USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 LYS NZ :NH3+ -169:sc= 2.42 (180deg=0.999) USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0.984 USER MOD Set 2.1: A 23 ASN : amide:sc= -0.835 X(o=0.19,f=0.61) USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 1.03 USER MOD Set 3.1: A 14 SER OG : rot -166:sc= 1.06 USER MOD Set 3.2: A 21 TYR OH : rot 30:sc= 0.914 USER MOD Set 4.1: A 5 TYR OH : rot -42:sc= 1.04 USER MOD Set 4.2: A 57 LYS NZ :NH3+ -169:sc= 1.39 (180deg=-0.0337) USER MOD Set 4.3: A 60 THR OG1 : rot -18:sc= 1.99 USER MOD Set 5.1: A 3 ASN : amide:sc= 0.87 K(o=2.1,f=-1.2) USER MOD Set 5.2: A 43 TYR OH : rot -168:sc= 1.24 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 1.13 (180deg=0.817) USER MOD Single : A 19 ASN : amide:sc= -0.205 K(o=-0.21,f=-5.9!) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 24 ASN : amide:sc=-0.000618 X(o=-0.00062,f=0) USER MOD Single : A 27 THR OG1 : rot 70:sc= 0.845 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 9:sc= 1.54 USER MOD Single : A 31 TYR OH : rot 36:sc= 1.22 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -140:sc= 0.345 USER MOD Single : A 41 SER OG : rot -163:sc= 0.495 USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 2 6.441 1.067 -7.342 1.00 0.00 N ATOM 20 CA LYS A 2 7.286 2.027 -6.650 1.00 0.00 C ATOM 21 C LYS A 2 6.791 2.093 -5.212 1.00 0.00 C ATOM 22 O LYS A 2 7.249 1.359 -4.344 1.00 0.00 O ATOM 23 CB LYS A 2 7.178 3.395 -7.366 1.00 0.00 C ATOM 24 CG LYS A 2 5.774 3.667 -7.953 1.00 0.00 C ATOM 25 CD LYS A 2 5.141 5.002 -7.562 1.00 0.00 C ATOM 26 CE LYS A 2 5.696 6.181 -8.366 1.00 0.00 C ATOM 27 NZ LYS A 2 5.033 7.448 -7.989 1.00 0.00 N ATOM 0 HA LYS A 2 8.337 1.739 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.430 4.187 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.914 3.437 -8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.839 3.621 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.107 2.864 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.062 4.944 -7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.309 5.181 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.770 6.266 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.554 5.997 -9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.430 8.228 -8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.012 7.374 -8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.190 7.634 -6.978 1.00 0.00 H new ATOM 37 N ASN A 3 5.777 2.926 -4.993 1.00 0.00 N ATOM 38 CA ASN A 3 4.853 2.907 -3.905 1.00 0.00 C ATOM 39 C ASN A 3 3.468 2.930 -4.544 1.00 0.00 C ATOM 40 O ASN A 3 3.349 3.292 -5.715 1.00 0.00 O ATOM 41 CB ASN A 3 5.106 4.136 -3.044 1.00 0.00 C ATOM 42 CG ASN A 3 4.872 5.483 -3.708 1.00 0.00 C ATOM 43 OD1 ASN A 3 3.764 5.821 -4.110 1.00 0.00 O ATOM 44 ND2 ASN A 3 5.914 6.296 -3.788 1.00 0.00 N ATOM 0 H ASN A 3 5.580 3.691 -5.639 1.00 0.00 H new ATOM 0 HA ASN A 3 4.952 2.033 -3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.468 4.074 -2.163 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.138 4.102 -2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.805 7.227 -4.191 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.826 5.992 -3.447 1.00 0.00 H new ATOM 50 N GLY A 4 2.449 2.490 -3.818 1.00 0.00 N ATOM 51 CA GLY A 4 1.147 2.208 -4.411 1.00 0.00 C ATOM 52 C GLY A 4 0.333 1.314 -3.492 1.00 0.00 C ATOM 53 O GLY A 4 0.841 0.860 -2.464 1.00 0.00 O ATOM 0 H GLY A 4 2.499 2.320 -2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.612 3.140 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.278 1.724 -5.379 1.00 0.00 H new ATOM 57 N TYR A 5 -0.921 1.067 -3.885 1.00 0.00 N ATOM 58 CA TYR A 5 -1.795 0.124 -3.209 1.00 0.00 C ATOM 59 C TYR A 5 -1.454 -1.293 -3.635 1.00 0.00 C ATOM 60 O TYR A 5 -1.793 -1.681 -4.749 1.00 0.00 O ATOM 61 CB TYR A 5 -3.276 0.418 -3.470 1.00 0.00 C ATOM 62 CG TYR A 5 -4.002 1.460 -2.636 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.310 2.459 -1.938 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.408 1.503 -2.682 1.00 0.00 C ATOM 65 CE1 TYR A 5 -4.007 3.564 -1.412 1.00 0.00 C ATOM 66 CE2 TYR A 5 -6.110 2.584 -2.123 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.404 3.647 -1.549 1.00 0.00 C ATOM 68 OH TYR A 5 -6.080 4.786 -1.207 1.00 0.00 O ATOM 0 H TYR A 5 -1.354 1.523 -4.688 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.631 0.232 -2.137 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.368 0.717 -4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.818 -0.521 -3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.241 2.381 -1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.953 0.697 -3.152 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.468 4.349 -0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.190 2.594 -2.136 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.724 5.137 -0.364 1.00 0.00 H new ATOM 77 N ALA A 6 -0.817 -2.064 -2.755 1.00 0.00 N ATOM 78 CA ALA A 6 -0.516 -3.459 -3.026 1.00 0.00 C ATOM 79 C ALA A 6 -1.785 -4.294 -2.851 1.00 0.00 C ATOM 80 O ALA A 6 -2.479 -4.145 -1.844 1.00 0.00 O ATOM 81 CB ALA A 6 0.585 -3.924 -2.080 1.00 0.00 C ATOM 0 H ALA A 6 -0.499 -1.738 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.166 -3.580 -4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.816 -4.971 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.478 -3.319 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.249 -3.815 -1.049 1.00 0.00 H new ATOM 87 N VAL A 7 -2.098 -5.150 -3.829 1.00 0.00 N ATOM 88 CA VAL A 7 -3.326 -5.936 -3.852 1.00 0.00 C ATOM 89 C VAL A 7 -3.001 -7.408 -3.598 1.00 0.00 C ATOM 90 O VAL A 7 -1.971 -7.883 -4.067 1.00 0.00 O ATOM 91 CB VAL A 7 -4.069 -5.712 -5.180 1.00 0.00 C ATOM 92 CG1 VAL A 7 -4.215 -4.207 -5.424 1.00 0.00 C ATOM 93 CG2 VAL A 7 -3.396 -6.367 -6.395 1.00 0.00 C ATOM 0 H VAL A 7 -1.495 -5.315 -4.635 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.995 -5.611 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.041 -6.195 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.741 -4.040 -6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.781 -3.759 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.227 -3.749 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.983 -6.162 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.392 -5.961 -6.518 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.335 -7.444 -6.240 1.00 0.00 H new ATOM 103 N ASP A 8 -3.889 -8.085 -2.860 1.00 0.00 N ATOM 104 CA ASP A 8 -3.878 -9.467 -2.364 1.00 0.00 C ATOM 105 C ASP A 8 -2.968 -10.417 -3.157 1.00 0.00 C ATOM 106 O ASP A 8 -1.743 -10.322 -3.128 1.00 0.00 O ATOM 107 CB ASP A 8 -5.353 -9.899 -2.403 1.00 0.00 C ATOM 108 CG ASP A 8 -5.708 -11.173 -1.656 1.00 0.00 C ATOM 109 OD1 ASP A 8 -5.459 -12.237 -2.256 1.00 0.00 O ATOM 110 OD2 ASP A 8 -6.330 -11.057 -0.572 1.00 0.00 O ATOM 0 H ASP A 8 -4.742 -7.615 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.451 -9.515 -1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.957 -9.087 -1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.644 -10.023 -3.446 1.00 0.00 H new ATOM 114 N SER A 9 -3.587 -11.327 -3.898 1.00 0.00 N ATOM 115 CA SER A 9 -3.056 -11.943 -5.090 1.00 0.00 C ATOM 116 C SER A 9 -4.069 -11.694 -6.214 1.00 0.00 C ATOM 117 O SER A 9 -4.324 -12.567 -7.040 1.00 0.00 O ATOM 118 CB SER A 9 -2.789 -13.430 -4.811 1.00 0.00 C ATOM 119 OG SER A 9 -1.790 -13.938 -5.674 1.00 0.00 O ATOM 0 H SER A 9 -4.520 -11.667 -3.665 1.00 0.00 H new ATOM 0 HA SER A 9 -2.100 -11.519 -5.397 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.478 -13.559 -3.774 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.710 -13.999 -4.941 