USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=21 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 63 TYR OH : rot 180:sc= 0.194 USER MOD Set 1.2: A 67 GLN : amide:sc= 1.27 K(o=1.5,f=-0.21) USER MOD Set 2.1: A 3 ASN : amide:sc= 0.331 K(o=1.6,f=-1.2!) USER MOD Set 2.2: A 43 TYR OH : rot 147:sc= 1.3 USER MOD Set 3.1: A 5 TYR OH : rot 36:sc= 1.74 USER MOD Set 3.2: A 41 SER OG : rot 114:sc= 1.39 USER MOD Set 4.1: A 23 ASN : amide:sc= 0.0172 K(o=1.4,f=0.32) USER MOD Set 4.2: A 34 SER OG : rot 58:sc= 1.42 USER MOD Set 5.1: A 14 SER OG : rot -164:sc= 0.474 USER MOD Set 5.2: A 21 TYR OH : rot -26:sc= 0.58 USER MOD Set 6.1: A 10 SER OG : rot -65:sc= 1.88 USER MOD Set 6.2: A 12 LYS NZ :NH3+ -144:sc= 2.33 (180deg=-0.549!) USER MOD Set 7.1: A 9 SER OG : rot 180:sc= 1.11 USER MOD Set 7.2: A 51 LYS NZ :NH3+ -148:sc= 2.02 (180deg=-0.646) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.227 K(o=0.23,f=-5.6!) USER MOD Single : A 20 ASN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0.0963) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot -38:sc= 1.26 USER MOD Single : A 33 THR OG1 : rot -32:sc= 0.544 USER MOD Single : A 36 TYR OH : rot -37:sc= 1.46 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -149:sc= -1.46! (180deg=-2.78!) USER MOD Single : A 60 THR OG1 : rot -4:sc= 0.792 USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 1.24 (180deg=0.877) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 2 5.506 1.917 -8.632 1.00 0.00 N ATOM 20 CA LYS A 2 5.609 3.073 -7.756 1.00 0.00 C ATOM 21 C LYS A 2 5.228 2.659 -6.333 1.00 0.00 C ATOM 22 O LYS A 2 4.883 1.505 -6.068 1.00 0.00 O ATOM 23 CB LYS A 2 4.717 4.203 -8.293 1.00 0.00 C ATOM 24 CG LYS A 2 3.330 3.667 -8.660 1.00 0.00 C ATOM 25 CD LYS A 2 2.234 4.725 -8.748 1.00 0.00 C ATOM 26 CE LYS A 2 2.651 5.935 -9.596 1.00 0.00 C ATOM 27 NZ LYS A 2 1.591 6.960 -9.639 1.00 0.00 N ATOM 0 HA LYS A 2 6.632 3.448 -7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.623 4.987 -7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.182 4.655 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.397 3.154 -9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.037 2.922 -7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.336 4.278 -9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.976 5.061 -7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.562 6.370 -9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.882 5.607 -10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.907 7.762 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.729 6.551 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.388 7.290 -8.674 1.00 0.00 H new ATOM 37 N ASN A 3 5.236 3.620 -5.410 1.00 0.00 N ATOM 38 CA ASN A 3 4.398 3.519 -4.242 1.00 0.00 C ATOM 39 C ASN A 3 2.958 3.767 -4.656 1.00 0.00 C ATOM 40 O ASN A 3 2.685 4.462 -5.629 1.00 0.00 O ATOM 41 CB ASN A 3 4.872 4.490 -3.171 1.00 0.00 C ATOM 42 CG ASN A 3 4.823 5.960 -3.528 1.00 0.00 C ATOM 43 OD1 ASN A 3 4.737 6.351 -4.689 1.00 0.00 O ATOM 44 ND2 ASN A 3 4.929 6.755 -2.476 1.00 0.00 N ATOM 0 H ASN A 3 5.809 4.462 -5.457 1.00 0.00 H new ATOM 0 HA ASN A 3 4.461 2.521 -3.808 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.268 4.335 -2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.899 4.236 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.943 7.767 -2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.996 6.356 -1.540 1.00 0.00 H new ATOM 50 N GLY A 4 2.041 3.103 -3.977 1.00 0.00 N ATOM 51 CA GLY A 4 0.704 2.880 -4.485 1.00 0.00 C ATOM 52 C GLY A 4 0.011 1.942 -3.518 1.00 0.00 C ATOM 53 O GLY A 4 0.472 1.782 -2.389 1.00 0.00 O ATOM 0 H GLY A 4 2.205 2.702 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.160 3.821 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.739 2.446 -5.484 1.00 0.00 H new ATOM 57 N TYR A 5 -1.071 1.303 -3.959 1.00 0.00 N ATOM 58 CA TYR A 5 -1.762 0.306 -3.161 1.00 0.00 C ATOM 59 C TYR A 5 -1.415 -1.089 -3.636 1.00 0.00 C ATOM 60 O TYR A 5 -1.378 -1.317 -4.839 1.00 0.00 O ATOM 61 CB TYR A 5 -3.280 0.517 -3.268 1.00 0.00 C ATOM 62 CG TYR A 5 -4.015 1.578 -2.471 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.364 2.433 -1.570 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.408 1.693 -2.644 1.00 0.00 C ATOM 65 CE1 TYR A 5 -4.119 3.296 -0.752 1.00 0.00 C ATOM 66 CE2 TYR A 5 -6.146 2.612 -1.888 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.520 3.317 -0.853 1.00 0.00 C ATOM 68 OH TYR A 5 -6.285 3.683 0.213 1.00 0.00 O ATOM 0 H TYR A 5 -1.488 1.464 -4.876 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.447 0.414 -2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.494 0.713 -4.319 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.745 -0.437 -3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.286 2.430 -1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.911 1.067 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.620 3.943 -0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.192 2.776 -2.102 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.832 4.394 0.712 1.00 0.00 H new ATOM 77 N ALA A 6 -1.208 -2.029 -2.709 1.00 0.00 N ATOM 78 CA ALA A 6 -1.001 -3.424 -3.100 1.00 0.00 C ATOM 79 C ALA A 6 -2.320 -4.182 -3.017 1.00 0.00 C ATOM 80 O ALA A 6 -2.986 -4.116 -1.983 1.00 0.00 O ATOM 81 CB ALA A 6 0.019 -4.097 -2.182 1.00 0.00 C ATOM 0 H ALA A 6 -1.180 -1.855 -1.704 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.624 -3.441 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.158 -5.133 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.970 -3.569 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.343 -4.070 -1.154 1.00 0.00 H new ATOM 87 N VAL A 7 -2.681 -4.919 -4.072 1.00 0.00 N ATOM 88 CA VAL A 7 -3.775 -5.883 -4.006 1.00 0.00 C ATOM 89 C VAL A 7 -3.247 -7.311 -4.154 1.00 0.00 C ATOM 90 O VAL A 7 -2.277 -7.526 -4.867 1.00 0.00 O ATOM 91 CB VAL A 7 -4.841 -5.549 -5.060 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.677 -4.368 -4.573 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.245 -5.237 -6.444 1.00 0.00 C ATOM 0 H VAL A 7 -2.227 -4.863 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.249 -5.817 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.464 -6.435 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.435 -4.127 -5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.162 -4.629 -3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.031 -3.503 -4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.049 -5.009 -7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.577 -4.379 -6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.686 -6.101 -6.803 1.00 0.00 H new ATOM 103 N ASP A 8 -3.916 -8.266 -3.494 1.00 0.00 N ATOM 104 CA ASP A 8 -3.745 -9.720 -3.554 1.00 0.00 C ATOM 105 C ASP A 8 -2.920 -10.180 -4.762 1.00 0.00 C ATOM 106 O ASP A 8 -1.752 -10.567 -4.669 1.00 0.00 O ATOM 107 CB ASP A 8 -5.176 -10.303 -3.570 1.00 0.00 C ATOM 108 CG ASP A 8 -5.296 -11.805 -3.759 1.00 0.00 C ATOM 109 OD1 ASP A 8 -5.187 -12.240 -4.924 1.00 0.00 O ATOM 110 OD2 ASP A 8 -5.725 -12.477 -2.799 1.00 0.00 O ATOM 0 H ASP A 8 -4.660 -8.014 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.174 -10.077 -2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.662 -10.038 -2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.734 -9.813 -4.368 1.00 0.00 H new ATOM 114 N SER A 9 -3.607 -10.159 -5.900 1.00 0.00 N ATOM 115 CA SER A 9 -3.331 -10.767 -7.182 1.00 0.00 C ATOM 116 C SER A 9 -4.659 -10.718 -7.951 1.00 0.00 C ATOM 117 O SER A 9 -4.709 -10.324 -9.111 1.00 0.00 O ATOM 118 CB SER A 9 -2.869 -12.215 -6.987 1.00 0.00 C ATOM 119 OG SER A 9 -1.691 -12.448 -7.741 1.00 0.00 O ATOM 0 H SER A 9 -4.486 -9.644 -5.940 