USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 534 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0682 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 105:sc= 0.0867 USER MOD Single : A 13 THR OG1 : rot 158:sc= 1.02 USER MOD Single : A 15 GLN : amide:sc= -0.684 K(o=-0.68,f=-6.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0042 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.0462 (180deg=-0.34) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0154 (180deg=-0.209) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0492) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.644 22.537 -7.885 1.00 0.00 N ATOM 2 CA GLY A 1 -8.710 22.845 -6.818 1.00 0.00 C ATOM 3 C GLY A 1 -7.703 21.735 -6.591 1.00 0.00 C ATOM 4 O GLY A 1 -7.099 21.233 -7.538 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.311 23.326 -8.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.122 22.392 -8.773 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.170 21.672 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.181 23.768 -7.057 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.263 23.024 -5.896 1.00 0.00 H new ATOM 8 N SER A 2 -7.520 21.353 -5.331 1.00 0.00 N ATOM 9 CA SER A 2 -6.575 20.299 -4.982 1.00 0.00 C ATOM 10 C SER A 2 -7.283 18.954 -4.853 1.00 0.00 C ATOM 11 O SER A 2 -8.464 18.893 -4.510 1.00 0.00 O ATOM 12 CB SER A 2 -5.860 20.639 -3.672 1.00 0.00 C ATOM 13 OG SER A 2 -5.147 21.859 -3.782 1.00 0.00 O ATOM 0 H SER A 2 -8.014 21.758 -4.535 1.00 0.00 H new ATOM 0 HA SER A 2 -5.839 20.227 -5.782 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.589 20.711 -2.865 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.173 19.835 -3.410 1.00 0.00 H new ATOM 0 HG SER A 2 -4.701 22.055 -2.932 1.00 0.00 H new ATOM 19 N SER A 3 -6.553 17.879 -5.131 1.00 0.00 N ATOM 20 CA SER A 3 -7.112 16.534 -5.051 1.00 0.00 C ATOM 21 C SER A 3 -7.073 16.014 -3.617 1.00 0.00 C ATOM 22 O SER A 3 -8.038 15.427 -3.131 1.00 0.00 O ATOM 23 CB SER A 3 -6.343 15.584 -5.971 1.00 0.00 C ATOM 24 OG SER A 3 -5.024 15.373 -5.499 1.00 0.00 O ATOM 0 H SER A 3 -5.573 17.913 -5.414 1.00 0.00 H new ATOM 0 HA SER A 3 -8.152 16.579 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.867 14.630 -6.034 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.310 15.997 -6.979 1.00 0.00 H new ATOM 0 HG SER A 3 -4.554 14.761 -6.103 1.00 0.00 H new ATOM 30 N GLY A 4 -5.946 16.235 -2.945 1.00 0.00 N ATOM 31 CA GLY A 4 -5.801 15.784 -1.573 1.00 0.00 C ATOM 32 C GLY A 4 -5.139 14.423 -1.478 1.00 0.00 C ATOM 33 O GLY A 4 -5.720 13.413 -1.871 1.00 0.00 O ATOM 0 H GLY A 4 -5.132 16.718 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.211 16.511 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.783 15.741 -1.102 1.00 0.00 H new ATOM 37 N SER A 5 -3.916 14.397 -0.956 1.00 0.00 N ATOM 38 CA SER A 5 -3.171 13.152 -0.816 1.00 0.00 C ATOM 39 C SER A 5 -2.676 12.974 0.616 1.00 0.00 C ATOM 40 O SER A 5 -1.908 13.789 1.126 1.00 0.00 O ATOM 41 CB SER A 5 -1.986 13.130 -1.784 1.00 0.00 C ATOM 42 OG SER A 5 -1.115 12.050 -1.498 1.00 0.00 O ATOM 0 H SER A 5 -3.421 15.224 -0.623 1.00 0.00 H new ATOM 0 HA SER A 5 -3.842 12.327 -1.056 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.350 13.046 -2.808 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.439 14.070 -1.716 1.00 0.00 H new ATOM 0 HG SER A 5 -0.367 12.057 -2.131 1.00 0.00 H new ATOM 48 N SER A 6 -3.122 11.900 1.260 1.00 0.00 N ATOM 49 CA SER A 6 -2.728 11.614 2.635 1.00 0.00 C ATOM 50 C SER A 6 -1.711 10.479 2.684 1.00 0.00 C ATOM 51 O SER A 6 -1.773 9.612 3.555 1.00 0.00 O ATOM 52 CB SER A 6 -3.954 11.253 3.475 1.00 0.00 C ATOM 53 OG SER A 6 -3.740 11.548 4.844 1.00 0.00 O ATOM 0 H SER A 6 -3.756 11.214 0.852 1.00 0.00 H new ATOM 0 HA SER A 6 -2.265 12.510 3.048 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.822 11.804 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.178 10.193 3.359 1.00 0.00 H new ATOM 0 HG SER A 6 -4.539 11.309 5.359 1.00 0.00 H new ATOM 59 N GLY A 7 -0.774 10.489 1.741 1.00 0.00 N ATOM 60 CA GLY A 7 0.243 9.456 1.693 1.00 0.00 C ATOM 61 C GLY A 7 1.558 9.907 2.298 1.00 0.00 C ATOM 62 O GLY A 7 2.092 10.951 1.926 1.00 0.00 O ATOM 0 H GLY A 7 -0.701 11.195 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.114 8.574 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.406 9.159 0.657 1.00 0.00 H new ATOM 66 N GLU A 8 2.078 9.119 3.234 1.00 0.00 N ATOM 67 CA GLU A 8 3.338 9.447 3.893 1.00 0.00 C ATOM 68 C GLU A 8 4.498 8.689 3.256 1.00 0.00 C ATOM 69 O GLU A 8 5.487 9.289 2.834 1.00 0.00 O ATOM 70 CB GLU A 8 3.257 9.119 5.385 1.00 0.00 C ATOM 71 CG GLU A 8 2.470 10.138 6.191 1.00 0.00 C ATOM 72 CD GLU A 8 2.863 10.154 7.655 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.033 10.471 7.953 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.998 9.849 8.504 1.00 0.00 O ATOM 0 H GLU A 8 1.648 8.251 3.553 1.00 0.00 H new ATOM 0 HA GLU A 8 3.516 10.516 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.798 8.138 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.267 9.051 5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.625 11.130 5.766 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.406 9.918 6.107 1.00 0.00 H new ATOM 81 N GLU A 9 4.369 7.368 3.190 1.00 0.00 N ATOM 82 CA GLU A 9 5.408 6.528 2.606 1.00 0.00 C ATOM 83 C GLU A 9 4.847 5.681 1.466 1.00 0.00 C ATOM 84 O GLU A 9 3.990 4.822 1.679 1.00 0.00 O ATOM 85 CB GLU A 9 6.023 5.621 3.674 1.00 0.00 C ATOM 86 CG GLU A 9 7.098 6.302 4.505 1.00 0.00 C ATOM 87 CD GLU A 9 7.611 5.423 5.628 1.00 0.00 C ATOM 88 OE1 GLU A 9 6.880 4.497 6.038 1.00 0.00 O ATOM 89 OE2 GLU A 9 8.745 5.659 6.097 1.00 0.00 O ATOM 0 H GLU A 9 3.556 6.857 3.533 1.00 0.00 H new ATOM 0 HA GLU A 9 6.183 7.181 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.233 5.267 4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.451 4.743 3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.930 6.581 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.697 7.225 4.925 1.00 0.00 H new ATOM 96 N LYS A 10 5.335 5.930 0.255 1.00 0.00 N ATOM 97 CA LYS A 10 4.885 5.192 -0.918 1.00 0.00 C ATOM 98 C LYS A 10 5.559 3.825 -0.993 1.00 0.00 C ATOM 99 O LYS A 10 6.777 3.731 -1.149 1.00 0.00 O ATOM 100 CB LYS A 10 5.179 5.988 -2.191 1.00 0.00 C ATOM 101 CG LYS A 10 4.121 7.029 -2.515 1.00 0.00 C ATOM 102 CD LYS A 10 4.168 7.436 -3.978 1.00 0.00 C ATOM 103 CE LYS A 10 2.845 8.028 -4.436 1.00 0.00 C ATOM 104 NZ LYS A 10 2.820 8.265 -5.905 1.00 0.00 N ATOM 0 H LYS A 10 6.043 6.638 0.061 1.00 0.00 H new ATOM 0 HA LYS A 10 3.809 5.042 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.144 6.484 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.266 5.297 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.134 6.632 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.270 7.908 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.965 8.164 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.410 6.567 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.033 7.354 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.668 8.968 -3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.901 8.669 -6.