1.00 0.00 H new ATOM 0 HG SER A 9 -1.637 -14.885 -5.476 1.00 0.00 H new ATOM 124 N SER A 10 -4.704 -10.511 -6.215 1.00 0.00 N ATOM 125 CA SER A 10 -5.761 -10.201 -7.170 1.00 0.00 C ATOM 126 C SER A 10 -5.897 -8.696 -7.421 1.00 0.00 C ATOM 127 O SER A 10 -5.684 -8.236 -8.539 1.00 0.00 O ATOM 128 CB SER A 10 -7.071 -10.841 -6.681 1.00 0.00 C ATOM 129 OG SER A 10 -8.184 -10.401 -7.435 1.00 0.00 O ATOM 0 H SER A 10 -4.497 -9.757 -5.560 1.00 0.00 H new ATOM 0 HA SER A 10 -5.502 -10.625 -8.140 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.993 -11.926 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.225 -10.597 -5.630 1.00 0.00 H new ATOM 0 HG SER A 10 -8.998 -10.830 -7.097 1.00 0.00 H new ATOM 134 N GLY A 11 -6.311 -7.934 -6.405 1.00 0.00 N ATOM 135 CA GLY A 11 -6.854 -6.591 -6.599 1.00 0.00 C ATOM 136 C GLY A 11 -7.727 -6.203 -5.410 1.00 0.00 C ATOM 137 O GLY A 11 -7.671 -5.078 -4.920 1.00 0.00 O ATOM 0 H GLY A 11 -6.279 -8.231 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.041 -5.874 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.440 -6.556 -7.517 1.00 0.00 H new ATOM 141 N LYS A 12 -8.465 -7.194 -4.894 1.00 0.00 N ATOM 142 CA LYS A 12 -8.747 -7.364 -3.477 1.00 0.00 C ATOM 143 C LYS A 12 -7.659 -6.683 -2.629 1.00 0.00 C ATOM 144 O LYS A 12 -6.468 -6.921 -2.831 1.00 0.00 O ATOM 145 CB LYS A 12 -8.794 -8.887 -3.254 1.00 0.00 C ATOM 146 CG LYS A 12 -8.651 -9.402 -1.822 1.00 0.00 C ATOM 147 CD LYS A 12 -9.936 -9.391 -1.003 1.00 0.00 C ATOM 148 CE LYS A 12 -9.613 -9.737 0.465 1.00 0.00 C ATOM 149 NZ LYS A 12 -8.661 -10.867 0.611 1.00 0.00 N ATOM 0 H LYS A 12 -8.891 -7.917 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.687 -6.900 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.741 -9.254 -3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.003 -9.338 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.268 -10.422 -1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.904 -8.797 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.409 -8.410 -1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.645 -10.111 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.197 -8.856 0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.539 -9.983 0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.630 -11.169 1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.973 -11.662 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.713 -10.563 0.312 1.00 0.00 H new ATOM 159 N VAL A 13 -8.078 -5.832 -1.693 1.00 0.00 N ATOM 160 CA VAL A 13 -7.193 -5.094 -0.802 1.00 0.00 C ATOM 161 C VAL A 13 -7.054 -5.837 0.531 1.00 0.00 C ATOM 162 O VAL A 13 -7.635 -6.906 0.715 1.00 0.00 O ATOM 163 CB VAL A 13 -7.740 -3.666 -0.615 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.843 -2.944 -1.965 1.00 0.00 C ATOM 165 CG2 VAL A 13 -9.105 -3.627 0.088 1.00 0.00 C ATOM 0 H VAL A 13 -9.066 -5.634 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.196 -5.020 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.026 -3.154 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.231 -1.937 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.855 -2.886 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.515 -3.495 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.433 -2.592 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.834 -4.183 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.018 -4.078 1.077 1.00 0.00 H new ATOM 175 N SER A 14 -6.321 -5.243 1.478 1.00 0.00 N ATOM 176 CA SER A 14 -6.377 -5.591 2.888 1.00 0.00 C ATOM 177 C SER A 14 -6.319 -4.279 3.666 1.00 0.00 C ATOM 178 O SER A 14 -5.653 -3.345 3.218 1.00 0.00 O ATOM 179 CB SER A 14 -5.224 -6.528 3.267 1.00 0.00 C ATOM 180 OG SER A 14 -5.473 -7.045 4.560 1.00 0.00 O ATOM 0 H SER A 14 -5.661 -4.492 1.274 1.00 0.00 H new ATOM 0 HA SER A 14 -7.294 -6.131 3.124 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.142 -7.339 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.277 -5.989 3.250 1.00 0.00 H new ATOM 0 HG SER A 14 -4.657 -7.462 4.908 1.00 0.00 H new ATOM 185 N GLU A 15 -7.041 -4.208 4.786 1.00 0.00 N ATOM 186 CA GLU A 15 -7.069 -3.099 5.712 1.00 0.00 C ATOM 187 C GLU A 15 -6.606 -3.594 7.075 1.00 0.00 C ATOM 188 O GLU A 15 -6.258 -4.762 7.236 1.00 0.00 O ATOM 189 CB GLU A 15 -8.510 -2.600 5.825 1.00 0.00 C ATOM 190 CG GLU A 15 -8.621 -1.107 5.549 1.00 0.00 C ATOM 191 CD GLU A 15 -10.083 -0.689 5.583 1.00 0.00 C ATOM 192 OE1 GLU A 15 -10.576 -0.460 6.707 1.00 0.00 O ATOM 193 OE2 GLU A 15 -10.686 -0.662 4.489 1.00 0.00 O ATOM 0 H GLU A 15 -7.652 -4.971 5.078 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.419 -2.295 5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.139 -3.146 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.890 -2.813 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.055 -0.546 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.188 -0.874 4.576 1.00 0.00 H new ATOM 198 N CYS A 16 -6.678 -2.682 8.042 1.00 0.00 N ATOM 199 CA CYS A 16 -6.226 -2.803 9.429 1.00 0.00 C ATOM 200 C CYS A 16 -6.069 -1.408 10.037 1.00 0.00 C ATOM 201 O CYS A 16 -6.293 -0.407 9.362 1.00 0.00 O ATOM 202 CB CYS A 16 -4.866 -3.508 9.556 1.00 0.00 C ATOM 203 SG CYS A 16 -3.437 -2.478 9.149 1.00 0.00 S ATOM 0 H CYS A 16 -7.087 -1.765 7.863 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.979 -3.397 9.947 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.755 -3.871 10.578 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.863 -4.382 8.905 1.00 0.00 H new ATOM 207 N LEU A 17 -5.622 -1.358 11.298 1.00 0.00 N ATOM 208 CA LEU A 17 -5.109 -0.166 11.950 1.00 0.00 C ATOM 209 C LEU A 17 -3.572 -0.111 11.892 1.00 0.00 C ATOM 210 O LEU A 17 -2.997 0.955 11.696 1.00 0.00 O ATOM 211 CB LEU A 17 -5.626 -0.108 13.399 1.00 0.00 C ATOM 212 CG LEU A 17 -5.559 -1.426 14.197 1.00 0.00 C ATOM 213 CD1 LEU A 17 -5.228 -1.135 15.666 1.00 0.00 C ATOM 214 CD2 LEU A 17 -6.889 -2.191 14.141 1.00 0.00 C ATOM 0 H LEU A 17 -5.611 -2.178 11.905 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.473 0.712 11.416 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.054 0.648 13.937 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.662 0.229 13.380 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.780 -2.039 13.744 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.183 -2.072 16.221 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.264 -0.629 15.729 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.001 -0.497 16.094 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.802 -3.114 14.715 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.682 -1.574 14.564 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.128 -2.429 13.105 1.00 0.00 H new ATOM 225 N LEU A 18 -2.889 -1.243 12.105 1.00 0.00 N ATOM 226 CA LEU A 18 -1.446 -1.270 12.305 1.00 0.00 C ATOM 227 C LEU A 18 -0.654 -0.963 11.030 1.00 0.00 C ATOM 228 O LEU A 18 -0.707 -1.707 10.052 1.00 0.00 O ATOM 229 CB LEU A 18 -1.010 -2.642 12.830 1.00 0.00 C ATOM 230 CG LEU A 18 -1.599 -3.031 14.192 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.085 -4.430 14.528 1.00 0.00 C ATOM 232 CD2 LEU A 18 -1.183 -2.063 15.303 1.00 0.00 C ATOM 0 H LEU A 18 -3.327 -2.163 12.142 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.227 -0.487 13.031 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.291 -3.400 12.099 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.077 -2.658 12.903 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.687 -2.998 14.129 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.484 -4.742 15.493 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.408 -5.131 13.758 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.004 -4.417 14.573 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.625 -2.381 16.247 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.097 -2.059 15.394 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.531 -1.059 15.060 1.00 0.00 H new ATOM 243 N ASN A 19 0.205 0.052 11.091 1.00 0.00 N ATOM 244 CA ASN A 19 1.254 0.242 10.095 1.00 0.00 C ATOM 245 C ASN A 19 2.105 -1.028 9.974 1.00 0.00 C ATOM 246 O ASN A 19 2.396 -1.488 8.873 1.00 0.00 O ATOM 247 CB ASN A 19 2.124 1.467 10.428 1.00 0.00 C ATOM 248 CG ASN A 19 2.801 1.406 11.791 1.00 0.00 C ATOM 249 OD1 ASN A 19 2.386 0.657 12.674 1.00 0.00 O ATOM 250 ND2 ASN A 19 3.820 2.230 11.985 1.00 0.00 N ATOM 0 H ASN A 19 0.194 0.760 11.826 1.00 0.00 H new ATOM 0 HA ASN A 19 0.782 0.433 9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.890 1.573 9.660 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.503 2.361 10.384 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.288 2.258 12.891 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.136 2.837 11.229 1.00 0.00 H new ATOM 256 N ASN A 20 2.470 -1.610 11.119 1.00 0.00 N ATOM 257 CA ASN A 20 3.319 -2.792 11.217 1.00 0.00 C ATOM 258 C ASN A 20 2.756 -3.965 10.410 1.00 0.00 C ATOM 259 O ASN A 20 3.508 -4.634 9.707 1.00 0.00 O ATOM 260 CB ASN A 20 3.512 -3.192 12.687 1.00 0.00 C ATOM 261 CG ASN A 20 4.311 -2.166 13.490 1.00 0.00 C ATOM 262 OD1 ASN A 20 4.939 -1.270 12.935 1.00 0.00 O ATOM 263 ND2 ASN A 20 4.295 -2.283 14.815 1.00 0.00 N ATOM 0 H ASN A 20 2.172 -1.258 12.029 1.00 0.00 H new ATOM 0 HA ASN A 20 4.289 -2.537 10.790 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.535 -3.327 13.152 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.021 -4.155 12.731 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.812 -1.619 15.392 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.766 -3.036 15.254 1.00 0.00 H new ATOM 269 N TYR A 21 1.444 -4.217 10.500 1.00 0.00 N ATOM 270 CA TYR A 21 0.797 -5.253 9.698 1.00 0.00 C ATOM 271 C TYR A 21 1.122 -5.020 8.226 1.00 0.00 C ATOM 272 O TYR A 21 1.602 -5.913 7.527 1.00 0.00 O ATOM 273 CB TYR A 21 -0.724 -5.228 9.914 1.00 0.00 C ATOM 274 CG TYR A 21 -1.516 -6.054 8.912 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.627 -7.447 9.071 1.00 0.00 C ATOM 276 CD2 TYR A 21 -2.086 -5.439 7.777 1.00 0.00 C ATOM 277 CE1 TYR A 21 -2.312 -8.216 8.113 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.805 -6.202 6.840 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.905 -7.591 7.000 1.00 0.00 C ATOM 280 OH TYR A 21 -3.515 -8.338 6.035 1.00 0.00 O ATOM 0 H TYR A 21 0.812 -3.714 11.123 1.00 0.00 H new ATOM 0 HA TYR A 21 1.169 -6.231 10.005 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.942 -5.591 10.918 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.068 -4.195 9.867 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.185 -7.928 9.931 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.969 -4.376 7.627 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.383 -9.287 8.232 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.279 -5.719 5.999 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.879 -9.155 6.435 1.00 0.00 H new ATOM 289 N CYS A 22 0.851 -3.801 7.762 1.00 0.00 N ATOM 290 CA CYS A 22 1.026 -3.468 6.367 1.00 0.00 C ATOM 291 C CYS A 22 2.493 -3.583 5.982 1.00 0.00 C ATOM 292 O CYS A 22 2.778 -4.300 5.040 1.00 0.00 O ATOM 293 CB CYS A 22 0.427 -2.105 6.048 1.00 0.00 C ATOM 294 SG CYS A 22 -1.079 -2.177 5.062 1.00 0.00 S ATOM 0 H CYS A 22 0.509 -3.033 8.340 1.00 0.00 H new ATOM 0 HA CYS A 22 0.478 -4.185 5.755 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.212 -1.587 6.982 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.169 -1.509 5.516 1.00 0.00 H new ATOM 298 N ASN A 23 3.431 -2.953 6.701 1.00 0.00 N ATOM 299 CA ASN A 23 4.853 -3.147 6.540 1.00 0.00 C ATOM 300 C ASN A 23 5.211 -4.620 6.359 1.00 0.00 C ATOM 301 O ASN A 23 5.926 -4.973 5.422 1.00 0.00 O ATOM 302 CB ASN A 23 5.511 -2.603 7.811 1.00 0.00 C ATOM 303 CG ASN A 23 7.007 -2.651 7.642 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.640 -3.682 7.828 1.00 0.00 O ATOM 305 ND2 ASN A 23 7.551 -1.536 7.199 1.00 0.00 N ATOM 0 H ASN A 23 3.200 -2.277 7.429 1.00 0.00 H new ATOM 0 HA ASN A 23 5.201 -2.631 5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.185 -1.580 7.996 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.210 -3.195 8.675 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.549 -1.503 6.992 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.974 -0.706 7.063 1.00 0.00 H new ATOM 311 N ASN A 24 4.707 -5.485 7.243 1.00 0.00 N ATOM 312 CA ASN A 24 4.956 -6.897 7.155 1.00 0.00 C ATOM 313 C ASN A 24 4.517 -7.450 5.803 1.00 0.00 C ATOM 314 O ASN A 24 5.345 -7.975 5.071 1.00 0.00 O ATOM 315 CB ASN A 24 4.253 -7.593 8.319 1.00 0.00 C ATOM 316 CG ASN A 24 5.028 -8.839 8.675 1.00 0.00 C ATOM 317 OD1 ASN A 24 4.693 -9.955 8.290 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.115 -8.619 9.403 1.00 0.00 N ATOM 0 H ASN A 24 4.119 -5.212 8.031 1.00 0.00 H new ATOM 0 HA ASN A 24 6.027 -7.088 7.228 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.194 -6.926 9.179 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.230 -7.850 8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.717 -9.398 9.668 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.348 -7.671 9.697 1.00 0.00 H new ATOM 324 N ILE A 25 3.235 -7.316 5.453 1.00 0.00 N ATOM 325 CA ILE A 25 2.670 -7.817 4.203 1.00 0.00 C ATOM 326 C ILE A 25 3.468 -7.291 3.001 1.00 0.00 C ATOM 327 O ILE A 25 3.991 -8.053 2.187 1.00 0.00 O ATOM 328 CB ILE A 25 1.195 -7.370 4.167 1.00 0.00 C ATOM 329 CG1 ILE A 25 0.377 -8.022 5.294 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.531 -7.577 2.806 1.00 0.00 C ATOM 331 CD1 ILE A 25 -0.022 -9.478 5.032 1.00 0.00 C ATOM 0 H ILE A 25 2.549 -6.846 6.044 1.00 0.00 H new ATOM 0 HA ILE A 25 2.726 -8.904 4.147 1.00 0.00 H new ATOM 0 HB ILE A 25 1.207 -6.293 4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.955 -7.978 6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.527 -7.435 5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.505 -7.241 2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.065 -7.003 2.049 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.559 -8.635 2.545 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.595 -9.856 5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.630 -9.532 4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.875 -10.083 4.902 1.00 0.00 H new ATOM 342 N CYS A 26 3.553 -5.963 2.934 1.00 0.00 N ATOM 343 CA CYS A 26 4.337 -5.149 2.015 1.00 0.00 C ATOM 344 C CYS A 26 5.683 -5.793 1.715 1.00 0.00 C ATOM 345 O CYS A 26 6.009 -6.042 0.556 1.00 0.00 O ATOM 346 CB CYS A 26 4.510 -3.735 2.595 1.00 0.00 C ATOM 347 SG CYS A 26 3.092 -2.643 2.360 1.00 0.00 S ATOM 0 H CYS A 26 3.025 -5.379 3.583 1.00 0.00 H new ATOM 0 HA CYS A 26 3.802 -5.076 1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.714 -3.818 3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.386 -3.274 2.138 1.00 0.00 H new ATOM 351 N THR A 27 6.471 -6.064 2.750 1.00 0.00 N ATOM 352 CA THR A 27 7.809 -6.591 2.555 1.00 0.00 C ATOM 353 C THR A 27 7.775 -8.099 2.257 1.00 0.00 C ATOM 354 O THR A 27 8.613 -8.609 1.521 1.00 0.00 O ATOM 355 CB THR A 27 8.706 -6.163 3.726 1.00 0.00 C ATOM 356 OG1 THR A 27 9.974 -5.768 3.251 1.00 0.00 O ATOM 357 CG2 THR A 27 8.867 -7.239 4.790 1.00 0.00 C ATOM 0 H THR A 27 6.205 -5.927 3.725 1.00 0.00 H new ATOM 0 HA THR A 27 8.266 -6.161 1.664 1.00 0.00 H new ATOM 0 HB THR A 27 8.204 -5.321 4.203 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.892 -4.920 