1.00 0.00 H new ATOM 0 HA SER A 9 -2.538 -10.249 -7.722 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.680 -12.407 -5.931 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.655 -12.903 -7.300 1.00 0.00 H new ATOM 0 HG SER A 9 -1.398 -13.374 -7.612 1.00 0.00 H new ATOM 124 N SER A 10 -5.744 -11.070 -7.250 1.00 0.00 N ATOM 125 CA SER A 10 -7.130 -10.976 -7.684 1.00 0.00 C ATOM 126 C SER A 10 -7.766 -9.671 -7.183 1.00 0.00 C ATOM 127 O SER A 10 -8.987 -9.540 -7.145 1.00 0.00 O ATOM 128 CB SER A 10 -7.879 -12.233 -7.212 1.00 0.00 C ATOM 129 OG SER A 10 -7.627 -12.527 -5.844 1.00 0.00 O ATOM 0 H SER A 10 -5.665 -11.451 -6.307 1.00 0.00 H new ATOM 0 HA SER A 10 -7.190 -10.938 -8.772 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.950 -12.093 -7.360 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.581 -13.083 -7.825 1.00 0.00 H new ATOM 0 HG SER A 10 -6.680 -12.752 -5.727 1.00 0.00 H new ATOM 134 N GLY A 11 -6.933 -8.692 -6.816 1.00 0.00 N ATOM 135 CA GLY A 11 -7.318 -7.301 -6.679 1.00 0.00 C ATOM 136 C GLY A 11 -8.082 -6.979 -5.392 1.00 0.00 C ATOM 137 O GLY A 11 -8.967 -6.129 -5.402 1.00 0.00 O ATOM 0 H GLY A 11 -5.950 -8.859 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.421 -6.683 -6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.935 -7.022 -7.533 1.00 0.00 H new ATOM 141 N LYS A 12 -7.732 -7.639 -4.285 1.00 0.00 N ATOM 142 CA LYS A 12 -8.290 -7.363 -2.964 1.00 0.00 C ATOM 143 C LYS A 12 -7.192 -6.749 -2.096 1.00 0.00 C ATOM 144 O LYS A 12 -6.102 -7.312 -2.010 1.00 0.00 O ATOM 145 CB LYS A 12 -8.836 -8.647 -2.321 1.00 0.00 C ATOM 146 CG LYS A 12 -9.815 -9.394 -3.242 1.00 0.00 C ATOM 147 CD LYS A 12 -9.163 -10.642 -3.855 1.00 0.00 C ATOM 148 CE LYS A 12 -9.181 -11.821 -2.867 1.00 0.00 C ATOM 149 NZ LYS A 12 -8.286 -12.915 -3.293 1.00 0.00 N ATOM 0 H LYS A 12 -7.043 -8.391 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.123 -6.666 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.005 -9.305 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.339 -8.397 -1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.700 -9.684 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.149 -8.728 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.691 -10.920 -4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.135 -10.417 -4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.880 -11.471 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.199 -12.201 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.714 -13.830 -3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.144 -12.867 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.369 -12.820 -2.812 1.00 0.00 H new ATOM 159 N VAL A 13 -7.449 -5.591 -1.484 1.00 0.00 N ATOM 160 CA VAL A 13 -6.491 -4.962 -0.584 1.00 0.00 C ATOM 161 C VAL A 13 -6.422 -5.760 0.720 1.00 0.00 C ATOM 162 O VAL A 13 -7.409 -6.377 1.121 1.00 0.00 O ATOM 163 CB VAL A 13 -6.855 -3.482 -0.336 1.00 0.00 C ATOM 164 CG1 VAL A 13 -6.842 -2.695 -1.654 1.00 0.00 C ATOM 165 CG2 VAL A 13 -8.211 -3.298 0.360 1.00 0.00 C ATOM 0 H VAL A 13 -8.319 -5.071 -1.599 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.503 -4.968 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.093 -3.093 0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.101 -1.654 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.848 -2.745 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.568 -3.127 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.405 -2.235 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.998 -3.730 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.194 -3.798 1.328 1.00 0.00 H new ATOM 175 N SER A 14 -5.274 -5.736 1.403 1.00 0.00 N ATOM 176 CA SER A 14 -5.218 -6.226 2.773 1.00 0.00 C ATOM 177 C SER A 14 -6.035 -5.276 3.650 1.00 0.00 C ATOM 178 O SER A 14 -5.911 -4.063 3.500 1.00 0.00 O ATOM 179 CB SER A 14 -3.766 -6.326 3.258 1.00 0.00 C ATOM 180 OG SER A 14 -3.717 -6.933 4.539 1.00 0.00 O ATOM 0 H SER A 14 -4.389 -5.388 1.034 1.00 0.00 H new ATOM 0 HA SER A 14 -5.639 -7.230 2.831 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.178 -6.908 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.320 -5.332 3.301 1.00 0.00 H new ATOM 0 HG SER A 14 -2.842 -6.765 4.947 1.00 0.00 H new ATOM 185 N GLU A 15 -6.824 -5.842 4.570 1.00 0.00 N ATOM 186 CA GLU A 15 -7.587 -5.139 5.588 1.00 0.00 C ATOM 187 C GLU A 15 -6.712 -4.080 6.265 1.00 0.00 C ATOM 188 O GLU A 15 -6.957 -2.887 6.142 1.00 0.00 O ATOM 189 CB GLU A 15 -8.074 -6.204 6.583 1.00 0.00 C ATOM 190 CG GLU A 15 -8.869 -5.621 7.751 1.00 0.00 C ATOM 191 CD GLU A 15 -9.044 -6.657 8.851 1.00 0.00 C ATOM 192 OE1 GLU A 15 -7.996 -7.068 9.394 1.00 0.00 O ATOM 193 OE2 GLU A 15 -10.209 -7.030 9.109 1.00 0.00 O ATOM 0 H GLU A 15 -6.949 -6.853 4.621 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.439 -4.609 5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.695 -6.928 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.213 -6.747 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.354 -4.746 8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.845 -5.285 7.402 1.00 0.00 H new ATOM 198 N CYS A 16 -5.683 -4.574 6.958 1.00 0.00 N ATOM 199 CA CYS A 16 -4.698 -3.821 7.722 1.00 0.00 C ATOM 200 C CYS A 16 -5.274 -3.271 9.026 1.00 0.00 C ATOM 201 O CYS A 16 -5.945 -2.248 9.075 1.00 0.00 O ATOM 202 CB CYS A 16 -3.893 -2.821 6.873 1.00 0.00 C ATOM 203 SG CYS A 16 -4.493 -1.122 6.688 1.00 0.00 S ATOM 0 H CYS A 16 -5.509 -5.578 7.000 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.935 -4.530 8.043 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.889 -2.769 7.294 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.797 -3.244 5.873 1.00 0.00 H new ATOM 207 N LEU A 17 -4.982 -3.975 10.122 1.00 0.00 N ATOM 208 CA LEU A 17 -5.309 -3.496 11.455 1.00 0.00 C ATOM 209 C LEU A 17 -4.425 -2.298 11.810 1.00 0.00 C ATOM 210 O LEU A 17 -4.869 -1.396 12.516 1.00 0.00 O ATOM 211 CB LEU A 17 -5.142 -4.627 12.478 1.00 0.00 C ATOM 212 CG LEU A 17 -6.033 -5.853 12.204 1.00 0.00 C ATOM 213 CD1 LEU A 17 -5.753 -6.921 13.265 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.526 -5.500 12.228 1.00 0.00 C ATOM 0 H LEU A 17 -4.517 -4.883 10.106 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.349 -3.172 11.476 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.099 -4.943 12.488 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.368 -4.241 13.472 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.795 -6.223 11.207 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.380 -7.793 13.078 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.704 -7.212 13.220 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.976 -6.519 14.253 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.115 -6.396 12.030 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.790 -5.102 13.208 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.735 -4.752 11.464 1.00 0.00 H new ATOM 225 N LEU A 18 -3.161 -2.297 11.362 1.00 0.00 N ATOM 226 CA LEU A 18 -2.187 -1.301 11.770 1.00 0.00 C ATOM 227 C LEU A 18 -1.028 -1.209 10.774 1.00 0.00 C ATOM 228 O LEU A 18 -0.784 -2.117 9.976 1.00 0.00 O ATOM 229 CB LEU A 18 -1.712 -1.613 13.197 1.00 0.00 C ATOM 230 CG LEU A 18 -1.226 -3.065 13.370 1.00 0.00 C ATOM 231 CD1 LEU A 18 0.292 -3.076 13.506 1.00 0.00 C ATOM 232 CD2 LEU A 18 -1.879 -3.722 14.586 1.00 0.00 C ATOM 0 H LEU A 18 -2.796 -2.990 10.708 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.656 -0.317 11.773 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.903 -0.932 13.461 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.528 -1.424 13.894 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.515 -3.640 12.490 