USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 597 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 Single : A 1 GLY N :NH3+ -109:sc= 0.081 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -150:sc= 0.336 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.000408 K(o=-0.00041,f=1.2) USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0889) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.62) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-7.7!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2.47! C(o=-2.5!,f=-7.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0314 (180deg=-0.279) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.39! X(o=-2.4!,f=-2.3) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -62:sc= 0.569 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.4!) USER MOD Single : A 69 TYR OH : rot -151:sc= 0.787 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.384 15.132 15.084 1.00 0.00 N ATOM 2 CA GLY A 1 0.597 14.488 13.802 1.00 0.00 C ATOM 3 C GLY A 1 0.185 15.365 12.636 1.00 0.00 C ATOM 4 O GLY A 1 -0.371 16.446 12.830 1.00 0.00 O ATOM 0 H1 GLY A 1 1.302 15.382 15.504 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.182 15.994 14.950 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.122 14.482 15.719 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.650 14.226 13.701 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.032 13.556 13.769 1.00 0.00 H new ATOM 8 N SER A 2 0.460 14.901 11.422 1.00 0.00 N ATOM 9 CA SER A 2 0.120 15.654 10.220 1.00 0.00 C ATOM 10 C SER A 2 -0.541 14.751 9.183 1.00 0.00 C ATOM 11 O SER A 2 -0.095 13.629 8.945 1.00 0.00 O ATOM 12 CB SER A 2 1.373 16.300 9.626 1.00 0.00 C ATOM 13 OG SER A 2 2.266 15.319 9.129 1.00 0.00 O ATOM 0 H SER A 2 0.917 14.007 11.244 1.00 0.00 H new ATOM 0 HA SER A 2 -0.586 16.436 10.498 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.089 16.979 8.822 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.873 16.899 10.387 1.00 0.00 H new ATOM 0 HG SER A 2 3.058 15.758 8.753 1.00 0.00 H new ATOM 19 N SER A 3 -1.609 15.250 8.568 1.00 0.00 N ATOM 20 CA SER A 3 -2.335 14.489 7.558 1.00 0.00 C ATOM 21 C SER A 3 -2.099 15.068 6.167 1.00 0.00 C ATOM 22 O SER A 3 -1.491 16.128 6.018 1.00 0.00 O ATOM 23 CB SER A 3 -3.832 14.482 7.873 1.00 0.00 C ATOM 24 OG SER A 3 -4.128 13.579 8.925 1.00 0.00 O ATOM 0 H SER A 3 -1.990 16.178 8.752 1.00 0.00 H new ATOM 0 HA SER A 3 -1.963 13.465 7.573 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.153 15.486 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.393 14.203 6.981 1.00 0.00 H new ATOM 0 HG SER A 3 -5.091 13.594 9.108 1.00 0.00 H new ATOM 30 N GLY A 4 -2.586 14.365 5.149 1.00 0.00 N ATOM 31 CA GLY A 4 -2.419 14.824 3.782 1.00 0.00 C ATOM 32 C GLY A 4 -2.008 13.708 2.842 1.00 0.00 C ATOM 33 O GLY A 4 -2.593 12.625 2.861 1.00 0.00 O ATOM 0 H GLY A 4 -3.093 13.486 5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.353 15.263 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.667 15.612 3.756 1.00 0.00 H new ATOM 37 N SER A 5 -1.001 13.973 2.016 1.00 0.00 N ATOM 38 CA SER A 5 -0.517 12.984 1.060 1.00 0.00 C ATOM 39 C SER A 5 -0.301 11.634 1.737 1.00 0.00 C ATOM 40 O SER A 5 0.150 11.565 2.880 1.00 0.00 O ATOM 41 CB SER A 5 0.789 13.460 0.419 1.00 0.00 C ATOM 42 OG SER A 5 1.049 12.763 -0.787 1.00 0.00 O ATOM 0 H SER A 5 -0.505 14.864 1.990 1.00 0.00 H new ATOM 0 HA SER A 5 -1.273 12.865 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.731 14.530 0.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.615 13.310 1.115 1.00 0.00 H new ATOM 0 HG SER A 5 1.888 13.087 -1.178 1.00 0.00 H new ATOM 48 N SER A 6 -0.627 10.562 1.021 1.00 0.00 N ATOM 49 CA SER A 6 -0.474 9.213 1.553 1.00 0.00 C ATOM 50 C SER A 6 -0.403 8.189 0.424 1.00 0.00 C ATOM 51 O SER A 6 -0.445 8.543 -0.753 1.00 0.00 O ATOM 52 CB SER A 6 -1.635 8.876 2.490 1.00 0.00 C ATOM 53 OG SER A 6 -2.883 9.100 1.857 1.00 0.00 O ATOM 0 H SER A 6 -0.998 10.602 0.072 1.00 0.00 H new ATOM 0 HA SER A 6 0.459 9.175 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.564 7.834 2.802 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.567 9.484 3.392 1.00 0.00 H new ATOM 0 HG SER A 6 -3.609 8.876 2.476 1.00 0.00 H new ATOM 59 N GLY A 7 -0.295 6.916 0.794 1.00 0.00 N ATOM 60 CA GLY A 7 -0.220 5.860 -0.198 1.00 0.00 C ATOM 61 C GLY A 7 1.201 5.390 -0.439 1.00 0.00 C ATOM 62 O GLY A 7 1.596 5.145 -1.578 1.00 0.00 O ATOM 0 H GLY A 7 -0.258 6.598 1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.828 5.016 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.646 6.216 -1.136 1.00 0.00 H new ATOM 66 N ASP A 8 1.971 5.266 0.637 1.00 0.00 N ATOM 67 CA ASP A 8 3.357 4.823 0.538 1.00 0.00 C ATOM 68 C ASP A 8 3.437 3.302 0.454 1.00 0.00 C ATOM 69 O ASP A 8 3.162 2.602 1.429 1.00 0.00 O ATOM 70 CB ASP A 8 4.162 5.324 1.738 1.00 0.00 C ATOM 71 CG ASP A 8 4.317 6.832 1.743 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.457 7.417 0.649 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.298 7.427 2.841 1.00 0.00 O ATOM 0 H ASP A 8 1.659 5.466 1.587 1.00 0.00 H new ATOM 0 HA ASP A 8 3.782 5.241 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.670 5.009 2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.148 4.860 1.729 1.00 0.00 H new ATOM 78 N TYR A 9 3.814 2.798 -0.715 1.00 0.00 N ATOM 79 CA TYR A 9 3.927 1.360 -0.927 1.00 0.00 C ATOM 80 C TYR A 9 4.735 0.706 0.190 1.00 0.00 C ATOM 81 O TYR A 9 4.644 -0.501 0.413 1.00 0.00 O ATOM 82 CB TYR A 9 4.579 1.072 -2.280 1.00 0.00 C ATOM 83 CG TYR A 9 3.786 1.591 -3.458 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.399 1.519 -3.472 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.424 2.154 -4.556 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.670 1.992 -4.546 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.703 2.630 -5.634 1.00 0.00 C ATOM 88 CZ TYR A 9 2.327 2.547 -5.625 1.00 0.00 C ATOM 89 OH TYR A 9 1.604 3.020 -6.696 1.00 0.00 O ATOM 0 H TYR A 9 4.047 3.364 -1.531 1.00 0.00 H new ATOM 0 HA TYR A 9 2.922 0.937 -0.919 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.573 1.519 -2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.711 -0.005 -2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.882 1.086 -2.629 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.502 2.221 -4.567 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.592 1.928 -4.541 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.215 3.065 -6.480 1.00 0.00 H new ATOM 0 HH TYR A 9 2.217 3.380 -7.371 1.00 0.00 H new ATOM 99 N TYR A 10 5.526 1.513 0.888 1.00 0.00 N ATOM 100 CA TYR A 10 6.353 1.015 1.981 1.00 0.00 C ATOM 101 C TYR A 10 5.497 0.655 3.191 1.00 0.00 C ATOM 102 O TYR A 10 5.791 -0.300 3.910 1.00 0.00 O ATOM 103 CB TYR A 10 7.398 2.060 2.374 1.00 0.00 C ATOM 104 CG TYR A 10 8.255 2.525 1.218 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.139 1.658 0.590 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.179 3.833 0.754 1.00 0.00 C ATOM 107 CE1 TYR A 10 9.924 2.079 -0.466 1.00 0.00 C ATOM 108 CE2 TYR A 10 8.959 4.263 -0.302 1.00 0.00 C ATOM 109 CZ TYR A 10 9.830 3.382 -0.908 1.00 0.00 C ATOM 110 OH TYR A 10 10.609 3.805 -1.961 1.00 0.00 O ATOM 0 H TYR A 10 5.612 2.515 0.717 1.00 0.00 H new ATOM 0 HA TYR A 10 6.861 0.114 1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.892 2.922 2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.042 1.644 3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.214 0.637 0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.498 4.525 1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.607 1.392 -0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.887 5.283 -0.651 1.00 0.00 H new ATOM 0 HH TYR A 10 10.808 4.759 -1.858 1.00 0.00 H new ATOM 120 N GLN A 11 4.437 1.426 3.408 1.00 0.00 N ATOM 121 CA GLN A 11 3.537 1.188 4.531 1.00 0.00 C ATOM 122 C GLN A 11 2.670 -0.042 4.283 1.00 0.00 C ATOM 123 O GLN A 11 2.465 -0.859 5.181 1.00 0.00 O ATOM 124 CB GLN A 11 2.651 2.412 4.770 1.00 0.00 C ATOM 125 CG GLN A 11 1.346 2.379 3.992 1.00 0.00 C ATOM 126 CD GLN A 11 0.413 3.514 4.368 1.00 0.00 C ATOM 127 OE1 GLN A 11 -0.677 3.288 4.894 1.00 0.00 O ATOM 128 NE2 GLN A 11 0.838 4.743 4.101 1.00 0.00 N ATOM 0 H GLN A 11 4.180 2.220 2.822 1.00 0.00 H new ATOM 0 HA GLN A 11 4.144 1.009 5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.428 2.487 5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.205 3.310 4.497 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.562 2.430 2.925 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.845 1.428 4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.749 4.884 3.664 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.254 5.546 4.333 1.00 0.00 H new ATOM 137 N ILE A 12 2.163 -0.165 3.061 1.00 0.00 N ATOM 138 CA ILE A 12 1.319 -1.296 2.696 1.00 0.00 C ATOM 139 C ILE A 12 2.024 -2.620 2.970 1.00 0.00 C ATOM 140 O ILE A 12 1.409 -3.577 3.444 1.00 0.00 O ATOM 141 CB ILE A 12 0.915 -1.240 1.211 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.092 0.020 0.930 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.131 -2.486 0.828 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.244 