766 1.00 0.00 N ATOM 136 CA LEU A 9 1.958 -1.699 7.501 1.00 0.00 C ATOM 137 C LEU A 9 1.899 -2.700 8.650 1.00 0.00 C ATOM 138 O LEU A 9 2.646 -2.589 9.622 1.00 0.00 O ATOM 139 CB LEU A 9 2.282 -2.423 6.193 1.00 0.00 C ATOM 140 CG LEU A 9 1.917 -1.657 4.920 1.00 0.00 C ATOM 141 CD1 LEU A 9 2.200 -2.503 3.689 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.458 -1.231 4.953 1.00 0.00 C ATOM 0 H LEU A 9 3.854 -0.820 7.324 1.00 0.00 H new ATOM 0 HA LEU A 9 0.983 -1.220 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.349 -2.643 6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.759 -3.379 6.186 1.00 0.00 H new ATOM 0 HG LEU A 9 2.534 -0.760 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.934 -1.942 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.260 -2.757 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.609 -3.418 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.217 -0.688 4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.177 -2.114 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.287 -0.586 5.815 1.00 0.00 H new ATOM 154 N VAL A 10 1.004 -3.676 8.532 1.00 0.00 N ATOM 155 CA VAL A 10 0.846 -4.697 9.561 1.00 0.00 C ATOM 156 C VAL A 10 0.530 -6.056 8.936 1.00 0.00 C ATOM 157 O VAL A 10 0.247 -6.147 7.741 1.00 0.00 O ATOM 158 CB VAL A 10 -0.266 -4.308 10.562 1.00 0.00 C ATOM 159 CG1 VAL A 10 -1.647 -4.493 9.949 1.00 0.00 C ATOM 160 CG2 VAL A 10 -0.134 -5.105 11.851 1.00 0.00 C ATOM 0 H VAL A 10 0.377 -3.781 7.734 1.00 0.00 H new ATOM 0 HA VAL A 10 1.790 -4.770 10.100 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.147 -3.251 10.801 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.409 -4.212 10.676 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.740 -3.863 9.064 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.783 -5.537 9.667 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.927 -4.815 12.541 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.216 -6.169 11.631 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.835 -4.902 12.306 1.00 0.00 H new ATOM 170 N TYR A 11 0.584 -7.109 9.750 1.00 0.00 N ATOM 171 CA TYR A 11 0.306 -8.465 9.279 1.00 0.00 C ATOM 172 C TYR A 11 -0.930 -8.504 8.383 1.00 0.00 C ATOM 173 O TYR A 11 -1.018 -9.319 7.466 1.00 0.00 O ATOM 174 CB TYR A 11 0.112 -9.408 10.470 1.00 0.00 C ATOM 175 CG TYR A 11 1.173 -9.264 11.537 1.00 0.00 C ATOM 176 CD1 TYR A 11 2.499 -9.586 11.276 1.00 0.00 C ATOM 177 CD2 TYR A 11 0.848 -8.804 12.808 1.00 0.00 C ATOM 178 CE1 TYR A 11 3.470 -9.454 12.250 1.00 0.00 C ATOM 179 CE2 TYR A 11 1.814 -8.669 13.786 1.00 0.00 C ATOM 180 CZ TYR A 11 3.123 -8.995 13.503 1.00 0.00 C ATOM 181 OH TYR A 11 4.088 -8.862 14.475 1.00 0.00 O ATOM 0 H TYR A 11 0.818 -7.049 10.741 1.00 0.00 H new ATOM 0 HA TYR A 11 1.162 -8.793 8.690 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.866 -9.222 10.914 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.108 -10.437 10.111 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.775 -9.945 10.296 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.177 -8.548 13.034 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.496 -9.709 12.031 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.545 -8.310 14.768 1.00 0.00 H new ATOM 0 HH TYR A 11 3.678 -8.526 15.299 1.00 0.00 H new ATOM 191 N SER A 12 -1.881 -7.615 8.655 1.00 0.00 N ATOM 192 CA SER A 12 -3.110 -7.548 7.871 1.00 0.00 C ATOM 193 C SER A 12 -3.926 -6.313 8.241 1.00 0.00 C ATOM 194 O SER A 12 -4.929 -6.408 8.949 1.00 0.00 O ATOM 195 CB SER A 12 -3.947 -8.812 8.086 1.00 0.00 C ATOM 196 OG SER A 12 -3.671 -9.782 7.092 1.00 0.00 O ATOM 0 H SER A 12 -1.824 -6.932 9.411 1.00 0.00 H new ATOM 0 HA SER A 12 -2.836 -7.477 6.818 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.737 -9.227 9.072 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.007 -8.558 8.066 1.00 0.00 H new ATOM 0 HG SER A 12 -2.702 -9.862 6.973 1.00 0.00 H new ATOM 202 N ALA A 13 -3.490 -5.154 7.757 1.00 0.00 N ATOM 203 CA ALA A 13 -4.180 -3.901 8.038 1.00 0.00 C ATOM 204 C ALA A 13 -5.374 -3.710 7.109 1.00 0.00 C ATOM 205 O ALA A 13 -6.512 -3.594 7.563 1.00 0.00 O ATOM 206 CB ALA A 13 -3.216 -2.729 7.912 1.00 0.00 C ATOM 0 H ALA A 13 -2.662 -5.057 7.169 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.554 -3.942 9.061 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.744 -1.799 8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.398 -2.852 8.622 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.815 -2.695 6.899 1.00 0.00 H new ATOM 212 N THR A 14 -5.107 -3.677 5.806 1.00 0.00 N ATOM 213 CA THR A 14 -6.163 -3.499 4.812 1.00 0.00 C ATOM 214 C THR A 14 -5.584 -3.407 3.401 1.00 0.00 C ATOM 215 O THR A 14 -6.223 -3.816 2.432 1.00 0.00 O ATOM 216 CB THR A 14 -6.983 -2.243 5.121 1.00 0.00 C ATOM 217 OG1 THR A 14 -6.260 -1.366 5.967 1.00 0.00 O ATOM 218 CG2 THR A 14 -8.305 -2.542 5.793 1.00 0.00 C ATOM 0 H THR A 14 -4.170 -3.771 5.414 1.00 0.00 H new ATOM 0 HA THR A 14 -6.814 -4.372 4.860 1.00 0.00 H new ATOM 0 HB THR A 14 -7.181 -1.783 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.800 -0.569 6.151 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.835 -1.609 5.984 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.908 -3.176 5.143 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.125 -3.057 6.737 1.00 0.00 H new ATOM 226 N SER A 15 -4.374 -2.863 3.290 1.00 0.00 N ATOM 227 CA SER A 15 -3.717 -2.716 1.994 1.00 0.00 C ATOM 228 C SER A 15 -3.726 -4.027 1.217 1.00 0.00 C ATOM 229 O SER A 15 -4.181 -4.079 0.074 1.00 0.00 O ATOM 230 CB SER A 15 -2.280 -2.226 2.178 1.00 0.00 C ATOM 231 OG SER A 15 -2.233 -1.079 3.008 1.00 0.00 O ATOM 0 H SER A 15 -3.830 -2.517 4.080 1.00 0.00 H new ATOM 0 HA SER A 15 -4.275 -1.977 1.419 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.675 -3.020 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.845 -1.993 1.206 1.00 0.00 H new ATOM 0 HG SER A 15 -1.574 -0.446 2.654 1.00 0.00 H new ATOM 237 N GLU A 16 -3.232 -5.087 1.845 1.00 0.00 N ATOM 238 CA GLU A 16 -3.195 -6.397 1.208 1.00 0.00 C ATOM 239 C GLU A 16 -4.608 -6.946 1.019 1.00 0.00 C ATOM 240 O GLU A 16 -4.815 -7.915 0.288 1.00 0.00 O ATOM 241 CB GLU A 16 -2.363 -7.373 2.041 1.00 0.00 C ATOM 242 CG GLU A 16 -2.942 -7.644 3.420 1.00 0.00 C ATOM 243 CD GLU A 16 -4.040 -8.689 3.394 1.00 0.00 C ATOM 244 OE1 GLU A 16 -3.719 -9.884 3.224 1.00 0.00 O ATOM 245 OE2 GLU A 16 -5.221 -8.312 3.545 1.00 0.00 O ATOM 0 H GLU A 16 -2.853 -5.065 2.792 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.731 -6.284 0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.276 -8.316 1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.354 -6.975 2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.145 -7.975 4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.338 -6.716 3.833 1.00 0.00 H new ATOM 252 N GLN A 17 -5.578 -6.324 1.686 1.00 0.00 N ATOM 253 CA GLN A 17 -6.969 -6.752 1.592 1.00 0.00 C ATOM 254 C GLN A 17 -7.695 -6.027 0.463 1.00 0.00 C ATOM 255 O GLN A 17 -8.521 -6.615 -0.235 1.00 0.00 O ATOM 256 CB GLN A 17 -7.691 -6.505 2.918 1.00 0.00 C ATOM 257 CG GLN A 17 -9.143 -6.953 2.911 1.00 0.00 C ATOM 258 CD GLN A 17 -10.100 -5.846 3.309 1.00 0.00 C ATOM 259 OE1 GLN A 17 -11.004 -6.053 4.118 1.00 0.00 O ATOM 260 NE2 GLN A 17 -9.904 -4.662 2.740 1.00 0.00 N ATOM 0 H GLN A 17 -5.425 -5.522 2.297 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.976 -7.820 1.373 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.161 -7.029 3.714 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.648 -5.441 3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.403 -7.312 1.915 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.263 -7.794 3.594 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.141 -4.536 2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.516 -3.879 2.969 1.00 0.00 H new ATOM 269 N VAL A 18 -7.391 -4.744 0.297 1.00 0.00 N ATOM 270 CA VAL A 18 -8.024 -3.935 -0.738 1.00 0.00 C ATOM 271 C VAL A 18 -7.329 -4.094 -2.091 1.00 0.00 C ATOM 272 O VAL A 18 -7.835 -3.627 -3.111 1.00 0.00 O ATOM 273 CB VAL A 18 -8.037 -2.442 -0.351 1.00 0.00 C ATOM 274 CG1 VAL A 18 -6.619 -1.903 -0.227 1.00 0.00 C ATOM 275 CG2 VAL A 18 -8.838 -1.635 -1.361 1.00 0.00 C ATOM 0 H VAL A 18 -6.710 -4.242 0.866 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.049 -4.295 