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.579 8.928 -6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.963 7.364 -6.404 1.00 0.00 H new ATOM 118 N TYR A 11 4.760 2.770 -0.885 1.00 0.00 N ATOM 119 CA TYR A 11 5.281 1.409 -0.939 1.00 0.00 C ATOM 120 C TYR A 11 4.968 0.760 -2.285 1.00 0.00 C ATOM 121 O TYR A 11 4.375 1.384 -3.165 1.00 0.00 O ATOM 122 CB TYR A 11 4.690 0.568 0.193 1.00 0.00 C ATOM 123 CG TYR A 11 5.508 0.606 1.465 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.963 1.811 1.986 1.00 0.00 C ATOM 125 CD2 TYR A 11 5.829 -0.563 2.143 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.710 1.850 3.147 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.576 -0.534 3.304 1.00 0.00 C ATOM 128 CZ TYR A 11 7.014 0.675 3.803 1.00 0.00 C ATOM 129 OH TYR A 11 7.760 0.709 4.959 1.00 0.00 O ATOM 0 H TYR A 11 3.750 2.830 -0.760 1.00 0.00 H new ATOM 0 HA TYR A 11 6.363 1.457 -0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.682 0.921 0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.601 -0.466 -0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.729 2.733 1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.488 -1.512 1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.054 2.795 3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.816 -1.453 3.818 1.00 0.00 H new ATOM 0 HH TYR A 11 7.175 0.558 5.730 1.00 0.00 H new ATOM 139 N VAL A 12 5.369 -0.498 -2.436 1.00 0.00 N ATOM 140 CA VAL A 12 5.132 -1.233 -3.671 1.00 0.00 C ATOM 141 C VAL A 12 4.647 -2.650 -3.383 1.00 0.00 C ATOM 142 O VAL A 12 5.142 -3.316 -2.473 1.00 0.00 O ATOM 143 CB VAL A 12 6.404 -1.305 -4.536 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.271 -2.388 -5.595 1.00 0.00 C ATOM 145 CG2 VAL A 12 6.689 0.046 -5.176 1.00 0.00 C ATOM 0 H VAL A 12 5.860 -1.029 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 12 4.360 -0.691 -4.217 1.00 0.00 H new ATOM 0 HB VAL A 12 7.245 -1.562 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.180 -2.423 -6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.118 -3.353 -5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.419 -2.166 -6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.591 -0.022 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.848 0.335 -5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.832 0.795 -4.397 1.00 0.00 H new ATOM 155 N THR A 13 3.674 -3.108 -4.165 1.00 0.00 N ATOM 156 CA THR A 13 3.120 -4.445 -3.994 1.00 0.00 C ATOM 157 C THR A 13 3.888 -5.467 -4.823 1.00 0.00 C ATOM 158 O THR A 13 3.978 -5.351 -6.046 1.00 0.00 O ATOM 159 CB THR A 13 1.633 -4.492 -4.391 1.00 0.00 C ATOM 160 OG1 THR A 13 1.497 -4.311 -5.805 1.00 0.00 O ATOM 161 CG2 THR A 13 0.843 -3.418 -3.659 1.00 0.00 C ATOM 0 H THR A 13 3.253 -2.572 -4.924 1.00 0.00 H new ATOM 0 HA THR A 13 3.214 -4.694 -2.937 1.00 0.00 H new ATOM 0 HB THR A 13 1.236 -5.468 -4.110 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.641 -4.685 -6.102 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.204 -3.471 -3.956 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.924 -3.576 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.243 -2.436 -3.912 1.00 0.00 H new ATOM 169 N VAL A 14 4.441 -6.472 -4.151 1.00 0.00 N ATOM 170 CA VAL A 14 5.201 -7.517 -4.825 1.00 0.00 C ATOM 171 C VAL A 14 4.308 -8.698 -5.188 1.00 0.00 C ATOM 172 O VAL A 14 4.714 -9.589 -5.934 1.00 0.00 O ATOM 173 CB VAL A 14 6.366 -8.018 -3.951 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.502 -7.006 -3.944 1.00 0.00 C ATOM 175 CG2 VAL A 14 5.885 -8.303 -2.537 1.00 0.00 C ATOM 0 H VAL A 14 4.376 -6.584 -3.139 1.00 0.00 H new ATOM 0 HA VAL A 14 5.605 -7.076 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 14 6.744 -8.948 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.316 -7.377 -3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.863 -6.857 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.142 -6.058 -3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.721 -8.656 -1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.481 -7.390 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.108 -9.067 -2.564 1.00 0.00 H new ATOM 185 N GLN A 15 3.091 -8.698 -4.656 1.00 0.00 N ATOM 186 CA GLN A 15 2.140 -9.771 -4.923 1.00 0.00 C ATOM 187 C GLN A 15 0.716 -9.229 -5.002 1.00 0.00 C ATOM 188 O GLN A 15 0.349 -8.278 -4.311 1.00 0.00 O ATOM 189 CB GLN A 15 2.230 -10.844 -3.837 1.00 0.00 C ATOM 190 CG GLN A 15 3.575 -11.550 -3.789 1.00 0.00 C ATOM 191 CD GLN A 15 3.761 -12.530 -4.932 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.000 -12.523 -5.900 1.00 0.00 O ATOM 193 NE2 GLN A 15 4.775 -13.379 -4.825 1.00 0.00 N ATOM 0 H GLN A 15 2.740 -7.967 -4.037 1.00 0.00 H new ATOM 0 HA GLN A 15 2.394 -10.216 -5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.035 -10.385 -2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.447 -11.584 -4.003 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.372 -10.807 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.669 -12.081 -2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.381 -13.349 -4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.949 -14.061 -5.563 1.00 0.00 H new ATOM 202 N PRO A 16 -0.105 -9.846 -5.865 1.00 0.00 N ATOM 203 CA PRO A 16 -1.502 -9.442 -6.054 1.00 0.00 C ATOM 204 C PRO A 16 -2.369 -9.768 -4.843 1.00 0.00 C ATOM 205 O PRO A 16 -2.068 -10.688 -4.081 1.00 0.00 O ATOM 206 CB PRO A 16 -1.946 -10.264 -7.267 1.00 0.00 C ATOM 207 CG PRO A 16 -1.054 -11.457 -7.264 1.00 0.00 C ATOM 208 CD PRO A 16 0.266 -10.985 -6.720 1.00 0.00 C ATOM 0 HA PRO A 16 -1.601 -8.365 -6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.994 -10.553 -7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.842 -9.694 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.469 -12.253 -6.646 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.940 -11.861 -8.270 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.769 -11.767 -6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.945 -10.684 -7.518 1.00 0.00 H new ATOM 216 N TYR A 17 -3.446 -9.009 -4.671 1.00 0.00 N ATOM 217 CA TYR A 17 -4.356 -9.217 -3.551 1.00 0.00 C ATOM 218 C TYR A 17 -5.808 -9.201 -4.018 1.00 0.00 C ATOM 219 O TYR A 17 -6.262 -8.242 -4.644 1.00 0.00 O ATOM 220 CB TYR A 17 -4.139 -8.141 -2.485 1.00 0.00 C ATOM 221 CG TYR A 17 -4.936 -8.371 -1.221 1.00 0.00 C ATOM 222 CD1 TYR A 17 -6.293 -8.079 -1.168 1.00 0.00 C ATOM 223 CD2 TYR A 17 -4.332 -8.881 -0.079 1.00 0.00 C ATOM 224 CE1 TYR A 17 -7.025 -8.288 -0.016 1.00 0.00 C ATOM 225 CE2 TYR A 17 -5.056 -9.094 1.079 1.00 0.00 C ATOM 226 CZ TYR A 17 -6.402 -8.797 1.105 1.00 0.00 C ATOM 227 OH TYR A 17 -7.127 -9.005 2.256 1.00 0.00 O ATOM 0 H TYR A 17 -3.710 -8.245 -5.293 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.144 -10.195 -3.120 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.079 -8.099 -2.234 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.406 -7.170 -2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.784 -7.681 -2.044 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.278 -9.115 -0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.079 -8.054 0.007 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.570 -9.491 1.958 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.540 -9.368 2.951 1.00 0.00 H new ATOM 237 N THR A 18 -6.534 -10.270 -3.710 1.00 0.00 N ATOM 238 CA THR A 18 -7.934 -10.382 -4.097 1.00 0.00 C ATOM 239 C THR A 18 -8.853 -9.882 -2.988 1.00 0.00 C ATOM 240 O THR A 18 -8.967 -10.507 -1.934 1.00 0.00 O ATOM 241 CB THR A 18 -8.308 -11.836 -4.441 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.418 -12.348 -5.439 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.742 -11.922 -4.942 1.00 0.00 C ATOM 0 H THR A 18 -6.175 -11.072 -3.193 1.00 0.00 H new ATOM 0 HA THR A 18 -8.067 -9.761 -4.983 1.00 0.00 H new ATOM 0 HB THR A 18 -8.220 -12.434 -3.534 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.662 -13.273 -5.651 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.983 -12.958 -5.179 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.420 -11.559 -4.169 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.852 -11.310 -5.838 1.00 0.00 H new ATOM 251 N SER A 19 -9.508 -8.752 -3.233 1.00 0.00 N ATOM 252 CA SER A 19 -10.415 -8.166 -2.254 1.00 0.00 C ATOM 253 C SER A 19 -11.805 -8.784 -2.363 1.00 0.00 C ATOM 254 O SER A 19 -12.193 -9.282 -3.420 1.00 0.00 O ATOM 255 CB SER A 19 -10.502 -6.651 -2.449 1.00 0.00 C ATOM 256 OG SER A 19 -10.807 -6.327 -3.794 1.00 0.00 O ATOM 0 H SER A 19 -9.427 -8.224 -4.102 1.00 0.00 H new ATOM 0 HA SER A 19 -10.020 -8.375 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.267 -6.240 -1.790 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.556 -6.190 -2.166 1.00 0.00 H new ATOM 0 HG SER A 19 -10.859 -5.353 -3.892 1.00 0.00 H new ATOM 262 N GLN A 20 -12.551 -8.748 -1.263 1.00 0.00 N ATOM 263 CA GLN A 20 -13.897 -9.305 -1.235 1.00 0.00 C ATOM 264 C GLN A 20 -14.890 -8.301 -0.658 1.00 0.00 C ATOM 265 O GLN A 20 -16.052 -8.260 -1.063 1.00 0.00 O ATOM 266 CB GLN A 20 -13.922 -10.594 -0.411 1.00 0.00 C ATOM 267 CG GLN A 20 -13.558 -11.834 -1.211 1.00 0.00 C ATOM 268 CD GLN A 20 -12.903 -12.905 -0.361 1.00 0.00 C ATOM 269 OE1 GLN A 20 -13.520 -13.452 0.554 1.00 