0.209 -0.532 1.00 0.00 C ATOM 0 H ILE A 12 2.322 0.504 2.308 1.00 0.00 H new ATOM 0 HA ILE A 12 0.422 -1.231 3.311 1.00 0.00 H new ATOM 0 HB ILE A 12 1.820 -1.203 0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.833 -0.025 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.644 0.891 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.147 -2.432 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.747 -3.369 0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.770 -2.551 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.828 1.121 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.677 0.286 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.824 -0.644 -0.885 1.00 0.00 H new ATOM 156 N LEU A 13 3.317 -2.668 2.670 1.00 0.00 N ATOM 157 CA LEU A 13 4.108 -3.875 2.886 1.00 0.00 C ATOM 158 C LEU A 13 4.709 -3.888 4.287 1.00 0.00 C ATOM 159 O LEU A 13 4.852 -4.944 4.903 1.00 0.00 O ATOM 160 CB LEU A 13 5.220 -3.973 1.840 1.00 0.00 C ATOM 161 CG LEU A 13 4.792 -4.433 0.446 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.898 -4.175 -0.565 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.417 -5.908 0.463 1.00 0.00 C ATOM 0 H LEU A 13 3.840 -1.886 2.277 1.00 0.00 H new ATOM 0 HA LEU A 13 3.447 -4.736 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.693 -2.995 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.980 -4.661 2.210 1.00 0.00 H new ATOM 0 HG LEU A 13 3.915 -3.858 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.575 -4.509 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.119 -3.108 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.794 -4.723 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.115 -6.218 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.276 -6.498 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.591 -6.065 1.157 1.00 0.00 H new ATOM 175 N GLY A 14 5.059 -2.707 4.787 1.00 0.00 N ATOM 176 CA GLY A 14 5.639 -2.605 6.114 1.00 0.00 C ATOM 177 C GLY A 14 7.149 -2.733 6.097 1.00 0.00 C ATOM 178 O GLY A 14 7.727 -3.467 6.900 1.00 0.00 O ATOM 0 H GLY A 14 4.951 -1.819 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.363 -1.647 6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.219 -3.382 6.752 1.00 0.00 H new ATOM 182 N VAL A 15 7.792 -2.017 5.180 1.00 0.00 N ATOM 183 CA VAL A 15 9.245 -2.054 5.062 1.00 0.00 C ATOM 184 C VAL A 15 9.824 -0.647 4.962 1.00 0.00 C ATOM 185 O VAL A 15 9.187 0.279 4.461 1.00 0.00 O ATOM 186 CB VAL A 15 9.688 -2.868 3.831 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.597 -4.359 4.116 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.849 -2.496 2.618 1.00 0.00 C ATOM 0 H VAL A 15 7.330 -1.404 4.508 1.00 0.00 H new ATOM 0 HA VAL A 15 9.623 -2.537 5.963 1.00 0.00 H new ATOM 0 HB VAL A 15 10.728 -2.628 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.914 -4.918 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.244 -4.609 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.568 -4.620 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.175 -3.080 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.799 -2.707 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.971 -1.434 2.403 1.00 0.00 H new ATOM 198 N PRO A 16 11.062 -0.481 5.450 1.00 0.00 N ATOM 199 CA PRO A 16 11.756 0.810 5.426 1.00 0.00 C ATOM 200 C PRO A 16 12.150 1.231 4.015 1.00 0.00 C ATOM 201 O PRO A 16 12.577 0.406 3.207 1.00 0.00 O ATOM 202 CB PRO A 16 13.003 0.558 6.277 1.00 0.00 C ATOM 203 CG PRO A 16 13.241 -0.909 6.176 1.00 0.00 C ATOM 204 CD PRO A 16 11.881 -1.542 6.061 1.00 0.00 C ATOM 0 HA PRO A 16 11.126 1.618 5.797 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.857 1.124 5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.845 0.863 7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.856 -1.146 5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.771 -1.280 7.053 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.906 -2.438 5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.492 -1.839 7.035 1.00 0.00 H new ATOM 212 N ARG A 17 12.004 2.519 3.724 1.00 0.00 N ATOM 213 CA ARG A 17 12.344 3.049 2.409 1.00 0.00 C ATOM 214 C ARG A 17 13.648 2.443 1.899 1.00 0.00 C ATOM 215 O ARG A 17 13.829 2.256 0.697 1.00 0.00 O ATOM 216 CB ARG A 17 12.465 4.573 2.465 1.00 0.00 C ATOM 217 CG ARG A 17 11.131 5.284 2.624 1.00 0.00 C ATOM 218 CD ARG A 17 11.308 6.678 3.206 1.00 0.00 C ATOM 219 NE ARG A 17 11.343 6.660 4.666 1.00 0.00 N ATOM 220 CZ ARG A 17 10.257 6.577 5.426 1.00 0.00 C ATOM 221 NH1 ARG A 17 9.057 6.502 4.868 1.00 0.00 N ATOM 222 NH2 ARG A 17 10.370 6.566 6.748 1.00 0.00 N ATOM 0 H ARG A 17 11.652 3.215 4.381 1.00 0.00 H new ATOM 0 HA ARG A 17 11.544 2.780 1.719 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.115 4.847 3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.948 4.924 1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.637 5.353 1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.480 4.698 3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.232 7.115 2.826 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.491 7.317 2.871 1.00 0.00 H new ATOM 0 HE ARG A 17 12.251 6.714 5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.966 6.508 3.852 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.225 6.438 5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.292 6.621 7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.535 6.502 7.331 1.00 0.00 H new ATOM 236 N ASN A 18 14.555 2.140 2.823 1.00 0.00 N ATOM 237 CA ASN A 18 15.843 1.556 2.467 1.00 0.00 C ATOM 238 C ASN A 18 15.826 0.043 2.660 1.00 0.00 C ATOM 239 O ASN A 18 16.802 -0.544 3.128 1.00 0.00 O ATOM 240 CB ASN A 18 16.958 2.177 3.312 1.00 0.00 C ATOM 241 CG ASN A 18 17.507 3.450 2.698 1.00 0.00 C ATOM 242 OD1 ASN A 18 17.126 4.555 3.086 1.00 0.00 O ATOM 243 ND2 ASN A 18 18.407 3.301 1.733 1.00 0.00 N ATOM 0 H ASN A 18 14.422 2.289 3.823 1.00 0.00 H new ATOM 0 HA ASN A 18 16.032 1.768 1.415 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.577 2.393 4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.766 1.455 3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 18 18.812 4.121 1.282 1.00 0.00 H new ATOM 0 HD22 ASN A 18 18.694 2.366 1.443 1.00 0.00 H new ATOM 250 N ALA A 19 14.712 -0.582 2.296 1.00 0.00 N ATOM 251 CA ALA A 19 14.569 -2.027 2.426 1.00 0.00 C ATOM 252 C ALA A 19 15.172 -2.749 1.226 1.00 0.00 C ATOM 253 O ALA A 19 14.868 -2.426 0.078 1.00 0.00 O ATOM 254 CB ALA A 19 13.102 -2.400 2.586 1.00 0.00 C ATOM 0 H ALA A 19 13.895 -0.111 1.909 1.00 0.00 H new ATOM 0 HA ALA A 19 15.112 -2.342 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.010 -3.482 2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.700 -1.921 3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.544 -2.065 1.712 1.00 0.00 H new ATOM 260 N SER A 20 16.030 -3.727 1.500 1.00 0.00 N ATOM 261 CA SER A 20 16.680 -4.491 0.442 1.00 0.00 C ATOM 262 C SER A 20 15.651 -5.253 -0.389 1.00 0.00 C ATOM 263 O SER A 20 14.594 -5.635 0.112 1.00 0.00 O ATOM 264 CB SER A 20 17.694 -5.469 1.040 1.00 0.00 C ATOM 265 OG SER A 20 18.698 -5.802 0.097 1.00 0.00 O ATOM 0 H SER A 20 16.291 -4.009 2.445 1.00 0.00 H new ATOM 0 HA SER A 20 17.202 -3.791 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.153 -5.026 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.182 -6.374 1.366 1.00 0.00 H new ATOM 0 HG SER A 20 19.334 -6.427 0.504 1.00 0.00 H new ATOM 271 N GLN A 21 15.970 -5.468 -1.661 1.00 0.00 N ATOM 272 CA GLN A 21 15.073 -6.182 -2.562 1.00 0.00 C ATOM 273 C GLN A 21 14.566 -7.469 -1.918 1.00 0.00 C ATOM 274 O GLN A 21 13.409 -7.851 -2.098 1.00 0.00 O ATOM 275 CB GLN A 21 15.787 -6.503 -3.877 1.00 0.00 C ATOM 276 CG GLN A 21 16.125 -5.272 -4.701 1.00 0.00 C ATOM 277 CD GLN A 21 14.969 -4.814 -5.568 1.00 0.00 C ATOM 278 OE1 GLN A 21 14.811 -5.265 -6.703 1.00 0.00 O ATOM 279 NE2 GLN A 21 14.152 -3.912 -5.037 1.00 0.00 N ATOM 0 H GLN A 21 16.842 -5.158 -2.091 1.00 0.00 H new ATOM 0 HA GLN A 21 14.218 -5.539 -2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.706 -7.047 -3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.157 -7.166 -4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.417 -4.461 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.985 -5.488 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.320 -3.565 -4.093 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.356 -3.566 -5.573 1.00 0.00 H new ATOM 288 N LYS A 22 15.438 -8.133 -1.168 1.00 0.00 N ATOM 289 CA LYS A 22 15.079 -9.376 -0.496 1.00 0.00 C ATOM 290 C LYS A 22 13.938 -9.151 0.492 1.00 0.00 C ATOM 291 O LYS A 22 12.975 -9.916 0.525 1.00 0.00 O ATOM 292 CB LYS A 22 16.294 -9.954 0.235 1.00 0.00 C ATOM 293 CG LYS A 22 17.436 -10.334 -0.691 1.00 0.00 C ATOM 294 CD LYS A 22 18.775 -10.286 0.026 1.00 0.00 C ATOM 295 CE LYS A 22 19.069 -11.593 0.746 1.00 0.00 C ATOM 296 NZ LYS A 22 18.506 -11.607 2.124 1.00 0.00 N ATOM 0 H LYS A 22 16.399 -7.831 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 22 14.746 -10.086 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.653 -9.223 0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.984 -10.835 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.269 -11.337 -1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.455 -9.656 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 22 19.567 -10.080 -0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.775 -9.466 0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.653 -12.423 0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.147 -11.747 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.920 -12.396 2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.730 -10.710 2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.474 -11.725 2.076 1.00 0.00 H new ATOM 310 N GLU A 23 14.054 -8.096 1.293 1.00 0.00 N ATOM 311 CA GLU A 23 13.031 -7.772 2.280 1.00 0.00 C ATOM 312 C GLU A 23 11.681 -7.540 1.608 1.00 0.00 C ATOM 313 O GLU A 23 10.644 -7.975 2.108 1.00 0.00 O ATOM 314 CB GLU A 23 13.436 -6.531 3.077 1.00 0.00 C ATOM 315 CG GLU A 23 12.779 -6.445 4.445 1.00 0.00 C ATOM 316 CD GLU A 23 13.517 -7.247 5.498 1.00 0.00 C ATOM 317 OE1 GLU A 23 14.736 -7.032 5.661 1.00 0.00 O ATOM 318 OE2 GLU A 23 12.876 -8.091 6.159 1.00 0.00 O ATOM 0 H GLU A 23 14.845 -7.452 1.278 1.00 0.00 H new ATOM 0 HA GLU A 23 12.938 -8.618 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.519 -6.527 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.179 -5.641 2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.731 -5.401 4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.752 -6.804 4.374 1.00 0.00 H new ATOM 325 N ILE A 24 11.703 -6.851 0.472 1.00 0.00 N ATOM 326 CA ILE A 24 10.481 -6.561 -0.269 1.00 0.00 C ATOM 327 C ILE A 24 9.874 -7.834 -0.848 1.00 0.00 C ATOM 328 O ILE A 24 8.656 -8.009 -0.851 1.00 0.00 O ATOM 329 CB ILE A 24 10.740 -5.563 -1.413 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.247 -4.232 -0.853 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.473 -5.352 -2.229 1.00 0.00 C ATOM 332 CD1 ILE A 24 11.979 -3.388 -1.873 1.00 0.00 C ATOM 0 H ILE A 24 12.553 -6.483 0.045 1.00 0.00 H new ATOM 0 HA ILE A 24 9.781 -6.117 0.439 1.00 0.00 H new ATOM 0 HB ILE A 24 11.507 -5.976 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.401 -3.665 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.912 -4.430 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.672 -4.644 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.151 -6.303 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.687 -4.958 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.310 -2.460 -1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.845 -3.936 -2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.310 -3.159 -2.703 1.00 0.00 H new ATOM 344 N LYS A 25 10.733 -8.723 -1.336 1.00 0.00 N ATOM 345 CA LYS A 25 10.283 -9.984 -1.915 1.00 0.00 C ATOM 346 C LYS A 25 9.666 -10.883 -0.849 1.00 0.00 C ATOM 347 O LYS A 25 8.624 -11.500 -1.070 1.00 0.00 O ATOM 348 CB LYS A 25 11.452 -10.704 -2.591 1.00 0.00 C ATOM 349 CG LYS A 25 11.037 -11.940 -3.369 1.00 0.00 C ATOM 350 CD LYS A 25 12.147 -12.977 -3.402 1.00 0.00 C ATOM 351 CE LYS A 25 11.589 -14.390 -3.483 1.00 0.00 C ATOM 352 NZ LYS A 25 11.362 -14.974 -2.132 1.00 0.00 N ATOM 0 H LYS A 25 11.745 -8.594 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 25 9.521 -9.761 -2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.953 -10.011 -3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.180 -10.990 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.146 -12.374 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.771 -11.658 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.795 -12.791 -4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.764 -12.879 -2.509 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.650 -14.379 -4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.280 -15.022 -4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.982 -15.937 -2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.263 -15.008 -1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.683 -14.385 -1.609 1.00 0.00 H new ATOM 366 N LYS A 26 10.315 -10.952 0.308 1.00 0.00 N ATOM 367 CA LYS A 26 9.829 -11.773 1.411 1.00 0.00 C ATOM 368 C LYS A 26 8.576 -11.165 2.032 1.00 0.00 C ATOM 369 O LYS A 26 7.568 -11.847 2.212 1.00 0.00 O ATOM 370 CB LYS A 26 10.917 -11.927 2.477 1.00 0.00 C ATOM 371 CG LYS A 26 10.416 -12.543 3.772 1.00 0.00 C ATOM 372 CD LYS A 26 11.285 -12.142 4.952 1.00 0.00 C ATOM 373 CE LYS A 26 10.476 -12.065 6.239 1.00 0.00 C ATOM 374 NZ LYS A 26 11.325 -12.294 7.441 1.00 0.00 N ATOM 0 H LYS A 26 11.180 -10.449 0.507 1.00 0.00 H new ATOM 0 HA LYS A 26 9.575 -12.756 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.721 -12.545 2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.345 -10.948 2.692 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.388 -12.228 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.405 -13.629 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.093 -12.863 5.072 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.747 -11.175 4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.000 -11.087 6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.678 -12.807 6.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.738 -12.234 8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.759 -13.237 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.072 -11.571 7.482 1.00 0.00 H new ATOM 388 N ALA A 27 8.647 -9.878 2.355 1.00 0.00 N ATOM 389 CA ALA A 27 7.517 -9.177 2.952 1.00 0.00 C ATOM 390 C ALA A 27 6.268 -9.310 2.087 1.00 0.00 C ATOM 391 O ALA A 27 5.194 -9.656 2.579 1.00 0.00 O ATOM 392 CB ALA A 27 7.859 -7.710 3.166 1.00 0.00 C ATOM 0 H ALA A 27 9.475 -9.300 2.213 1.00 0.00 H new ATOM 0 HA ALA A 27 7.308 -9.635 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.006 -7.199 3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.719 -7.630 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.098 -7.249 2.208 1.00 0.00 H new ATOM 398 N TYR A 28 6.417 -9.034 0.796 1.00 0.00 N ATOM 399 CA TYR A 28 5.301 -9.121 -0.138 1.00 0.00 C ATOM 400 C TYR A 28 4.655 -10.502 -0.089 1.00 0.00 C ATOM 401 O TYR A 28 3.518 -10.653 0.360 1.00 0.00 O ATOM 402 CB TYR A 28 5.773 -8.817 -1.560 1.00 0.00 C ATOM 403 CG TYR A 28 4.746 -9.139 -2.622 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.412 -8.786 -2.456 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.109 -9.796 -3.791 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.470 -9.079 -3.423 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.174 -10.092 -4.764 1.00 0.00 C ATOM 408 CZ TYR A 28 2.856 -9.732 -4.575 1.00 0.00 C ATOM 409 OH TYR A 28 1.921 -10.025 -5.541 1.00 0.00 O ATOM 0 H TYR A 28 7.300 -8.748 0.373 1.00 0.00 H new ATOM 0 HA TYR A 28 4.557 -8.381 0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.035 -7.761 -1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.681 -9.385 -1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.107 -8.274 -1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.140 -10.080 -3.942 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.437 -8.798 -3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.473 -10.602 -5.667 1.00 0.00 H new ATOM 0 HH TYR A 28 2.356 -10.485 -6.289 1.00 0.00 H new ATOM 419 N TYR A 29 5.389 -11.507 -0.553 1.00 0.00 N ATOM 420 CA TYR A 29 4.888 -12.877 -0.564 1.00 0.00 C ATOM 421 C TYR A 29 4.342 -13.269 0.805 1.00 0.00 C ATOM 422 O TYR A 29 3.293 -13.905 0.907 1.00 0.00 O ATOM 423 CB TYR A 29 5.999 -13.844 -0.978 1.00 0.00 C ATOM 424 CG TYR A 29 6.152 -13.985 -2.476 1.00 0.00 C ATOM 425 CD1 TYR A 29 5.118 -14.487 -3.256 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.332 -13.617 -3.111 1.00 0.00 C ATOM 427 CE1 TYR A 29 5.253 -14.618 -4.624 1.00 0.00 C ATOM 428 CE2 TYR A 29 7.476 -13.743 -4.479 1.00 0.00 C ATOM 429 CZ TYR A 29 6.434 -14.244 -5.231 1.00 0.00 C ATOM 430 OH TYR A 29 6.574 -14.373 -6.594 1.00 0.00 O ATOM 0 H TYR A 29 6.332 -11.399 -0.926 1.00 0.00 H new ATOM 0 HA TYR A 29 4.076 -12.934 -1.288 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.944 -13.501 -0.555 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.795 -14.825 -0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.192 -14.780 -2.784 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.150 -13.226 -2.525 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.439 -15.011 -5.215 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.399 -13.451 -4.957 1.00 0.00 H new ATOM 0 HH TYR A 29 7.465 -14.064 -6.862 1.00 0.00 H new ATOM 440 N GLN A 30 5.061 -12.884 1.854 1.00 0.00 N ATOM 441 CA GLN A 30 4.648 -13.194 3.218 1.00 0.00 C ATOM 442 C GLN A 30 3.269 -12.615 3.515 1.00 0.00 C ATOM 443 O GLN A 30 2.454 -13.241 4.194 1.00 0.00 O ATOM 444 CB GLN A 30 5.669 -12.650 4.218 1.00 0.00 C ATOM 445 CG GLN A 30 6.850 -13.579 4.449 1.00 0.00 C ATOM 446 CD GLN A 30 6.431 -14.932 4.990 1.00 0.00 C ATOM 447 OE1 GLN A 30 5.492 -15.034 5.780 1.00 0.00 O ATOM 448 NE2 GLN A 30 7.126 -15.981 4.566 1.00 0.00 N ATOM 0 H GLN A 30 5.932 -12.357 1.786 1.00 0.00 H new ATOM 0 HA GLN A 30 4.595 -14.278 3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.038 -11.689 3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.170 -12.466 5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.387 -13.718 