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.519 -2.345 0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.653 -0.848 0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.084 -2.460 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.103 -2.014 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.836 -0.584 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.389 -1.740 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.864 -2.002 -1.388 1.00 0.00 H new ATOM 285 N LYS A 19 -6.172 -4.751 -2.101 1.00 0.00 N ATOM 286 CA LYS A 19 -5.425 -4.958 -3.337 1.00 0.00 C ATOM 287 C LYS A 19 -6.280 -5.678 -4.377 1.00 0.00 C ATOM 288 O LYS A 19 -6.298 -5.300 -5.549 1.00 0.00 O ATOM 289 CB LYS A 19 -4.150 -5.758 -3.065 1.00 0.00 C ATOM 290 CG LYS A 19 -4.411 -7.177 -2.590 1.00 0.00 C ATOM 291 CD LYS A 19 -3.129 -7.857 -2.139 1.00 0.00 C ATOM 292 CE LYS A 19 -3.115 -9.328 -2.522 1.00 0.00 C ATOM 293 NZ LYS A 19 -4.053 -10.129 -1.687 1.00 0.00 N ATOM 0 H LYS A 19 -5.733 -5.148 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.151 -3.979 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.552 -5.793 -3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.557 -5.236 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.125 -7.161 -1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.866 -7.754 -3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.272 -7.355 -2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.025 -7.760 -1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.385 -9.432 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.105 -9.722 -2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.548 -10.942 -1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.428 -9.536 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.839 -10.469 -2.277 1.00 0.00 H new ATOM 307 N GLU A 20 -6.989 -6.714 -3.941 1.00 0.00 N ATOM 308 CA GLU A 20 -7.848 -7.483 -4.833 1.00 0.00 C ATOM 309 C GLU A 20 -8.918 -6.590 -5.454 1.00 0.00 C ATOM 310 O GLU A 20 -9.330 -6.797 -6.595 1.00 0.00 O ATOM 311 CB GLU A 20 -8.507 -8.636 -4.074 1.00 0.00 C ATOM 312 CG GLU A 20 -9.271 -8.191 -2.839 1.00 0.00 C ATOM 313 CD GLU A 20 -9.949 -9.345 -2.125 1.00 0.00 C ATOM 314 OE1 GLU A 20 -9.244 -10.109 -1.432 1.00 0.00 O ATOM 315 OE2 GLU A 20 -11.182 -9.484 -2.258 1.00 0.00 O ATOM 0 H GLU A 20 -6.985 -7.040 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.229 -7.892 -5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.189 -9.159 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.740 -9.351 -3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.586 -7.695 -2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.022 -7.455 -3.126 1.00 0.00 H new ATOM 322 N LEU A 21 -9.360 -5.595 -4.693 1.00 0.00 N ATOM 323 CA LEU A 21 -10.378 -4.664 -5.165 1.00 0.00 C ATOM 324 C LEU A 21 -9.741 -3.496 -5.911 1.00 0.00 C ATOM 325 O LEU A 21 -10.361 -2.894 -6.788 1.00 0.00 O ATOM 326 CB LEU A 21 -11.205 -4.142 -3.988 1.00 0.00 C ATOM 327 CG LEU A 21 -12.552 -3.524 -4.365 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.554 -3.698 -3.234 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.383 -2.051 -4.709 1.00 0.00 C ATOM 0 H LEU A 21 -9.029 -5.412 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.034 -5.198 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.381 -4.965 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.617 -3.396 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.935 -4.041 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.507 -3.252 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.696 -4.760 -3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.178 -3.207 -2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.351 -1.626 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.978 -1.520 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.699 -1.950 -5.551 1.00 0.00 H new ATOM 341 N PHE A 22 -8.498 -3.182 -5.555 1.00 0.00 N ATOM 342 CA PHE A 22 -7.772 -2.087 -6.188 1.00 0.00 C ATOM 343 C PHE A 22 -7.711 -2.269 -7.703 1.00 0.00 C ATOM 344 O PHE A 22 -7.545 -1.302 -8.446 1.00 0.00 O ATOM 345 CB PHE A 22 -6.355 -1.993 -5.614 1.00 0.00 C ATOM 346 CG PHE A 22 -6.032 -0.649 -5.027 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.388 0.517 -5.688 1.00 0.00 C ATOM 348 CD2 PHE A 22 -5.371 -0.550 -3.813 1.00 0.00 C ATOM 349 CE1 PHE A 22 -6.092 1.753 -5.149 1.00 0.00 C ATOM 350 CE2 PHE A 22 -5.071 0.684 -3.269 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.432 1.838 -3.938 1.00 0.00 C ATOM 0 H PHE A 22 -7.973 -3.672 -4.831 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.307 -1.161 -5.978 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.232 -2.755 -4.844 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.637 -2.218 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.903 0.457 -6.636 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.087 -1.449 -3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.376 2.653 -5.674 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.555 0.747 -2.322 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.199 2.804 -3.515 1.00 0.00 H new ATOM 361 N SER A 23 -7.845 -3.513 -8.155 1.00 0.00 N ATOM 362 CA SER A 23 -7.804 -3.815 -9.582 1.00 0.00 C ATOM 363 C SER A 23 -9.146 -3.517 -10.245 1.00 0.00 C ATOM 364 O SER A 23 -9.209 -3.230 -11.439 1.00 0.00 O ATOM 365 CB SER A 23 -7.427 -5.281 -9.802 1.00 0.00 C ATOM 366 OG SER A 23 -7.597 -5.655 -11.158 1.00 0.00 O ATOM 0 H SER A 23 -7.983 -4.326 -7.555 1.00 0.00 H new ATOM 0 HA SER A 23 -7.047 -3.178 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.391 -5.441 -9.505 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.043 -5.917 -9.166 1.00 0.00 H new ATOM 0 HG SER A 23 -8.540 -5.866 -11.324 1.00 0.00 H new ATOM 372 N GLN A 24 -10.217 -3.589 -9.462 1.00 0.00 N ATOM 373 CA GLN A 24 -11.557 -3.327 -9.976 1.00 0.00 C ATOM 374 C GLN A 24 -11.921 -1.850 -9.844 1.00 0.00 C ATOM 375 O GLN A 24 -12.816 -1.359 -10.532 1.00 0.00 O ATOM 376 CB GLN A 24 -12.585 -4.185 -9.237 1.00 0.00 C ATOM 377 CG GLN A 24 -12.764 -5.570 -9.836 1.00 0.00 C ATOM 378 CD GLN A 24 -11.454 -6.325 -9.959 1.00 0.00 C ATOM 379 OE1 GLN A 24 -10.529 -5.880 -10.639 1.00 0.00 O ATOM 380 NE2 GLN A 24 -11.368 -7.474 -9.299 1.00 0.00 N ATOM 0 H GLN A 24 -10.184 -3.826 -8.471 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.566 -3.587 -11.034 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.281 -4.285 -8.195 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.546 -3.670 -9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.453 -6.144 -9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.221 -5.480 -10.821 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.159 -7.806 -8.747 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.511 -8.025 -9.344 1.00 0.00 H new ATOM 389 N PHE A 25 -11.225 -1.144 -8.955 1.00 0.00 N ATOM 390 CA PHE A 25 -11.483 0.274 -8.737 1.00 0.00 C ATOM 391 C PHE A 25 -10.340 1.132 -9.273 1.00 0.00 C ATOM 392 O PHE A 25 -10.559 2.247 -9.747 1.00 0.00 O ATOM 393 CB PHE A 25 -11.689 0.550 -7.245 1.00 0.00 C ATOM 394 CG PHE A 25 -13.085 0.984 -6.903 1.00 0.00 C ATOM 395 CD1 PHE A 25 -14.123 0.067 -6.880 1.00 0.00 C ATOM 396 CD2 PHE A 25 -13.358 2.309 -6.606 1.00 0.00 C ATOM 397 CE1 PHE A 25 -15.410 0.463 -6.567 1.00 0.00 C ATOM 398 CE2 PHE A 25 -14.643 2.712 -6.291 1.00 0.00 C ATOM 399 CZ PHE A 25 -15.670 1.787 -6.271 1.00 0.00 C ATOM 0 H PHE A 25 -10.480 -1.532 -8.376 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.390 0.538 -9.280 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -11.449 -0.351 -6.680 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -10.989 1.322 -6.926 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -13.925 -0.970 -7.109 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.559 3.035 -6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -16.211 -0.262 -6.554 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -14.844 3.748 -6.061 1.00 0.00 H new ATOM 0 HZ PHE A 25 -16.674 2.099 -6.024 1.00 0.00 H new ATOM 409 N GLY A 26 -9.120 0.611 -9.190 1.00 0.00 N ATOM 410 CA GLY A 26 -7.963 1.350 -9.666 1.00 0.00 C ATOM 411 C GLY A 26 -7.228 0.647 -10.793 1.00 0.00 C ATOM 412 O GLY A 26 -6.451 1.270 -11.515 1.00 0.00 O ATOM 0 H GLY A 26 -8.911 -0.309 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.284 2.334 -10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.275 1.510 -8.836 1.00 0.00 H new ATOM 416 N LYS A 27 -7.469 -0.653 -10.943 1.00 0.00 N ATOM 417 CA LYS A 27 -6.816 -1.433 -11.989 1.00 0.00 C ATOM 418 C LYS A 27 -5.313 -1.515 -11.743 1.00 0.00 C ATOM 419 O LYS A 27 -4.512 -1.382 -12.670 1.00 0.00 O ATOM 420 CB LYS A 27 -7.089 -0.819 -13.364 1.00 0.00 C ATOM 421 CG LYS A 27 -7.212 -1.846 -14.477 1.00 0.00 C ATOM 422 CD LYS A 27 -7.856 -1.249 -15.717 1.00 0.00 C ATOM 423 CE LYS A 27 -9.354 -1.066 -15.535 1.00 0.00 C ATOM 424 NZ LYS A 27 -10.084 -2.362 -15.599 1.00 0.00 N ATOM 0 H LYS A 27 -8.110 -1.186 -10.355 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.227 -2.442 -11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.009 -0.236 -13.316 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.285 -0.125 -13.609 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.224 -2.231 -14.729 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.805 -2.692 -14.129 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.395 -0.286 -15.940 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.669 -1.897 -16.573 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.547 -0.588 -14.575 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.734 -0.397 -16.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.108 -2.183 -15.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.802 -2.877 -16.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.853 -2.932 -14.761 1.00 0.00 H new ATOM 438 N VAL A 28 -4.938 -1.735 -10.487 1.00 0.00 N ATOM 439 CA VAL A 28 -3.533 -1.835 -10.109 1.00 0.00 C ATOM 440 C VAL A 28 -2.788 -2.828 -10.998 1.00 0.00 C ATOM 441 O VAL A 28 -3.378 -3.776 -11.518 1.00 0.00 O ATOM 442 CB VAL A 28 -3.381 -2.264 -8.636 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.005 -3.633 -8.407 1.00 0.00 C ATOM 444 CG2 VAL A 28 -1.918 -2.260 -8.223 1.00 0.00 C ATOM 0 H VAL A 28 -5.590 -1.848 -9.711 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.099 -0.844 -10.240 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.910 -1.542 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.887 -3.917 -7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.066 -3.595 -8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.510 -4.369 -9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.833 -2.566 -7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.361 -2.955 -8.851 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.509 -1.256 -8.341 1.00 0.00 H new ATOM 454 N PHE A 29 -1.489 -2.604 -11.168 1.00 0.00 N ATOM 455 CA PHE A 29 -0.663 -3.477 -11.995 1.00 0.00 C ATOM 456 C PHE A 29 -0.031 -4.584 -11.156 1.00 0.00 C ATOM 457 O PHE A 29 0.004 -5.743 -11.568 1.00 0.00 O ATOM 458 CB PHE A 29 0.428 -2.666 -12.696 1.00 0.00 C ATOM 459 CG PHE A 29 -0.105 -1.682 -13.697 1.00 0.00 C ATOM 460 CD1 PHE A 29 -0.823 -0.572 -13.282 1.00 0.00 C ATOM 461 CD2 PHE A 29 0.114 -1.866 -15.052 1.00 0.00 C ATOM 462 CE1 PHE A 29 -1.314 0.336 -14.202 1.00 0.00 C ATOM 463 CE2 PHE A 29 -0.374 -0.963 -15.977 1.00 0.00 C ATOM 464 CZ PHE A 29 -1.089 0.140 -15.550 1.00 0.00 C ATOM 0 H PHE A 29 -0.985 -1.825 -10.744 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.304 -3.937 -12.747 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.009 -2.130 -11.946 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.111 -3.350 -13.200 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.001 -0.414 -12.229 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.673 -2.726 -15.390 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.873 1.197 -13.867 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.197 -1.119 -17.031 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.471 0.848 -16.270 1.00 0.00 H new ATOM 474 N ASN A 30 0.467 -4.219 -9.980 1.00 0.00 N ATOM 475 CA ASN A 30 1.098 -5.183 -9.086 1.00 0.00 C ATOM 476 C ASN A 30 0.995 -4.732 -7.632 1.00 0.00 C ATOM 477 O ASN A 30 0.833 -3.545 -7.348 1.00 0.00 O ATOM 478 CB ASN A 30 2.568 -5.376 -9.467 1.00 0.00 C ATOM 479 CG ASN A 30 3.165 -6.624 -8.846 1.00 0.00 C ATOM 480 OD1 ASN A 30 4.165 -6.557 -8.131 1.00 0.00 O ATOM 481 ND2 ASN A 30 2.556 -7.772 -9.120 1.00 0.00 N ATOM 0 H ASN A 30 0.446 -3.264 -9.624 1.00 0.00 H new ATOM 0 HA ASN A 30 0.572 -6.132 -9.190 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.655 -5.436 -10.552 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.141 -4.505 -9.149 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.915 -8.645 -8.733 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.730 -7.781 -9.718 1.00 0.00 H new ATOM 488 N VAL A 31 1.092 -5.690 -6.714 1.00 0.00 N ATOM 489 CA VAL A 31 1.012 -5.396 -5.288 1.00 0.00 C ATOM 490 C VAL A 31 1.820 -6.406 -4.478 1.00 0.00 C ATOM 491 O VAL A 31 1.576 -7.610 -4.549 1.00 0.00 O ATOM 492 CB VAL A 31 -0.447 -5.404 -4.792 1.00 0.00 C ATOM 493 CG1 VAL A 31 -0.525 -4.927 -3.351 1.00 0.00 C ATOM 494 CG2 VAL A 31 -1.321 -4.546 -5.693 1.00 0.00 C ATOM 0 H VAL A 31 1.226 -6.677 -6.933 1.00 0.00 H new ATOM 0 HA VAL A 31 1.428 -4.399 -5.144 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.819 -6.428 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.563 -4.940 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.067 -5.587 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.135 -3.912 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.348 -4.563 -5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.952 -3.520 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.291 -4.938 -6.710 1.00 0.00 H new ATOM 504 N LYS A 32 2.785 -5.908 -3.711 1.00 0.00 N ATOM 505 CA LYS A 32 3.629 -6.770 -2.892 1.00 0.00 C ATOM 506 C LYS A 32 3.928 -6.124 -1.544 1.00 0.00 C ATOM 507 O LYS A 32 3.754 -4.918 -1.368 1.00 0.00 O ATOM 508 CB LYS A 32 4.937 -7.077 -3.623 1.00 0.00 C ATOM 509 CG LYS A 32 5.700 -5.834 -4.052 1.00 0.00 C ATOM 510 CD LYS A 32 6.992 -5.668 -3.265 1.00 0.00 C ATOM 511 CE LYS A 32 8.127 -5.182 -4.152 1.00 0.00 C ATOM 512 NZ LYS A 32 9.057 -6.287 -4.519 1.00 0.00 N ATOM 0 H LYS A 32 3.001 -4.914 -3.640 1.00 0.00 H new ATOM 0 HA LYS A 32 3.089 -7.700 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.574 -7.678 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.718 -7.681 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.927 -5.896 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.072 -4.954 -3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.835 -4.959 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.267 -6.620 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.715 -4.738 -5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.681 -4.398 -3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.817 -5.915 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.470 -6.694 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.534 -7.024 -5.034 1.00 0.00 H new ATOM 526 N LEU A 33 4.381 -6.937 -0.594 1.00 0.00 N ATOM 527 CA LEU A 33 4.707 -6.448 0.740 1.00 0.00 C ATOM 528 C LEU A 33 6.100 -6.906 1.159 1.00 0.00 C ATOM 529 O LEU A 33 6.787 -7.598 0.408 1.00 0.00 O ATOM 530 CB LEU A 33 3.668 -6.936 1.752 1.00 0.00 C ATOM 531 CG LEU A 33 2.237 -6.465 1.489 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.305 -6.944 2.591 1.00 0.00 C ATOM 533 CD2 LEU A 33 2.190 -4.948 1.372 1.00 0.00 C ATOM 0 H LEU A 33 4.530 -7.938 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 33 4.695 -5.358 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.679 -8.026 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.967 -6.603 2.746 1.00 0.00 H new ATOM 0 HG LEU A 33 1.901 -6.895 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.292 -6.599 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.317 -8.033 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.638 -6.544 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.165 -4.629 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.546 -4.500 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.826 -4.627 0.547 1.00 0.00 H new ATOM 545 N ILE A 34 6.514 -6.514 2.361 1.00 0.00 N ATOM 546 CA ILE A 34 7.827 -6.885 2.874 1.00 0.00 C ATOM 547 C ILE A 34 7.722 -7.537 4.250 1.00 0.00 C ATOM 548 O ILE A 34 6.650 -7.560 4.856 1.00 0.00 O ATOM 549 CB ILE A 34 8.762 -5.662 2.966 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.177 -4.613 3.914 1.00 0.00 C ATOM 551 CG2 ILE A 34 8.991 -5.067 1.585 