0.00 O ATOM 270 NE2 GLN A 20 -11.646 -13.212 -0.661 1.00 0.00 N ATOM 0 H GLN A 20 -12.245 -8.339 -0.380 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.190 -9.531 -2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.229 -10.495 0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.917 -10.725 0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.458 -12.241 -1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.883 -11.555 -2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.173 -12.733 -1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.154 -13.926 -0.125 1.00 0.00 H new ATOM 279 N SER A 21 -14.424 -7.492 0.288 1.00 0.00 N ATOM 280 CA SER A 21 -15.273 -6.490 0.922 1.00 0.00 C ATOM 281 C SER A 21 -14.588 -5.127 0.932 1.00 0.00 C ATOM 282 O SER A 21 -13.362 -5.033 0.984 1.00 0.00 O ATOM 283 CB SER A 21 -15.614 -6.912 2.353 1.00 0.00 C ATOM 284 OG SER A 21 -16.460 -5.961 2.976 1.00 0.00 O ATOM 0 H SER A 21 -13.464 -7.511 0.632 1.00 0.00 H new ATOM 0 HA SER A 21 -16.194 -6.411 0.344 1.00 0.00 H new ATOM 0 HB2 SER A 21 -16.103 -7.886 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.697 -7.022 2.932 1.00 0.00 H new ATOM 0 HG SER A 21 -16.665 -6.254 3.889 1.00 0.00 H new ATOM 290 N LYS A 22 -15.391 -4.068 0.880 1.00 0.00 N ATOM 291 CA LYS A 22 -14.866 -2.709 0.885 1.00 0.00 C ATOM 292 C LYS A 22 -13.714 -2.573 1.875 1.00 0.00 C ATOM 293 O LYS A 22 -12.680 -1.984 1.561 1.00 0.00 O ATOM 294 CB LYS A 22 -15.975 -1.713 1.236 1.00 0.00 C ATOM 295 CG LYS A 22 -15.642 -0.278 0.867 1.00 0.00 C ATOM 296 CD LYS A 22 -15.668 -0.068 -0.639 1.00 0.00 C ATOM 297 CE LYS A 22 -17.069 0.263 -1.130 1.00 0.00 C ATOM 298 NZ LYS A 22 -17.099 0.497 -2.600 1.00 0.00 N ATOM 0 H LYS A 22 -16.408 -4.127 0.834 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.490 -2.488 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.892 -2.008 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.175 -1.767 2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.356 0.395 1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.656 -0.021 1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.987 0.740 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.309 -0.967 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.745 -0.554 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.435 1.150 -0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.071 0.720 -2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.473 1.293 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.774 -0.358 -3.094 1.00 0.00 H new ATOM 312 N ASP A 23 -13.899 -3.122 3.070 1.00 0.00 N ATOM 313 CA ASP A 23 -12.874 -3.064 4.106 1.00 0.00 C ATOM 314 C ASP A 23 -11.501 -3.397 3.530 1.00 0.00 C ATOM 315 O ASP A 23 -10.513 -2.728 3.830 1.00 0.00 O ATOM 316 CB ASP A 23 -13.213 -4.030 5.243 1.00 0.00 C ATOM 317 CG ASP A 23 -14.705 -4.140 5.483 1.00 0.00 C ATOM 318 OD1 ASP A 23 -15.430 -3.177 5.159 1.00 0.00 O ATOM 319 OD2 ASP A 23 -15.147 -5.189 5.996 1.00 0.00 O ATOM 0 H ASP A 23 -14.750 -3.613 3.346 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.846 -2.048 4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.812 -5.016 5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.724 -3.695 6.158 1.00 0.00 H new ATOM 324 N GLU A 24 -11.448 -4.435 2.702 1.00 0.00 N ATOM 325 CA GLU A 24 -10.196 -4.858 2.087 1.00 0.00 C ATOM 326 C GLU A 24 -10.085 -4.329 0.660 1.00 0.00 C ATOM 327 O GLU A 24 -11.093 -4.131 -0.020 1.00 0.00 O ATOM 328 CB GLU A 24 -10.091 -6.385 2.085 1.00 0.00 C ATOM 329 CG GLU A 24 -10.196 -7.002 3.470 1.00 0.00 C ATOM 330 CD GLU A 24 -10.372 -8.509 3.425 1.00 0.00 C ATOM 331 OE1 GLU A 24 -10.908 -9.012 2.416 1.00 0.00 O ATOM 332 OE2 GLU A 24 -9.972 -9.182 4.397 1.00 0.00 O ATOM 0 H GLU A 24 -12.257 -4.998 2.442 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.376 -4.446 2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.879 -6.795 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.140 -6.675 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.299 -6.761 4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.039 -6.557 3.999 1.00 0.00 H new ATOM 339 N ILE A 25 -8.855 -4.101 0.214 1.00 0.00 N ATOM 340 CA ILE A 25 -8.612 -3.596 -1.132 1.00 0.00 C ATOM 341 C ILE A 25 -7.741 -4.559 -1.933 1.00 0.00 C ATOM 342 O ILE A 25 -6.801 -5.149 -1.404 1.00 0.00 O ATOM 343 CB ILE A 25 -7.933 -2.214 -1.100 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.013 -1.550 -2.476 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.485 -2.345 -0.652 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.791 -0.054 -2.440 1.00 0.00 C ATOM 0 H ILE A 25 -8.011 -4.258 0.765 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.585 -3.504 -1.614 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.459 -1.584 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.271 -2.003 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.991 -1.753 -2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.019 -1.360 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.451 -2.780 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.946 -2.989 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.862 0.349 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.549 0.411 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.802 0.157 -2.034 1.00 0.00 H new ATOM 358 N GLY A 26 -8.063 -4.712 -3.214 1.00 0.00 N ATOM 359 CA GLY A 26 -7.300 -5.603 -4.068 1.00 0.00 C ATOM 360 C GLY A 26 -6.448 -4.854 -5.074 1.00 0.00 C ATOM 361 O GLY A 26 -6.938 -3.974 -5.781 1.00 0.00 O ATOM 0 H GLY A 26 -8.838 -4.235 -3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.659 -6.232 -3.451 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.983 -6.267 -4.598 1.00 0.00 H new ATOM 365 N PHE A 27 -5.167 -5.202 -5.136 1.00 0.00 N ATOM 366 CA PHE A 27 -4.243 -4.555 -6.060 1.00 0.00 C ATOM 367 C PHE A 27 -3.389 -5.588 -6.790 1.00 0.00 C ATOM 368 O PHE A 27 -3.219 -6.711 -6.318 1.00 0.00 O ATOM 369 CB PHE A 27 -3.343 -3.571 -5.310 1.00 0.00 C ATOM 370 CG PHE A 27 -2.875 -4.083 -3.977 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.972 -5.131 -3.901 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.340 -3.516 -2.801 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.540 -5.604 -2.676 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.911 -3.985 -1.573 1.00 0.00 C ATOM 375 CZ PHE A 27 -2.011 -5.031 -1.511 1.00 0.00 C ATOM 0 H PHE A 27 -4.745 -5.928 -4.557 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.831 -4.009 -6.798 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.475 -3.342 -5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.884 -2.636 -5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.601 -5.583 -4.809 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.045 -2.699 -2.844 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.835 -6.421 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.279 -3.534 -0.663 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.676 -5.400 -0.553 1.00 0.00 H new ATOM 385 N GLU A 28 -2.855 -5.198 -7.943 1.00 0.00 N ATOM 386 CA GLU A 28 -2.021 -6.090 -8.739 1.00 0.00 C ATOM 387 C GLU A 28 -0.563 -6.011 -8.296 1.00 0.00 C ATOM 388 O GLU A 28 -0.183 -5.130 -7.524 1.00 0.00 O ATOM 389 CB GLU A 28 -2.134 -5.742 -10.224 1.00 0.00 C ATOM 390 CG GLU A 28 -3.566 -5.664 -10.723 1.00 0.00 C ATOM 391 CD GLU A 28 -3.672 -5.845 -12.226 1.00 0.00 C ATOM 392 OE1 GLU A 28 -3.045 -6.787 -12.754 1.00 0.00 O ATOM 393 OE2 GLU A 28 -4.379 -5.045 -12.872 1.00 0.00 O ATOM 0 H GLU A 28 -2.985 -4.270 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.375 -7.109 -8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.643 -4.785 -10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.596 -6.490 -10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.162 -6.429 -10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.991 -4.699 -10.446 1.00 0.00 H new ATOM 400 N LYS A 29 0.251 -6.939 -8.788 1.00 0.00 N ATOM 401 CA LYS A 29 1.668 -6.975 -8.445 1.00 0.00 C ATOM 402 C LYS A 29 2.480 -6.103 -9.398 1.00 0.00 C ATOM 403 O LYS A 29 2.515 -6.350 -10.603 1.00 0.00 O ATOM 404 CB LYS A 29 2.186 -8.414 -8.486 1.00 0.00 C ATOM 405 CG LYS A 29 3.663 -8.519 -8.823 1.00 0.00 C ATOM 406 CD LYS A 29 4.103 -9.967 -8.961 1.00 0.00 C ATOM 407 CE LYS A 29 5.468 -10.075 -9.623 1.00 0.00 C ATOM 408 NZ LYS A 29 5.429 -9.647 -11.048 1.00 0.00 N ATOM 0 H LYS A 29 -0.047 -7.677 -9.426 1.00 0.00 H new ATOM 0 HA LYS A 29 1.783 -6.583 -7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.008 -8.883 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.613 -8.977 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.863 -7.987 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.250 -8.032 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.137 -10.433 -7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.368 -10.517 -9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.185 -9.460 -9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.820 -11.105 -9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.260 -10.025 -11.