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.512 -6.869 5.587 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.890 -7.492 5.202 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.314 -8.128 4.344 1.00 0.00 H new ATOM 365 N LYS A 28 6.800 -8.824 2.811 1.00 0.00 N ATOM 366 CA LYS A 28 6.707 -10.273 2.706 1.00 0.00 C ATOM 367 C LYS A 28 6.471 -10.693 1.254 1.00 0.00 C ATOM 368 O LYS A 28 7.105 -11.631 0.771 1.00 0.00 O ATOM 369 CB LYS A 28 5.573 -10.780 3.614 1.00 0.00 C ATOM 370 CG LYS A 28 5.617 -12.289 3.892 1.00 0.00 C ATOM 371 CD LYS A 28 6.585 -12.593 5.046 1.00 0.00 C ATOM 372 CE LYS A 28 6.534 -14.081 5.421 1.00 0.00 C ATOM 373 NZ LYS A 28 7.364 -14.377 6.608 1.00 0.00 N ATOM 0 H LYS A 28 6.043 -8.409 3.353 1.00 0.00 H new ATOM 0 HA LYS A 28 7.647 -10.718 3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.616 -10.246 4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.616 -10.534 3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.619 -12.648 4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.932 -12.822 2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.600 -12.321 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.327 -11.985 5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.502 -14.371 5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.878 -14.680 4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.304 -15.391 6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.353 -14.124 6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.020 -13.824 7.419 1.00 0.00 H new ATOM 383 N VAL A 29 5.512 -10.045 0.590 1.00 0.00 N ATOM 384 CA VAL A 29 4.971 -10.457 -0.680 1.00 0.00 C ATOM 385 C VAL A 29 5.480 -9.542 -1.796 1.00 0.00 C ATOM 386 O VAL A 29 5.849 -10.018 -2.865 1.00 0.00 O ATOM 387 CB VAL A 29 3.446 -10.427 -0.506 1.00 0.00 C ATOM 388 CG1 VAL A 29 2.746 -10.494 -1.849 1.00 0.00 C ATOM 389 CG2 VAL A 29 2.973 -11.584 0.381 1.00 0.00 C ATOM 0 H VAL A 29 5.084 -9.190 0.946 1.00 0.00 H new ATOM 0 HA VAL A 29 5.287 -11.458 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 29 3.189 -9.485 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.667 -10.471 -1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.045 -9.641 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.022 -11.418 -2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.889 -11.540 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.254 -12.532 -0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.439 -11.503 1.363 1.00 0.00 H new ATOM 399 N TYR A 30 5.451 -8.226 -1.573 1.00 0.00 N ATOM 400 CA TYR A 30 5.725 -7.221 -2.577 1.00 0.00 C ATOM 401 C TYR A 30 7.146 -6.658 -2.451 1.00 0.00 C ATOM 402 O TYR A 30 7.583 -5.921 -3.330 1.00 0.00 O ATOM 403 CB TYR A 30 4.670 -6.125 -2.419 1.00 0.00 C ATOM 404 CG TYR A 30 3.240 -6.622 -2.301 1.00 0.00 C ATOM 405 CD1 TYR A 30 2.478 -6.916 -3.448 1.00 0.00 C ATOM 406 CD2 TYR A 30 2.709 -6.889 -1.027 1.00 0.00 C ATOM 407 CE1 TYR A 30 1.198 -7.490 -3.316 1.00 0.00 C ATOM 408 CE2 TYR A 30 1.429 -7.439 -0.898 1.00 0.00 C ATOM 409 CZ TYR A 30 0.673 -7.748 -2.035 1.00 0.00 C ATOM 410 OH TYR A 30 -0.544 -8.322 -1.857 1.00 0.00 O ATOM 0 H TYR A 30 5.229 -7.829 -0.660 1.00 0.00 H new ATOM 0 HA TYR A 30 5.671 -7.661 -3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.909 -5.537 -1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.736 -5.453 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.875 -6.701 -4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.291 -6.669 -0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.620 -7.732 -4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.022 -7.626 0.085 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.885 -8.639 -2.719 1.00 0.00 H new ATOM 419 N TYR A 31 7.851 -6.992 -1.362 1.00 0.00 N ATOM 420 CA TYR A 31 9.221 -6.578 -1.073 1.00 0.00 C ATOM 421 C TYR A 31 9.372 -5.068 -0.877 1.00 0.00 C ATOM 422 O TYR A 31 10.458 -4.518 -1.047 1.00 0.00 O ATOM 423 CB TYR A 31 10.219 -7.225 -2.020 1.00 0.00 C ATOM 424 CG TYR A 31 10.047 -8.730 -2.108 1.00 0.00 C ATOM 425 CD1 TYR A 31 10.290 -9.505 -0.959 1.00 0.00 C ATOM 426 CD2 TYR A 31 9.355 -9.300 -3.194 1.00 0.00 C ATOM 427 CE1 TYR A 31 9.689 -10.767 -0.822 1.00 0.00 C ATOM 428 CE2 TYR A 31 8.819 -10.594 -3.084 1.00 0.00 C ATOM 429 CZ TYR A 31 8.902 -11.282 -1.862 1.00 0.00 C ATOM 430 OH TYR A 31 8.122 -12.376 -1.641 1.00 0.00 O ATOM 0 H TYR A 31 7.460 -7.584 -0.629 1.00 0.00 H new ATOM 0 HA TYR A 31 9.481 -6.972 -0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.106 -6.791 -3.014 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.231 -6.997 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.939 -9.129 -0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.236 -8.742 -4.111 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.833 -11.340 0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.345 -11.058 -3.936 1.00 0.00 H new ATOM 0 HH TYR A 31 7.762 -12.342 -0.730 1.00 0.00 H new ATOM 439 N ALA A 32 8.301 -4.410 -0.423 1.00 0.00 N ATOM 440 CA ALA A 32 8.332 -3.004 -0.084 1.00 0.00 C ATOM 441 C ALA A 32 8.904 -2.793 1.318 1.00 0.00 C ATOM 442 O ALA A 32 8.664 -3.588 2.221 1.00 0.00 O ATOM 443 CB ALA A 32 6.914 -2.466 -0.220 1.00 0.00 C ATOM 0 H ALA A 32 7.391 -4.848 -0.284 1.00 0.00 H new ATOM 0 HA ALA A 32 8.990 -2.457 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.902 -1.405 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.570 -2.602 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.253 -3.006 0.459 1.00 0.00 H new ATOM 449 N THR A 33 9.671 -1.715 1.500 1.00 0.00 N ATOM 450 CA THR A 33 10.328 -1.400 2.766 1.00 0.00 C ATOM 451 C THR A 33 9.302 -1.096 3.869 1.00 0.00 C ATOM 452 O THR A 33 9.419 -1.561 5.006 1.00 0.00 O ATOM 453 CB THR A 33 11.352 -0.268 2.550 1.00 0.00 C ATOM 454 OG1 THR A 33 12.040 0.005 3.751 1.00 0.00 O ATOM 455 CG2 THR A 33 10.744 1.041 2.029 1.00 0.00 C ATOM 0 H THR A 33 9.853 -1.032 0.765 1.00 0.00 H new ATOM 0 HA THR A 33 10.880 -2.272 3.118 1.00 0.00 H new ATOM 0 HB THR A 33 12.029 -0.637 1.780 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.688 0.724 3.600 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.532 1.784 1.905 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.260 0.861 1.069 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.007 1.409 2.743 1.00 0.00 H new ATOM 463 N SER A 34 8.269 -0.318 3.536 1.00 0.00 N ATOM 464 CA SER A 34 7.185 -0.026 4.454 1.00 0.00 C ATOM 465 C SER A 34 5.936 0.345 3.678 1.00 0.00 C ATOM 466 O SER A 34 5.864 0.054 2.487 1.00 0.00 O ATOM 467 CB SER A 34 7.599 1.042 5.478 1.00 0.00 C ATOM 468 OG SER A 34 6.668 1.058 6.549 1.00 0.00 O ATOM 0 H SER A 34 8.168 0.123 2.622 1.00 0.00 H new ATOM 0 HA SER A 34 6.951 -0.920 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.600 0.831 5.855 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.638 2.022 5.002 1.00 0.00 H new ATOM 0 HG SER A 34 6.933 1.738 7.203 1.00 0.00 H new ATOM 473 N GLY A 35 4.960 0.940 4.361 1.00 0.00 N ATOM 474 CA GLY A 35 3.558 0.905 3.986 1.00 0.00 C ATOM 475 C GLY A 35 2.735 1.069 5.248 1.00 0.00 C ATOM 476 O GLY A 35 3.289 1.128 6.346 1.00 0.00 O ATOM 0 H GLY A 35 5.133 1.473 5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.333 1.702 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.318 -0.037 3.494 1.00 0.00 H new ATOM 480 N TYR A 36 1.419 1.143 5.084 1.00 0.00 N ATOM 481 CA TYR A 36 0.467 1.265 6.174 1.00 0.00 C ATOM 482 C TYR A 36 -0.928 1.082 5.599 1.00 0.00 C ATOM 483 O TYR A 36 -1.122 1.156 4.381 1.00 0.00 O ATOM 484 CB TYR A 36 0.614 2.597 6.925 1.00 0.00 C ATOM 485 CG TYR A 36 0.700 3.800 6.021 1.00 0.00 C ATOM 486 CD1 TYR A 36 -0.405 4.177 5.234 1.00 0.00 C