1.00 0.00 C ATOM 552 CD1 ILE A 34 8.753 -4.674 5.313 1.00 0.00 C ATOM 0 H ILE A 34 5.959 -5.940 2.996 1.00 0.00 H new ATOM 0 HA ILE A 34 8.247 -7.603 2.169 1.00 0.00 H new ATOM 0 HB ILE A 34 9.723 -5.987 3.365 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.355 -3.621 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.097 -4.746 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.653 -4.205 1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.448 -5.816 0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.037 -4.754 1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.293 -3.902 5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.552 -5.653 5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.830 -4.510 5.271 1.00 0.00 H new ATOM 564 N TYR A 35 8.840 -8.067 4.736 1.00 0.00 N ATOM 565 CA TYR A 35 8.876 -8.721 6.039 1.00 0.00 C ATOM 566 C TYR A 35 9.780 -7.962 7.005 1.00 0.00 C ATOM 567 O TYR A 35 10.216 -6.848 6.717 1.00 0.00 O ATOM 568 CB TYR A 35 9.362 -10.164 5.893 1.00 0.00 C ATOM 569 CG TYR A 35 8.626 -10.945 4.828 1.00 0.00 C ATOM 570 CD1 TYR A 35 8.948 -10.797 3.484 1.00 0.00 C ATOM 571 CD2 TYR A 35 7.610 -11.829 5.166 1.00 0.00 C ATOM 572 CE1 TYR A 35 8.278 -11.508 2.507 1.00 0.00 C ATOM 573 CE2 TYR A 35 6.934 -12.544 4.195 1.00 0.00 C ATOM 574 CZ TYR A 35 7.271 -12.379 2.868 1.00 0.00 C ATOM 575 OH TYR A 35 6.601 -13.090 1.898 1.00 0.00 O ATOM 0 H TYR A 35 9.734 -8.056 4.246 1.00 0.00 H new ATOM 0 HA TYR A 35 7.864 -8.724 6.445 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.426 -10.158 5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.250 -10.675 6.849 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.735 -10.115 3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.344 -11.960 6.204 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.541 -11.383 1.467 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.146 -13.228 4.474 1.00 0.00 H new ATOM 0 HH TYR A 35 5.923 -13.659 2.319 1.00 0.00 H new ATOM 585 N ASP A 36 10.056 -8.574 8.153 1.00 0.00 N ATOM 586 CA ASP A 36 10.908 -7.956 9.164 1.00 0.00 C ATOM 587 C ASP A 36 12.369 -8.349 8.960 1.00 0.00 C ATOM 588 O ASP A 36 12.694 -9.119 8.057 1.00 0.00 O ATOM 589 CB ASP A 36 10.445 -8.364 10.566 1.00 0.00 C ATOM 590 CG ASP A 36 10.181 -7.166 11.458 1.00 0.00 C ATOM 591 OD1 ASP A 36 9.839 -6.090 10.922 1.00 0.00 O ATOM 592 OD2 ASP A 36 10.317 -7.304 12.692 1.00 0.00 O ATOM 0 H ASP A 36 9.702 -9.497 8.406 1.00 0.00 H new ATOM 0 HA ASP A 36 10.827 -6.874 9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.537 -8.962 10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.204 -8.997 11.027 1.00 0.00 H new ATOM 597 N ARG A 37 13.244 -7.814 9.807 1.00 0.00 N ATOM 598 CA ARG A 37 14.669 -8.109 9.719 1.00 0.00 C ATOM 599 C ARG A 37 15.146 -8.868 10.954 1.00 0.00 C ATOM 600 O ARG A 37 16.297 -8.736 11.370 1.00 0.00 O ATOM 601 CB ARG A 37 15.473 -6.816 9.557 1.00 0.00 C ATOM 602 CG ARG A 37 15.012 -5.693 10.472 1.00 0.00 C ATOM 603 CD ARG A 37 15.988 -4.526 10.462 1.00 0.00 C ATOM 604 NE ARG A 37 15.314 -3.252 10.224 1.00 0.00 N ATOM 605 CZ ARG A 37 14.935 -2.829 9.021 1.00 0.00 C ATOM 606 NH1 ARG A 37 15.160 -3.575 7.946 1.00 0.00 N ATOM 607 NH2 ARG A 37 14.328 -1.657 8.892 1.00 0.00 N ATOM 0 H ARG A 37 12.991 -7.175 10.561 1.00 0.00 H new ATOM 0 HA ARG A 37 14.829 -8.739 8.844 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.525 -7.025 9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 37 15.403 -6.482 8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 37 14.027 -5.347 10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.907 -6.071 11.489 1.00 0.00 H new ATOM 0 HD2 ARG A 37 16.514 -4.485 11.416 1.00 0.00 H new ATOM 0 HD3 ARG A 37 16.740 -4.688 9.690 1.00 0.00 H new ATOM 0 HE ARG A 37 15.123 -2.652 11.027 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.626 -4.478 8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.867 -3.246 7.026 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.152 -1.081 9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.037 -1.332 7.970 1.00 0.00 H new ATOM 621 N GLU A 38 14.254 -9.663 11.535 1.00 0.00 N ATOM 622 CA GLU A 38 14.582 -10.446 12.722 1.00 0.00 C ATOM 623 C GLU A 38 13.570 -11.568 12.930 1.00 0.00 C ATOM 624 O GLU A 38 13.942 -12.720 13.147 1.00 0.00 O ATOM 625 CB GLU A 38 14.624 -9.545 13.957 1.00 0.00 C ATOM 626 CG GLU A 38 15.375 -10.154 15.130 1.00 0.00 C ATOM 627 CD GLU A 38 16.209 -9.135 15.880 1.00 0.00 C ATOM 628 OE1 GLU A 38 15.657 -8.454 16.770 1.00 0.00 O ATOM 629 OE2 GLU A 38 17.416 -9.018 15.579 1.00 0.00 O ATOM 0 H GLU A 38 13.297 -9.783 11.203 1.00 0.00 H new ATOM 0 HA GLU A 38 15.565 -10.892 12.573 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.092 -8.598 13.689 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.604 -9.320 14.267 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.661 -10.610 15.816 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.023 -10.952 14.767 1.00 0.00 H new ATOM 636 N THR A 39 12.289 -11.220 12.862 1.00 0.00 N ATOM 637 CA THR A 39 11.221 -12.198 13.043 1.00 0.00 C ATOM 638 C THR A 39 10.791 -12.793 11.704 1.00 0.00 C ATOM 639 O THR A 39 10.200 -13.873 11.658 1.00 0.00 O ATOM 640 CB THR A 39 10.020 -11.551 13.735 1.00 0.00 C ATOM 641 OG1 THR A 39 9.772 -10.261 13.206 1.00 0.00 O ATOM 642 CG2 THR A 39 10.197 -11.408 15.230 1.00 0.00 C ATOM 0 H THR A 39 11.965 -10.269 12.683 1.00 0.00 H new ATOM 0 HA THR A 39 11.604 -13.003 13.670 1.00 0.00 H new ATOM 0 HB THR A 39 9.182 -12.222 13.548 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.999 -9.864 13.660 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.310 -10.942 15.659 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.341 -12.392 15.675 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.068 -10.786 15.435 1.00 0.00 H new ATOM 650 N LYS A 40 11.088 -12.084 10.618 1.00 0.00 N ATOM 651 CA LYS A 40 10.730 -12.546 9.281 1.00 0.00 C ATOM 652 C LYS A 40 9.216 -12.589 9.106 1.00 0.00 C ATOM 653 O LYS A 40 8.685 -13.456 8.410 1.00 0.00 O ATOM 654 CB LYS A 40 11.328 -13.929 9.016 1.00 0.00 C ATOM 655 CG LYS A 40 12.828 -14.000 9.254 1.00 0.00 C ATOM 656 CD LYS A 40 13.568 -14.521 8.031 1.00 0.00 C ATOM 657 CE LYS A 40 14.114 -13.385 7.182 1.00 0.00 C ATOM 658 NZ LYS A 40 13.689 -13.501 5.760 1.00 0.00 N ATOM 0 H LYS A 40 11.575 -11.188 10.638 1.00 0.00 H new ATOM 0 HA LYS A 40 11.140 -11.839 8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.832 -14.659 9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.118 -14.215 7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.203 -13.009 9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.031 -14.649 10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.388 -15.166 8.348 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.895 -15.133 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.772 -12.432 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.203 -13.382 7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.082 -12.708 5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.037 -14.398 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.651 -13.478 5.705 1.00 0.00 H new ATOM 672 N LYS A 41 8.523 -11.648 9.740 1.00 0.00 N ATOM 673 CA LYS A 41 7.070 -11.578 9.651 1.00 0.00 C ATOM 674 C LYS A 41 6.637 -10.487 8.673 1.00 0.00 C ATOM 675 O LYS A 41 7.342 -9.496 8.484 1.00 0.00 O ATOM 676 CB LYS A 41 6.465 -11.313 11.031 1.00 0.00 C ATOM 677 CG LYS A 41 6.540 -12.507 11.969 1.00 0.00 C ATOM 678 CD LYS A 41 5.487 -12.427 13.064 1.00 0.00 C ATOM 679 CE LYS A 41 4.384 -13.454 12.856 1.00 0.00 C ATOM 680 NZ LYS A 41 4.569 -14.651 13.723 1.00 0.00 N ATOM 0 H LYS A 41 8.945 -10.924 10.321 1.00 0.00 H new ATOM 0 HA LYS A 41 6.706 -12.537 9.282 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.981 -10.469 11.489 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.422 -11.021 10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.404 -13.427 11.400 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.531 -12.554 12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.957 -12.588 14.034 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.055 -11.426 13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.418 -12.997 13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.367 -13.762 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.797 -15.327 13.