3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.544 -13.112 5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.897 -15.851 3.911 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.889 -16.917 4.895 1.00 0.00 H new ATOM 457 N LEU A 31 3.014 -11.416 3.003 1.00 0.00 N ATOM 458 CA LEU A 31 1.732 -10.751 3.213 1.00 0.00 C ATOM 459 C LEU A 31 0.646 -11.375 2.344 1.00 0.00 C ATOM 460 O LEU A 31 -0.374 -11.844 2.849 1.00 0.00 O ATOM 461 CB LEU A 31 1.854 -9.258 2.904 1.00 0.00 C ATOM 462 CG LEU A 31 2.530 -8.403 3.976 1.00 0.00 C ATOM 463 CD1 LEU A 31 3.231 -7.210 3.345 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.512 -7.940 5.009 1.00 0.00 C ATOM 0 H LEU A 31 3.678 -10.884 2.440 1.00 0.00 H new ATOM 0 HA LEU A 31 1.451 -10.878 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.410 -9.144 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.854 -8.861 2.728 1.00 0.00 H new ATOM 0 HG LEU A 31 3.279 -9.013 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.706 -6.613 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.988 -7.562 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.502 -6.599 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.011 -7.333 5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.740 -7.347 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.056 -8.808 5.485 1.00 0.00 H new ATOM 476 N ALA A 32 0.872 -11.380 1.034 1.00 0.00 N ATOM 477 CA ALA A 32 -0.085 -11.950 0.095 1.00 0.00 C ATOM 478 C ALA A 32 -0.571 -13.316 0.568 1.00 0.00 C ATOM 479 O ALA A 32 -1.773 -13.549 0.698 1.00 0.00 O ATOM 480 CB ALA A 32 0.535 -12.059 -1.290 1.00 0.00 C ATOM 0 H ALA A 32 1.711 -10.995 0.599 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.947 -11.284 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.191 -12.486 -1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.827 -11.068 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.415 -12.701 -1.245 1.00 0.00 H new ATOM 486 N LYS A 33 0.371 -14.218 0.824 1.00 0.00 N ATOM 487 CA LYS A 33 0.040 -15.561 1.284 1.00 0.00 C ATOM 488 C LYS A 33 -0.892 -15.509 2.490 1.00 0.00 C ATOM 489 O LYS A 33 -1.781 -16.349 2.638 1.00 0.00 O ATOM 490 CB LYS A 33 1.314 -16.328 1.644 1.00 0.00 C ATOM 491 CG LYS A 33 1.168 -17.836 1.537 1.00 0.00 C ATOM 492 CD LYS A 33 2.173 -18.558 2.419 1.00 0.00 C ATOM 493 CE LYS A 33 1.660 -18.705 3.843 1.00 0.00 C ATOM 494 NZ LYS A 33 0.713 -19.846 3.977 1.00 0.00 N ATOM 0 H LYS A 33 1.370 -14.043 0.720 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.472 -16.079 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.121 -16.002 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.607 -16.071 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.157 -18.126 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.306 -18.143 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.382 -19.544 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.114 -18.008 2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.502 -18.851 4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.163 -17.783 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.386 -19.912 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.104 -19.695 3.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.194 -20.729 3.712 1.00 0.00 H new ATOM 508 N LYS A 34 -0.686 -14.518 3.350 1.00 0.00 N ATOM 509 CA LYS A 34 -1.509 -14.354 4.542 1.00 0.00 C ATOM 510 C LYS A 34 -2.904 -13.858 4.176 1.00 0.00 C ATOM 511 O LYS A 34 -3.905 -14.351 4.696 1.00 0.00 O ATOM 512 CB LYS A 34 -0.847 -13.374 5.513 1.00 0.00 C ATOM 513 CG LYS A 34 -1.596 -13.218 6.825 1.00 0.00 C ATOM 514 CD LYS A 34 -1.145 -11.980 7.582 1.00 0.00 C ATOM 515 CE LYS A 34 -1.579 -12.028 9.038 1.00 0.00 C ATOM 516 NZ LYS A 34 -0.570 -12.707 9.896 1.00 0.00 N ATOM 0 H LYS A 34 0.045 -13.815 3.243 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.603 -15.327 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.168 -13.712 5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.766 -12.399 5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.666 -13.155 6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.437 -14.102 7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.060 -11.894 7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.559 -11.091 7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.741 -11.013 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.532 -12.551 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.904 -12.719 10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.433 -13.683 9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.333 -12.194 9.842 1.00 0.00 H new ATOM 530 N TYR A 35 -2.963 -12.882 3.277 1.00 0.00 N ATOM 531 CA TYR A 35 -4.236 -12.319 2.842 1.00 0.00 C ATOM 532 C TYR A 35 -4.683 -12.939 1.522 1.00 0.00 C ATOM 533 O TYR A 35 -5.240 -12.259 0.660 1.00 0.00 O ATOM 534 CB TYR A 35 -4.122 -10.801 2.692 1.00 0.00 C ATOM 535 CG TYR A 35 -3.712 -10.096 3.966 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.553 -10.075 5.072 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.486 -9.450 4.062 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.183 -9.432 6.238 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.108 -8.806 5.224 1.00 0.00 C ATOM 540 CZ TYR A 35 -2.960 -8.799 6.309 1.00 0.00 C ATOM 541 OH TYR A 35 -2.587 -8.157 7.468 1.00 0.00 O ATOM 0 H TYR A 35 -2.144 -12.464 2.835 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.983 -12.547 3.602 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.395 -10.575 1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.081 -10.404 2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.512 -10.569 5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.817 -9.451 3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.848 -9.425 7.089 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.150 -8.310 5.283 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.697 -7.764 7.352 1.00 0.00 H new ATOM 551 N HIS A 36 -4.435 -14.236 1.371 1.00 0.00 N ATOM 552 CA HIS A 36 -4.812 -14.951 0.156 1.00 0.00 C ATOM 553 C HIS A 36 -6.321 -15.173 0.103 1.00 0.00 C ATOM 554 O HIS A 36 -6.965 -15.471 1.110 1.00 0.00 O ATOM 555 CB HIS A 36 -4.085 -16.293 0.082 1.00 0.00 C ATOM 556 CG HIS A 36 -3.846 -16.769 -1.318 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.612 -17.743 -1.923 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.921 -16.397 -2.234 1.00 0.00 C ATOM 559 CE1 HIS A 36 -4.168 -17.951 -3.150 1.00 0.00 C ATOM 560 NE2 HIS A 36 -3.142 -17.146 -3.363 1.00 0.00 N ATOM 0 H HIS A 36 -3.975 -14.814 2.074 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.521 -14.342 -0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.128 -16.207 0.596 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.668 -17.043 0.617 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.152 -15.650 -2.101 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.574 -18.658 -3.858 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.602 -17.090 -4.226 1.00 0.00 H new ATOM 568 N PRO A 37 -6.900 -15.024 -1.097 1.00 0.00 N ATOM 569 CA PRO A 37 -8.339 -15.203 -1.310 1.00 0.00 C ATOM 570 C PRO A 37 -8.768 -16.660 -1.175 1.00 0.00 C ATOM 571 O PRO A 37 -9.926 -16.951 -0.876 1.00 0.00 O ATOM 572 CB PRO A 37 -8.549 -14.715 -2.745 1.00 0.00 C ATOM 573 CG PRO A 37 -7.228 -14.903 -3.407 1.00 0.00 C ATOM 574 CD PRO A 37 -6.194 -14.669 -2.340 1.00 0.00 C ATOM 0 HA PRO A 37 -8.930 -14.663 -0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.329 -15.288 -3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.857 -13.670 -2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.139 -15.906 -3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.102 -14.203 -4.233 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.312 -15.290 -2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.856 -13.633 -2.328 1.00 0.00 H new ATOM 582 N ASP A 38 -7.827 -17.572 -1.398 1.00 0.00 N ATOM 583 CA ASP A 38 -8.108 -19.000 -1.299 1.00 0.00 C ATOM 584 C ASP A 38 -8.465 -19.386 0.133 1.00 0.00 C ATOM 585 O ASP A 38 -9.434 -20.107 0.370 1.00 0.00 O ATOM 586 CB ASP A 38 -6.902 -19.812 -1.774 1.00 0.00 C ATOM 587 CG ASP A 38 -7.201 -21.295 -1.860 1.00 0.00 C ATOM 588 OD1 ASP A 38 -8.247 -21.658 -2.439 1.00 0.00 O ATOM 589 OD2 ASP A 38 -6.389 -22.095 -1.349 1.00 0.00 O ATOM 0 H ASP A 38 -6.864 -17.348 -1.648 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.962 -19.223 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.587 -19.450 -2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.068 -19.651 -1.091 1.00 0.00 H new ATOM 594 N THR A 39 -7.673 -18.902 1.086 1.00 0.00 N ATOM 595 CA THR A 39 -7.904 -19.198 2.494 1.00 0.00 C ATOM 596 C THR A 39 -8.954 -18.266 3.087 1.00 0.00 C ATOM 597 O THR A 39 -9.540 -18.559 4.128 1.00 0.00 O ATOM 598 CB THR A 39 -6.605 -19.078 3.313 1.00 0.00 C ATOM 599 OG1 THR A 39 -6.086 -17.747 3.215 1.00 0.00 O ATOM 600 CG2 THR A 39 -5.562 -20.071 2.824 1.00 0.00 C ATOM 0 H THR A 39 -6.866 -18.304 0.907 1.00 0.00 H new ATOM 0 HA THR A 39 -8.264 -20.225 2.546 1.00 0.00 H new ATOM 0 HB THR A 39 -6.836 -19.302 4.354 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.261 -17.678 3.739 