ATOM 487 CD2 TYR A 36 1.960 4.359 5.765 1.00 0.00 C ATOM 488 CE1 TYR A 36 -0.208 4.954 4.082 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.129 5.195 4.662 1.00 0.00 C ATOM 490 CZ TYR A 36 1.075 5.435 3.780 1.00 0.00 C ATOM 491 OH TYR A 36 1.364 6.090 2.627 1.00 0.00 O ATOM 0 H TYR A 36 0.977 1.119 4.165 1.00 0.00 H new ATOM 0 HA TYR A 36 0.661 0.493 6.919 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.235 2.720 7.597 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.509 2.556 7.546 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.401 3.869 5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.793 4.144 6.417 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.040 5.181 3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.087 5.662 4.488 1.00 0.00 H new ATOM 0 HH TYR A 36 2.242 5.804 2.299 1.00 0.00 H new ATOM 500 N CYS A 37 -1.886 0.849 6.492 1.00 0.00 N ATOM 501 CA CYS A 37 -3.282 0.673 6.129 1.00 0.00 C ATOM 502 C CYS A 37 -3.848 2.051 5.790 1.00 0.00 C ATOM 503 O CYS A 37 -4.275 2.800 6.665 1.00 0.00 O ATOM 504 CB CYS A 37 -4.031 -0.088 7.230 1.00 0.00 C ATOM 505 SG CYS A 37 -3.654 -1.863 7.173 1.00 0.00 S ATOM 0 H CYS A 37 -1.710 0.777 7.494 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.403 0.048 5.244 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.756 0.314 8.205 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.104 0.063 7.114 1.00 0.00 H new ATOM 509 N CYS A 38 -3.762 2.406 4.507 1.00 0.00 N ATOM 510 CA CYS A 38 -4.293 3.632 3.934 1.00 0.00 C ATOM 511 C CYS A 38 -5.824 3.585 3.978 1.00 0.00 C ATOM 512 O CYS A 38 -6.382 2.506 4.152 1.00 0.00 O ATOM 513 CB CYS A 38 -3.803 3.745 2.484 1.00 0.00 C ATOM 514 SG CYS A 38 -4.297 5.258 1.628 1.00 0.00 S ATOM 0 H CYS A 38 -3.299 1.818 3.814 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.952 4.499 4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.715 3.680 2.478 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.176 2.889 1.922 1.00 0.00 H new ATOM 518 N LEU A 39 -6.478 4.741 3.781 1.00 0.00 N ATOM 519 CA LEU A 39 -7.920 4.999 3.789 1.00 0.00 C ATOM 520 C LEU A 39 -8.791 3.736 3.733 1.00 0.00 C ATOM 521 O LEU A 39 -9.616 3.523 4.614 1.00 0.00 O ATOM 522 CB LEU A 39 -8.283 5.982 2.652 1.00 0.00 C ATOM 523 CG LEU A 39 -9.393 6.991 3.008 1.00 0.00 C ATOM 524 CD1 LEU A 39 -10.652 6.342 3.592 1.00 0.00 C ATOM 525 CD2 LEU A 39 -8.886 8.092 3.948 1.00 0.00 C ATOM 0 H LEU A 39 -5.957 5.598 3.595 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.147 5.450 4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.387 6.533 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.597 5.409 1.780 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.678 7.440 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.388 7.114 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.070 5.643 2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.395 5.807 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.700 8.781 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.524 7.643 4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.073 8.636 3.467 1.00 0.00 H new ATOM 536 N LEU A 40 -8.614 2.919 2.688 1.00 0.00 N ATOM 537 CA LEU A 40 -9.225 1.598 2.614 1.00 0.00 C ATOM 538 C LEU A 40 -8.376 0.627 1.784 1.00 0.00 C ATOM 539 O LEU A 40 -8.878 -0.040 0.882 1.00 0.00 O ATOM 540 CB LEU A 40 -10.693 1.710 2.156 1.00 0.00 C ATOM 541 CG LEU A 40 -10.995 2.658 0.998 1.00 0.00 C ATOM 542 CD1 LEU A 40 -10.193 2.393 -0.280 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.494 2.631 0.681 1.00 0.00 C ATOM 0 H LEU A 40 -8.045 3.159 1.876 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.251 1.160 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.035 0.714 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.291 2.022 3.012 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.683 3.644 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.477 3.116 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.128 2.489 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.402 1.385 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.703 3.309 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.789 1.619 0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.057 2.945 1.560 1.00 0.00 H new ATOM 554 N SER A 41 -7.066 0.556 2.052 1.00 0.00 N ATOM 555 CA SER A 41 -6.171 -0.400 1.407 1.00 0.00 C ATOM 556 C SER A 41 -4.820 -0.415 2.123 1.00 0.00 C ATOM 557 O SER A 41 -4.662 0.223 3.159 1.00 0.00 O ATOM 558 CB SER A 41 -5.974 -0.031 -0.069 1.00 0.00 C ATOM 559 OG SER A 41 -5.284 -1.046 -0.777 1.00 0.00 O ATOM 0 H SER A 41 -6.600 1.164 2.725 1.00 0.00 H new ATOM 0 HA SER A 41 -6.618 -1.392 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.945 0.141 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.418 0.904 -0.139 1.00 0.00 H new ATOM 0 HG SER A 41 -4.942 -0.682 -1.620 1.00 0.00 H new ATOM 564 N CYS A 42 -3.831 -1.084 1.526 1.00 0.00 N ATOM 565 CA CYS A 42 -2.476 -1.188 2.043 1.00 0.00 C ATOM 566 C CYS A 42 -1.499 -0.541 1.082 1.00 0.00 C ATOM 567 O CYS A 42 -1.205 -1.062 0.003 1.00 0.00 O ATOM 568 CB CYS A 42 -2.107 -2.650 2.284 1.00 0.00 C ATOM 569 SG CYS A 42 -0.545 -2.852 3.170 1.00 0.00 S ATOM 0 H CYS A 42 -3.961 -1.581 0.644 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.424 -0.662 2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.904 -3.131 2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.043 -3.165 1.325 1.00 0.00 H new ATOM 573 N TYR A 43 -1.007 0.622 1.496 1.00 0.00 N ATOM 574 CA TYR A 43 0.077 1.285 0.818 1.00 0.00 C ATOM 575 C TYR A 43 1.339 0.526 1.109 1.00 0.00 C ATOM 576 O TYR A 43 1.499 0.031 2.224 1.00 0.00 O ATOM 577 CB TYR A 43 0.262 2.689 1.373 1.00 0.00 C ATOM 578 CG TYR A 43 0.504 3.713 0.285 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.564 4.047 -0.553 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.806 4.086 -0.090 1.00 0.00 C ATOM 581 CE1 TYR A 43 -0.319 4.618 -1.813 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.007 4.919 -1.205 1.00 0.00 C ATOM 583 CZ TYR A 43 0.948 5.147 -2.099 1.00 0.00 C ATOM 584 OH TYR A 43 1.155 5.745 -3.304 1.00 0.00 O ATOM 0 H TYR A 43 -1.356 1.124 2.313 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.140 1.329 -0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.623 2.971 1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.103 2.695 2.067 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.579 3.866 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.653 3.732 0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.101 4.649 -2.557 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.969 5.380 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 43 2.115 5.891 -3.436 1.00 0.00 H new ATOM 593 N CYS A 44 2.241 0.524 0.142 1.00 0.00 N ATOM 594 CA CYS A 44 3.568 0.010 0.236 1.00 0.00 C ATOM 595 C CYS A 44 4.517 1.023 -0.419 1.00 0.00 C ATOM 596 O CYS A 44 4.041 1.854 -1.193 1.00 0.00 O ATOM 597 CB CYS A 44 3.536 -1.316 -0.476 1.00 0.00 C ATOM 598 SG CYS A 44 2.649 -2.685 0.320 1.00 0.00 S ATOM 0 H CYS A 44 2.039 0.909 -0.781 1.00 0.00 H new ATOM 0 HA CYS A 44 3.920 -0.138 1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.093 -1.157 -1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.566 -1.634 -0.638 1.00 0.00 H new ATOM 602 N PHE A 45 5.822 0.966 -0.109 1.00 0.00 N ATOM 603 CA PHE A 45 6.859 1.930 -0.500 1.00 0.00 C ATOM 604 C PHE A 45 8.075 1.291 -1.185 1.00 0.00 C ATOM 605 O PHE A 45 9.163 1.862 -1.178 1.00 0.00 O ATOM 606 CB PHE A 45 7.315 2.741 0.725 1.00 0.00 C ATOM 607 CG PHE A 45 6.366 3.847 1.117 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.218 3.532 1.853 