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.639 -4.102 13.629 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.741 -2.646 12.611 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.584 -2.488 14.376 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.518 -4.746 14.684 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.624 -3.160 15.484 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.961 -3.730 14.458 1.00 0.00 H new ATOM 243 N ASN A 19 -0.312 -0.084 10.833 1.00 0.00 N ATOM 244 CA ASN A 19 0.693 0.302 9.855 1.00 0.00 C ATOM 245 C ASN A 19 1.850 -0.688 9.806 1.00 0.00 C ATOM 246 O ASN A 19 2.265 -1.096 8.723 1.00 0.00 O ATOM 247 CB ASN A 19 1.204 1.713 10.174 1.00 0.00 C ATOM 248 CG ASN A 19 0.175 2.795 9.888 1.00 0.00 C ATOM 249 OD1 ASN A 19 -0.884 2.531 9.328 1.00 0.00 O ATOM 250 ND2 ASN A 19 0.494 4.032 10.246 1.00 0.00 N ATOM 0 H ASN A 19 -0.422 0.598 11.584 1.00 0.00 H new ATOM 0 HA ASN A 19 0.227 0.297 8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.491 1.761 11.224 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.102 1.909 9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.150 4.800 10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.384 4.215 10.710 1.00 0.00 H new ATOM 256 N ASN A 20 2.378 -1.074 10.971 1.00 0.00 N ATOM 257 CA ASN A 20 3.486 -2.021 11.035 1.00 0.00 C ATOM 258 C ASN A 20 3.130 -3.314 10.306 1.00 0.00 C ATOM 259 O ASN A 20 3.913 -3.785 9.485 1.00 0.00 O ATOM 260 CB ASN A 20 3.893 -2.301 12.484 1.00 0.00 C ATOM 261 CG ASN A 20 5.005 -3.349 12.529 1.00 0.00 C ATOM 262 OD1 ASN A 20 6.171 -3.029 12.339 1.00 0.00 O ATOM 263 ND2 ASN A 20 4.656 -4.611 12.767 1.00 0.00 N ATOM 0 H ASN A 20 2.054 -0.744 11.880 1.00 0.00 H new ATOM 0 HA ASN A 20 4.343 -1.572 10.534 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.232 -1.380 12.958 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.030 -2.652 13.050 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.368 -5.341 12.795 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.676 -4.849 12.922 1.00 0.00 H new ATOM 269 N TYR A 21 1.943 -3.868 10.585 1.00 0.00 N ATOM 270 CA TYR A 21 1.438 -5.035 9.880 1.00 0.00 C ATOM 271 C TYR A 21 1.477 -4.766 8.378 1.00 0.00 C ATOM 272 O TYR A 21 2.061 -5.551 7.637 1.00 0.00 O ATOM 273 CB TYR A 21 0.024 -5.404 10.370 1.00 0.00 C ATOM 274 CG TYR A 21 -0.780 -6.272 9.415 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.526 -5.664 8.388 1.00 0.00 C ATOM 276 CD2 TYR A 21 -0.730 -7.677 9.494 1.00 0.00 C ATOM 277 CE1 TYR A 21 -2.131 -6.445 7.391 1.00 0.00 C ATOM 278 CE2 TYR A 21 -1.409 -8.461 8.542 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.085 -7.846 7.472 1.00 0.00 C ATOM 280 OH TYR A 21 -2.606 -8.607 6.469 1.00 0.00 O ATOM 0 H TYR A 21 1.313 -3.515 11.305 1.00 0.00 H new ATOM 0 HA TYR A 21 2.072 -5.896 10.091 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.110 -5.924 11.324 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.531 -4.485 10.557 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.634 -4.590 8.367 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.170 -8.153 10.285 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.632 -5.968 6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.411 -9.537 8.633 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.307 -8.102 6.006 1.00 0.00 H new ATOM 289 N CYS A 22 0.872 -3.658 7.936 1.00 0.00 N ATOM 290 CA CYS A 22 0.812 -3.344 6.513 1.00 0.00 C ATOM 291 C CYS A 22 2.207 -3.375 5.892 1.00 0.00 C ATOM 292 O CYS A 22 2.455 -4.135 4.964 1.00 0.00 O ATOM 293 CB CYS A 22 0.214 -1.958 6.270 1.00 0.00 C ATOM 294 SG CYS A 22 0.007 -1.644 4.508 1.00 0.00 S ATOM 0 H CYS A 22 0.422 -2.972 8.541 1.00 0.00 H new ATOM 0 HA CYS A 22 0.177 -4.100 6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.750 -1.881 6.773 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.862 -1.197 6.705 1.00 0.00 H new ATOM 298 N ASN A 23 3.120 -2.561 6.421 1.00 0.00 N ATOM 299 CA ASN A 23 4.496 -2.461 5.999 1.00 0.00 C ATOM 300 C ASN A 23 5.158 -3.834 5.924 1.00 0.00 C ATOM 301 O ASN A 23 5.666 -4.217 4.871 1.00 0.00 O ATOM 302 CB ASN A 23 5.180 -1.592 7.064 1.00 0.00 C ATOM 303 CG ASN A 23 6.388 -0.877 6.524 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.453 -1.459 6.360 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.208 0.408 6.248 1.00 0.00 N ATOM 0 H ASN A 23 2.899 -1.929 7.190 1.00 0.00 H new ATOM 0 HA ASN A 23 4.575 -2.032 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.468 -0.861 7.446 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.477 -2.218 7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.980 0.963 5.879 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.298 0.841 6.405 1.00 0.00 H new ATOM 311 N ASN A 24 5.137 -4.578 7.035 1.00 0.00 N ATOM 312 CA ASN A 24 5.734 -5.883 7.153 1.00 0.00 C ATOM 313 C ASN A 24 5.274 -6.808 6.035 1.00 0.00 C ATOM 314 O ASN A 24 6.092 -7.355 5.302 1.00 0.00 O ATOM 315 CB ASN A 24 5.363 -6.455 8.521 1.00 0.00 C ATOM 316 CG ASN A 24 6.381 -7.502 8.897 1.00 0.00 C ATOM 317 OD1 ASN A 24 6.153 -8.700 8.782 1.00 0.00 O ATOM 318 ND2 ASN A 24 7.535 -7.015 9.330 1.00 0.00 N ATOM 0 H ASN A 24 4.686 -4.266 7.895 1.00 0.00 H new ATOM 0 HA ASN A 24 6.817 -5.798 7.064 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.341 -5.663 9.269 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.365 -6.892 8.490 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.291 -7.649 9.588 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.667 -6.006 9.405 1.00 0.00 H new ATOM 324 N ILE A 25 3.960 -6.955 5.879 1.00 0.00 N ATOM 325 CA ILE A 25 3.356 -7.756 4.831 1.00 0.00 C ATOM 326 C ILE A 25 3.869 -7.284 3.481 1.00 0.00 C ATOM 327 O ILE A 25 4.231 -8.093 2.628 1.00 0.00 O ATOM 328 CB ILE A 25 1.827 -7.604 4.928 1.00 0.00 C ATOM 329 CG1 ILE A 25 1.328 -8.212 6.242 1.00 0.00 C ATOM 330 CG2 ILE A 25 1.094 -8.198 3.721 1.00 0.00 C ATOM 331 CD1 ILE A 25 1.189 -9.738 6.242 1.00 0.00 C ATOM 0 H ILE A 25 3.277 -6.510 6.492 1.00 0.00 H new ATOM 0 HA ILE A 25 3.618 -8.808 4.944 1.00 0.00 H new ATOM 0 HB ILE A 25 1.599 -6.538 4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.013 -7.925 7.040 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.359 -7.775 6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.020 -8.062 3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.422 -7.694 2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.319 -9.262 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.830 -10.071 7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.479 -10.039 5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.159 -10.192 6.039 1.00 0.00 H new ATOM 342 N CYS A 26 3.878 -5.968 3.285 1.00 0.00 N ATOM 343 CA CYS A 26 4.143 -5.408 1.970 1.00 0.00 C ATOM 344 C CYS A 26 5.568 -5.649 1.496 1.00 0.00 C ATOM 345 O CYS A 26 5.781 -5.991 0.334 1.00 0.00 O ATOM 346 CB CYS A 26 3.570 -4.000 1.758 1.00 0.00 C ATOM 347 SG CYS A 26 2.584 -4.030 0.247 1.00 0.00 S ATOM 0 H CYS A 26 3.706 -5.277 4.016 1.00 0.00 H new ATOM 0 HA CYS A 26 3.550 -5.989 1.263 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.956 -3.705 2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.374 -3.268 1.676 1.00 0.00 H new ATOM 351 N THR A 27 6.539 -5.577 2.403 1.00 0.00 N ATOM 352 CA THR A 27 7.881 -6.064 2.088 1.00 0.00 C ATOM 353 C THR A 27 7.917 -7.596 1.985 1.00 0.00 C ATOM 354 O THR A 27 8.657 -8.127 1.160 1.00 0.00 O ATOM 355 CB THR A 27 8.950 -5.501 3.038 1.00 0.00 C ATOM 356 OG1 THR A 27 10.244 -5.874 2.601 1.00 0.00 O ATOM 357 CG2 THR A 27 8.773 -5.945 4.487 1.00 0.00 C ATOM 0 H THR A 27 6.428 -5.195 3.342 1.00 0.00 H new ATOM 0 HA THR A 27 8.137 -5.680 1.101 1.00 0.00 H new ATOM 0 HB THR A 27 8.830 -4.418 3.011 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.915 -5.507 3.214 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.562 -5.510 5.100 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.803 -5.611 4.854 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.827 -7.032 4.544 1.00 0.00 H new ATOM 365 N LYS A 28 7.180 -8.327 2.828 1.00 0.00 N ATOM 366 CA LYS A 28 7.310 -9.771 2.931 1.00 0.00 C ATOM 367 C LYS A 28 6.858 -10.452 1.638 1.00 0.00 C ATOM 368 O LYS A 28 7.456 -11.449 1.221 1.00 0.00 O ATOM 369 CB LYS A 28 6.528 -10.271 4.164 1.00 0.00 C ATOM 370 CG LYS A 28 6.882 -11.706 4.576 1.00 0.00 C ATOM 371 CD LYS A 28 6.042 -12.742 3.810 1.00 0.00 C ATOM 372 CE LYS A 28 6.826 -14.007 3.431 1.00 0.00 C ATOM 373 NZ LYS A 28 7.941 -13.719 2.501 1.00 0.00 N ATOM 0 H LYS A 28 6.480 -7.928 3.454 1.00 0.00 H new ATOM 0 HA LYS A 28 8.359 -10.035 3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.723 -9.603 5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.460 -10.215 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.941 -11.887 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.721 -11.827 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.184 -13.025 4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.650 -12.281 2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.220 -14.472 4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.149 -14.727 2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.176 -14.578 1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.658 -12.966 1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.774 -13.410 3.042 1.00 0.00 H new ATOM 383 N VAL A 29 5.758 -9.978 1.054 1.00 0.00 N ATOM 384 CA VAL A 29 5.120 -10.535 -0.101 1.00 0.00 C ATOM 385 C VAL A 29 5.574 -9.744 -1.327 1.00 0.00 C ATOM 386 O VAL A 29 6.200 -10.305 -2.220 1.00 0.00 O ATOM 387 CB VAL A 29 3.610 -10.455 0.171 1.00 0.00 C ATOM 388 CG1 VAL A 29 2.835 -10.778 -1.091 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.189 -11.410 1.296 1.00 0.00 C ATOM 0 H VAL A 29 5.276 -9.151 1.405 1.00 0.00 H new ATOM 0 HA VAL A 29 5.381 -11.575 -0.297 1.00 0.00 H new ATOM 0 HB VAL A 29 3.384 -9.437 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.766 -10.718 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.096 -10.063 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.085 -11.785 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.115 -11.327 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.435 -12.434 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.718 -11.149 2.212 1.00 0.00 H new ATOM 399 N TYR A 30 5.247 -8.449 -1.367 1.00 0.00 N ATOM 400 CA TYR A 30 5.314 -7.647 -2.568 1.00 0.00 C ATOM 401 C TYR A 30 6.680 -6.967 -2.756 1.00 0.00 C ATOM 402 O TYR A 30 6.908 -6.292 -3.766 1.00 0.00 O ATOM 403 CB TYR A 30 4.176 -6.623 -2.503 1.00 0.00 C ATOM 404 CG TYR A 30 2.772 -7.189 -2.349 1.00 0.00 C ATOM 405 CD1 TYR A 30 1.987 -7.500 -3.475 1.00 0.00 C ATOM 406 CD2 TYR A 30 2.228 -7.364 -1.065 1.00 0.00 C ATOM 407 CE1 TYR A 30 0.664 -7.949 -3.306 1.00 0.00 C ATOM 408 CE2 TYR A 30 0.907 -7.805 -0.895 1.00 0.00 C ATOM 409 CZ TYR A 30 0.119 -8.087 -2.020 1.00 0.00 C ATOM 410 OH TYR A 30 -1.169 -8.499 -1.865 1.00 0.00 O ATOM 0 H TYR A 30 4.925 -7.932 -0.549 1.00 0.00 H new ATOM 0 HA TYR A 30 5.199 -8.292 -3.439 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.368 -5.950 -1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.205 -6.020 -3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.399 -7.394 -4.468 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.836 -7.156 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.064 -8.189 -4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.499 -7.927 0.098 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.386 -8.542 -0.910 1.00 0.00 H new ATOM 419 N TYR A 31 7.575 -7.108 -1.770 1.00 0.00 N ATOM 420 CA TYR A 31 8.864 -6.427 -1.710 1.00 0.00 C ATOM 421 C TYR A 31 8.719 -4.917 -1.884 1.00 0.00 C ATOM 422 O TYR A 31 9.576 -4.254 -2.458 1.00 0.00 O ATOM 423 CB TYR A 31 9.908 -7.105 -2.579 1.00 0.00 C ATOM 424 CG TYR A 31 10.251 -8.497 -2.089 1.00 0.00 C ATOM 425 CD1 TYR A 31 9.380 -9.560 -2.390 1.00 0.00 C ATOM 426 CD2 TYR A 31 11.214 -8.650 -1.073 1.00 0.00 C ATOM 427 CE1 TYR A 31 9.359 -10.698 -1.568 1.00 0.00 C ATOM 428 CE2 TYR A 31 11.224 -9.812 -0.283 1.00 0.00 C ATOM 429 CZ TYR A 31 10.247 -10.798 -0.487 1.00 0.00 C ATOM 430 OH TYR A 31 10.025 -11.744 0.465 1.00 0.00 O ATOM 0 H TYR A 31 7.412 -7.719 -0.970 1.00 0.00 H new ATOM 0 HA TYR A 31 9.267 -6.532 -0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.541 -7.163 -3.604 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.812 -6.496 -2.598 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.730 -9.501 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.945 -7.874 -0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.659 -11.496 -1.768 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.980 -9.945 0.477 1.00 0.00 H new ATOM 0 HH TYR A 31 9.062 -11.823 0.629 1.00 0.00 H new ATOM 439 N ALA A 32 7.641 -4.368 -1.317 1.00 0.00 N ATOM 440 CA ALA A 32 7.499 -2.936 -1.163 1.00 0.00 C ATOM 441 C ALA A 32 8.419 -2.480 -0.031 1.00 0.00 C ATOM 442 O ALA A 32 8.515 -3.158 0.986 1.00 0.00 O ATOM 443 CB ALA A 32 6.047 -2.636 -0.815 1.00 0.00 C ATOM 0 H ALA A 32 6.853 -4.907 -0.958 1.00 0.00 H new ATOM 0 HA ALA A 32 7.768 -2.411 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.917 -1.561 -0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.400 -2.992 -1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.784 -3.140 0.115 1.00 0.00 H new ATOM 449 N THR A 33 9.073 -1.327 -0.166 1.00 0.00 N ATOM 450 CA THR A 33 10.020 -0.848 0.837 1.00 0.00 C ATOM 451 C THR A 33 9.327 -0.274 2.081 1.00 0.00 C ATOM 452 O THR A 33 10.007 0.112 3.034 1.00 0.00 O ATOM 453 CB THR A 33 11.022 0.141 0.219 1.00 0.00 C ATOM 454 OG1 THR A 33 12.039 0.442 1.154 1.00 0.00 O ATOM 455 CG2 THR A 33 10.385 1.450 -0.252 1.00 0.00 C ATOM 0 H THR A 33 8.962 -0.704 -0.966 1.00 0.00 H new ATOM 0 HA THR A 33 10.583 -1.713 1.187 1.00 0.00 H new ATOM 0 HB THR A 33 11.429 -0.355 -0.662 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.670 0.408 2.061 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.153 2.097 -0.676 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.632 1.236 -1.010 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.915 1.951 0.594 1.00 0.00 H new ATOM 463 N SER A 34 7.997 -0.166 2.069 1.00 0.00 N ATOM 464 CA SER A 34 7.184 0.252 3.200 1.00 0.00 C ATOM 465 C SER A 34 5.709 0.102 2.828 1.00 0.00 C ATOM 466 O SER A 34 5.410 -0.543 1.827 1.00 0.00 O ATOM 467 CB SER A 34 7.571 1.673 3.659 1.00 0.00 C ATOM 468 OG SER A 34 8.439 1.544 4.766 1.00 0.00 O ATOM 0 H SER A 34 7.442 -0.376 1.239 1.00 0.00 H new ATOM 0 HA SER A 34 7.369 -0.387 4.063 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.060 2.216 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.683 2.242 3.934 1.00 0.00 H new ATOM 0 HG SER A 34 9.225 1.020 4.506 1.00 0.00 H new ATOM 473 N GLY A 35 4.807 0.704 3.607 1.00 0.00 N ATOM 474 CA GLY A 35 3.364 0.670 3.466 1.00 0.00 C ATOM 475 C GLY A 35 2.761 1.024 4.816 1.00 0.00 C ATOM 476 O GLY A 35 3.494 1.111 5.807 1.00 0.00 O ATOM 0 H GLY A 35 5.095 1.266 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.037 1.377 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.034 -0.318 3.147 1.00 0.00 H new ATOM 480 N TYR A 36 1.448 1.261 4.832 1.00 0.00 N ATOM 481 CA TYR A 36 0.679 1.657 6.002 1.00 0.00 C ATOM 482 C TYR A 36 -0.798 1.713 5.637 1.00 0.00 C ATOM 483 O TYR A 36 -1.158 1.667 4.457 1.00 0.00 O ATOM 484 CB TYR A 36 1.183 2.993 6.579 1.00 0.00 C ATOM 485 CG TYR A 36 