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.480 -15.102 13.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.559 -14.361 14.722 1.00 0.00 H new ATOM 694 N PRO A 42 5.468 -10.660 8.031 1.00 0.00 N ATOM 695 CA PRO A 42 4.946 -9.689 7.064 1.00 0.00 C ATOM 696 C PRO A 42 4.434 -8.416 7.729 1.00 0.00 C ATOM 697 O PRO A 42 3.303 -8.368 8.211 1.00 0.00 O ATOM 698 CB PRO A 42 3.796 -10.443 6.396 1.00 0.00 C ATOM 699 CG PRO A 42 3.339 -11.419 7.423 1.00 0.00 C ATOM 700 CD PRO A 42 4.568 -11.818 8.194 1.00 0.00 C ATOM 0 HA PRO A 42 5.717 -9.352 6.371 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.992 -9.765 6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.127 -10.948 5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.594 -10.972 8.081 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.873 -12.287 6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.340 -12.005 9.243 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.012 -12.731 7.797 1.00 0.00 H new ATOM 708 N LYS A 43 5.272 -7.384 7.744 1.00 0.00 N ATOM 709 CA LYS A 43 4.905 -6.106 8.343 1.00 0.00 C ATOM 710 C LYS A 43 6.033 -5.088 8.183 1.00 0.00 C ATOM 711 O LYS A 43 7.203 -5.403 8.398 1.00 0.00 O ATOM 712 CB LYS A 43 4.544 -6.289 9.826 1.00 0.00 C ATOM 713 CG LYS A 43 5.713 -6.106 10.786 1.00 0.00 C ATOM 714 CD LYS A 43 6.823 -7.109 10.517 1.00 0.00 C ATOM 715 CE LYS A 43 7.048 -8.025 11.711 1.00 0.00 C ATOM 716 NZ LYS A 43 7.381 -7.258 12.943 1.00 0.00 N ATOM 0 H LYS A 43 6.211 -7.408 7.347 1.00 0.00 H new ATOM 0 HA LYS A 43 4.028 -5.724 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.761 -5.578 10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.128 -7.287 9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.106 -5.094 10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.362 -6.218 11.812 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.570 -7.707 9.641 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.746 -6.578 10.285 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.152 -8.621 11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.856 -8.722 11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.332 -7.522 13.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.357 -6.239 12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.687 -7.476 13.686 1.00 0.00 H new ATOM 730 N GLY A 44 5.671 -3.868 7.803 1.00 0.00 N ATOM 731 CA GLY A 44 6.662 -2.823 7.619 1.00 0.00 C ATOM 732 C GLY A 44 6.259 -1.824 6.552 1.00 0.00 C ATOM 733 O GLY A 44 6.124 -0.632 6.827 1.00 0.00 O ATOM 0 H GLY A 44 4.709 -3.583 7.619 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.814 -2.300 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.616 -3.275 7.348 1.00 0.00 H new ATOM 737 N PHE A 45 6.068 -2.311 5.329 1.00 0.00 N ATOM 738 CA PHE A 45 5.678 -1.453 4.217 1.00 0.00 C ATOM 739 C PHE A 45 5.324 -2.282 2.986 1.00 0.00 C ATOM 740 O PHE A 45 5.594 -3.481 2.934 1.00 0.00 O ATOM 741 CB PHE A 45 6.805 -0.475 3.879 1.00 0.00 C ATOM 742 CG PHE A 45 8.117 -1.146 3.589 1.00 0.00 C ATOM 743 CD1 PHE A 45 8.987 -1.469 4.618 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.479 -1.454 2.287 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.195 -2.087 4.354 1.00 0.00 C ATOM 746 CE2 PHE A 45 9.685 -2.072 2.017 1.00 0.00 C ATOM 747 CZ PHE A 45 10.544 -2.389 3.052 1.00 0.00 C ATOM 0 H PHE A 45 6.177 -3.295 5.084 1.00 0.00 H new ATOM 0 HA PHE A 45 4.795 -0.890 4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.511 0.119 3.014 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.936 0.217 4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.718 -1.235 5.638 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.811 -1.208 1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.865 -2.333 5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.956 -2.307 0.998 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.487 -2.872 2.843 1.00 0.00 H new ATOM 757 N GLY A 46 4.720 -1.631 1.998 1.00 0.00 N ATOM 758 CA GLY A 46 4.338 -2.319 0.779 1.00 0.00 C ATOM 759 C GLY A 46 4.571 -1.473 -0.458 1.00 0.00 C ATOM 760 O GLY A 46 4.943 -0.304 -0.356 1.00 0.00 O ATOM 0 H GLY A 46 4.488 -0.638 2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.906 -3.246 0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.285 -2.594 0.835 1.00 0.00 H new ATOM 764 N PHE A 47 4.354 -2.064 -1.628 1.00 0.00 N ATOM 765 CA PHE A 47 4.546 -1.352 -2.887 1.00 0.00 C ATOM 766 C PHE A 47 3.394 -1.624 -3.851 1.00 0.00 C ATOM 767 O PHE A 47 2.980 -2.769 -4.034 1.00 0.00 O ATOM 768 CB PHE A 47 5.875 -1.757 -3.529 1.00 0.00 C ATOM 769 CG PHE A 47 6.883 -0.643 -3.572 1.00 0.00 C ATOM 770 CD1 PHE A 47 6.777 0.367 -4.514 1.00 0.00 C ATOM 771 CD2 PHE A 47 7.934 -0.607 -2.670 1.00 0.00 C ATOM 772 CE1 PHE A 47 7.702 1.393 -4.557 1.00 0.00 C ATOM 773 CE2 PHE A 47 8.862 0.416 -2.708 1.00 0.00 C ATOM 774 CZ PHE A 47 8.746 1.418 -3.652 1.00 0.00 C ATOM 0 H PHE A 47 4.046 -3.031 -1.731 1.00 0.00 H new ATOM 0 HA PHE A 47 4.567 -0.284 -2.671 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.296 -2.596 -2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.688 -2.106 -4.544 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.962 0.353 -5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.029 -1.387 -1.929 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.609 2.174 -5.297 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.678 0.432 -2.000 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.470 2.219 -3.683 1.00 0.00 H new ATOM 784 N VAL A 48 2.883 -0.562 -4.468 1.00 0.00 N ATOM 785 CA VAL A 48 1.782 -0.682 -5.416 1.00 0.00 C ATOM 786 C VAL A 48 2.107 0.034 -6.723 1.00 0.00 C ATOM 787 O VAL A 48 2.867 1.003 -6.739 1.00 0.00 O ATOM 788 CB VAL A 48 0.475 -0.105 -4.837 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.685 -0.336 -5.792 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.180 -0.713 -3.475 1.00 0.00 C ATOM 0 H VAL A 48 3.215 0.392 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 48 1.644 -1.746 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 48 0.602 0.970 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.597 0.079 -5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.476 0.153 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.815 -1.406 -5.955 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.746 -0.294 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.076 -1.794 -3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.999 -0.488 -2.791 1.00 0.00 H new ATOM 800 N GLU A 49 1.527 -0.449 -7.817 1.00 0.00 N ATOM 801 CA GLU A 49 1.756 0.145 -9.129 1.00 0.00 C ATOM 802 C GLU A 49 0.437 0.525 -9.792 1.00 0.00 C ATOM 803 O GLU A 49 -0.421 -0.325 -10.023 1.00 0.00 O ATOM 804 CB GLU A 49 2.528 -0.828 -10.023 1.00 0.00 C ATOM 805 CG GLU A 49 2.957 -0.222 -11.351 1.00 0.00 C ATOM 806 CD GLU A 49 4.446 -0.364 -11.603 1.00 0.00 C ATOM 807 OE1 GLU A 49 4.987 -1.462 -11.359 1.00 0.00 O ATOM 808 OE2 GLU A 49 5.070 0.625 -12.044 1.00 0.00 O ATOM 0 H GLU A 49 0.895 -1.250 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 49 2.347 1.051 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.412 -1.176 -9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.907 -1.703 -10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.408 -0.703 -12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.688 0.834 -11.368 1.00 0.00 H new ATOM 815 N MET A 50 0.282 1.810 -10.095 1.00 0.00 N ATOM 816 CA MET A 50 -0.934 2.304 -10.731 1.00 0.00 C ATOM 817 C MET A 50 -0.644 3.543 -11.572 1.00 0.00 C ATOM 818 O MET A 50 0.424 4.144 -11.462 1.00 0.00 O ATOM 819 CB MET A 50 -1.992 2.627 -9.674 1.00 0.00 C ATOM 820 CG MET A 50 -2.118 1.564 -8.594 1.00 0.00 C ATOM 821 SD MET A 50 -3.348 1.984 -7.346 1.00 0.00 S ATOM 822 CE MET A 50 -4.836 1.340 -8.107 1.00 0.00 C ATOM 0 H MET A 50 0.983 2.528 -9.910 1.00 0.00 H new ATOM 0 HA MET A 50 -1.314 1.522 -11.388 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.747 3.581 -9.207 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.958 2.751 -10.164 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.384 0.613 -9.055 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.150 1.425 -8.112 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.695 1.924 -7.777 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.748 