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.584 5.170 0.687 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.286 4.530 2.160 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.650 6.173 1.000 1.00 0.00 C ATOM 612 CZ PHE A 45 4.497 5.853 1.735 1.00 0.00 C ATOM 0 H PHE A 45 6.201 0.203 0.452 1.00 0.00 H new ATOM 0 HA PHE A 45 6.399 2.585 -1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.437 2.064 1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.294 3.173 0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.051 2.518 2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.468 5.414 0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.400 4.282 2.726 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.819 7.189 0.675 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.775 6.620 1.973 1.00 0.00 H new ATOM 621 N GLY A 46 7.918 0.116 -1.781 1.00 0.00 N ATOM 622 CA GLY A 46 8.951 -0.453 -2.637 1.00 0.00 C ATOM 623 C GLY A 46 8.405 -1.673 -3.365 1.00 0.00 C ATOM 624 O GLY A 46 9.003 -2.741 -3.297 1.00 0.00 O ATOM 0 H GLY A 46 7.083 -0.463 -1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.289 0.291 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.818 -0.733 -2.039 1.00 0.00 H new ATOM 628 N LEU A 47 7.234 -1.544 -3.998 1.00 0.00 N ATOM 629 CA LEU A 47 6.603 -2.635 -4.684 1.00 0.00 C ATOM 630 C LEU A 47 7.519 -3.147 -5.791 1.00 0.00 C ATOM 631 O LEU A 47 8.442 -2.470 -6.246 1.00 0.00 O ATOM 632 CB LEU A 47 5.249 -2.169 -5.251 1.00 0.00 C ATOM 633 CG LEU A 47 4.297 -1.611 -4.175 1.00 0.00 C ATOM 634 CD1 LEU A 47 4.696 -0.309 -3.571 1.00 0.00 C ATOM 635 CD2 LEU A 47 2.876 -1.394 -4.688 1.00 0.00 C ATOM 0 H LEU A 47 6.710 -0.670 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 47 6.421 -3.455 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.424 -1.402 -6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.766 -3.007 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 47 4.352 -2.396 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.956 -0.011 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.670 -0.413 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.754 0.451 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.255 -1.000 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.892 -0.684 -5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.465 -2.343 -5.033 1.00 0.00 H new ATOM 646 N ASP A 48 7.182 -4.346 -6.241 1.00 0.00 N ATOM 647 CA ASP A 48 7.633 -4.924 -7.492 1.00 0.00 C ATOM 648 C ASP A 48 7.004 -4.094 -8.619 1.00 0.00 C ATOM 649 O ASP A 48 6.543 -2.971 -8.413 1.00 0.00 O ATOM 650 CB ASP A 48 7.164 -6.387 -7.459 1.00 0.00 C ATOM 651 CG ASP A 48 7.513 -7.298 -8.619 1.00 0.00 C ATOM 652 OD1 ASP A 48 8.378 -6.905 -9.426 1.00 0.00 O ATOM 653 OD2 ASP A 48 6.832 -8.345 -8.714 1.00 0.00 O ATOM 0 H ASP A 48 6.561 -4.966 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 48 8.711 -4.911 -7.649 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.565 -6.840 -6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.079 -6.382 -7.360 1.00 0.00 H new ATOM 657 N ASP A 49 6.944 -4.663 -9.812 1.00 0.00 N ATOM 658 CA ASP A 49 6.276 -4.052 -10.951 1.00 0.00 C ATOM 659 C ASP A 49 4.756 -3.969 -10.712 1.00 0.00 C ATOM 660 O ASP A 49 4.269 -4.234 -9.611 1.00 0.00 O ATOM 661 CB ASP A 49 6.680 -4.763 -12.249 1.00 0.00 C ATOM 662 CG ASP A 49 6.533 -3.822 -13.431 1.00 0.00 C ATOM 663 OD1 ASP A 49 5.421 -3.791 -13.993 1.00 0.00 O ATOM 664 OD2 ASP A 49 7.480 -3.043 -13.679 1.00 0.00 O ATOM 0 H ASP A 49 7.361 -5.570 -10.020 1.00 0.00 H new ATOM 0 HA ASP A 49 6.605 -3.019 -11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.711 -5.109 -12.177 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.057 -5.645 -12.398 1.00 0.00 H new ATOM 668 N ASP A 50 3.972 -3.597 -11.725 1.00 0.00 N ATOM 669 CA ASP A 50 2.551 -3.332 -11.592 1.00 0.00 C ATOM 670 C ASP A 50 1.780 -4.642 -11.670 1.00 0.00 C ATOM 671 O ASP A 50 1.039 -4.959 -12.601 1.00 0.00 O ATOM 672 CB ASP A 50 2.049 -2.409 -12.677 1.00 0.00 C ATOM 673 CG ASP A 50 0.604 -1.976 -12.437 1.00 0.00 C ATOM 674 OD1 ASP A 50 0.097 -2.251 -11.325 1.00 0.00 O ATOM 675 OD2 ASP A 50 0.045 -1.342 -13.353 1.00 0.00 O ATOM 0 H ASP A 50 4.320 -3.471 -12.676 1.00 0.00 H new ATOM 0 HA ASP A 50 2.394 -2.848 -10.628 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.688 -1.527 -12.727 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.122 -2.911 -13.642 1.00 0.00 H new ATOM 679 N LYS A 51 1.929 -5.380 -10.599 1.00 0.00 N ATOM 680 CA LYS A 51 1.027 -6.466 -10.232 1.00 0.00 C ATOM 681 C LYS A 51 -0.323 -5.889 -9.781 1.00 0.00 C ATOM 682 O LYS A 51 -0.778 -6.159 -8.671 1.00 0.00 O ATOM 683 CB LYS A 51 1.687 -7.371 -9.185 1.00 0.00 C ATOM 684 CG LYS A 51 2.042 -6.595 -7.910 1.00 0.00 C ATOM 685 CD LYS A 51 3.539 -6.666 -7.598 1.00 0.00 C ATOM 686 CE LYS A 51 3.951 -7.989 -6.923 1.00 0.00 C ATOM 687 NZ LYS A 51 4.433 -8.991 -7.895 1.00 0.00 N ATOM 0 H LYS A 51 2.694 -5.248 -9.938 1.00 0.00 H new ATOM 0 HA LYS A 51 0.824 -7.098 -11.097 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.014 -8.192 -8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.590 -7.815 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.744 -5.553 -8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.476 -6.998 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.103 -6.545 -8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.809 -5.833 -6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.734 -7.792 -6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.099 -8.396 -6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.761 -9.837 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.658 -9.252 -8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.220 -8.591 -8.445 1.00 0.00 H new ATOM 697 N ALA A 52 -0.939 -5.079 -10.645 1.00 0.00 N ATOM 698 CA ALA A 52 -2.167 -4.340 -10.405 1.00 0.00 C ATOM 699 C ALA A 52 -2.110 -3.553 -9.096 1.00 0.00 C ATOM 700 O ALA A 52 -2.926 -3.790 -8.208 1.00 0.00 O ATOM 701 CB ALA A 52 -3.365 -5.295 -10.459 1.00 0.00 C ATOM 0 H ALA A 52 -0.568 -4.917 -11.581 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.288 -3.598 -11.194 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.284 -4.737 -10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.412 -5.764 -11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.252 -6.064 -9.695 1.00 0.00 H new ATOM 707 N VAL A 53 -1.198 -2.582 -8.975 1.00 0.00 N ATOM 708 CA VAL A 53 -1.305 -1.642 -7.865 1.00 0.00 C ATOM 709 C VAL A 53 -2.622 -0.885 -8.046 1.00 0.00 C ATOM 710 O VAL A 53 -2.980 -0.547 -9.175 1.00 0.00 O ATOM 711 CB VAL A 53 -0.077 -0.717 -7.705 1.00 0.00 C ATOM 712 CG1 VAL A 53 1.211 -1.545 -7.739 1.00 0.00 C ATOM 713 CG2 VAL A 53 0.028 0.415 -8.731 1.00 0.00 C ATOM 0 H VAL A 53 -0.410 -2.432 -9.605 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.313 -2.188 -6.921 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.217 -0.232 -6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.071 -0.885 -7.626 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.200 -2.269 -6.924 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.280 -2.071 -8.691 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.923 1.005 -8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.088 -0.007 -9.734 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.852 1.054 -8.659 1.00 0.00 H new ATOM 723 N LEU A 54 -3.389 -0.670 -6.973 1.00 0.00 N ATOM 724 CA LEU A 54 -4.710 -0.083 -7.152 1.00 0.00 C ATOM 725 C LEU A 54 -4.627 1.328 -7.730 1.00 0.00 C ATOM 726 O LEU A 54 -3.582 1.974 -7.783 1.00 0.00 O ATOM 727 CB LEU A 54 -5.552 -0.078 -5.865 1.00 0.00 C ATOM 728 CG LEU A 54 -6.961 -0.689 -6.036 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.929 -2.207 -6.214 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.833 -0.367 -4.819 1.00 0.00 C ATOM 0 H LEU A 54 -3.129 -0.885 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.219 -0.728 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.019 -0.630 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.652 0.948 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.377 -0.245 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.946 -2.581 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.347 -2.457 -7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.471 -2.666 -5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.822 -0.804 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.373 -0.781 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.925 0.714 -4.713 1.00 0.00 H new ATOM 741 N LYS A 55 -5.808 1.796 -8.110 1.00 0.00 N ATOM 742 CA LYS A 55 -6.078 3.115 -8.636 1.00 0.00 C ATOM 743 C LYS A 55 -6.646 3.924 -7.479 1.00 0.00 C ATOM 744 O LYS A 55 -7.706 3.587 -6.953 1.00 0.00 O ATOM 745 CB LYS A 55 -7.049 3.032 -9.821 1.00 0.00 C ATOM 746 CG LYS A 55 -6.412 2.267 -10.991 1.00 0.00 C ATOM 747 CD LYS A 55 -7.362 2.111 -12.190 1.00 0.00 C ATOM 748 CE LYS A 55 -7.708 3.460 -12.842 1.00 0.00 C ATOM 749 NZ LYS A 55 -8.488 3.293 -14.086 1.00 0.00 N ATOM 0 H LYS A 55 -6.651 1.225 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.178 3.593 -9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.967 2.534 -9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.324 4.036 -10.143 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.511 2.789 -11.313 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.103 1.280 -10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.902 1.459 -12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.280 1.623 -11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.276 4.067 -12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.788 4.002 -13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.699 4.227 -14.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.937 2.736 -14.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.378 2.799 -13.874 1.00 0.00 H new ATOM 759 N ILE A 56 -5.896 4.927 -7.027 1.00 0.00 N ATOM 760 CA ILE A 56 -6.103 5.562 -5.740 1.00 0.00 C ATOM 761 C ILE A 56 -6.591 6.993 -5.948 1.00 0.00 C ATOM 762 O ILE A 56 -6.230 7.642 -6.927 1.00 0.00 O ATOM 763 CB ILE A 56 -4.817 5.424 -4.907 1.00 0.00 C ATOM 764 CG1 ILE A 56 -3.627 6.203 -5.485 1.00 0.00 C ATOM 765 CG2 ILE A 56 -4.448 3.937 -4.867 1.00 0.00 C ATOM 766 CD1 ILE A 56 -2.353 6.005 -4.657 1.00 0.00 C ATOM 0 H ILE A 56 -5.119 5.322 -7.556 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.889 5.073 -5.165 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.016 5.838 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.446 5.880 -6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.873 7.264 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.538 3.804 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.260 3.373 -4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.283 3.576 -5.882 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.537 6.574 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.524 6.352 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.091 4.947 -4.640 1.00 0.00 H new ATOM 777 N LYS A 57 -7.461 7.467 -5.052 1.00 0.00 N ATOM 778 CA LYS A 57 -8.054 8.788 -5.166 1.00 0.00 C ATOM 779 C LYS A 57 -6.984 9.811 -4.807 1.00 0.00 C ATOM 780 O LYS A 57 -6.123 9.508 -3.985 1.00 0.00 O ATOM 781 CB LYS A 57 -9.245 8.920 -4.211 1.00 0.00 C ATOM 782 CG LYS A 57 -10.254 7.752 -4.284 1.00 0.00 C ATOM 783 CD LYS A 57 -10.401 6.904 -2.999 1.00 0.00 C ATOM 784 CE LYS A 57 -9.480 5.666 -2.880 1.00 0.00 C ATOM 785 NZ LYS A 57 -8.551 5.743 -1.727 1.00 0.00 N ATOM 0 H LYS A 57 -7.769 6.943 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.415 8.952 -6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.870 8.997 -3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.769 9.851 -4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.232 8.158 -4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.958 7.092 -5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.217 7.550 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.435 6.568 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.095 4.771 -2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.902 5.560 -3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.840 4.988 -1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.075 6.668 -1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.085 5.628 -0.842 1.00 0.00 H new ATOM 795 N ASP A 58 -7.048 11.017 -5.370 1.00 0.00 N ATOM 796 CA ASP A 58 -5.959 11.984 -5.240 1.00 0.00 C ATOM 797 C ASP A 58 -5.694 12.295 -3.779 1.00 0.00 C ATOM 798 O ASP A 58 -4.628 12.018 -3.239 1.00 0.00 O ATOM 799 CB ASP A 58 -6.257 13.296 -5.963 1.00 0.00 C ATOM 800 CG ASP A 58 -5.084 14.239 -5.709 1.00 0.00 C ATOM 801 OD1 ASP A 58 -4.005 13.973 -6.280 1.00 0.00 O ATOM 802 OD2 ASP A 58 -5.262 15.142 -4.865 1.00 0.00 O ATOM 0 H ASP A 58 -7.841 11.347 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.084 11.523 -5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.386 13.124 -7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.186 13.733 -5.597 1.00 0.00 H new ATOM 806 N ALA A 59 -6.710 12.845 -3.127 1.00 0.00 N ATOM 807 CA ALA A 59 -6.624 13.193 -1.720 1.00 0.00 C ATOM 808 C ALA A 59 -6.112 12.012 -0.895 1.00 0.00 C ATOM 809 O ALA A 59 -5.266 12.196 -0.022 1.00 0.00 O ATOM 810 CB ALA A 59 -7.980 13.688 -1.214 1.00 0.00 C ATOM 0 H ALA A 59 -7.610 13.060 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.905 14.004 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.902 13.946 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.281 14.569 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.725 12.903 -1.342 1.00 0.00 H new ATOM 816 N THR A 60 -6.578 10.791 -1.187 1.00 0.00 N ATOM 817 CA THR A 60 -6.081 9.630 -0.467 1.00 0.00 C ATOM 818 C THR A 60 -4.642 9.279 -0.853 1.00 0.00 C ATOM 819 O THR A 60 -3.912 8.767 -0.012 1.00 0.00 O ATOM 820 CB THR A 60 -7.011 8.429 -0.608 1.00 0.00 C ATOM 821 OG1 THR A 60 -7.061 7.942 -1.936 1.00 0.00 O ATOM 822 CG2 THR A 60 -8.424 8.784 -0.140 1.00 0.00 C ATOM 0 H THR A 60 -7.280 10.592 -1.899 1.00 0.00 H new ATOM 0 HA THR A 60 -6.067 9.904 0.588 1.00 0.00 H new ATOM 0 HB THR A 60 -6.603 7.640 0.023 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.722 8.628 -2.549 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.072 7.915 -0.248 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.395 9.087 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.812 9.604 -0.744 1.00 0.00 H new ATOM 830 N LYS A 61 -4.226 9.538 -2.099 1.00 0.00 N ATOM 831 CA LYS A 61 -2.841 9.412 -2.496 1.00 0.00 C ATOM 832 C LYS A 61 -2.065 10.327 -1.586 1.00 0.00 C ATOM 833 O LYS A 61 -1.312 9.851 -0.761 1.00 0.00 O ATOM 834 CB LYS A 61 -2.677 9.744 -3.990 1.00 0.00 C ATOM 835 CG LYS A 61 -1.449 10.546 -4.461 1.00 0.00 C ATOM 836 CD LYS A 61 -1.914 11.928 -4.937 1.00 0.00 C ATOM 837 CE LYS A 61 -0.761 12.853 -5.338 1.00 0.00 C ATOM 838 NZ LYS A 61 0.006 13.307 -4.159 1.00 0.00 N ATOM 0 H LYS A 61 -4.848 9.839 -2.850 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.466 8.394 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.679 8.801 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.565 10.294 -4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.731 10.649 -3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.942 10.019 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.584 