1.396 4.113 5.582 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.348 4.573 4.761 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.645 4.752 5.534 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.607 5.524 3.761 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.860 5.776 4.606 1.00 0.00 C ATOM 490 CZ TYR A 36 1.883 6.091 3.661 1.00 0.00 C ATOM 491 OH TYR A 36 2.213 6.940 2.653 1.00 0.00 O ATOM 0 H TYR A 36 0.873 1.178 3.994 1.00 0.00 H new ATOM 0 HA TYR A 36 0.813 0.914 6.788 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.469 3.333 7.329 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.125 2.810 7.095 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.654 4.195 4.901 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.434 4.455 6.209 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.173 5.816 3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.789 6.327 4.621 1.00 0.00 H new ATOM 0 HH TYR A 36 1.780 6.647 1.824 1.00 0.00 H new ATOM 500 N CYS A 37 -1.639 1.843 6.663 1.00 0.00 N ATOM 501 CA CYS A 37 -3.077 1.953 6.506 1.00 0.00 C ATOM 502 C CYS A 37 -3.423 3.354 6.019 1.00 0.00 C ATOM 503 O CYS A 37 -3.680 4.261 6.809 1.00 0.00 O ATOM 504 CB CYS A 37 -3.797 1.626 7.821 1.00 0.00 C ATOM 505 SG CYS A 37 -3.736 -0.104 8.346 1.00 0.00 S ATOM 0 H CYS A 37 -1.331 1.875 7.635 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.415 1.229 5.765 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.366 2.241 8.611 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.842 1.919 7.723 1.00 0.00 H new ATOM 509 N CYS A 38 -3.453 3.521 4.699 1.00 0.00 N ATOM 510 CA CYS A 38 -4.144 4.636 4.077 1.00 0.00 C ATOM 511 C CYS A 38 -5.641 4.515 4.377 1.00 0.00 C ATOM 512 O CYS A 38 -6.101 3.437 4.756 1.00 0.00 O ATOM 513 CB CYS A 38 -3.887 4.604 2.570 1.00 0.00 C ATOM 514 SG CYS A 38 -4.600 5.985 1.649 1.00 0.00 S ATOM 0 H CYS A 38 -3.001 2.889 4.038 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.780 5.584 4.472 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.810 4.590 2.400 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.286 3.673 2.168 1.00 0.00 H new ATOM 518 N LEU A 39 -6.391 5.609 4.195 1.00 0.00 N ATOM 519 CA LEU A 39 -7.803 5.804 4.474 1.00 0.00 C ATOM 520 C LEU A 39 -8.666 4.541 4.526 1.00 0.00 C ATOM 521 O LEU A 39 -9.474 4.408 5.442 1.00 0.00 O ATOM 522 CB LEU A 39 -8.336 6.846 3.475 1.00 0.00 C ATOM 523 CG LEU A 39 -8.165 8.259 4.051 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.186 9.294 2.928 1.00 0.00 C ATOM 525 CD2 LEU A 39 -9.279 8.600 5.052 1.00 0.00 C ATOM 0 H LEU A 39 -5.975 6.457 3.811 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.882 6.163 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.801 6.762 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.388 6.655 3.264 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.206 8.282 4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.064 10.291 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.372 9.092 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.137 9.238 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.125 9.607 5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.246 8.547 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.258 7.888 5.877 1.00 0.00 H new ATOM 536 N LEU A 40 -8.531 3.632 3.560 1.00 0.00 N ATOM 537 CA LEU A 40 -9.219 2.350 3.610 1.00 0.00 C ATOM 538 C LEU A 40 -8.415 1.254 2.904 1.00 0.00 C ATOM 539 O LEU A 40 -9.003 0.365 2.287 1.00 0.00 O ATOM 540 CB LEU A 40 -10.658 2.520 3.079 1.00 0.00 C ATOM 541 CG LEU A 40 -10.814 3.243 1.735 1.00 0.00 C ATOM 542 CD1 LEU A 40 -10.989 2.283 0.556 1.00 0.00 C ATOM 543 CD2 LEU A 40 -11.991 4.223 1.783 1.00 0.00 C ATOM 0 H LEU A 40 -7.949 3.764 2.733 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.299 2.011 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.106 1.531 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.235 3.064 3.827 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.885 3.789 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.094 2.855 -0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.117 1.634 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.881 1.676 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.085 4.726 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.910 3.678 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.816 4.963 2.564 1.00 0.00 H new ATOM 554 N SER A 41 -7.074 1.304 2.937 1.00 0.00 N ATOM 555 CA SER A 41 -6.259 0.302 2.247 1.00 0.00 C ATOM 556 C SER A 41 -4.791 0.334 2.672 1.00 0.00 C ATOM 557 O SER A 41 -4.323 1.311 3.251 1.00 0.00 O ATOM 558 CB SER A 41 -6.307 0.489 0.721 1.00 0.00 C ATOM 559 OG SER A 41 -7.463 1.179 0.277 1.00 0.00 O ATOM 0 H SER A 41 -6.540 2.020 3.429 1.00 0.00 H new ATOM 0 HA SER A 41 -6.692 -0.658 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.420 1.036 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.269 -0.489 0.241 1.00 0.00 H new ATOM 0 HG SER A 41 -7.202 2.042 -0.108 1.00 0.00 H new ATOM 564 N CYS A 42 -4.047 -0.702 2.276 1.00 0.00 N ATOM 565 CA CYS A 42 -2.598 -0.761 2.383 1.00 0.00 C ATOM 566 C CYS A 42 -1.945 -0.006 1.231 1.00 0.00 C ATOM 567 O CYS A 42 -1.801 -0.525 0.113 1.00 0.00 O ATOM 568 CB CYS A 42 -2.136 -2.228 2.401 1.00 0.00 C ATOM 569 SG CYS A 42 -1.582 -2.878 3.991 1.00 0.00 S ATOM 0 H CYS A 42 -4.452 -1.542 1.862 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.293 -0.285 3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.959 -2.849 2.046 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.322 -2.338 1.685 1.00 0.00 H new ATOM 573 N TYR A 43 -1.480 1.200 1.568 1.00 0.00 N ATOM 574 CA TYR A 43 -0.355 1.791 0.878 1.00 0.00 C ATOM 575 C TYR A 43 0.824 0.875 1.052 1.00 0.00 C ATOM 576 O TYR A 43 0.937 0.208 2.080 1.00 0.00 O ATOM 577 CB TYR A 43 0.047 3.116 1.515 1.00 0.00 C ATOM 578 CG TYR A 43 0.519 4.182 0.521 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.255 4.534 -0.603 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.833 4.682 0.612 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.299 5.324 -1.630 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.311 5.628 -0.315 1.00 0.00 C ATOM 583 CZ TYR A 43 1.532 5.964 -1.437 1.00 0.00 C ATOM 584 OH TYR A 43 1.964 6.847 -2.384 1.00 0.00 O ATOM 0 H TYR A 43 -1.871 1.776 2.313 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.634 1.944 -0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.803 3.509 2.073 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.844 2.931 2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.278 4.196 -0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.482 4.335 1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.226 5.437 -2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.273 6.094 -0.165 1.00 0.00 H new ATOM 0 HH TYR A 43 2.471 7.567 -1.953 1.00 0.00 H new ATOM 593 N CYS A 44 1.710 0.910 0.073 1.00 0.00 N ATOM 594 CA CYS A 44 2.813 0.030 -0.087 1.00 0.00 C ATOM 595 C CYS A 44 3.780 0.823 -0.968 1.00 0.00 C ATOM 596 O CYS A 44 3.332 1.445 -1.930 1.00 0.00 O ATOM 597 CB CYS A 44 2.213 -1.196 -0.733 1.00 0.00 C ATOM 598 SG CYS A 44 1.403 -2.352 0.385 1.00 0.00 S ATOM 0 H CYS A 44 1.659 1.606 -0.671 1.00 0.00 H new ATOM 0 HA CYS A 44 3.354 -0.295 0.802 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.487 -0.872 -1.479 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.003 -1.727 -1.265 1.00 0.00 H new ATOM 602 N PHE A 45 5.065 0.905 -0.610 1.00 0.00 N ATOM 603 CA PHE A 45 6.021 1.802 -1.250 1.00 0.00 C ATOM 604 C PHE A 45 6.894 1.073 -2.261 1.00 0.00 C ATOM 605 O PHE A 45 7.527 0.088 -1.900 1.00 0.00 O ATOM 606 CB PHE A 45 6.910 2.513 -0.227 1.00 0.00 C ATOM 607 