1.405 -9.191 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.972 0.298 -7.816 1.00 0.00 H new ATOM 832 N GLN A 51 -1.605 3.921 -12.409 1.00 0.00 N ATOM 833 CA GLN A 51 -1.453 5.090 -13.268 1.00 0.00 C ATOM 834 C GLN A 51 -1.454 6.373 -12.442 1.00 0.00 C ATOM 835 O GLN A 51 -1.927 6.389 -11.305 1.00 0.00 O ATOM 836 CB GLN A 51 -2.578 5.136 -14.304 1.00 0.00 C ATOM 837 CG GLN A 51 -2.313 4.272 -15.527 1.00 0.00 C ATOM 838 CD GLN A 51 -3.589 3.751 -16.158 1.00 0.00 C ATOM 839 OE1 GLN A 51 -4.660 3.799 -15.553 1.00 0.00 O ATOM 840 NE2 GLN A 51 -3.480 3.246 -17.382 1.00 0.00 N ATOM 0 H GLN A 51 -2.496 3.435 -12.511 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.496 5.011 -13.784 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.507 4.812 -13.835 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.725 6.168 -14.623 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.758 4.852 -16.264 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.682 3.430 -15.243 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.572 3.226 -17.847 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.304 2.878 -17.857 1.00 0.00 H new ATOM 849 N GLU A 52 -0.922 7.444 -13.019 1.00 0.00 N ATOM 850 CA GLU A 52 -0.862 8.730 -12.333 1.00 0.00 C ATOM 851 C GLU A 52 -2.209 9.444 -12.396 1.00 0.00 C ATOM 852 O GLU A 52 -2.322 10.536 -12.953 1.00 0.00 O ATOM 853 CB GLU A 52 0.229 9.610 -12.946 1.00 0.00 C ATOM 854 CG GLU A 52 -0.044 10.004 -14.389 1.00 0.00 C ATOM 855 CD GLU A 52 1.228 10.271 -15.171 1.00 0.00 C ATOM 856 OE1 GLU A 52 1.869 11.314 -14.922 1.00 0.00 O ATOM 857 OE2 GLU A 52 1.582 9.438 -16.031 1.00 0.00 O ATOM 0 H GLU A 52 -0.526 7.448 -13.959 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.620 8.545 -11.286 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.335 10.514 -12.346 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.181 9.081 -12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.607 9.209 -14.878 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.671 10.896 -14.406 1.00 0.00 H new ATOM 864 N GLU A 53 -3.227 8.819 -11.817 1.00 0.00 N ATOM 865 CA GLU A 53 -4.568 9.390 -11.800 1.00 0.00 C ATOM 866 C GLU A 53 -5.221 9.183 -10.439 1.00 0.00 C ATOM 867 O GLU A 53 -5.778 10.113 -9.856 1.00 0.00 O ATOM 868 CB GLU A 53 -5.429 8.759 -12.895 1.00 0.00 C ATOM 869 CG GLU A 53 -6.838 9.325 -12.964 1.00 0.00 C ATOM 870 CD GLU A 53 -7.884 8.346 -12.470 1.00 0.00 C ATOM 871 OE1 GLU A 53 -7.729 7.827 -11.344 1.00 0.00 O ATOM 872 OE2 GLU A 53 -8.862 8.098 -13.209 1.00 0.00 O ATOM 0 H GLU A 53 -3.149 7.915 -11.352 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.486 10.460 -11.988 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.941 8.905 -13.859 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.486 7.684 -12.726 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.889 10.237 -12.369 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.064 9.604 -13.993 1.00 0.00 H new ATOM 879 N SER A 54 -5.143 7.955 -9.937 1.00 0.00 N ATOM 880 CA SER A 54 -5.722 7.620 -8.642 1.00 0.00 C ATOM 881 C SER A 54 -4.708 7.829 -7.520 1.00 0.00 C ATOM 882 O SER A 54 -5.084 8.056 -6.371 1.00 0.00 O ATOM 883 CB SER A 54 -6.211 6.171 -8.639 1.00 0.00 C ATOM 884 OG SER A 54 -7.350 6.015 -9.467 1.00 0.00 O ATOM 0 H SER A 54 -4.684 7.175 -10.408 1.00 0.00 H new ATOM 0 HA SER A 54 -6.569 8.283 -8.469 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.413 5.514 -8.985 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.454 5.868 -7.620 1.00 0.00 H new ATOM 0 HG SER A 54 -7.586 6.879 -9.865 1.00 0.00 H new ATOM 890 N VAL A 55 -3.424 7.746 -7.857 1.00 0.00 N ATOM 891 CA VAL A 55 -2.362 7.921 -6.873 1.00 0.00 C ATOM 892 C VAL A 55 -2.358 9.336 -6.301 1.00 0.00 C ATOM 893 O VAL A 55 -2.056 9.540 -5.127 1.00 0.00 O ATOM 894 CB VAL A 55 -0.978 7.623 -7.481 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.097 7.644 -6.404 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.991 6.286 -8.210 1.00 0.00 C ATOM 0 H VAL A 55 -3.095 7.559 -8.804 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.562 7.211 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.745 8.403 -8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.067 7.431 -6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.123 8.627 -5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.127 6.888 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.005 6.093 -8.633 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.247 5.492 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.730 6.315 -9.011 1.00 0.00 H new ATOM 906 N SER A 56 -2.691 10.310 -7.141 1.00 0.00 N ATOM 907 CA SER A 56 -2.720 11.706 -6.720 1.00 0.00 C ATOM 908 C SER A 56 -3.719 11.920 -5.586 1.00 0.00 C ATOM 909 O SER A 56 -3.410 12.570 -4.587 1.00 0.00 O ATOM 910 CB SER A 56 -3.070 12.610 -7.904 1.00 0.00 C ATOM 911 OG SER A 56 -2.008 13.502 -8.196 1.00 0.00 O ATOM 0 H SER A 56 -2.945 10.159 -8.117 1.00 0.00 H new ATOM 0 HA SER A 56 -1.727 11.966 -6.353 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.287 11.999 -8.780 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.973 13.177 -7.678 1.00 0.00 H new ATOM 0 HG SER A 56 -2.256 14.067 -8.957 1.00 0.00 H new ATOM 917 N GLU A 57 -4.920 11.373 -5.748 1.00 0.00 N ATOM 918 CA GLU A 57 -5.966 11.510 -4.739 1.00 0.00 C ATOM 919 C GLU A 57 -5.902 10.378 -3.716 1.00 0.00 C ATOM 920 O GLU A 57 -6.381 10.521 -2.591 1.00 0.00 O ATOM 921 CB GLU A 57 -7.342 11.531 -5.406 1.00 0.00 C ATOM 922 CG GLU A 57 -8.338 12.452 -4.721 1.00 0.00 C ATOM 923 CD GLU A 57 -9.727 11.851 -4.641 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.843 10.674 -4.241 1.00 0.00 O ATOM 925 OE2 GLU A 57 -10.700 12.559 -4.979 1.00 0.00 O ATOM 0 H GLU A 57 -5.193 10.831 -6.568 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.804 12.452 -4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.228 11.842 -6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.746 10.519 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.985 12.678 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.385 13.397 -5.262 1.00 0.00 H new ATOM 932 N ALA A 58 -5.313 9.254 -4.112 1.00 0.00 N ATOM 933 CA ALA A 58 -5.196 8.100 -3.228 1.00 0.00 C ATOM 934 C ALA A 58 -4.416 8.443 -1.963 1.00 0.00 C ATOM 935 O ALA A 58 -4.781 8.024 -0.872 1.00 0.00 O ATOM 936 CB ALA A 58 -4.534 6.941 -3.956 1.00 0.00 C ATOM 0 H ALA A 58 -4.910 9.118 -5.039 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.203 7.805 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.454 6.087 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.135 6.665 -4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.538 7.239 -4.285 1.00 0.00 H new ATOM 942 N ILE A 59 -3.340 9.205 -2.120 1.00 0.00 N ATOM 943 CA ILE A 59 -2.505 9.602 -0.992 1.00 0.00 C ATOM 944 C ILE A 59 -2.985 10.922 -0.392 1.00 0.00 C ATOM 945 O ILE A 59 -2.786 11.191 0.792 1.00 0.00 O ATOM 946 CB ILE A 59 -1.026 9.744 -1.422 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.436 8.374 -1.769 1.00 0.00 C ATOM 948 CG2 ILE A 59 -0.203 10.418 -0.330 1.00 0.00 C ATOM 949 CD1 ILE A 59 -0.137 8.201 -3.242 1.00 0.00 C ATOM 0 H ILE A 59 -3.024 9.562 -3.022 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.584 8.819 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.990 10.374 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.482 8.228 -1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.133 7.597 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.833 10.506 -0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.606 11.411 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.247 9.820 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.278 7.208 -3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.057 8.315 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.583 8.956 -3.558 1.00 0.00 H new ATOM 961 N ALA A 60 -3.605 11.745 -1.226 1.00 0.00 N ATOM 962 CA ALA A 60 -4.103 13.048 -0.805 1.00 0.00 C ATOM 963 C ALA A 60 -4.987 12.966 0.439 1.00 0.00 C ATOM 964 O ALA A 60 -4.693 13.586 1.461 1.00 0.00 O ATOM 965 CB ALA A 60 -4.871 13.699 -1.943 1.00 0.00 C ATOM 0 H ALA A 60 -3.777 11.531 -2.208 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.236 13.655 -0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.241 14.673 -1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.211 