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.563 -10.008 -11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.437 -8.608 -11.099 1.00 0.00 H new ATOM 422 N GLY A 30 3.135 -5.085 -8.849 1.00 0.00 N ATOM 423 CA GLY A 30 3.939 -4.194 -9.664 1.00 0.00 C ATOM 424 C GLY A 30 3.348 -2.802 -9.759 1.00 0.00 C ATOM 425 O GLY A 30 3.538 -2.104 -10.756 1.00 0.00 O ATOM 0 H GLY A 30 3.123 -4.861 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.943 -4.131 -9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.037 -4.613 -10.666 1.00 0.00 H new ATOM 429 N VAL A 31 2.627 -2.395 -8.718 1.00 0.00 N ATOM 430 CA VAL A 31 2.005 -1.077 -8.688 1.00 0.00 C ATOM 431 C VAL A 31 2.483 -0.271 -7.486 1.00 0.00 C ATOM 432 O VAL A 31 3.199 -0.784 -6.625 1.00 0.00 O ATOM 433 CB VAL A 31 0.469 -1.181 -8.644 1.00 0.00 C ATOM 434 CG1 VAL A 31 -0.069 -1.706 -9.967 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.029 -2.069 -7.490 1.00 0.00 C ATOM 0 H VAL A 31 2.460 -2.959 -7.885 1.00 0.00 H new ATOM 0 HA VAL A 31 2.301 -0.567 -9.605 1.00 0.00 H new ATOM 0 HB VAL A 31 0.059 -0.184 -8.483 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.156 -1.773 -9.917 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.216 -1.027 -10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.347 -2.695 -10.162 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.059 -2.132 -7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.448 -3.067 -7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.382 -1.646 -6.550 1.00 0.00 H new ATOM 445 N THR A 32 2.083 0.996 -7.430 1.00 0.00 N ATOM 446 CA THR A 32 2.470 1.873 -6.334 1.00 0.00 C ATOM 447 C THR A 32 1.299 2.126 -5.391 1.00 0.00 C ATOM 448 O THR A 32 0.166 2.324 -5.830 1.00 0.00 O ATOM 449 CB THR A 32 2.995 3.225 -6.854 1.00 0.00 C ATOM 450 OG1 THR A 32 4.171 3.021 -7.645 1.00 0.00 O ATOM 451 CG2 THR A 32 3.310 4.164 -5.700 1.00 0.00 C ATOM 0 H THR A 32 1.490 1.437 -8.133 1.00 0.00 H new ATOM 0 HA THR A 32 3.267 1.365 -5.791 1.00 0.00 H new ATOM 0 HB THR A 32 2.218 3.680 -7.469 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.498 3.884 -7.974 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.679 5.112 -6.092 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.406 4.340 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.071 3.714 -5.062 1.00 0.00 H new ATOM 459 N VAL A 33 1.578 2.118 -4.091 1.00 0.00 N ATOM 460 CA VAL A 33 0.548 2.347 -3.086 1.00 0.00 C ATOM 461 C VAL A 33 1.039 3.302 -2.003 1.00 0.00 C ATOM 462 O VAL A 33 2.231 3.356 -1.706 1.00 0.00 O ATOM 463 CB VAL A 33 0.101 1.028 -2.428 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.609 0.141 -3.439 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.294 0.308 -1.819 1.00 0.00 C ATOM 0 H VAL A 33 2.510 1.955 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.303 2.793 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.602 1.260 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.917 -0.786 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.487 0.659 -3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.068 -0.087 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.961 -0.622 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.022 0.086 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.755 0.943 -1.063 1.00 0.00 H new ATOM 475 N GLU A 34 0.111 4.052 -1.418 1.00 0.00 N ATOM 476 CA GLU A 34 0.451 5.005 -0.368 1.00 0.00 C ATOM 477 C GLU A 34 0.050 4.470 1.004 1.00 0.00 C ATOM 478 O GLU A 34 -1.132 4.271 1.283 1.00 0.00 O ATOM 479 CB GLU A 34 -0.238 6.347 -0.625 1.00 0.00 C ATOM 480 CG GLU A 34 0.508 7.236 -1.606 1.00 0.00 C ATOM 481 CD GLU A 34 1.676 7.959 -0.966 1.00 0.00 C ATOM 482 OE1 GLU A 34 2.396 7.330 -0.162 1.00 0.00 O ATOM 483 OE2 GLU A 34 1.872 9.154 -1.271 1.00 0.00 O ATOM 0 H GLU A 34 -0.881 4.018 -1.653 1.00 0.00 H new ATOM 0 HA GLU A 34 1.531 5.150 -0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.243 6.163 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.348 6.877 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.871 6.630 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.182 7.968 -2.024 1.00 0.00 H new ATOM 490 N VAL A 35 1.044 4.236 1.855 1.00 0.00 N ATOM 491 CA VAL A 35 0.797 3.724 3.197 1.00 0.00 C ATOM 492 C VAL A 35 0.339 4.836 4.134 1.00 0.00 C ATOM 493 O VAL A 35 1.150 5.619 4.628 1.00 0.00 O ATOM 494 CB VAL A 35 2.055 3.059 3.785 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.788 2.563 5.198 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.523 1.920 2.890 1.00 0.00 C ATOM 0 H VAL A 35 2.028 4.393 1.638 1.00 0.00 H new ATOM 0 HA VAL A 35 0.008 2.978 3.110 1.00 0.00 H new ATOM 0 HB VAL A 35 2.849 3.804 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.689 2.096 5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.505 3.404 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.979 1.833 5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.413 1.461 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.733 1.173 2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.758 2.309 1.899 1.00 0.00 H new ATOM 506 N ILE A 36 -0.966 4.899 4.375 1.00 0.00 N ATOM 507 CA ILE A 36 -1.532 5.914 5.254 1.00 0.00 C ATOM 508 C ILE A 36 -1.199 5.625 6.713 1.00 0.00 C ATOM 509 O ILE A 36 -0.688 6.488 7.427 1.00 0.00 O ATOM 510 CB ILE A 36 -3.062 6.006 5.097 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.428 6.341 3.649 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.630 7.050 6.047 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.859 6.003 3.294 1.00 0.00 C ATOM 0 H ILE A 36 -1.651 4.259 3.974 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.087 6.866 4.964 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.497 5.039 5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.261 7.404 3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.759 5.801 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.712 7.103 5.924 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.395 6.773 7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.191 8.022 5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.048 6.267 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.026 4.935 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.536 6.563 3.939 1.00 0.00 H new ATOM 525 N ARG A 37 -1.493 4.404 7.151 1.00 0.00 N ATOM 526 CA ARG A 37 -1.224 4.000 8.525 1.00 0.00 C ATOM 527 C ARG A 37 -0.566 2.624 8.570 1.00 0.00 C ATOM 528 O ARG A 37 -0.756 1.805 7.670 1.00 0.00 O ATOM 529 CB ARG A 37 -2.521 3.984 9.337 1.00 0.00 C ATOM 530 CG ARG A 37 -2.855 5.321 9.977 1.00 0.00 C ATOM 531 CD ARG A 37 -3.862 5.164 11.106 1.00 0.00 C ATOM 532 NE ARG A 37 -5.226 5.016 10.606 1.00 0.00 N ATOM 533 CZ ARG A 37 -5.954 6.028 10.149 1.00 0.00 C ATOM 534 NH1 ARG A 37 -5.450 7.256 10.128 1.00 0.00 N ATOM 535 NH2 ARG A 37 -7.188 5.815 9.711 1.00 0.00 N ATOM 0 H ARG A 37 -1.917 3.678 6.573 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.538 4.725 8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.343 3.687 8.686 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.442 3.227 10.117 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.944 5.779 10.362 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.256 5.997 9.222 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.600 4.293 11.707 