CG PHE A 45 6.265 3.690 0.476 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.365 3.448 1.522 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.604 5.017 0.143 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.911 4.508 2.317 1.00 0.00 C ATOM 611 CE2 PHE A 45 6.052 6.090 0.870 1.00 0.00 C ATOM 612 CZ PHE A 45 5.214 5.837 1.970 1.00 0.00 C ATOM 0 H PHE A 45 5.470 0.344 0.139 1.00 0.00 H new ATOM 0 HA PHE A 45 5.428 2.550 -1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.224 1.788 0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.812 2.860 -0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.021 2.443 1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.288 5.211 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.325 4.304 3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.273 7.107 0.582 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.806 6.656 2.544 1.00 0.00 H new ATOM 621 N GLY A 46 6.987 1.597 -3.487 1.00 0.00 N ATOM 622 CA GLY A 46 7.844 1.059 -4.531 1.00 0.00 C ATOM 623 C GLY A 46 7.574 -0.426 -4.725 1.00 0.00 C ATOM 624 O GLY A 46 8.460 -1.240 -4.477 1.00 0.00 O ATOM 0 H GLY A 46 6.458 2.419 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.669 1.592 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.890 1.214 -4.267 1.00 0.00 H new ATOM 628 N LEU A 47 6.343 -0.787 -5.103 1.00 0.00 N ATOM 629 CA LEU A 47 5.979 -2.189 -5.214 1.00 0.00 C ATOM 630 C LEU A 47 6.908 -2.868 -6.225 1.00 0.00 C ATOM 631 O LEU A 47 6.937 -2.452 -7.380 1.00 0.00 O ATOM 632 CB LEU A 47 4.529 -2.322 -5.692 1.00 0.00 C ATOM 633 CG LEU A 47 3.406 -1.771 -4.793 1.00 0.00 C ATOM 634 CD1 LEU A 47 2.352 -2.841 -4.547 1.00 0.00 C ATOM 635 CD2 LEU A 47 3.739 -1.198 -3.461 1.00 0.00 C ATOM 0 H LEU A 47 5.596 -0.132 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 47 6.076 -2.663 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.452 -1.827 -6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.331 -3.381 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 47 3.078 -0.920 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.565 -2.437 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.923 -3.155 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.812 -3.698 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.825 -0.861 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.220 -1.960 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.416 -0.353 -3.587 1.00 0.00 H new ATOM 646 N ASP A 48 7.659 -3.901 -5.827 1.00 0.00 N ATOM 647 CA ASP A 48 8.508 -4.593 -6.794 1.00 0.00 C ATOM 648 C ASP A 48 7.666 -5.620 -7.528 1.00 0.00 C ATOM 649 O ASP A 48 7.553 -5.607 -8.751 1.00 0.00 O ATOM 650 CB ASP A 48 9.700 -5.296 -6.150 1.00 0.00 C ATOM 651 CG ASP A 48 10.630 -5.873 -7.219 1.00 0.00 C ATOM 652 OD1 ASP A 48 10.391 -5.597 -8.422 1.00 0.00 O ATOM 653 OD2 ASP A 48 11.564 -6.599 -6.824 1.00 0.00 O ATOM 0 H ASP A 48 7.696 -4.265 -4.875 1.00 0.00 H new ATOM 0 HA ASP A 48 8.910 -3.841 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.249 -4.592 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.348 -6.095 -5.497 1.00 0.00 H new ATOM 657 N ASP A 49 7.076 -6.510 -6.736 1.00 0.00 N ATOM 658 CA ASP A 49 6.106 -7.498 -7.186 1.00 0.00 C ATOM 659 C ASP A 49 5.042 -6.822 -8.058 1.00 0.00 C ATOM 660 O ASP A 49 4.743 -7.283 -9.156 1.00 0.00 O ATOM 661 CB ASP A 49 5.502 -8.112 -5.926 1.00 0.00 C ATOM 662 CG ASP A 49 4.450 -9.181 -6.153 1.00 0.00 C ATOM 663 OD1 ASP A 49 4.346 -9.698 -7.283 1.00 0.00 O ATOM 664 OD2 ASP A 49 3.746 -9.467 -5.162 1.00 0.00 O ATOM 0 H ASP A 49 7.266 -6.564 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 49 6.565 -8.274 -7.798 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.308 -8.542 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.059 -7.313 -5.331 1.00 0.00 H new ATOM 668 N ASP A 50 4.531 -5.686 -7.560 1.00 0.00 N ATOM 669 CA ASP A 50 3.538 -4.831 -8.203 1.00 0.00 C ATOM 670 C ASP A 50 2.404 -5.664 -8.778 1.00 0.00 C ATOM 671 O ASP A 50 2.260 -5.922 -9.975 1.00 0.00 O ATOM 672 CB ASP A 50 4.144 -3.966 -9.277 1.00 0.00 C ATOM 673 CG ASP A 50 3.160 -2.971 -9.894 1.00 0.00 C ATOM 674 OD1 ASP A 50 1.965 -2.995 -9.516 1.00 0.00 O ATOM 675 OD2 ASP A 50 3.626 -2.165 -10.726 1.00 0.00 O ATOM 0 H ASP A 50 4.818 -5.326 -6.650 1.00 0.00 H new ATOM 0 HA ASP A 50 3.140 -4.169 -7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.986 -3.417 -8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.542 -4.606 -10.065 1.00 0.00 H new ATOM 679 N LYS A 51 1.527 -5.988 -7.858 1.00 0.00 N ATOM 680 CA LYS A 51 0.193 -6.427 -8.224 1.00 0.00 C ATOM 681 C LYS A 51 -0.623 -5.216 -8.658 1.00 0.00 C ATOM 682 O LYS A 51 -1.555 -4.802 -7.972 1.00 0.00 O ATOM 683 CB LYS A 51 -0.481 -7.211 -7.104 1.00 0.00 C ATOM 684 CG LYS A 51 -0.255 -8.718 -7.216 1.00 0.00 C ATOM 685 CD LYS A 51 1.180 -9.133 -6.900 1.00 0.00 C ATOM 686 CE LYS A 51 1.370 -10.656 -6.832 1.00 0.00 C ATOM 687 NZ LYS A 51 0.250 -11.389 -6.202 1.00 0.00 N ATOM 0 H LYS A 51 1.707 -5.958 -6.855 1.00 0.00 H new ATOM 0 HA LYS A 51 0.263 -7.122 -9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.102 -6.862 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.552 -7.007 -7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.934 -9.233 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.507 -9.043 -8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.845 -8.724 -7.661 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.477 -8.694 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.513 -11.037 -7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.284 -10.871 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.617 -12.230 -5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.228 -10.770 -5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.428 -11.684 -6.934 1.00 0.00 H new ATOM 697 N ALA A 52 -0.276 -4.690 -9.832 1.00 0.00 N ATOM 698 CA ALA A 52 -1.069 -3.733 -10.574 1.00 0.00 C ATOM 699 C ALA A 52 -1.502 -2.576 -9.683 1.00 0.00 C ATOM 700 O ALA A 52 -2.707 -2.363 -9.532 1.00 0.00 O ATOM 701 CB ALA A 52 -2.287 -4.474 -11.139 1.00 0.00 C ATOM 0 H ALA A 52 0.596 -4.932 -10.302 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.479 -3.305 -11.385 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.906 -3.778 -11.705 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.952 -5.278 -11.795 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.870 -4.894 -10.319 1.00 0.00 H new ATOM 707 N VAL A 53 -0.525 -1.882 -9.080 1.00 0.00 N ATOM 708 CA VAL A 53 -0.758 -1.003 -7.934 1.00 0.00 C ATOM 709 C VAL A 53 -2.079 -0.239 -8.056 1.00 0.00 C ATOM 710 O VAL A 53 -2.363 0.370 -9.093 1.00 0.00 O ATOM 711 CB VAL A 53 0.385 0.014 -7.707 1.00 0.00 C ATOM 712 CG1 VAL A 53 1.774 -0.621 -7.650 1.00 0.00 C ATOM 713 CG2 VAL A 53 0.436 1.108 -8.785 1.00 0.00 C ATOM 0 H VAL A 53 0.450 -1.918 -9.377 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.800 -1.671 -7.073 1.00 0.00 H new ATOM 0 HB VAL A 53 0.142 0.446 -6.736 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.522 0.155 -7.489 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.813 -1.339 -6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.979 -1.133 -8.590 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.258 1.791 -8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.590 0.649 -9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.504 1.661 -8.787 1.00 0.00 H new ATOM 723 N LEU A 54 -2.910 -0.293 -7.016 1.00 0.00 N ATOM 724 CA LEU A 54 -4.249 0.251 -7.115 1.00 0.00 C ATOM 725 C LEU A 54 -4.254 1.757 -7.312 1.00 0.00 C ATOM 726 O LEU A 54 -3.248 2.459 -7.219 1.00 0.00 O ATOM 727 CB LEU A 54 -5.144 -0.153 -5.936 1.00 0.00 C ATOM 728 CG LEU A 54 -6.411 -0.906 -6.378 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.084 -2.192 -7.147 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.263 -1.210 -5.140 1.00 0.00 C ATOM 0 H LEU A 54 -2.678 -0.703 -6.111 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.677 -0.196 -8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.574 -0.781 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.433 0.740 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.969 -0.271 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.010 -2.688 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.509 -1.946 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.500 -2.858 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.164 -1.744 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.691 -1.826 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.541 -0.276 -4.651 1.00 0.00 H new ATOM 741 N LYS A 55 -5.465 2.209 -7.601 1.00 0.00 N ATOM 742 CA LYS A 55 -5.785 3.542 -8.050 1.00 0.00 C ATOM 743 C LYS A 55 -6.408 4.288 -6.877 1.00 0.00 C ATOM 744 O LYS A 55 -7.386 3.827 -6.291 1.00 0.00 O ATOM 745 CB LYS A 55 -6.682 3.482 -9.296 1.00 0.00 C ATOM 746 CG LYS A 55 -6.006 2.683 -10.428 1.00 0.00 C ATOM 747 CD LYS A 55 -6.456 1.210 -10.462 1.00 0.00 C ATOM 748 CE LYS A 55 -5.369 0.256 -10.988 1.00 0.00 C ATOM 749 NZ LYS A 55 -4.900 0.595 -12.345 1.00 0.00 N ATOM 0 H LYS A 55 -6.292 1.617 -7.522 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.895 4.089 -8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.635 3.020 -9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.900 4.493 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.235 3.151 -11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.924 2.726 -10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.745 0.902 -9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.342 1.122 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.521 0.271 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.759 -0.762 -10.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.170 -0.085 -12.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.699 0.554 -13.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.499 1.555 -12.344 1.00 0.00 H new ATOM 759 N ILE A 56 -5.785 5.403 -6.510 1.00 0.00 N ATOM 760 CA ILE A 56 -6.095 6.204 -5.342 1.00 0.00 C ATOM 761 C ILE A 56 -6.613 7.555 -5.816 1.00 0.00 C ATOM 762 O ILE A 56 -6.250 8.024 -6.893 1.00 0.00 O ATOM 763 CB ILE A 56 -4.854 6.325 -4.432 1.00 0.00 C ATOM 764 CG1 ILE A 56 -3.517 6.313 -5.205 1.00 0.00 C ATOM 765 CG2 ILE A 56 -4.890 5.174 -3.427 1.00 0.00 C ATOM 766 CD1 ILE A 56 -2.289 6.297 -4.293 1.00 0.00 C ATOM 0 H ILE A 56 -5.011 5.788 -7.051 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.870 5.731 -4.739 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.898 7.293 -3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.489 5.438 -5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.470 7.191 -5.850 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.022 5.237 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.801 5.239 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.873 4.224 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.384 6.289 -4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.294 7.185 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.313 5.405 -3.666 1.00 0.00 H new ATOM 777 N LYS A 57 -7.486 8.167 -5.014 1.00 0.00 N ATOM 778 CA LYS A 57 -7.992 9.495 -5.288 1.00 0.00 C ATOM 779 C LYS A 57 -6.847 10.465 -4.991 1.00 0.00 C ATOM 780 O LYS A 57 -5.967 10.148 -4.190 1.00 0.00 O ATOM 781 CB LYS A 57 -9.217 9.782 -4.409 1.00 0.00 C ATOM 782 CG LYS A 57 -10.314 8.692 -4.468 1.00 0.00 C ATOM 783 CD LYS A 57 -10.773 8.140 -3.099 1.00 0.00 C ATOM 784 CE LYS A 57 -9.884 6.991 -2.579 1.00 0.00 C ATOM 785 NZ LYS A 57 -10.204 6.560 -1.197 1.00 0.00 N ATOM 0 H LYS A 57 -7.856 7.749 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.317 9.599 -6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.889 9.895 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.651 10.735 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.182 9.101 -4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.946 7.862 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.773 8.950 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.801 7.786 -3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.985 6.136 -3.248 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.841 7.306 -2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.339 6.220 -0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.592 7.364 -0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.906 5.793 -1.226 1.00 0.00 H new ATOM 795 N ASP A 58 -6.840 11.644 -5.607 1.00 0.00 N ATOM 796 CA ASP A 58 -5.657 12.501 -5.536 1.00 0.00 C ATOM 797 C ASP A 58 -5.443 12.998 -4.111 1.00 0.00 C ATOM 798 O ASP A 58 -4.351 12.960 -3.548 1.00 0.00 O ATOM 799 CB ASP A 58 -5.744 13.673 -6.512 1.00 0.00 C ATOM 800 CG ASP A 58 -4.332 14.055 -6.930 1.00 0.00 C ATOM 801 OD1 ASP A 58 -3.830 13.481 -7.921 1.00 0.00 O ATOM 802 OD2 ASP A 58 -3.662 14.816 -6.198 1.00 0.00 O ATOM 0 H ASP A 58 -7.618 12.022 -6.148 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.797 11.899 -5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.336 13.397 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.243 14.521 -6.043 1.00 0.00 H new ATOM 806 N ALA A 59 -6.551 13.403 -3.498 1.00 0.00 N ATOM 807 CA ALA A 59 -6.574 13.734 -2.086 1.00 0.00 C ATOM 808 C ALA A 59 -6.045 12.582 -1.229 1.00 0.00 C ATOM 809 O ALA A 59 -5.265 12.819 -0.312 1.00 0.00 O ATOM 810 CB ALA A 59 -7.988 14.141 -1.666 1.00 0.00 C ATOM 0 H ALA A 59 -7.451 13.509 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.908 14.581 -1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.995 14.388 -0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.303 15.011 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.675 13.315 -1.851 1.00 0.00 H new ATOM 816 N THR A 60 -6.440 11.335 -1.514 1.00 0.00 N ATOM 817 CA THR A 60 -5.945 10.212 -0.729 1.00 0.00 C ATOM 818 C THR A 60 -4.464 9.964 -0.981 1.00 0.00 C ATOM 819 O THR A 60 -3.738 9.702 -0.034 1.00 0.00 O ATOM 820 CB THR A 60 -6.767 8.934 -0.923 1.00 0.00 C ATOM 821 OG1 THR A 60 -6.856 8.518 -2.270 1.00 0.00 O ATOM 822 CG2 THR A 60 -8.185 9.122 -0.386 1.00 0.00 C ATOM 0 H THR A 60 -7.085 11.087 -2.264 1.00 0.00 H new ATOM 0 HA THR A 60 -6.066 10.497 0.316 1.00 0.00 H new ATOM 0 HB THR A 60 -6.236 8.160 -0.368 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.422 9.181 -2.847 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.754 8.204 -0.532 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.143 9.357 0.677 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.671 9.939 -0.919 1.00 0.00 H new ATOM 830 N LYS A 61 -4.006 10.051 -2.231 1.00 0.00 N ATOM 831 CA LYS A 61 -2.594 10.000 -2.577 1.00 0.00 C ATOM 832 C LYS A 61 -1.845 10.974 -1.691 1.00 0.00 C ATOM 833 O LYS A 61 -0.972 10.580 -0.933 1.00 0.00 O ATOM 834 CB LYS A 61 -2.497 10.352 -4.066 1.00 0.00 C ATOM 835 CG LYS A 61 -1.243 11.042 -4.640 1.00 0.00 C ATOM 836 CD LYS A 61 -1.782 12.167 -5.536 1.00 0.00 C ATOM 837 CE LYS A 61 -0.748 12.906 -6.389 1.00 0.00 C ATOM 838 NZ LYS A 61 -1.413 13.969 -7.175 1.00 0.00 N ATOM 0 H LYS A 61 -4.618 10.160 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.148 9.019 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.634 9.425 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.348 10.992 -4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.612 11.439 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.633 10.341 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.535 