13.826 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.713 13.066 -2.223 1.00 0.00 H new ATOM 971 N LYS A 61 -6.085 12.225 0.335 1.00 0.00 N ATOM 972 CA LYS A 61 -7.028 12.098 1.444 1.00 0.00 C ATOM 973 C LYS A 61 -6.705 10.919 2.361 1.00 0.00 C ATOM 974 O LYS A 61 -7.302 10.786 3.429 1.00 0.00 O ATOM 975 CB LYS A 61 -8.451 11.954 0.905 1.00 0.00 C ATOM 976 CG LYS A 61 -8.800 12.971 -0.169 1.00 0.00 C ATOM 977 CD LYS A 61 -8.853 14.382 0.396 1.00 0.00 C ATOM 978 CE LYS A 61 -8.795 15.426 -0.707 1.00 0.00 C ATOM 979 NZ LYS A 61 -9.689 16.583 -0.423 1.00 0.00 N ATOM 0 H LYS A 61 -6.345 11.704 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.941 13.006 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.577 10.951 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.155 12.054 1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.061 12.926 -0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.764 12.719 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.769 14.510 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.021 14.531 1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.770 15.778 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.081 14.970 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.621 17.273 -1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.671 16.251 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.400 17.034 0.468 1.00 0.00 H new ATOM 993 N LEU A 62 -5.784 10.056 1.948 1.00 0.00 N ATOM 994 CA LEU A 62 -5.437 8.894 2.759 1.00 0.00 C ATOM 995 C LEU A 62 -4.299 9.195 3.729 1.00 0.00 C ATOM 996 O LEU A 62 -4.520 9.344 4.930 1.00 0.00 O ATOM 997 CB LEU A 62 -5.057 7.719 1.863 1.00 0.00 C ATOM 998 CG LEU A 62 -6.227 7.063 1.125 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.764 5.811 0.397 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.354 6.731 2.093 1.00 0.00 C ATOM 0 H LEU A 62 -5.271 10.136 1.070 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.317 8.634 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.330 8.063 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.561 6.963 2.472 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.606 7.770 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.609 5.358 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.993 6.075 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.358 5.101 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.176 6.266 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.988 6.043 2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.706 7.646 2.569 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.081 9.268 3.205 1.00 0.00 N ATOM 1013 CA ASP A 63 -1.903 9.534 4.028 1.00 0.00 C ATOM 1014 C ASP A 63 -2.118 10.741 4.942 1.00 0.00 C ATOM 1015 O ASP A 63 -2.843 11.673 4.599 1.00 0.00 O ATOM 1016 CB ASP A 63 -0.672 9.739 3.135 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.342 11.202 2.888 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.280 11.987 2.637 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.853 11.558 2.946 1.00 0.00 O ATOM 0 H ASP A 63 -2.881 9.147 2.212 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.734 8.668 4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.188 9.253 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.841 9.246 2.178 1.00 0.00 H new ATOM 1024 N ASN A 64 -1.476 10.709 6.106 1.00 0.00 N ATOM 1025 CA ASN A 64 -1.588 11.795 7.073 1.00 0.00 C ATOM 1026 C ASN A 64 -0.735 11.511 8.307 1.00 0.00 C ATOM 1027 O ASN A 64 0.032 12.364 8.755 1.00 0.00 O ATOM 1028 CB ASN A 64 -3.049 11.996 7.482 1.00 0.00 C ATOM 1029 CG ASN A 64 -3.451 13.458 7.488 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -3.456 14.109 8.533 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -3.791 13.983 6.316 1.00 0.00 N ATOM 0 H ASN A 64 -0.872 9.942 6.402 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.224 12.708 6.602 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.694 11.447 6.796 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.207 11.574 8.475 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.070 14.962 6.258 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.773 13.407 5.475 1.00 0.00 H new ATOM 1038 N THR A 65 -0.874 10.307 8.850 1.00 0.00 N ATOM 1039 CA THR A 65 -0.119 9.906 10.030 1.00 0.00 C ATOM 1040 C THR A 65 -0.055 8.385 10.141 1.00 0.00 C ATOM 1041 O THR A 65 -0.499 7.669 9.243 1.00 0.00 O ATOM 1042 CB THR A 65 -0.752 10.498 11.291 1.00 0.00 C ATOM 1043 OG1 THR A 65 -2.120 10.792 11.075 1.00 0.00 O ATOM 1044 CG2 THR A 65 -0.077 11.769 11.759 1.00 0.00 C ATOM 0 H THR A 65 -1.504 9.590 8.490 1.00 0.00 H new ATOM 0 HA THR A 65 0.897 10.288 9.931 1.00 0.00 H new ATOM 0 HB THR A 65 -0.629 9.736 12.061 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.507 11.168 11.893 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.575 12.136 12.657 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.970 11.564 11.983 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.139 12.524 10.975 1.00 0.00 H new ATOM 1052 N ASP A 66 0.499 7.897 11.246 1.00 0.00 N ATOM 1053 CA ASP A 66 0.618 6.462 11.472 1.00 0.00 C ATOM 1054 C ASP A 66 -0.550 5.944 12.304 1.00 0.00 C ATOM 1055 O ASP A 66 -0.602 6.154 13.516 1.00 0.00 O ATOM 1056 CB ASP A 66 1.940 6.145 12.173 1.00 0.00 C ATOM 1057 CG ASP A 66 2.137 6.965 13.432 1.00 0.00 C ATOM 1058 OD1 ASP A 66 2.473 8.162 13.315 1.00 0.00 O ATOM 1059 OD2 ASP A 66 1.955 6.410 14.536 1.00 0.00 O ATOM 0 H ASP A 66 0.873 8.475 11.999 1.00 0.00 H new ATOM 0 HA ASP A 66 0.599 5.963 10.503 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.970 5.085 12.425 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.766 6.333 11.487 1.00 0.00 H new ATOM 1064 N PHE A 67 -1.486 5.267 11.647 1.00 0.00 N ATOM 1065 CA PHE A 67 -2.654 4.721 12.328 1.00 0.00 C ATOM 1066 C PHE A 67 -2.807 3.232 12.039 1.00 0.00 C ATOM 1067 O PHE A 67 -2.121 2.684 11.175 1.00 0.00 O ATOM 1068 CB PHE A 67 -3.916 5.471 11.899 1.00 0.00 C ATOM 1069 CG PHE A 67 -4.756 5.941 13.052 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -5.733 5.121 13.595 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -4.566 7.202 13.594 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -6.505 5.551 14.656 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -5.337 7.637 14.656 1.00 0.00 C ATOM 1074 CZ PHE A 67 -6.308 6.811 15.188 1.00 0.00 C ATOM 0 H PHE A 67 -1.458 5.083 10.644 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.511 4.849 13.401 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.630 6.331 11.294 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.517 4.821 11.264 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.892 4.135 13.184 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.808 7.852 13.183 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.263 4.902 15.070 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -5.180 8.622 15.070 1.00 0.00 H new ATOM 0 HZ PHE A 67 -6.912 7.149 16.017 1.00 0.00 H new ATOM 1084 N MET A 68 -3.711 2.583 12.764 1.00 0.00 N ATOM 1085 CA MET A 68 -3.955 1.157 12.585 1.00 0.00 C ATOM 1086 C MET A 68 -4.916 0.911 11.425 1.00 0.00 C ATOM 1087 O MET A 68 -5.981 0.317 11.600 1.00 0.00 O ATOM 1088 CB MET A 68 -4.517 0.549 13.872 1.00 0.00 C ATOM 1089 CG MET A 68 -3.515 0.510 15.014 1.00 0.00 C ATOM 1090 SD MET A 68 -3.811 -0.857 16.152 1.00 0.00 S ATOM 1091 CE MET A 68 -3.906 0.018 17.711 1.00 0.00 C ATOM 0 H MET A 68 -4.287 3.022 13.482 1.00 0.00 H new ATOM 0 HA MET A 68 -3.005 0.676 12.352 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.389 1.123 14.184 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.860 -0.465 13.666 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.508 0.426 14.606 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.559 1.451 15.563 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.087 -0.693 18.517 1.00 0.00 H new ATOM 0 HE2 MET A 68 -2.967 0.541 17.892 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.722 0.739 17.674 1.00 0.00 H new ATOM 1101 N GLY A 69 -4.532 1.371 10.239 1.00 0.00 N ATOM 1102 CA GLY A 69 -5.367 1.191 9.067 1.00 0.00 C ATOM 1103 C GLY A 69 -6.386 2.302 8.904 1.00 0.00 C ATOM 1104 O GLY A 69 -7.496 2.070 8.425 1.00 0.00 O ATOM 0 H GLY A 69 -3.656 1.866 10.069 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.737 1.147 