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.809 6.032 11.763 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.642 4.085 10.608 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.501 7.424 10.463 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.011 8.032 9.776 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.579 4.873 9.725 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.746 6.593 9.360 1.00 0.00 H new ATOM 549 N LYS A 38 0.206 2.376 9.620 1.00 0.00 N ATOM 550 CA LYS A 38 0.892 1.099 9.783 1.00 0.00 C ATOM 551 C LYS A 38 0.750 0.584 11.212 1.00 0.00 C ATOM 552 O LYS A 38 1.117 1.266 12.167 1.00 0.00 O ATOM 553 CB LYS A 38 2.373 1.243 9.427 1.00 0.00 C ATOM 554 CG LYS A 38 3.084 2.334 10.210 1.00 0.00 C ATOM 555 CD LYS A 38 4.548 2.438 9.817 1.00 0.00 C ATOM 556 CE LYS A 38 4.749 3.416 8.668 1.00 0.00 C ATOM 557 NZ LYS A 38 4.547 4.826 9.099 1.00 0.00 N ATOM 0 H LYS A 38 0.374 3.043 10.373 1.00 0.00 H new ATOM 0 HA LYS A 38 0.431 0.378 9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.875 0.292 9.607 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.463 1.455 8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.590 3.290 10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.007 2.127 11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.135 2.760 10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.919 1.455 9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.755 3.300 8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.053 3.179 7.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.007 5.466 8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.529 5.035 9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.964 4.964 10.042 1.00 0.00 H new ATOM 571 N ASN A 39 0.216 -0.625 11.350 1.00 0.00 N ATOM 572 CA ASN A 39 0.027 -1.233 12.662 1.00 0.00 C ATOM 573 C ASN A 39 1.135 -2.237 12.962 1.00 0.00 C ATOM 574 O ASN A 39 2.028 -2.456 12.142 1.00 0.00 O ATOM 575 CB ASN A 39 -1.336 -1.923 12.736 1.00 0.00 C ATOM 576 CG ASN A 39 -2.487 -0.936 12.709 1.00 0.00 C ATOM 577 OD1 ASN A 39 -2.282 0.275 12.795 1.00 0.00 O ATOM 578 ND2 ASN A 39 -3.706 -1.450 12.590 1.00 0.00 N ATOM 0 H ASN A 39 -0.094 -1.203 10.569 1.00 0.00 H new ATOM 0 HA ASN A 39 0.067 -0.441 13.410 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.435 -2.615 11.900 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.391 -2.516 13.649 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.519 -0.834 12.567 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.829 -2.460 12.522 1.00 0.00 H new ATOM 585 N LEU A 40 1.072 -2.846 14.141 1.00 0.00 N ATOM 586 CA LEU A 40 2.069 -3.829 14.550 1.00 0.00 C ATOM 587 C LEU A 40 1.570 -5.248 14.301 1.00 0.00 C ATOM 588 O LEU A 40 2.287 -6.080 13.747 1.00 0.00 O ATOM 589 CB LEU A 40 2.414 -3.649 16.029 1.00 0.00 C ATOM 590 CG LEU A 40 3.752 -4.235 16.482 1.00 0.00 C ATOM 591 CD1 LEU A 40 4.231 -3.551 17.753 1.00 0.00 C ATOM 592 CD2 LEU A 40 3.631 -5.737 16.695 1.00 0.00 C ATOM 0 H LEU A 40 0.340 -2.676 14.831 1.00 0.00 H new ATOM 0 HA LEU A 40 2.966 -3.670 13.952 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.412 -2.583 16.255 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.621 -4.102 16.624 1.00 0.00 H new ATOM 0 HG LEU A 40 4.489 -4.057 15.699 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.184 -3.981 18.060 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.357 -2.484 17.567 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.495 -3.697 18.544 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.592 -6.137 17.017 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.880 -5.937 17.460 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.334 -6.214 15.761 1.00 0.00 H new ATOM 604 N GLU A 41 0.334 -5.515 14.711 1.00 0.00 N ATOM 605 CA GLU A 41 -0.262 -6.834 14.530 1.00 0.00 C ATOM 606 C GLU A 41 0.046 -7.385 13.140 1.00 0.00 C ATOM 607 O GLU A 41 0.627 -8.461 13.003 1.00 0.00 O ATOM 608 CB GLU A 41 -1.777 -6.767 14.739 1.00 0.00 C ATOM 609 CG GLU A 41 -2.180 -6.448 16.169 1.00 0.00 C ATOM 610 CD GLU A 41 -3.683 -6.344 16.341 1.00 0.00 C ATOM 611 OE1 GLU A 41 -4.287 -5.428 15.743 1.00 0.00 O ATOM 612 OE2 GLU A 41 -4.255 -7.178 17.074 1.00 0.00 O ATOM 0 H GLU A 41 -0.274 -4.837 15.170 1.00 0.00 H new ATOM 0 HA GLU A 41 0.171 -7.504 15.272 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.194 -6.009 14.075 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.218 -7.721 14.450 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.795 -7.222 16.833 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.717 -5.509 16.472 1.00 0.00 H new ATOM 619 N GLY A 42 -0.347 -6.638 12.113 1.00 0.00 N ATOM 620 CA GLY A 42 -0.105 -7.068 10.748 1.00 0.00 C ATOM 621 C GLY A 42 -1.075 -6.446 9.764 1.00 0.00 C ATOM 622 O GLY A 42 -1.596 -7.128 8.881 1.00 0.00 O ATOM 0 H GLY A 42 -0.828 -5.743 12.202 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.914 -6.807 10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.183 -8.154 10.693 1.00 0.00 H new ATOM 626 N TRP A 43 -1.320 -5.150 9.915 1.00 0.00 N ATOM 627 CA TRP A 43 -2.237 -4.437 9.034 1.00 0.00 C ATOM 628 C TRP A 43 -1.695 -3.054 8.689 1.00 0.00 C ATOM 629 O TRP A 43 -1.418 -2.247 9.576 1.00 0.00 O ATOM 630 CB TRP A 43 -3.613 -4.310 9.688 1.00 0.00 C ATOM 631 CG TRP A 43 -4.503 -5.488 9.432 1.00 0.00 C ATOM 632 CD1 TRP A 43 -5.089 -6.293 10.368 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.907 -5.996 8.156 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.832 -7.270 9.750 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.737 -7.109 8.393 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.648 -5.619 6.835 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.309 -7.846 7.359 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.216 -6.350 5.809 1.00 0.00 C ATOM 639 CH2 TRP A 43 -6.039 -7.453 6.076 1.00 0.00 C ATOM 0 H TRP A 43 -0.896 -4.571 10.640 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.334 -5.010 8.112 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.486 -4.186 10.764 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.101 -3.408 9.319 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.984 -6.178 11.437 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.367 -7.997 10.225 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.015 -4.771 6.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.943 -8.697 7.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.023 -6.067 4.785 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.469 -8.004 5.252 1.00 0.00 H new ATOM 650 N TRP A 44 -1.547 -2.786 7.396 1.00 0.00 N ATOM 651 CA TRP A 44 -1.038 -1.499 6.936 1.00 0.00 C ATOM 652 C TRP A 44 -2.036 -0.822 6.003 1.00 0.00 C ATOM 653 O TRP A 44 -2.153 -1.188 4.833 1.00 0.00 O ATOM 654 CB TRP A 44 0.303 -1.683 6.223 1.00 0.00 C ATOM 655 CG TRP A 44 1.472 -1.732 7.159 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.524 -2.357 8.373 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.756 -1.131 6.960 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.763 -2.181 8.939 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.537 -1.433 8.092 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.321 -0.370 5.934 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.853 -0.998 8.225 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.627 0.062 6.068 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.382 -0.253 7.206 1.00 0.00 C ATOM 0 H TRP A 44 -1.772 -3.442 6.648 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.893 -0.861 7.807 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.274 -2.604 5.641 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.446 -0.865 5.517 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.711 -2.908 8.821 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.059 -2.548 9.844 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.748 -0.124 5.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.436 -1.240 9.