11.744 -6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.288 12.896 -4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.020 13.341 -5.750 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.248 12.206 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.698 14.511 -7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.082 13.538 -7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.927 14.605 -6.533 1.00 0.00 H new ATOM 848 N SER A 62 -2.221 12.244 -1.785 1.00 0.00 N ATOM 849 CA SER A 62 -1.584 13.294 -0.998 1.00 0.00 C ATOM 850 C SER A 62 -1.541 12.929 0.493 1.00 0.00 C ATOM 851 O SER A 62 -0.461 12.858 1.084 1.00 0.00 O ATOM 852 CB SER A 62 -2.289 14.633 -1.264 1.00 0.00 C ATOM 853 OG SER A 62 -1.592 15.701 -0.656 1.00 0.00 O ATOM 0 H SER A 62 -2.966 12.572 -2.400 1.00 0.00 H new ATOM 0 HA SER A 62 -0.544 13.397 -1.308 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.359 14.804 -2.338 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.309 14.594 -0.880 1.00 0.00 H new ATOM 0 HG SER A 62 -2.058 16.543 -0.840 1.00 0.00 H new ATOM 858 N TYR A 63 -2.708 12.644 1.083 1.00 0.00 N ATOM 859 CA TYR A 63 -2.830 12.214 2.471 1.00 0.00 C ATOM 860 C TYR A 63 -1.870 11.065 2.772 1.00 0.00 C ATOM 861 O TYR A 63 -1.248 11.017 3.830 1.00 0.00 O ATOM 862 CB TYR A 63 -4.270 11.750 2.752 1.00 0.00 C ATOM 863 CG TYR A 63 -4.501 11.233 4.166 1.00 0.00 C ATOM 864 CD1 TYR A 63 -3.928 11.919 5.255 1.00 0.00 C ATOM 865 CD2 TYR A 63 -5.020 9.938 4.371 1.00 0.00 C ATOM 866 CE1 TYR A 63 -3.647 11.233 6.447 1.00 0.00 C ATOM 867 CE2 TYR A 63 -4.722 9.245 5.559 1.00 0.00 C ATOM 868 CZ TYR A 63 -3.970 9.873 6.565 1.00 0.00 C ATOM 869 OH TYR A 63 -3.434 9.144 7.585 1.00 0.00 O ATOM 0 H TYR A 63 -3.603 12.708 0.599 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.580 13.061 3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.949 12.582 2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.530 10.963 2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.705 12.973 5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.644 9.479 3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.183 11.752 7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.071 8.232 5.697 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.755 8.220 7.530 1.00 0.00 H new ATOM 878 N CYS A 64 -1.813 10.114 1.846 1.00 0.00 N ATOM 879 CA CYS A 64 -1.156 8.832 2.008 1.00 0.00 C ATOM 880 C CYS A 64 0.145 8.749 1.223 1.00 0.00 C ATOM 881 O CYS A 64 0.473 7.652 0.779 1.00 0.00 O ATOM 882 CB CYS A 64 -2.103 7.706 1.571 1.00 0.00 C ATOM 883 SG CYS A 64 -3.650 7.621 2.483 1.00 0.00 S ATOM 0 H CYS A 64 -2.242 10.224 0.927 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.907 8.721 3.063 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.329 7.832 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.584 6.753 1.675 1.00 0.00 H new ATOM 887 N ASP A 65 0.909 9.840 1.078 1.00 0.00 N ATOM 888 CA ASP A 65 2.246 9.770 0.485 1.00 0.00 C ATOM 889 C ASP A 65 3.312 10.380 1.397 1.00 0.00 C ATOM 890 O ASP A 65 4.234 9.698 1.845 1.00 0.00 O ATOM 891 CB ASP A 65 2.229 10.434 -0.891 1.00 0.00 C ATOM 892 CG ASP A 65 3.506 10.095 -1.631 1.00 0.00 C ATOM 893 OD1 ASP A 65 3.571 8.941 -2.111 1.00 0.00 O ATOM 894 OD2 ASP A 65 4.391 10.970 -1.684 1.00 0.00 O ATOM 0 H ASP A 65 0.623 10.777 1.363 1.00 0.00 H new ATOM 0 HA ASP A 65 2.517 8.721 0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.365 10.093 -1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.134 11.515 -0.784 1.00 0.00 H new ATOM 898 N VAL A 66 3.147 11.666 1.715 1.00 0.00 N ATOM 899 CA VAL A 66 4.094 12.460 2.500 1.00 0.00 C ATOM 900 C VAL A 66 4.348 11.850 3.890 1.00 0.00 C ATOM 901 O VAL A 66 5.399 12.078 4.484 1.00 0.00 O ATOM 902 CB VAL A 66 3.585 13.914 2.585 1.00 0.00 C ATOM 903 CG1 VAL A 66 4.545 14.815 3.375 1.00 0.00 C ATOM 904 CG2 VAL A 66 3.412 14.519 1.183 1.00 0.00 C ATOM 0 H VAL A 66 2.327 12.199 1.425 1.00 0.00 H new ATOM 0 HA VAL A 66 5.061 12.456 1.997 1.00 0.00 H new ATOM 0 HB VAL A 66 2.626 13.871 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.147 15.829 3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.651 14.432 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.520 14.824 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.052 15.544 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.370 14.514 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.690 13.929 0.618 1.00 0.00 H new ATOM 914 N GLN A 67 3.387 11.062 4.384 1.00 0.00 N ATOM 915 CA GLN A 67 3.374 10.273 5.605 1.00 0.00 C ATOM 916 C GLN A 67 4.766 9.976 6.155 1.00 0.00 C ATOM 917 O GLN A 67 5.129 10.428 7.239 1.00 0.00 O ATOM 918 CB GLN A 67 2.669 8.966 5.228 1.00 0.00 C ATOM 919 CG GLN A 67 1.153 9.146 5.135 1.00 0.00 C ATOM 920 CD GLN A 67 0.429 9.217 6.435 1.00 0.00 C ATOM 921 OE1 GLN A 67 0.858 8.734 7.478 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.774 9.722 6.284 1.00 0.00 N ATOM 0 H GLN A 67 2.508 10.955 3.878 1.00 0.00 H new ATOM 0 HA GLN A 67 2.870 10.825 6.398 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.052 8.609 4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.900 8.201 5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.948 10.059 4.576 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.742 8.319 4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.056 10.106 5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.426 9.730 7.069 1.00 0.00 H new ATOM 929 N ILE A 68 5.517 9.164 5.414 1.00 0.00 N ATOM 930 CA ILE A 68 6.811 8.667 5.834 1.00 0.00 C ATOM 931 C ILE A 68 7.889 9.651 5.372 1.00 0.00 C ATOM 932 O ILE A 68 8.763 10.029 6.147 1.00 0.00 O ATOM 933 CB ILE A 68 6.971 7.248 5.280 1.00 0.00 C ATOM 934 CG1 ILE A 68 5.987 6.294 5.984 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.406 6.740 5.370 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.402 5.710 7.336 1.00 0.00 C ATOM 0 H ILE A 68 5.233 8.832 4.492 1.00 0.00 H new ATOM 0 HA ILE A 68 6.907 8.599 6.918 1.00 0.00 H new ATOM 0 HB ILE A 68 6.731 7.279 4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.046 6.827 6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.785 5.463 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.461 5.730 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.061 7.397 4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.723 6.729 6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.612 5.059 7.709 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.320 5.135 7.217 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.570 6.520 8.046 1.00 0.00 H new ATOM 947 N ILE A 69 7.826 10.074 4.105 1.00 0.00 N ATOM 948 CA ILE A 69 8.754 11.048 3.548 1.00 0.00 C ATOM 949 C ILE A 69 8.254 12.449 3.915 1.00 0.00 C ATOM 950 O ILE A 69 7.918 13.263 3.056 1.00 0.00 O ATOM 951 CB ILE A 69 8.921 10.818 2.029 1.00 0.00 C ATOM 952 CG1 ILE A 69 9.168 9.336 1.675 1.00 0.00 C ATOM 953 CG2 ILE A 69 10.057 11.680 1.455 1.00 0.00 C ATOM 954 CD1 ILE A 69 10.438 8.741 2.296 1.00 0.00 C ATOM 0 H ILE A 69 7.126 9.746 3.440 1.00 0.00 H new ATOM 0 HA ILE A 69 9.753 10.935 3.969 1.00 0.00 H new ATOM 0 HB ILE A 69 7.976 11.117 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.309 8.749 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 69 9.228 9.239 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.149 11.495 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.835 12.734 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.994 11.423 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 69 10.535 7.697 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.308 9.300 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 69 10.375 8.802 3.382 1.00 0.00 H new