8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.885 0.235 9.137 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.009 3.513 9.305 1.00 0.00 N ATOM 1109 CA ARG A 70 -6.900 4.662 9.201 1.00 0.00 C ATOM 1110 C ARG A 70 -6.392 5.650 8.154 1.00 0.00 C ATOM 1111 O ARG A 70 -7.169 6.187 7.365 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.028 5.359 10.556 1.00 0.00 C ATOM 1113 CG ARG A 70 -8.297 6.187 10.696 1.00 0.00 C ATOM 1114 CD ARG A 70 -9.046 5.853 11.977 1.00 0.00 C ATOM 1115 NE ARG A 70 -8.803 6.840 13.026 1.00 0.00 N ATOM 1116 CZ ARG A 70 -9.324 6.764 14.249 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -10.116 5.752 14.579 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -9.051 7.704 15.144 1.00 0.00 N ATOM 0 H ARG A 70 -5.094 3.723 9.704 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.881 4.303 8.891 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.005 4.608 11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.163 6.006 10.706 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.043 7.247 10.688 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.945 6.008 9.838 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.115 5.801 11.769 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.741 4.867 12.329 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.199 7.633 12.809 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.329 5.027 13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.512 5.699 15.517 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.443 8.484 14.895 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.449 7.647 16.081 1.00 0.00 H new ATOM 1132 N THR A 71 -5.084 5.881 8.155 1.00 0.00 N ATOM 1133 CA THR A 71 -4.470 6.803 7.205 1.00 0.00 C ATOM 1134 C THR A 71 -3.129 6.265 6.718 1.00 0.00 C ATOM 1135 O THR A 71 -2.856 6.246 5.518 1.00 0.00 O ATOM 1136 CB THR A 71 -4.281 8.180 7.847 1.00 0.00 C ATOM 1137 OG1 THR A 71 -3.388 8.972 7.082 1.00 0.00 O ATOM 1138 CG2 THR A 71 -3.740 8.117 9.259 1.00 0.00 C ATOM 0 H THR A 71 -4.428 5.443 8.802 1.00 0.00 H new ATOM 0 HA THR A 71 -5.135 6.900 6.347 1.00 0.00 H new ATOM 0 HB THR A 71 -5.277 8.621 7.877 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.540 8.808 6.128 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.631 9.128 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.430 7.555 9.888 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.769 7.623 9.255 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.296 5.826 7.656 1.00 0.00 N ATOM 1147 CA ILE A 72 -0.984 5.288 7.320 1.00 0.00 C ATOM 1148 C ILE A 72 -0.136 6.327 6.593 1.00 0.00 C ATOM 1149 O ILE A 72 -0.662 7.284 6.026 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.102 4.030 6.439 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.107 3.047 7.043 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.258 3.369 6.273 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.625 2.026 6.052 1.00 0.00 C ATOM 0 H ILE A 72 -2.507 5.832 8.654 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.500 5.020 8.259 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.462 4.329 5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.637 2.526 7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.950 3.606 7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.157 2.482 5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.948 4.069 5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.645 3.082 7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.332 1.363 6.549 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.124 2.538 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.791 1.441 5.663 1.00 0.00 H new ATOM 1165 N ARG A 73 1.178 6.133 6.614 1.00 0.00 N ATOM 1166 CA ARG A 73 2.095 7.054 5.954 1.00 0.00 C ATOM 1167 C ARG A 73 2.350 6.626 4.511 1.00 0.00 C ATOM 1168 O ARG A 73 3.446 6.181 4.168 1.00 0.00 O ATOM 1169 CB ARG A 73 3.418 7.125 6.719 1.00 0.00 C ATOM 1170 CG ARG A 73 4.221 8.384 6.432 1.00 0.00 C ATOM 1171 CD ARG A 73 4.989 8.852 7.658 1.00 0.00 C ATOM 1172 NE ARG A 73 6.432 8.866 7.426 1.00 0.00 N ATOM 1173 CZ ARG A 73 7.294 9.560 8.165 1.00 0.00 C ATOM 1174 NH1 ARG A 73 6.865 10.296 9.185 1.00 0.00 N ATOM 1175 NH2 ARG A 73 8.590 9.519 7.885 1.00 0.00 N ATOM 0 H ARG A 73 1.631 5.347 7.080 1.00 0.00 H new ATOM 0 HA ARG A 73 1.635 8.042 5.945 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.213 7.071 7.788 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.022 6.254 6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.919 8.193 5.617 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.550 9.176 6.099 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.656 9.852 7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.763 8.197 8.499 1.00 0.00 H new ATOM 0 HE ARG A 73 6.800 8.312 6.653 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.870 10.331 9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.531 10.826 9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.925 8.956 7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.251 10.051 8.451 1.00 0.00 H new ATOM 1189 N VAL A 74 1.329 6.760 3.673 1.00 0.00 N ATOM 1190 CA VAL A 74 1.441 6.385 2.268 1.00 0.00 C ATOM 1191 C VAL A 74 1.843 7.580 1.409 1.00 0.00 C ATOM 1192 O VAL A 74 1.278 8.667 1.537 1.00 0.00 O ATOM 1193 CB VAL A 74 0.119 5.797 1.736 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -0.989 6.840 1.765 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.307 5.247 0.329 1.00 0.00 C ATOM 0 H VAL A 74 0.415 7.125 3.941 1.00 0.00 H new ATOM 0 HA VAL A 74 2.217 5.622 2.204 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.176 4.975 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.912 6.401 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.143 7.179 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.707 7.688 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.637 4.836 -0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.630 6.049 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.063 4.462 0.343 1.00 0.00 H new ATOM 1205 N THR A 75 2.824 7.372 0.537 1.00 0.00 N ATOM 1206 CA THR A 75 3.302 8.434 -0.341 1.00 0.00 C ATOM 1207 C THR A 75 3.913 7.855 -1.612 1.00 0.00 C ATOM 1208 O THR A 75 4.296 6.687 -1.652 1.00 0.00 O ATOM 1209 CB THR A 75 4.332 9.299 0.387 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.860 10.286 -0.480 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.496 8.505 0.942 1.00 0.00 C ATOM 0 H THR A 75 3.303 6.479 0.419 1.00 0.00 H new ATOM 0 HA THR A 75 2.450 9.053 -0.620 1.00 0.00 H new ATOM 0 HB THR A 75 3.793 9.752 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.516 10.830 0.004 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.189 9.179 1.446 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.126 7.766 1.653 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.012 7.997 0.127 1.00 0.00 H new ATOM 1219 N GLU A 76 4.000 8.681 -2.650 1.00 0.00 N ATOM 1220 CA GLU A 76 4.564 8.252 -3.926 1.00 0.00 C ATOM 1221 C GLU A 76 5.998 7.759 -3.751 1.00 0.00 C ATOM 1222 O GLU A 76 6.781 8.347 -3.005 1.00 0.00 O ATOM 1223 CB GLU A 76 4.527 9.402 -4.935 1.00 0.00 C ATOM 1224 CG GLU A 76 3.290 9.395 -5.819 1.00 0.00 C ATOM 1225 CD GLU A 76 3.574 9.898 -7.221 1.00 0.00 C ATOM 1226 OE1 GLU A 76 4.453 9.318 -7.892 1.00 0.00 O ATOM 1227 OE2 GLU A 76 2.917 10.871 -7.647 1.00 0.00 O ATOM 0 H GLU A 76 3.687 9.652 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 76 3.960 7.427 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.573 10.349 -4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.415 9.350 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.893 8.382 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.518 10.016 -5.363 1.00 0.00 H new ATOM 1234 N ALA A 77 6.334 6.675 -4.444 1.00 0.00 N ATOM 1235 CA ALA A 77 7.673 6.101 -4.366 1.00 0.00 C ATOM 1236 C ALA A 77 8.652 6.871 -5.244 1.00 0.00 C ATOM 1237 O ALA A 77 8.581 6.719 -6.482 1.00 0.00 O ATOM 1238 CB ALA A 77 7.642 4.634 -4.766 1.00 0.00 C ATOM 0 H ALA A 77 5.697 6.177 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 77 8.015 6.177 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.648 4.218 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.981 4.087 -4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.275 4.543 -5.788 1.00 0.00 H new