11.805 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.491 12.402 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.097 12.330 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.156 13.718 -5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.655 14.070 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.650 13.660 -3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.554 12.511 -3.774 1.00 0.00 H new ATOM 848 N SER A 62 -2.299 11.626 -1.710 1.00 0.00 N ATOM 849 CA SER A 62 -1.580 12.653 -0.961 1.00 0.00 C ATOM 850 C SER A 62 -1.481 12.318 0.537 1.00 0.00 C ATOM 851 O SER A 62 -0.390 12.338 1.106 1.00 0.00 O ATOM 852 CB SER A 62 -2.205 14.018 -1.247 1.00 0.00 C ATOM 853 OG SER A 62 -2.008 14.313 -2.623 1.00 0.00 O ATOM 0 H SER A 62 -3.004 12.004 -2.343 1.00 0.00 H new ATOM 0 HA SER A 62 -0.545 12.687 -1.300 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.268 14.007 -1.008 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.746 14.785 -0.624 1.00 0.00 H new ATOM 0 HG SER A 62 -2.403 15.185 -2.830 1.00 0.00 H new ATOM 858 N TYR A 63 -2.608 11.959 1.159 1.00 0.00 N ATOM 859 CA TYR A 63 -2.668 11.432 2.521 1.00 0.00 C ATOM 860 C TYR A 63 -1.643 10.313 2.725 1.00 0.00 C ATOM 861 O TYR A 63 -0.901 10.302 3.704 1.00 0.00 O ATOM 862 CB TYR A 63 -4.088 10.897 2.759 1.00 0.00 C ATOM 863 CG TYR A 63 -4.343 10.148 4.057 1.00 0.00 C ATOM 864 CD1 TYR A 63 -3.816 10.622 5.274 1.00 0.00 C ATOM 865 CD2 TYR A 63 -5.145 8.987 4.052 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.050 9.920 6.468 1.00 0.00 C ATOM 867 CE2 TYR A 63 -5.372 8.282 5.247 1.00 0.00 C ATOM 868 CZ TYR A 63 -4.827 8.748 6.453 1.00 0.00 C ATOM 869 OH TYR A 63 -5.072 8.069 7.609 1.00 0.00 O ATOM 0 H TYR A 63 -3.524 12.029 0.717 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.432 12.225 3.231 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.778 11.740 2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.342 10.234 1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.230 11.529 5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.585 8.640 3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.633 10.280 7.397 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.967 7.381 5.237 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.626 7.284 7.416 1.00 0.00 H new ATOM 878 N CYS A 64 -1.644 9.356 1.802 1.00 0.00 N ATOM 879 CA CYS A 64 -0.845 8.142 1.818 1.00 0.00 C ATOM 880 C CYS A 64 0.363 8.216 0.868 1.00 0.00 C ATOM 881 O CYS A 64 0.716 7.186 0.294 1.00 0.00 O ATOM 882 CB CYS A 64 -1.763 6.969 1.441 1.00 0.00 C ATOM 883 SG CYS A 64 -3.182 6.749 2.541 1.00 0.00 S ATOM 0 H CYS A 64 -2.239 9.414 0.975 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.431 8.005 2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.126 7.120 0.424 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.176 6.051 1.437 1.00 0.00 H new ATOM 887 N ASP A 65 0.992 9.388 0.699 1.00 0.00 N ATOM 888 CA ASP A 65 2.060 9.620 -0.282 1.00 0.00 C ATOM 889 C ASP A 65 3.341 10.010 0.452 1.00 0.00 C ATOM 890 O ASP A 65 4.219 9.181 0.684 1.00 0.00 O ATOM 891 CB ASP A 65 1.571 10.702 -1.261 1.00 0.00 C ATOM 892 CG ASP A 65 2.507 11.106 -2.384 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.678 10.677 -2.371 1.00 0.00 O ATOM 894 OD2 ASP A 65 1.987 11.846 -3.254 1.00 0.00 O ATOM 0 H ASP A 65 0.768 10.216 1.251 1.00 0.00 H new ATOM 0 HA ASP A 65 2.291 8.723 -0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.640 10.355 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.334 11.595 -0.683 1.00 0.00 H new ATOM 898 N VAL A 66 3.408 11.263 0.908 1.00 0.00 N ATOM 899 CA VAL A 66 4.554 11.808 1.629 1.00 0.00 C ATOM 900 C VAL A 66 4.746 11.114 2.986 1.00 0.00 C ATOM 901 O VAL A 66 5.842 11.128 3.537 1.00 0.00 O ATOM 902 CB VAL A 66 4.381 13.335 1.768 1.00 0.00 C ATOM 903 CG1 VAL A 66 5.567 13.990 2.491 1.00 0.00 C ATOM 904 CG2 VAL A 66 4.241 13.994 0.387 1.00 0.00 C ATOM 0 H VAL A 66 2.653 11.937 0.783 1.00 0.00 H new ATOM 0 HA VAL A 66 5.465 11.614 1.063 1.00 0.00 H new ATOM 0 HB VAL A 66 3.477 13.488 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.400 15.065 2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.661 13.568 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.483 13.803 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.120 15.070 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.135 13.793 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.369 13.586 -0.124 1.00 0.00 H new ATOM 914 N GLN A 67 3.679 10.496 3.506 1.00 0.00 N ATOM 915 CA GLN A 67 3.514 9.820 4.776 1.00 0.00 C ATOM 916 C GLN A 67 4.817 9.386 5.447 1.00 0.00 C ATOM 917 O GLN A 67 5.155 9.849 6.534 1.00 0.00 O ATOM 918 CB GLN A 67 2.581 8.629 4.491 1.00 0.00 C ATOM 919 CG GLN A 67 1.272 8.757 5.259 1.00 0.00 C ATOM 920 CD GLN A 67 1.273 8.218 6.637 1.00 0.00 C ATOM 921 OE1 GLN A 67 2.235 7.672 7.168 1.00 0.00 O ATOM 922 NE2 GLN A 67 0.088 8.364 7.183 1.00 0.00 N ATOM 0 H GLN A 67 2.811 10.460 2.972 1.00 0.00 H new ATOM 0 HA GLN A 67 3.092 10.511 5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.374 8.573 3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.079 7.700 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.001 9.812 5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.490 8.251 4.693 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.657 8.833 6.667 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.088 8.009 8.123 1.00 0.00 H new ATOM 929 N ILE A 68 5.522 8.465 4.800 1.00 0.00 N ATOM 930 CA ILE A 68 6.664 7.773 5.384 1.00 0.00 C ATOM 931 C ILE A 68 7.973 8.540 5.149 1.00 0.00 C ATOM 932 O ILE A 68 8.977 8.263 5.806 1.00 0.00 O ATOM 933 CB ILE A 68 6.659 6.334 4.840 1.00 0.00 C ATOM 934 CG1 ILE A 68 5.520 5.534 5.501 1.00 0.00 C ATOM 935 CG2 ILE A 68 7.994 5.601 4.952 1.00 0.00 C ATOM 936 CD1 ILE A 68 5.815 4.874 6.851 1.00 0.00 C ATOM 0 H ILE A 68 5.314 8.175 3.845 1.00 0.00 H new ATOM 0 HA ILE A 68 6.585 7.726 6.470 1.00 0.00 H new ATOM 0 HB ILE A 68 6.486 6.414 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.670 6.203 5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.208 4.755 4.806 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.892 4.596 4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.756 6.145 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.288 5.539 6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.928 4.346 7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.637 4.167 6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.091 5.639 7.577 1.00 0.00 H new ATOM 947 N ILE A 69 7.994 9.515 4.237 1.00 0.00 N ATOM 948 CA ILE A 69 9.197 10.283 3.948 1.00 0.00 C ATOM 949 C ILE A 69 9.558 11.105 5.189 1.00 0.00 C ATOM 950 O ILE A 69 9.211 12.280 5.303 1.00 0.00 O ATOM 951 CB ILE A 69 9.015 11.136 2.674 1.00 0.00 C ATOM 952 CG1 ILE A 69 8.523 10.260 1.503 1.00 0.00 C ATOM 953 CG2 ILE A 69 10.341 11.820 2.305 1.00 0.00 C ATOM 954 CD1 ILE A 69 8.363 11.036 0.191 1.00 0.00 C ATOM 0 H ILE A 69 7.182 9.789 3.684 1.00 0.00 H new ATOM 0 HA ILE A 69 10.034 9.619 3.731 1.00 0.00 H new ATOM 0 HB ILE A 69 8.265 11.902 2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.227 9.442 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.566 9.812 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.203 12.419 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.659 12.464 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.103 11.062 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.015 10.361 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.637 11.838 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.323 11.462 -0.099 1.00 0.00 H new