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.074 0.653 5.282 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.400 0.099 7.280 1.00 0.00 H new ATOM 674 N TYR A 45 -2.753 0.167 6.527 1.00 0.00 N ATOM 675 CA TYR A 45 -3.742 0.893 5.740 1.00 0.00 C ATOM 676 C TYR A 45 -3.085 1.608 4.563 1.00 0.00 C ATOM 677 O TYR A 45 -2.232 2.476 4.748 1.00 0.00 O ATOM 678 CB TYR A 45 -4.479 1.905 6.619 1.00 0.00 C ATOM 679 CG TYR A 45 -5.890 2.193 6.155 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.796 1.163 5.939 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.316 3.498 5.938 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.085 1.422 5.517 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.605 3.767 5.515 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.484 2.726 5.306 1.00 0.00 C ATOM 685 OH TYR A 45 -9.769 2.989 4.886 1.00 0.00 O ATOM 0 H TYR A 45 -2.667 0.484 7.493 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.458 0.171 5.348 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.511 1.530 7.642 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.914 2.837 6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.487 0.141 6.104 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.629 4.315 6.102 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.777 0.609 5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.921 4.786 5.349 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.889 3.956 4.786 1.00 0.00 H new ATOM 695 N ILE A 46 -3.489 1.236 3.353 1.00 0.00 N ATOM 696 CA ILE A 46 -2.942 1.842 2.146 1.00 0.00 C ATOM 697 C ILE A 46 -4.053 2.345 1.231 1.00 0.00 C ATOM 698 O ILE A 46 -5.228 2.040 1.438 1.00 0.00 O ATOM 699 CB ILE A 46 -2.061 0.848 1.367 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.914 -0.292 0.805 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.960 0.300 2.263 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.250 -1.042 -0.328 1.00 0.00 C ATOM 0 H ILE A 46 -4.193 0.518 3.183 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.329 2.685 2.466 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.596 1.374 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.144 -0.992 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.863 0.114 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.346 -0.401 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.338 1.121 2.619 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.406 -0.213 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.912 -1.835 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.044 -0.354 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.315 -1.478 0.023 1.00 0.00 H new ATOM 714 N ARG A 47 -3.673 3.116 0.216 1.00 0.00 N ATOM 715 CA ARG A 47 -4.637 3.661 -0.732 1.00 0.00 C ATOM 716 C ARG A 47 -4.214 3.366 -2.167 1.00 0.00 C ATOM 717 O ARG A 47 -3.142 3.782 -2.607 1.00 0.00 O ATOM 718 CB ARG A 47 -4.784 5.171 -0.531 1.00 0.00 C ATOM 719 CG ARG A 47 -5.804 5.812 -1.458 1.00 0.00 C ATOM 720 CD ARG A 47 -5.477 7.274 -1.720 1.00 0.00 C ATOM 721 NE ARG A 47 -4.573 7.437 -2.855 1.00 0.00 N ATOM 722 CZ ARG A 47 -4.025 8.598 -3.197 1.00 0.00 C ATOM 723 NH1 ARG A 47 -4.289 9.691 -2.496 1.00 0.00 N ATOM 724 NH2 ARG A 47 -3.212 8.667 -4.243 1.00 0.00 N ATOM 0 H ARG A 47 -2.705 3.377 0.030 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.599 3.182 -0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.072 5.365 0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.815 5.646 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.831 5.269 -2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.798 5.734 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.399 7.824 -1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.023 7.709 -0.830 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.350 6.615 -3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.914 9.642 -1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.867 10.581 -2.761 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.007 7.828 -4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.792 9.559 -4.504 1.00 0.00 H new ATOM 738 N TYR A 48 -5.063 2.647 -2.893 1.00 0.00 N ATOM 739 CA TYR A 48 -4.775 2.294 -4.278 1.00 0.00 C ATOM 740 C TYR A 48 -5.982 2.566 -5.171 1.00 0.00 C ATOM 741 O TYR A 48 -7.108 2.190 -4.844 1.00 0.00 O ATOM 742 CB TYR A 48 -4.375 0.821 -4.379 1.00 0.00 C ATOM 743 CG TYR A 48 -4.481 0.258 -5.778 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.714 0.773 -6.815 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.350 -0.788 -6.062 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.809 0.263 -8.095 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.450 -1.306 -7.339 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.678 -0.777 -8.352 1.00 0.00 C ATOM 749 OH TYR A 48 -4.775 -1.289 -9.626 1.00 0.00 O ATOM 0 H TYR A 48 -5.956 2.297 -2.545 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.945 2.913 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.350 0.707 -4.028 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.007 0.235 -3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.032 1.586 -6.617 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.958 -1.203 -5.271 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.206 0.676 -8.890 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.129 -2.121 -7.543 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.431 -2.017 -9.637 1.00 0.00 H new ATOM 759 N LEU A 49 -5.737 3.223 -6.299 1.00 0.00 N ATOM 760 CA LEU A 49 -6.803 3.546 -7.242 1.00 0.00 C ATOM 761 C LEU A 49 -7.877 4.402 -6.578 1.00 0.00 C ATOM 762 O LEU A 49 -9.071 4.192 -6.788 1.00 0.00 O ATOM 763 CB LEU A 49 -7.428 2.264 -7.797 1.00 0.00 C ATOM 764 CG LEU A 49 -6.781 1.696 -9.060 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.530 0.458 -9.533 1.00 0.00 C ATOM 766 CD2 LEU A 49 -6.740 2.748 -10.159 1.00 0.00 C ATOM 0 H LEU A 49 -4.811 3.542 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.367 4.115 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.393 1.500 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.480 2.457 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.757 1.408 -8.822 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.055 0.067 -10.433 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.507 -0.302 -8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.565 0.721 -9.753 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.276 2.325 -11.050 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.755 3.067 -10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.159 3.606 -9.820 1.00 0.00 H new ATOM 778 N GLY A 50 -7.442 5.370 -5.777 1.00 0.00 N ATOM 779 CA GLY A 50 -8.380 6.245 -5.095 1.00 0.00 C ATOM 780 C GLY A 50 -9.299 5.491 -4.156 1.00 0.00 C ATOM 781 O GLY A 50 -10.486 5.802 -4.053 1.00 0.00 O ATOM 0 H GLY A 50 -6.459 5.564 -5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.827 6.996 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.978 6.777 -5.834 1.00 0.00 H new ATOM 785 N LYS A 51 -8.752 4.494 -3.469 1.00 0.00 N ATOM 786 CA LYS A 51 -9.530 3.692 -2.532 1.00 0.00 C ATOM 787 C LYS A 51 -8.669 3.237 -1.359 1.00 0.00 C ATOM 788 O LYS A 51 -7.586 2.683 -1.550 1.00 0.00 O ATOM 789 CB LYS A 51 -10.125 2.474 -3.244 1.00 0.00 C ATOM 790 CG LYS A 51 -10.868 1.529 -2.316 1.00 0.00 C ATOM 791 CD LYS A 51 -11.116 0.182 -2.972 1.00 0.00 C ATOM 792 CE LYS A 51 -12.361 0.209 -3.846 1.00 0.00 C ATOM 793 NZ LYS A 51 -12.902 -1.158 -4.083 1.00 0.00 N ATOM 0 H LYS A 51 -7.772 4.222 -3.544 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.339 4.312 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.807 2.816 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.324 1.927 -3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.292 1.388 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.820 1.975 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.252 -0.094 -3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.226 -0.583 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.125 0.825 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.124 0.676 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.750 -1.097 -4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.182 -1.738 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.152 -1.595 -3.173 1.00 0.00 H new ATOM 807 N GLU A 52 -9.158 3.473 -0.145 1.00 0.00 N ATOM 808 CA GLU A 52 -8.431 