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.654 -19.967 3.418 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.949 -21.085 2.927 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.335 -19.874 1.776 1.00 0.00 H new ATOM 608 N ASN A 40 -9.188 -17.143 2.416 1.00 0.00 N ATOM 609 CA ASN A 40 -10.168 -16.167 2.878 1.00 0.00 C ATOM 610 C ASN A 40 -11.493 -16.335 2.139 1.00 0.00 C ATOM 611 O ASN A 40 -11.712 -15.731 1.089 1.00 0.00 O ATOM 612 CB ASN A 40 -9.638 -14.746 2.678 1.00 0.00 C ATOM 613 CG ASN A 40 -8.869 -14.241 3.885 1.00 0.00 C ATOM 614 OD1 ASN A 40 -9.449 -13.978 4.938 1.00 0.00 O ATOM 615 ND2 ASN A 40 -7.557 -14.103 3.735 1.00 0.00 N ATOM 0 H ASN A 40 -8.713 -16.886 1.551 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.340 -16.338 3.941 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.990 -14.723 1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.473 -14.075 2.475 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.987 -13.767 4.512 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.119 -14.333 2.843 1.00 0.00 H new ATOM 622 N LYS A 41 -12.373 -17.161 2.696 1.00 0.00 N ATOM 623 CA LYS A 41 -13.677 -17.409 2.093 1.00 0.00 C ATOM 624 C LYS A 41 -14.712 -16.413 2.605 1.00 0.00 C ATOM 625 O LYS A 41 -15.651 -16.057 1.893 1.00 0.00 O ATOM 626 CB LYS A 41 -14.137 -18.837 2.392 1.00 0.00 C ATOM 627 CG LYS A 41 -13.474 -19.886 1.515 1.00 0.00 C ATOM 628 CD LYS A 41 -14.232 -20.084 0.213 1.00 0.00 C ATOM 629 CE LYS A 41 -13.607 -21.182 -0.634 1.00 0.00 C ATOM 630 NZ LYS A 41 -12.330 -20.740 -1.260 1.00 0.00 N ATOM 0 H LYS A 41 -12.206 -17.670 3.564 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.580 -17.283 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.929 -19.065 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.218 -18.897 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.449 -19.585 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.422 -20.832 2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.270 -20.336 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.242 -19.150 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.423 -22.059 -0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.308 -21.484 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.935 -21.516 -1.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.510 -19.919 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.652 -20.476 -0.517 1.00 0.00 H new ATOM 644 N ASP A 42 -14.533 -15.965 3.843 1.00 0.00 N ATOM 645 CA ASP A 42 -15.451 -15.008 4.450 1.00 0.00 C ATOM 646 C ASP A 42 -14.747 -13.683 4.729 1.00 0.00 C ATOM 647 O ASP A 42 -15.096 -12.970 5.670 1.00 0.00 O ATOM 648 CB ASP A 42 -16.029 -15.575 5.748 1.00 0.00 C ATOM 649 CG ASP A 42 -14.974 -15.761 6.820 1.00 0.00 C ATOM 650 OD1 ASP A 42 -14.316 -16.822 6.828 1.00 0.00 O ATOM 651 OD2 ASP A 42 -14.806 -14.844 7.652 1.00 0.00 O ATOM 0 H ASP A 42 -13.761 -16.249 4.446 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.265 -14.827 3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -16.805 -14.906 6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.506 -16.533 5.542 1.00 0.00 H new ATOM 656 N ASP A 43 -13.755 -13.361 3.906 1.00 0.00 N ATOM 657 CA ASP A 43 -13.002 -12.122 4.064 1.00 0.00 C ATOM 658 C ASP A 43 -12.934 -11.357 2.747 1.00 0.00 C ATOM 659 O ASP A 43 -11.987 -11.490 1.971 1.00 0.00 O ATOM 660 CB ASP A 43 -11.590 -12.420 4.569 1.00 0.00 C ATOM 661 CG ASP A 43 -11.028 -11.294 5.415 1.00 0.00 C ATOM 662 OD1 ASP A 43 -11.478 -10.141 5.243 1.00 0.00 O ATOM 663 OD2 ASP A 43 -10.139 -11.565 6.249 1.00 0.00 O ATOM 0 H ASP A 43 -13.454 -13.941 3.123 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.518 -11.502 4.797 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.603 -13.339 5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.932 -12.594 3.718 1.00 0.00 H new ATOM 668 N PRO A 44 -13.962 -10.535 2.485 1.00 0.00 N ATOM 669 CA PRO A 44 -14.042 -9.732 1.261 1.00 0.00 C ATOM 670 C PRO A 44 -13.010 -8.609 1.236 1.00 0.00 C ATOM 671 O PRO A 44 -12.604 -8.149 0.169 1.00 0.00 O ATOM 672 CB PRO A 44 -15.459 -9.155 1.308 1.00 0.00 C ATOM 673 CG PRO A 44 -15.813 -9.137 2.755 1.00 0.00 C ATOM 674 CD PRO A 44 -15.124 -10.326 3.365 1.00 0.00 C ATOM 0 HA PRO A 44 -13.838 -10.325 0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.493 -8.153 0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.156 -9.769 0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.483 -8.211 3.226 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.892 -9.198 2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.819 -10.130 4.393 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.775 -11.200 3.386 1.00 0.00 H new ATOM 682 N LYS A 45 -12.589 -8.173 2.418 1.00 0.00 N ATOM 683 CA LYS A 45 -11.603 -7.105 2.533 1.00 0.00 C ATOM 684 C LYS A 45 -10.225 -7.586 2.090 1.00 0.00 C ATOM 685 O LYS A 45 -9.487 -6.860 1.426 1.00 0.00 O ATOM 686 CB LYS A 45 -11.538 -6.595 3.974 1.00 0.00 C ATOM 687 CG LYS A 45 -12.718 -5.722 4.364 1.00 0.00 C ATOM 688 CD LYS A 45 -12.710 -5.405 5.851 1.00 0.00 C ATOM 689 CE LYS A 45 -13.394 -6.498 6.657 1.00 0.00 C ATOM 690 NZ LYS A 45 -14.868 -6.296 6.726 1.00 0.00 N ATOM 0 H LYS A 45 -12.915 -8.543 3.311 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.911 -6.289 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.489 -7.448 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.617 -6.028 4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.690 -4.794 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.648 -6.228 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.682 -5.288 6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.214 -4.454 6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.181 -7.468 6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.982 -6.517 7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.298 -7.061 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.072 -5.382 7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.265 -6.303 5.765 1.00 0.00 H new ATOM 704 N ALA A 46 -9.886 -8.817 2.462 1.00 0.00 N ATOM 705 CA ALA A 46 -8.598 -9.396 2.100 1.00 0.00 C ATOM 706 C ALA A 46 -8.300 -9.191 0.619 1.00 0.00 C ATOM 707 O ALA A 46 -7.190 -8.815 0.244 1.00 0.00 O ATOM 708 CB ALA A 46 -8.570 -10.878 2.446 1.00 0.00 C ATOM 0 H ALA A 46 -10.485 -9.431 3.013 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.824 -8.885 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.603 -11.298 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.729 -11.005 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.359 -11.394 1.899 1.00 0.00 H new ATOM 714 N LYS A 47 -9.299 -9.441 -0.221 1.00 0.00 N ATOM 715 CA LYS A 47 -9.146 -9.283 -1.662 1.00 0.00 C ATOM 716 C LYS A 47 -8.430 -7.978 -1.993 1.00 0.00 C ATOM 717 O LYS A 47 -7.390 -7.979 -2.651 1.00 0.00 O ATOM 718 CB LYS A 47 -10.514 -9.316 -2.348 1.00 0.00 C ATOM 719 CG LYS A 47 -11.035 -10.720 -2.598 1.00 0.00 C ATOM 720 CD LYS A 47 -11.759 -11.271 -1.381 1.00 0.00 C ATOM 721 CE LYS A 47 -12.592 -12.494 -1.734 1.00 0.00 C ATOM 722 NZ LYS A 47 -13.762 -12.142 -2.586 1.00 0.00 N ATOM 0 H LYS A 47 -10.224 -9.754 0.072 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.542 -10.112 -2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.233 -8.775 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.447 -8.788 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.712 -10.711 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.204 -11.377 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.032 -11.534 -0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.404 -10.500 -0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.968 -13.220 -2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.940 -12.973 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.459 -12.914 -2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.198 -11.267 -2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.447 -11.999 -3.567 1.00 0.00 H new ATOM 736 N GLU A 48 -8.994 -6.865 -1.533 1.00 0.00 N ATOM 737 CA GLU A 48 -8.408 -5.553 -1.780 1.00 0.00 C ATOM 738 C GLU A 48 -6.976 -5.490 -1.258 1.00 0.00 C ATOM 739 O GLU A 48 -6.095 -4.912 -1.896 1.00 0.00 O ATOM 740 CB GLU A 48 -9.252 -4.460 -1.121 1.00 0.00 C ATOM 741 CG GLU A 48 -9.150 -3.112 -1.814 1.00 0.00 C ATOM 742 CD GLU A 48 -9.336 -1.950 -0.858 1.00 0.00 C ATOM 743 OE1 GLU A 48 -10.493 -1.672 -0.478 1.00 0.00 O ATOM 744 OE2 GLU A 48 -8.324 -1.318 -0.489 1.00 0.00 O ATOM 0 H GLU A 48 -9.856 -6.846 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.391 -5.388 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.295 -4.775 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.941 -4.349 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.176 -3.028 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.902 -3.054 -2.601 1.00 0.00 H new ATOM 751 N LYS A 49 -6.751 -6.087 -0.092 1.00 0.00 N ATOM 752 CA LYS A 49 -5.426 -6.100 0.517 1.00 0.00 C ATOM 753 C LYS A 49 -4.439 -6.882 -0.342 1.00 0.00 C ATOM 754 O LYS A 49 -3.229 -6.664 -0.271 1.00 0.00 O ATOM 755 CB LYS A 49 -5.494 -6.711 1.919 1.00 0.00 C ATOM 756 CG LYS A 49 -5.808 -5.700 3.008 1.00 0.00 C ATOM 757 CD LYS A 49 -6.496 -6.355 4.195 1.00 0.00 C ATOM 758 CE LYS A 49 -6.947 -5.323 5.217 1.00 0.00 C ATOM 759 NZ LYS A 49 -7.217 -5.939 6.546 1.00 0.00 N ATOM 0 H LYS A 49 -7.469 -6.568 0.450 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.078 -5.070 0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.254 -7.492 1.929 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.541 -7.191 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.886 -5.222 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.447 -4.915 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.357 -6.926 3.848 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.814 -7.062 4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.180 -4.556 5.321 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.848 -4.826 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.522 -5.203 7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.967 -6.653 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.351 -6.392 6.901 1.00 0.00 H new ATOM 773 N PHE A 50 -4.962 -7.793 -1.156 1.00 0.00 N ATOM 774 CA PHE A 50 -4.126 -8.607 -2.031 1.00 0.00 C ATOM 775 C PHE A 50 -3.807 -7.864 -3.324 1.00 0.00 C ATOM 776 O PHE A 50 -2.698 -7.960 -3.851 1.00 0.00 O ATOM 777 CB PHE A 50 -4.823 -9.931 -2.349 1.00 0.00 C ATOM 778 CG PHE A 50 -3.916 -10.951 -2.977 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.649 -10.916 -4.336 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.330 -11.943 -2.208 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.814 -11.852 -4.917 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.494 -12.882 -2.783 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.237 -12.837 -4.140 1.00 0.00 C ATOM 0 H PHE A 50 -5.961 -7.986 -1.228 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.190 -8.812 -1.511 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.239 -10.343 -1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.661 -9.739 -3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.098 -10.148 -4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.528 -11.983 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.613 -11.813 -5.977 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.042 -13.650 -2.172 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.586 -13.571 -4.592 1.00 0.00 H new ATOM 793 N SER A 51 -4.787 -7.123 -3.832 1.00 0.00 N ATOM 794 CA SER A 51 -4.613 -6.366 -5.066 1.00 0.00 C ATOM 795 C SER A 51 -3.654 -5.198 -4.857 1.00 0.00 C ATOM 796 O SER A 51 -3.015 -4.730 -5.798 1.00 0.00 O ATOM 797 CB SER A 51 -5.962 -5.850 -5.568 1.00 0.00 C ATOM 798 OG SER A 51 -6.738 -6.900 -6.118 1.00 0.00 O ATOM 0 H SER A 51 -5.710 -7.031 -3.408 1.00 0.00 H new ATOM 0 HA SER A 51 -4.187 -7.034 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.505 -5.384 -4.746 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.802 -5.079 -6.322 1.00 0.00 H new ATOM 0 HG SER A 51 -7.596 -6.544 -6.430 1.00 0.00 H new ATOM 804 N GLN A 52 -3.561 -4.732 -3.615 1.00 0.00 N ATOM 805 CA GLN A 52 -2.682 -3.618 -3.281 1.00 0.00 C ATOM 806 C GLN A 52 -1.252 -4.100 -3.062 1.00 0.00 C ATOM 807 O GLN A 52 -0.294 -3.442 -3.471 1.00 0.00 O ATOM 808 CB GLN A 52 -3.188 -2.899 -2.030 1.00 0.00 C ATOM 809 CG GLN A 52 -2.892 -3.644 -0.738 1.00 0.00 C ATOM 810 CD GLN A 52 -3.155 -2.803 0.495 1.00 0.00 C ATOM 811 OE1 GLN A 52 -3.652 -1.680 0.400 1.00 0.00 O ATOM 812 NE2 GLN A 52 -2.824 -3.343 1.662 1.00 0.00 N ATOM 0 H GLN A 52 -4.084 -5.109 -2.824 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.686 -2.921 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.734 -1.909 -1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.265 -2.752 -2.116 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.503 -4.546 -0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.850 -3.965 -0.739 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.415 -4.277 1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.979 -2.824 2.526 1.00 0.00 H new ATOM 821 N LEU A 53 -1.114 -5.252 -2.414 1.00 0.00 N ATOM 822 CA LEU A 53 0.200 -5.823 -2.140 1.00 0.00 C ATOM 823 C LEU A 53 0.997 -5.999 -3.429 1.00 0.00 C ATOM 824 O LEU A 53 2.101 -5.472 -3.565 1.00 0.00 O ATOM 825 CB LEU A 53 0.055 -7.169 -1.429 1.00 0.00 C ATOM 826 CG LEU A 53 -0.264 -7.108 0.065 1.00 0.00 C ATOM 827 CD1 LEU A 53 -0.676 -8.478 0.580 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.933 -6.582 0.845 1.00 0.00 C ATOM 0 H LEU A 53 -1.896 -5.809 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 53 0.740 -5.133 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.732 -7.736 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.982 -7.728 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.098 -6.422 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.899 -8.414 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.562 -8.817 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.137 -9.186 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.688 -6.545 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.786 -7.243 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.183 -5.580 0.496 1.00 0.00 H new ATOM 840 N ALA A 54 0.429 -6.742 -4.373 1.00 0.00 N ATOM 841 CA ALA A 54 1.084 -6.984 -5.652 1.00 0.00 C ATOM 842 C ALA A 54 1.606 -5.685 -6.257 1.00 0.00 C ATOM 843 O ALA A 54 2.805 -5.534 -6.486 1.00 0.00 O ATOM 844 CB ALA A 54 0.125 -7.668 -6.615 1.00 0.00 C ATOM 0 H ALA A 54 -0.484 -7.187 -4.276 1.00 0.00 H new ATOM 0 HA ALA A 54 1.936 -7.641 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.628 -7.843 -7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.196 -8.621 -6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.745 -7.031 -6.776 1.00 0.00 H new ATOM 850 N GLU A 55 0.696 -4.749 -6.513 1.00 0.00 N ATOM 851 CA GLU A 55 1.066 -3.463 -7.092 1.00 0.00 C ATOM 852 C GLU A 55 2.311 -2.899 -6.414 1.00 0.00 C ATOM 853 O GLU A 55 3.250 -2.463 -7.079 1.00 0.00 O ATOM 854 CB GLU A 55 -0.091 -2.470 -6.966 1.00 0.00 C ATOM 855 CG GLU A 55 0.218 -1.099 -7.544 1.00 0.00 C ATOM 856 CD GLU A 55 -1.025 -0.251 -7.730 1.00 0.00 C ATOM 857 OE1 GLU A 55 -1.703 0.036 -6.721 1.00 0.00 O ATOM 858 OE2 GLU A 55 -1.321 0.125 -8.883 1.00 0.00 O ATOM 0 H GLU A 55 -0.301 -4.858 -6.329 1.00 0.00 H new ATOM 0 HA GLU A 55 1.288 -3.619 -8.148 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.966 -2.879 -7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.352 -2.361 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.913 -0.579 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.719 -1.218 -8.505 1.00 0.00 H new ATOM 865 N ALA A 56 2.311 -2.911 -5.085 1.00 0.00 N ATOM 866 CA ALA A 56 3.440 -2.403 -4.316 1.00 0.00 C ATOM 867 C ALA A 56 4.733 -3.108 -4.708 1.00 0.00 C ATOM 868 O ALA A 56 5.681 -2.473 -5.173 1.00 0.00 O ATOM 869 CB ALA A 56 3.179 -2.565 -2.826 1.00 0.00 C ATOM 0 H ALA A 56 1.541 -3.267 -4.519 1.00 0.00 H new ATOM 0 HA ALA A 56 3.553 -1.342 -4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.030 -2.181 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.283 -2.009 -2.551 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.037 -3.621 -2.594 1.00 0.00 H new ATOM 875 N TYR A 57 4.767 -4.422 -4.518 1.00 0.00 N ATOM 876 CA TYR A 57 5.946 -5.213 -4.850 1.00 0.00 C ATOM 877 C TYR A 57 6.412 -4.925 -6.274 1.00 0.00 C ATOM 878 O TYR A 57 7.602 -4.735 -6.522 1.00 0.00 O ATOM 879 CB TYR A 57 5.647 -6.704 -4.690 1.00 0.00 C ATOM 880 CG TYR A 57 6.776 -7.600 -5.146 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.950 -7.702 -4.410 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.669 -8.345 -6.314 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.984 -8.519 -4.824 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.697 -9.166 -6.735 1.00 0.00 C ATOM 885 CZ TYR A 57 8.853 -9.249 -5.987 1.00 0.00 C ATOM 886 OH TYR A 57 9.881 -10.065 -6.403 1.00 0.00 O ATOM 0 H TYR A 57 3.991 -4.962 -4.136 1.00 0.00 H new ATOM 0 HA TYR A 57 6.745 -4.934 -4.163 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.430 -6.912 -3.642 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.749 -6.949 -5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.056 -7.133 -3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.766 -8.281 -6.903 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.890 -8.586 -4.240 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.596 -9.740 -7.645 1.00 0.00 H new ATOM 0 HH TYR A 57 9.628 -10.509 -7.239 1.00 0.00 H new ATOM 896 N GLU A 58 5.463 -4.896 -7.205 1.00 0.00 N ATOM 897 CA GLU A 58 5.776 -4.633 -8.605 1.00 0.00 C ATOM 898 C GLU A 58 6.522 -3.310 -8.756 1.00 0.00 C ATOM 899 O GLU A 58 7.551 -3.238 -9.427 1.00 0.00 O ATOM 900 CB GLU A 58 4.494 -4.606 -9.440 1.00 0.00 C ATOM 901 CG GLU A 58 4.729 -4.274 -10.904 1.00 0.00 C ATOM 902 CD GLU A 58 3.484 -4.454 -11.750 1.00 0.00 C ATOM 903 OE1 GLU A 58 2.755 -5.444 -11.531 1.00 0.00 O ATOM 904 OE2 GLU A 58 3.238 -3.604 -12.632 1.00 0.00 O ATOM 0 H GLU A 58 4.473 -5.051 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 58 6.419 -5.436 -8.965 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.004 -5.577 -9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.809 -3.872 -9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.075 -3.244 -10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.524 -4.910 -11.294 1.00 0.00 H new ATOM 911 N VAL A 59 5.995 -2.265 -8.127 1.00 0.00 N ATOM 912 CA VAL A 59 6.610 -0.944 -8.190 1.00 0.00 C ATOM 913 C VAL A 59 7.989 -0.949 -7.542 1.00 0.00 C ATOM 914 O VAL A 59 8.987 -0.603 -8.177 1.00 0.00 O ATOM 915 CB VAL A 59 5.733 0.117 -7.498 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.539 1.376 -7.220 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.511 0.433 -8.346 1.00 0.00 C ATOM 0 H VAL A 59 5.143 -2.307 -7.568 1.00 0.00 H new ATOM 0 HA VAL A 59 6.709 -0.691 -9.246 1.00 0.00 H new ATOM 0 HB VAL A 59 5.391 -0.285 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.903 2.114 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.380 1.134 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.912 1.784 -8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.903 1.184 -7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.830 0.815 -9.316 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.923 -0.474 -8.489 1.00 0.00 H new ATOM 927 N LEU A 60 8.040 -1.343 -6.275 1.00 0.00 N ATOM 928 CA LEU A 60 9.299 -1.394 -5.539 1.00 0.00 C ATOM 929 C LEU A 60 10.289 -2.336 -6.218 1.00 0.00 C ATOM 930 O LEU A 60 11.353 -1.913 -6.670 1.00 0.00 O ATOM 931 CB LEU A 60 9.053 -1.847 -4.099 1.00 0.00 C ATOM 932 CG LEU A 60 8.248 -0.887 -3.222 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.762 -1.592 -1.965 1.00 0.00 C ATOM 934 CD2 LEU A 60 9.082 0.334 -2.862 1.00 0.00 C ATOM 0 H LEU A 60 7.224 -1.632 -5.735 1.00 0.00 H new ATOM 0 HA LEU A 60 9.727 -0.391 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.535 -2.806 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.019 -2.019 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 60 7.377 -0.554 -3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.191 -0.893 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.127 -2.434 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.619 -1.955 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.493 1.006 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.972 0.019 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.380 0.853 -3.773 1.00 0.00 H new ATOM 946 N SER A 61 9.929 -3.613 -6.288 1.00 0.00 N ATOM 947 CA SER A 61 10.786 -4.615 -6.911 1.00 0.00 C ATOM 948 C SER A 61 11.531 -4.027 -8.105 1.00 0.00 C ATOM 949 O SER A 61 12.754 -4.131 -8.200 1.00 0.00 O ATOM 950 CB SER A 61 9.956 -5.821 -7.357 1.00 0.00 C ATOM 951 OG SER A 61 9.037 -5.459 -8.373 1.00 0.00 O ATOM 0 H SER A 61 9.050 -3.978 -5.921 1.00 0.00 H new ATOM 0 HA SER A 61 11.519 -4.940 -6.172 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.617 -6.606 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.416 -6.231 -6.503 1.00 0.00 H new ATOM 0 HG SER A 61 8.414 -4.787 -8.026 1.00 0.00 H new ATOM 957 N ASP A 62 10.785 -3.409 -9.013 1.00 0.00 N ATOM 958 CA ASP A 62 11.373 -2.802 -10.202 1.00 0.00 C ATOM 959 C ASP A 62 12.220 -1.588 -9.830 1.00 0.00 C ATOM 960 O ASP A 62 11.829 -0.783 -8.986 1.00 0.00 O ATOM 961 CB ASP A 62 10.278 -2.392 -11.187 1.00 0.00 C ATOM 962 CG ASP A 62 10.765 -2.378 -12.622 1.00 0.00 C ATOM 963 OD1 ASP A 62 10.760 -3.451 -13.262 1.00 0.00 O ATOM 964 OD2 ASP A 62 11.152 -1.294 -13.107 1.00 0.00 O ATOM 0 H ASP A 62 9.771 -3.315 -8.949 1.00 0.00 H new ATOM 0 HA ASP A 62 12.018 -3.542 -10.676 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.438 -3.080 -11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.908 -1.401 -10.922 1.00 0.00 H new ATOM 969 N GLU A 63 13.381 -1.466 -10.465 1.00 0.00 N ATOM 970 CA GLU A 63 14.283 -0.352 -10.199 1.00 0.00 C ATOM 971 C GLU A 63 13.774 0.929 -10.853 1.00 0.00 C ATOM 972 O GLU A 63 14.011 2.030 -10.357 1.00 0.00 O ATOM 973 CB GLU A 63 15.690 -0.673 -10.707 1.00 0.00 C ATOM 974 CG GLU A 63 16.153 -2.080 -10.369 1.00 0.00 C ATOM 975 CD GLU A 63 16.659 -2.201 -8.945 1.00 0.00 C ATOM 976 OE1 GLU A 63 17.791 -1.745 -8.677 1.00 0.00 O ATOM 977 OE2 GLU A 63 15.925 -2.751 -8.098 1.00 0.00 O ATOM 0 H GLU A 63 13.719 -2.124 -11.167 1.00 0.00 H new ATOM 0 HA GLU A 63 14.320 -0.198 -9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.715 -0.541 -11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.393 0.044 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.327 -2.776 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.945 -2.373 -11.058 1.00 0.00 H new ATOM 984 N VAL A 64 13.072 0.776 -11.972 1.00 0.00 N ATOM 985 CA VAL A 64 12.528 1.920 -12.696 1.00 0.00 C ATOM 986 C VAL A 64 11.308 2.491 -11.983 1.00 0.00 C ATOM 987 O VAL A 64 11.280 3.667 -11.620 1.00 0.00 O ATOM 988 CB VAL A 64 12.137 1.538 -14.136 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.749 2.776 -14.930 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.274 0.792 -14.817 1.00 0.00 C ATOM 0 H VAL A 64 12.867 -0.128 -12.397 1.00 0.00 H new ATOM 0 HA VAL A 64 13.312 2.676 -12.730 1.00 0.00 H new ATOM 0 HB VAL A 64 11.272 0.876 -14.096 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.476 2.487 -15.945 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.900 3.264 -14.451 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.592 3.466 -14.964 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.980 0.530 -15.833 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.159 1.427 -14.848 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.499 -0.117 -14.259 1.00 0.00 H new ATOM 1000 N LYS A 65 10.298 1.650 -11.785 1.00 0.00 N ATOM 1001 CA LYS A 65 9.073 2.069 -11.114 1.00 0.00 C ATOM 1002 C LYS A 65 9.374 2.611 -9.720 1.00 0.00 C ATOM 1003 O LYS A 65 8.841 3.645 -9.318 1.00 0.00 O ATOM 1004 CB LYS A 65 8.094 0.897 -11.017 1.00 0.00 C ATOM 1005 CG LYS A 65 7.823 0.218 -12.348 1.00 0.00 C ATOM 1006 CD LYS A 65 6.505 -0.538 -12.331 1.00 0.00 C ATOM 1007 CE LYS A 65 5.322 0.402 -12.511 1.00 0.00 C ATOM 1008 NZ LYS A 65 4.051 -0.210 -12.034 1.00 0.00 N ATOM 0 H LYS A 65 10.304 0.674 -12.080 1.00 0.00 H new ATOM 0 HA LYS A 65 8.619 2.865 -11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.490 0.161 -10.317 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.151 1.255 -10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.805 0.965 -13.141 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.636 -0.471 -12.578 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.502 -1.285 -13.125 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.404 -1.075 -11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.507 1.327 -11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.225 0.667 -13.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.269 0.461 -12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.861 -1.080 -12.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.134 -0.439 -11.023 1.00 0.00 H new ATOM 1022 N ARG A 66 10.232 1.906 -8.990 1.00 0.00 N ATOM 1023 CA ARG A 66 10.604 2.318 -7.641 1.00 0.00 C ATOM 1024 C ARG A 66 11.243 3.703 -7.652 1.00 0.00 C ATOM 1025 O ARG A 66 10.783 4.617 -6.966 1.00 0.00 O ATOM 1026 CB ARG A 66 11.570 1.304 -7.024 1.00 0.00 C ATOM 1027 CG ARG A 66 11.778 1.492 -5.530 1.00 0.00 C ATOM 1028 CD ARG A 66 12.970 0.693 -5.029 1.00 0.00 C ATOM 1029 NE ARG A 66 13.040 0.670 -3.570 1.00 0.00 N ATOM 1030 CZ ARG A 66 14.070 0.178 -2.891 1.00 0.00 C ATOM 1031 NH1 ARG A 66 15.111 -0.330 -3.535 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.059 0.193 -1.564 1.00 0.00 N ATOM 0 H ARG A 66 10.682 1.048 -9.309 1.00 0.00 H new ATOM 0 HA ARG A 66 9.697 2.360 -7.038 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.192 0.298 -7.206 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.533 1.379 -7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.930 2.549 -5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.880 1.183 -4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.906 -0.328 -5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.888 1.123 -5.429 1.00 0.00 H new ATOM 0 HE ARG A 66 12.255 1.053 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.123 -0.344 -4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.901 -0.707 -3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.259 0.583 -1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.850 -0.185 -1.043 1.00 0.00 H new ATOM 1046 N LYS A 67 12.306 3.853 -8.435 1.00 0.00 N ATOM 1047 CA LYS A 67 13.009 5.126 -8.537 1.00 0.00 C ATOM 1048 C LYS A 67 12.040 6.258 -8.866 1.00 0.00 C ATOM 1049 O LYS A 67 12.097 7.329 -8.264 1.00 0.00 O ATOM 1050 CB LYS A 67 14.099 5.047 -9.608 1.00 0.00 C ATOM 1051 CG LYS A 67 15.407 4.464 -9.102 1.00 0.00 C ATOM 1052 CD LYS A 67 16.293 4.004 -10.248 1.00 0.00 C ATOM 1053 CE LYS A 67 17.461 3.167 -9.748 1.00 0.00 C ATOM 1054 NZ LYS A 67 18.328 2.702 -10.866 1.00 0.00 N ATOM 0 H LYS A 67 12.700 3.107 -9.009 1.00 0.00 H new ATOM 0 HA LYS A 67 13.471 5.335 -7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.738 4.440 -10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.284 6.047 -10.001 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.935 5.212 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.200 3.623 -8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.702 3.421 -10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.671 4.872 -10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.055 3.754 -9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.082 2.305 -9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.112 2.135 -10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.767 2.121 -11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.711 3.525 -11.374 1.00 0.00 H new ATOM 1068 N GLN A 68 11.152 6.010 -9.823 1.00 0.00 N ATOM 1069 CA GLN A 68 10.170 7.009 -10.230 1.00 0.00 C ATOM 1070 C GLN A 68 9.157 7.261 -9.118 1.00 0.00 C ATOM 1071 O GLN A 68 8.713 8.391 -8.914 1.00 0.00 O ATOM 1072 CB GLN A 68 9.449 6.557 -11.501 1.00 0.00 C ATOM 1073 CG GLN A 68 10.330 6.574 -12.739 1.00 0.00 C ATOM 1074 CD GLN A 68 10.289 7.904 -13.466 1.00 0.00 C ATOM 1075 OE1 GLN A 68 9.266 8.589 -13.473 1.00 0.00 O ATOM 1076 NE2 GLN A 68 11.404 8.276 -14.084 1.00 0.00 N ATOM 0 H GLN A 68 11.092 5.127 -10.331 1.00 0.00 H new ATOM 0 HA GLN A 68 10.698 7.941 -10.432 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.066 5.548 -11.352 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.588 7.203 -11.669 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.358 6.353 -12.452 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.011 5.783 -13.418 1.00 0.00 H new ATOM 0 HE21 GLN A 68 12.229 7.677 -14.052 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.436 9.161 -14.590 1.00 0.00 H new ATOM 1085 N TYR A 69 8.795 6.202 -8.403 1.00 0.00 N ATOM 1086 CA TYR A 69 7.832 6.308 -7.313 1.00 0.00 C ATOM 1087 C TYR A 69 8.390 7.156 -6.174 1.00 0.00 C ATOM 1088 O TYR A 69 7.723 8.063 -5.676 1.00 0.00 O ATOM 1089 CB TYR A 69 7.461 4.918 -6.795 1.00 0.00 C ATOM 1090 CG TYR A 69 7.050 4.903 -5.340 1.00 0.00 C ATOM 1091 CD1 TYR A 69 6.027 5.723 -4.879 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.684 4.070 -4.427 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.649 5.713 -3.550 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.312 4.053 -3.097 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.294 4.877 -2.663 1.00 0.00 C ATOM 1096 OH TYR A 69 5.920 4.863 -1.339 1.00 0.00 O ATOM 0 H TYR A 69 9.154 5.260 -8.558 1.00 0.00 H new ATOM 0 HA TYR A 69 6.936 6.795 -7.699 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.645 4.521 -7.398 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.312 4.250 -6.930 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.519 6.379 -5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.482 3.424 -4.763 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.852 6.357 -3.208 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.815 3.398 -2.401 1.00 0.00 H new ATOM 0 HH TYR A 69 6.689 4.615 -0.784 1.00 0.00 H new ATOM 1106 N ASP A 70 9.618 6.853 -5.767 1.00 0.00 N ATOM 1107 CA ASP A 70 10.268 7.587 -4.687 1.00 0.00 C ATOM 1108 C ASP A 70 10.468 9.051 -5.069 1.00 0.00 C ATOM 1109 O ASP A 70 10.287 9.947 -4.246 1.00 0.00 O ATOM 1110 CB ASP A 70 11.614 6.947 -4.346 1.00 0.00 C ATOM 1111 CG ASP A 70 12.063 7.262 -2.932 1.00 0.00 C ATOM 1112 OD1 ASP A 70 11.438 6.744 -1.983 1.00 0.00 O ATOM 1113 OD2 ASP A 70 13.037 8.027 -2.775 1.00 0.00 O ATOM 0 H ASP A 70 10.183 6.105 -6.168 1.00 0.00 H new ATOM 0 HA ASP A 70 9.622 7.544 -3.810 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.541 5.866 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.369 7.297 -5.050 1.00 0.00 H new ATOM 1118 N ALA A 71 10.845 9.284 -6.322 1.00 0.00 N ATOM 1119 CA ALA A 71 11.070 10.638 -6.813 1.00 0.00 C ATOM 1120 C ALA A 71 9.805 11.481 -6.696 1.00 0.00 C ATOM 1121 O ALA A 71 9.847 12.621 -6.232 1.00 0.00 O ATOM 1122 CB ALA A 71 11.552 10.603 -8.255 1.00 0.00 C ATOM 0 H ALA A 71 11.001 8.553 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 71 11.841 11.099 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.716 11.621 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.486 10.044 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.800 10.119 -8.878 1.00 0.00 H new ATOM 1128 N TYR A 72 8.681 10.914 -7.120 1.00 0.00 N ATOM 1129 CA TYR A 72 7.403 11.615 -7.066 1.00 0.00 C ATOM 1130 C TYR A 72 6.906 11.731 -5.629 1.00 0.00 C ATOM 1131 O TYR A 72 6.183 12.664 -5.283 1.00 0.00 O ATOM 1132 CB TYR A 72 6.363 10.890 -7.921 1.00 0.00 C ATOM 1133 CG TYR A 72 6.411 11.268 -9.384 1.00 0.00 C ATOM 1134 CD1 TYR A 72 7.543 11.016 -10.150 1.00 0.00 C ATOM 1135 CD2 TYR A 72 5.326 11.879 -10.000 1.00 0.00 C ATOM 1136 CE1 TYR A 72 7.592 11.360 -11.487 1.00 0.00 C ATOM 1137 CE2 TYR A 72 5.365 12.225 -11.337 1.00 0.00 C ATOM 1138 CZ TYR A 72 6.500 11.964 -12.076 1.00 0.00 C ATOM 1139 OH TYR A 72 6.544 12.310 -13.407 1.00 0.00 O ATOM 0 H TYR A 72 8.629 9.971 -7.505 1.00 0.00 H new ATOM 0 HA TYR A 72 7.552 12.620 -7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.514 9.815 -7.827 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.369 11.108 -7.531 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.399 10.543 -9.692 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.437 12.087 -9.424 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.480 11.157 -12.068 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.512 12.697 -11.801 1.00 0.00 H new ATOM 0 HH TYR A 72 5.694 12.724 -13.666 1.00 0.00 H new ATOM 1149 N GLY A 73 7.299 10.773 -4.794 1.00 0.00 N ATOM 1150 CA GLY A 73 6.885 10.785 -3.403 1.00 0.00 C ATOM 1151 C GLY A 73 7.218 12.092 -2.711 1.00 0.00 C ATOM 1152 O GLY A 73 6.387 12.651 -1.994 1.00 0.00 O ATOM 0 H GLY A 73 7.897 9.989 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.811 10.610 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.370 9.964 -2.875 1.00 0.00 H new ATOM 1156 N SER A 74 8.436 12.579 -2.922 1.00 0.00 N ATOM 1157 CA SER A 74 8.878 13.825 -2.308 1.00 0.00 C ATOM 1158 C SER A 74 9.101 14.903 -3.365 1.00 0.00 C ATOM 1159 O SER A 74 9.073 14.627 -4.564 1.00 0.00 O ATOM 1160 CB SER A 74 10.167 13.598 -1.515 1.00 0.00 C ATOM 1161 OG SER A 74 10.308 14.561 -0.484 1.00 0.00 O ATOM 0 H SER A 74 9.135 12.129 -3.514 1.00 0.00 H new ATOM 0 HA SER A 74 8.096 14.164 -1.628 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.161 12.597 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.024 13.651 -2.186 1.00 0.00 H new ATOM 0 HG SER A 74 11.138 14.393 0.009 1.00 0.00 H new ATOM 1167 N GLY A 75 9.323 16.132 -2.910 1.00 0.00 N ATOM 1168 CA GLY A 75 9.547 17.233 -3.828 1.00 0.00 C ATOM 1169 C GLY A 75 10.307 18.378 -3.187 1.00 0.00 C ATOM 1170 O GLY A 75 11.537 18.383 -3.136 1.00 0.00 O ATOM 0 H GLY A 75 9.352 16.385 -1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.102 16.873 -4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.587 17.598 -4.194 1.00 0.00 H new ATOM 1174 N PRO A 76 9.567 19.376 -2.683 1.00 0.00 N ATOM 1175 CA PRO A 76 10.158 20.550 -2.034 1.00 0.00 C ATOM 1176 C PRO A 76 10.792 20.211 -0.689 1.00 0.00 C ATOM 1177 O PRO A 76 11.855 20.727 -0.346 1.00 0.00 O ATOM 1178 CB PRO A 76 8.963 21.487 -1.841 1.00 0.00 C ATOM 1179 CG PRO A 76 7.778 20.586 -1.793 1.00 0.00 C ATOM 1180 CD PRO A 76 8.096 19.436 -2.709 1.00 0.00 C ATOM 0 HA PRO A 76 10.964 20.981 -2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.058 22.065 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.884 22.201 -2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.594 20.237 -0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 76 6.878 21.107 -2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.650 18.506 -2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.719 19.609 -3.717 1.00 0.00 H new ATOM 1188 N SER A 77 10.132 19.341 0.068 1.00 0.00 N ATOM 1189 CA SER A 77 10.630 18.935 1.378 1.00 0.00 C ATOM 1190 C SER A 77 12.139 18.715 1.340 1.00 0.00 C ATOM 1191 O SER A 77 12.898 19.429 1.995 1.00 0.00 O ATOM 1192 CB SER A 77 9.927 17.658 1.841 1.00 0.00 C ATOM 1193 OG SER A 77 9.874 17.589 3.255 1.00 0.00 O ATOM 0 H SER A 77 9.251 18.903 -0.203 1.00 0.00 H new ATOM 0 HA SER A 77 10.415 19.735 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.916 17.628 1.434 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.454 16.787 1.451 1.00 0.00 H new ATOM 0 HG SER A 77 9.418 16.765 3.525 1.00 0.00 H new ATOM 1199 N SER A 78 12.566 17.720 0.569 1.00 0.00 N ATOM 1200 CA SER A 78 13.984 17.401 0.449 1.00 0.00 C ATOM 1201 C SER A 78 14.530 17.855 -0.902 1.00 0.00 C ATOM 1202 O SER A 78 15.307 18.805 -0.983 1.00 0.00 O ATOM 1203 CB SER A 78 14.207 15.898 0.623 1.00 0.00 C ATOM 1204 OG SER A 78 15.537 15.623 1.028 1.00 0.00 O ATOM 0 H SER A 78 11.951 17.121 0.018 1.00 0.00 H new ATOM 0 HA SER A 78 14.519 17.933 1.235 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.510 15.507 1.364 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.996 15.385 -0.315 1.00 0.00 H new ATOM 0 HG SER A 78 15.653 14.656 1.134 1.00 0.00 H new ATOM 1210 N GLY A 79 14.116 17.166 -1.962 1.00 0.00 N ATOM 1211 CA GLY A 79 14.572 17.512 -3.295 1.00 0.00 C ATOM 1212 C GLY A 79 14.008 18.834 -3.777 1.00 0.00 C ATOM 1213 O GLY A 79 13.894 19.066 -4.980 1.00 0.00 O ATOM 0 H GLY A 79 13.473 16.375 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.661 17.561 -3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.284 16.723 -3.990 1.00 0.00 H new TER 1217 GLY A 79