3.088 1.058 1.00 0.00 C ATOM 809 C GLU A 52 -8.961 1.769 1.615 1.00 0.00 C ATOM 810 O GLU A 52 -10.164 1.608 1.819 1.00 0.00 O ATOM 811 CB GLU A 52 -8.541 4.183 2.121 1.00 0.00 C ATOM 812 CG GLU A 52 -8.016 5.533 1.660 1.00 0.00 C ATOM 813 CD GLU A 52 -9.085 6.378 0.997 1.00 0.00 C ATOM 814 OE1 GLU A 52 -10.222 6.412 1.513 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.785 7.007 -0.040 1.00 0.00 O ATOM 0 H GLU A 52 -10.054 3.928 0.030 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.383 2.956 0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.585 4.289 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.991 3.872 3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.610 6.073 2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.194 5.380 0.961 1.00 0.00 H new ATOM 822 N GLY A 53 -8.055 0.828 1.858 1.00 0.00 N ATOM 823 CA GLY A 53 -8.450 -0.465 2.387 1.00 0.00 C ATOM 824 C GLY A 53 -7.362 -1.104 3.227 1.00 0.00 C ATOM 825 O GLY A 53 -6.254 -0.576 3.326 1.00 0.00 O ATOM 0 H GLY A 53 -7.054 0.937 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.350 -0.348 2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.705 -1.129 1.561 1.00 0.00 H new ATOM 829 N TRP A 54 -7.679 -2.242 3.835 1.00 0.00 N ATOM 830 CA TRP A 54 -6.720 -2.953 4.672 1.00 0.00 C ATOM 831 C TRP A 54 -5.918 -3.956 3.851 1.00 0.00 C ATOM 832 O TRP A 54 -6.486 -4.795 3.151 1.00 0.00 O ATOM 833 CB TRP A 54 -7.443 -3.672 5.813 1.00 0.00 C ATOM 834 CG TRP A 54 -7.771 -2.773 6.967 1.00 0.00 C ATOM 835 CD1 TRP A 54 -9.015 -2.464 7.437 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.840 -2.068 7.795 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.914 -1.609 8.508 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.591 -1.350 8.747 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.446 -1.974 7.827 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.992 -0.550 9.718 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.854 -1.178 8.789 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.626 -0.476 9.725 1.00 0.00 C ATOM 0 H TRP A 54 -8.592 -2.691 3.764 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.030 -2.221 5.092 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.364 -4.111 5.430 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.821 -4.494 6.167 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.942 -2.837 7.027 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.698 -1.229 9.039 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.842 -2.514 7.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.585 -0.008 10.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.778 -1.095 8.820 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.133 0.135 10.466 1.00 0.00 H new ATOM 853 N ALA A 55 -4.595 -3.865 3.939 1.00 0.00 N ATOM 854 CA ALA A 55 -3.716 -4.765 3.205 1.00 0.00 C ATOM 855 C ALA A 55 -2.544 -5.215 4.070 1.00 0.00 C ATOM 856 O ALA A 55 -2.024 -4.461 4.893 1.00 0.00 O ATOM 857 CB ALA A 55 -3.211 -4.094 1.936 1.00 0.00 C ATOM 0 H ALA A 55 -4.109 -3.176 4.512 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.291 -5.649 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.555 -4.779 1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.058 -3.830 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.658 -3.192 2.197 1.00 0.00 H new ATOM 863 N PRO A 56 -2.117 -6.473 3.883 1.00 0.00 N ATOM 864 CA PRO A 56 -1.001 -7.050 4.638 1.00 0.00 C ATOM 865 C PRO A 56 0.340 -6.434 4.254 1.00 0.00 C ATOM 866 O PRO A 56 0.709 -6.410 3.080 1.00 0.00 O ATOM 867 CB PRO A 56 -1.039 -8.531 4.250 1.00 0.00 C ATOM 868 CG PRO A 56 -1.696 -8.555 2.914 1.00 0.00 C ATOM 869 CD PRO A 56 -2.690 -7.427 2.919 1.00 0.00 C ATOM 0 HA PRO A 56 -1.099 -6.872 5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.036 -8.955 4.206 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.600 -9.117 4.978 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.964 -8.426 2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.191 -9.510 2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.799 -6.983 1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.680 -7.765 3.227 1.00 0.00 H new ATOM 877 N ALA A 57 1.064 -5.938 5.251 1.00 0.00 N ATOM 878 CA ALA A 57 2.366 -5.323 5.017 1.00 0.00 C ATOM 879 C ALA A 57 3.265 -6.239 4.195 1.00 0.00 C ATOM 880 O ALA A 57 4.157 -5.775 3.485 1.00 0.00 O ATOM 881 CB ALA A 57 3.031 -4.976 6.341 1.00 0.00 C ATOM 0 H ALA A 57 0.772 -5.949 6.228 1.00 0.00 H new ATOM 0 HA ALA A 57 2.211 -4.405 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.002 -4.518 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.401 -4.278 6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.167 -5.884 6.929 1.00 0.00 H new ATOM 887 N SER A 58 3.026 -7.543 4.296 1.00 0.00 N ATOM 888 CA SER A 58 3.819 -8.525 3.565 1.00 0.00 C ATOM 889 C SER A 58 3.714 -8.295 2.060 1.00 0.00 C ATOM 890 O SER A 58 4.651 -8.572 1.312 1.00 0.00 O ATOM 891 CB SER A 58 3.357 -9.942 3.909 1.00 0.00 C ATOM 892 OG SER A 58 3.597 -10.239 5.274 1.00 0.00 O ATOM 0 H SER A 58 2.290 -7.944 4.877 1.00 0.00 H new ATOM 0 HA SER A 58 4.861 -8.408 3.861 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.293 -10.044 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.880 -10.662 3.279 1.00 0.00 H new ATOM 0 HG SER A 58 3.292 -11.149 5.469 1.00 0.00 H new ATOM 898 N TYR A 59 2.567 -7.787 1.625 1.00 0.00 N ATOM 899 CA TYR A 59 2.337 -7.522 0.209 1.00 0.00 C ATOM 900 C TYR A 59 2.681 -6.076 -0.138 1.00 0.00 C ATOM 901 O TYR A 59 2.158 -5.514 -1.100 1.00 0.00 O ATOM 902 CB TYR A 59 0.881 -7.812 -0.156 1.00 0.00 C ATOM 903 CG TYR A 59 0.542 -9.285 -0.168 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.743 -10.074 0.958 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.022 -9.890 -1.306 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.436 -11.421 0.951 1.00 0.00 C ATOM 907 CE2 TYR A 59 -0.289 -11.235 -1.321 1.00 0.00 C ATOM 908 CZ TYR A 59 -0.081 -11.997 -0.190 1.00 0.00 C ATOM 909 OH TYR A 59 -0.388 -13.338 -0.202 1.00 0.00 O ATOM 0 H TYR A 59 1.782 -7.550 2.232 1.00 0.00 H new ATOM 0 HA TYR A 59 2.987 -8.180 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.229 -7.303 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.671 -7.391 -1.139 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.146 -9.626 1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.142 -9.298 -2.194 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.600 -12.020 1.835 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.693 -11.688 -2.214 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.743 -13.584 -1.082 1.00 0.00 H new ATOM 919 N LEU A 60 3.565 -5.479 0.655 1.00 0.00 N ATOM 920 CA LEU A 60 3.981 -4.099 0.434 1.00 0.00 C ATOM 921 C LEU A 60 5.431 -3.892 0.860 1.00 0.00 C ATOM 922 O LEU A 60 5.876 -4.436 1.871 1.00 0.00 O ATOM 923 CB LEU A 60 3.070 -3.141 1.203 1.00 0.00 C ATOM 924 CG LEU A 60 1.576 -3.464 1.169 1.00 0.00 C ATOM 925 CD1 LEU A 60 0.846 -2.726 2.282 1.00 0.00 C ATOM 926 CD2 LEU A 60 0.983 -3.109 -0.187 1.00 0.00 C ATOM 0 H LEU A 60 4.007 -5.929 1.456 1.00 0.00 H new ATOM 0 HA LEU A 60 3.901 -3.888 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.393 -3.120 2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.213 -2.137 0.805 1.00 0.00 H new ATOM 0 HG LEU A 60 1.452 -4.535 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.216 -2.967 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.252 -3.030 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.979 -1.652 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.081 -3.346 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.119 -2.044 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.486 -3.682 -0.966 1.00 0.00 H new ATOM 938 N LYS A 61 6.164 -3.100 0.084 1.00 0.00 N ATOM 939 CA LYS A 61 7.563 -2.817 0.382 1.00 0.00 C ATOM 940 C LYS A 61 7.906 -1.367 0.058 1.00 0.00 C ATOM 941 O LYS A 61 7.603 -0.875 -1.030 1.00 0.00 O ATOM 942 CB LYS A 61 8.474 -3.758 -0.411 1.00 0.00 C ATOM 943 CG LYS A 61 8.591 -3.395 -1.881 1.00 0.00 C ATOM 944 CD LYS A 61 9.545 -4.327 -2.611 1.00 0.00 C ATOM 945 CE LYS A 61 10.166 -3.650 -3.822 1.00 0.00 C ATOM 946 NZ LYS A 61 11.321 -4.423 -4.358 1.00 0.00 N ATOM 0 H LYS A 61 5.812 -2.642 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 61 7.722 -2.979 1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.468 -3.751 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.093 -4.776 -0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.607 -3.441 -2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.941 -2.367 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.332 -4.650 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.010 -5.222 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.412 -3.536 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.495 -2.648 -3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.717 -3.929 -5.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.052 -4.510 -3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.002 -5.371 -4.643 1.00 0.00 H new ATOM 960 N LYS A 62 8.540 -0.688 1.007 1.00 0.00 N ATOM 961 CA LYS A 62 8.927 0.706 0.823 1.00 0.00 C ATOM 962 C LYS A 62 9.697 0.889 -0.482 1.00 0.00 C ATOM 963 O LYS A 62 10.810 0.387 -0.632 1.00 0.00 O ATOM 964 CB LYS A 62 9.780 1.180 2.001 1.00 0.00 C ATOM 965 CG LYS A 62 10.231 2.625 1.883 1.00 0.00 C ATOM 966 CD LYS A 62 9.154 3.587 2.360 1.00 0.00 C ATOM 967 CE LYS A 62 9.428 5.008 1.891 1.00 0.00 C ATOM 968 NZ LYS A 62 10.313 5.742 2.837 1.00 0.00 N ATOM 0 H LYS A 62 8.797 -1.081 1.913 1.00 0.00 H new ATOM 0 HA LYS A 62 8.018 1.306 0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.210 1.060 2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.658 0.540 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.138 2.773 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.483 2.845 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.183 3.261 1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.102 3.566 3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.892 4.982 0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.485 5.544 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.381 6.738 2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.917 5.687 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.261 5.314 2.829 1.00 0.00 H new ATOM 982 N ALA A 63 9.096 1.612 -1.421 1.00 0.00 N ATOM 983 CA ALA A 63 9.728 1.863 -2.711 1.00 0.00 C ATOM 984 C ALA A 63 11.185 2.274 -2.538 1.00 0.00 C ATOM 985 O ALA A 63 12.098 1.521 -2.880 1.00 0.00 O ATOM 986 CB ALA A 63 8.962 2.935 -3.472 1.00 0.00 C ATOM 0 H ALA A 63 8.174 2.034 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 63 9.706 0.937 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.444 3.113 -4.433 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.937 2.603 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.956 3.858 -2.893 1.00 0.00 H new ATOM 992 N LYS A 64 11.398 3.473 -2.006 1.00 0.00 N ATOM 993 CA LYS A 64 12.746 3.985 -1.787 1.00 0.00 C ATOM 994 C LYS A 64 13.360 3.378 -0.529 1.00 0.00 C ATOM 995 O LYS A 64 12.672 2.730 0.260 1.00 0.00 O ATOM 996 CB LYS A 64 12.722 5.510 -1.671 1.00 0.00 C ATOM 997 CG LYS A 64 11.926 6.018 -0.482 1.00 0.00 C ATOM 998 CD LYS A 64 12.290 7.452 -0.138 1.00 0.00 C ATOM 999 CE LYS A 64 13.580 7.523 0.664 1.00 0.00 C ATOM 1000 NZ LYS A 64 13.611 8.711 1.562 1.00 0.00 N ATOM 0 H LYS A 64 10.654 4.109 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 64 13.359 3.702 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.746 5.876 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.301 5.929 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.860 5.955 -0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.111 5.378 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.398 8.031 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.480 7.907 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.688 6.616 1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.430 7.561 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.506 8.723 2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.533 9.578 0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.815 8.662 2.230 1.00 0.00 H new ATOM 1014 N ASP A 65 14.658 3.595 -0.346 1.00 0.00 N ATOM 1015 CA ASP A 65 15.364 3.072 0.817 1.00 0.00 C ATOM 1016 C ASP A 65 15.892 4.208 1.688 1.00 0.00 C ATOM 1017 O ASP A 65 16.528 5.138 1.194 1.00 0.00 O ATOM 1018 CB ASP A 65 16.519 2.171 0.378 1.00 0.00 C ATOM 1019 CG ASP A 65 16.954 1.212 1.469 1.00 0.00 C ATOM 1020 OD1 ASP A 65 17.347 1.687 2.555 1.00 0.00 O ATOM 1021 OD2 ASP A 65 16.900 -0.014 1.237 1.00 0.00 O ATOM 0 H ASP A 65 15.242 4.130 -0.989 1.00 0.00 H new ATOM 0 HA ASP A 65 14.659 2.484 1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.218 1.603 -0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.367 2.790 0.083 1.00 0.00 H new ATOM 1026 N SER A 66 15.622 4.125 2.987 1.00 0.00 N ATOM 1027 CA SER A 66 16.065 5.148 3.926 1.00 0.00 C ATOM 1028 C SER A 66 15.881 4.680 5.367 1.00 0.00 C ATOM 1029 O SER A 66 14.878 4.053 5.704 1.00 0.00 O ATOM 1030 CB SER A 66 15.293 6.449 3.698 1.00 0.00 C ATOM 1031 OG SER A 66 15.762 7.477 4.552 1.00 0.00 O ATOM 0 H SER A 66 15.099 3.360 3.413 1.00 0.00 H new ATOM 0 HA SER A 66 17.126 5.329 3.754 1.00 0.00 H new ATOM 0 HB2 SER A 66 15.397 6.760 2.658 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.231 6.281 3.875 1.00 0.00 H new ATOM 0 HG SER A 66 15.254 8.298 4.385 1.00 0.00 H new ATOM 1037 N GLY A 67 16.859 4.989 6.213 1.00 0.00 N ATOM 1038 CA GLY A 67 16.786 4.593 7.607 1.00 0.00 C ATOM 1039 C GLY A 67 16.485 3.118 7.775 1.00 0.00 C ATOM 1040 O GLY A 67 15.431 2.730 8.279 1.00 0.00 O ATOM 0 H GLY A 67 17.700 5.506 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.731 4.826 8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.014 5.178 8.108 1.00 0.00 H new ATOM 1044 N PRO A 68 17.427 2.265 7.345 1.00 0.00 N ATOM 1045 CA PRO A 68 17.279 0.809 7.439 1.00 0.00 C ATOM 1046 C PRO A 68 17.347 0.311 8.878 1.00 0.00 C ATOM 1047 O PRO A 68 16.513 -0.484 9.310 1.00 0.00 O ATOM 1048 CB PRO A 68 18.467 0.279 6.632 1.00 0.00 C ATOM 1049 CG PRO A 68 19.483 1.367 6.695 1.00 0.00 C ATOM 1050 CD PRO A 68 18.708 2.655 6.734 1.00 0.00 C ATOM 0 HA PRO A 68 16.311 0.473 7.068 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.852 -0.648 7.057 1.00 0.00 H new ATOM 0 HB3 PRO A 68 18.181 0.063 5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.112 1.263 7.579 1.00 0.00 H new ATOM 0 HG3 PRO A 68 20.143 1.335 5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 68 19.220 3.414 7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 68 18.567 3.069 5.736 1.00 0.00 H new ATOM 1058 N SER A 69 18.346 0.785 9.617 1.00 0.00 N ATOM 1059 CA SER A 69 18.524 0.385 11.008 1.00 0.00 C ATOM 1060 C SER A 69 17.330 0.815 11.854 1.00 0.00 C ATOM 1061 O SER A 69 17.017 2.002 11.949 1.00 0.00 O ATOM 1062 CB SER A 69 19.810 0.991 11.573 1.00 0.00 C ATOM 1063 OG SER A 69 20.941 0.577 10.827 1.00 0.00 O ATOM 0 H SER A 69 19.044 1.446 9.276 1.00 0.00 H new ATOM 0 HA SER A 69 18.597 -0.702 11.042 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.740 2.079 11.559 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.929 0.693 12.615 1.00 0.00 H new ATOM 0 HG SER A 69 21.749 0.980 11.208 1.00 0.00 H new ATOM 1069 N SER A 70 16.667 -0.160 12.468 1.00 0.00 N ATOM 1070 CA SER A 70 15.505 0.116 13.305 1.00 0.00 C ATOM 1071 C SER A 70 15.831 -0.105 14.779 1.00 0.00 C ATOM 1072 O SER A 70 15.794 -1.231 15.272 1.00 0.00 O ATOM 1073 CB SER A 70 14.331 -0.773 12.892 1.00 0.00 C ATOM 1074 OG SER A 70 13.097 -0.222 13.319 1.00 0.00 O ATOM 0 H SER A 70 16.914 -1.147 12.402 1.00 0.00 H new ATOM 0 HA SER A 70 15.228 1.161 13.166 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.324 -0.891 11.808 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.456 -1.768 13.320 1.00 0.00 H new ATOM 0 HG SER A 70 12.363 -0.809 13.041 1.00 0.00 H new ATOM 1080 N GLY A 71 16.152 0.981 15.476 1.00 0.00 N ATOM 1081 CA GLY A 71 16.481 0.886 16.886 1.00 0.00 C ATOM 1082 C GLY A 71 17.976 0.911 17.137 1.00 0.00 C ATOM 1083 O GLY A 71 18.572 1.982 17.260 1.00 0.00 O ATOM 0 H GLY A 71 16.190 1.924 15.089 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.012 1.712 17.421 1.00 0.00 H new ATOM 0 HA3 GLY A 71 16.063 -0.035 17.292 1.00 0.00 H new TER 1087 GLY A 71