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 61 LYS NZ :NH3+ 168:sc= 2.3 (180deg=0.337) USER MOD Set 1.2: A 62 SER OG : rot 108:sc= 2.11 USER MOD Set 2.1: A 5 TYR OH : rot 1:sc= 0.166 USER MOD Set 2.2: A 57 LYS NZ :NH3+ -136:sc= 1.27 (180deg=-0.218) USER MOD Set 2.3: A 60 THR OG1 : rot -120:sc= 1.03 USER MOD Set 3.1: A 3 ASN : amide:sc= 0.115 K(o=0.21,f=-4.8!) USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= 0.0977 USER MOD Set 4.1: A 23 ASN : amide:sc= 1.57 K(o=2.8,f=-1!) USER MOD Set 4.2: A 34 SER OG : rot 58:sc= 1.21 USER MOD Single : A 2 LYS NZ :NH3+ -108:sc= 0.827 (180deg=-0.366!) USER MOD Single : A 9 SER OG : rot -32:sc= 0.465 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 2.09 (180deg=2.03) USER MOD Single : A 14 SER OG : rot -47:sc= 0.663 USER MOD Single : A 19 ASN : amide:sc= -0.183 K(o=-0.18,f=-5.5!) USER MOD Single : A 20 ASN : amide:sc=-0.00836 X(o=-0.0084,f=-0.0084) USER MOD Single : A 21 TYR OH : rot -53:sc= 1.2 USER MOD Single : A 24 ASN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 27 THR OG1 : rot -39:sc= 1.19 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -15:sc= 0.753 USER MOD Single : A 31 TYR OH : rot 36:sc= 1.21 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -58:sc= 0.0793 USER MOD Single : A 41 SER OG : rot -24:sc= 0.783 USER MOD Single : A 51 LYS NZ :NH3+ 140:sc= 2.3 (180deg=1.8) 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= 1.09 K(o=1.1,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 2 7.536 1.095 -7.244 1.00 0.00 N ATOM 20 CA LYS A 2 6.663 2.260 -7.321 1.00 0.00 C ATOM 21 C LYS A 2 5.974 2.467 -5.977 1.00 0.00 C ATOM 22 O LYS A 2 6.451 1.971 -4.966 1.00 0.00 O ATOM 23 CB LYS A 2 5.697 2.047 -8.490 1.00 0.00 C ATOM 24 CG LYS A 2 4.949 0.705 -8.401 1.00 0.00 C ATOM 25 CD LYS A 2 3.477 0.860 -8.047 1.00 0.00 C ATOM 26 CE LYS A 2 2.686 1.470 -9.217 1.00 0.00 C ATOM 27 NZ LYS A 2 1.503 2.219 -8.753 1.00 0.00 N ATOM 0 HA LYS A 2 7.217 3.178 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.973 2.862 -8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.252 2.088 -9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.033 0.186 -9.356 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.432 0.077 -7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.058 -0.112 -7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.377 1.494 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.336 2.135 -9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.370 0.676 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.641 1.687 -8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.558 2.352 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.475 3.148 -9.221 1.00 0.00 H new ATOM 37 N ASN A 3 4.850 3.179 -5.942 1.00 0.00 N ATOM 38 CA ASN A 3 3.950 3.279 -4.820 1.00 0.00 C ATOM 39 C ASN A 3 2.527 3.110 -5.335 1.00 0.00 C ATOM 40 O ASN A 3 2.214 3.475 -6.473 1.00 0.00 O ATOM 41 CB ASN A 3 4.133 4.623 -4.142 1.00 0.00 C ATOM 42 CG ASN A 3 4.021 5.833 -5.065 1.00 0.00 C ATOM 43 OD1 ASN A 3 4.143 5.754 -6.284 1.00 0.00 O ATOM 44 ND2 ASN A 3 3.789 6.979 -4.448 1.00 0.00 N ATOM 0 H ASN A 3 4.536 3.727 -6.743 1.00 0.00 H new ATOM 0 HA ASN A 3 4.159 2.503 -4.084 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.389 4.718 -3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.112 4.641 -3.662 1.00 0.00 H new ATOM 0 HD21 ASN A 3 3.705 7.841 -4.987 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.694 7.001 -3.433 1.00 0.00 H new ATOM 50 N GLY A 4 1.680 2.455 -4.548 1.00 0.00 N ATOM 51 CA GLY A 4 0.390 2.000 -5.047 1.00 0.00 C ATOM 52 C GLY A 4 -0.426 1.332 -3.954 1.00 0.00 C ATOM 53 O GLY A 4 0.094 1.053 -2.872 1.00 0.00 O ATOM 0 H GLY A 4 1.862 2.229 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.165 2.847 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.543 1.299 -5.868 1.00 0.00 H new ATOM 57 N TYR A 5 -1.705 1.081 -4.250 1.00 0.00 N ATOM 58 CA TYR A 5 -2.589 0.364 -3.351 1.00 0.00 C ATOM 59 C TYR A 5 -2.453 -1.138 -3.560 1.00 0.00 C ATOM 60 O TYR A 5 -2.793 -1.649 -4.622 1.00 0.00 O ATOM 61 CB TYR A 5 -4.043 0.816 -3.526 1.00 0.00 C ATOM 62 CG TYR A 5 -4.610 1.957 -2.704 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.835 2.714 -1.805 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.980 2.252 -2.852 1.00 0.00 C ATOM 65 CE1 TYR A 5 -4.434 3.736 -1.049 1.00 0.00 C ATOM 66 CE2 TYR A 5 -6.573 3.280 -2.104 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.814 3.988 -1.162 1.00 0.00 C ATOM 68 OH TYR A 5 -6.411 4.972 -0.426 1.00 0.00 O ATOM 0 H TYR A 5 -2.148 1.373 -5.121 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.295 0.596 -2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.170 1.084 -4.575 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.672 -0.054 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.780 2.509 -1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.578 1.682 -3.547 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.832 4.331 -0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.614 3.526 -2.254 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.737 5.424 0.124 1.00 0.00 H new ATOM 77 N ALA A 6 -1.954 -1.840 -2.549 1.00 0.00 N ATOM 78 CA ALA A 6 -1.568 -3.231 -2.663 1.00 0.00 C ATOM 79 C ALA A 6 -2.764 -4.164 -2.478 1.00 0.00 C ATOM 80 O ALA A 6 -3.313 -4.271 -1.378 1.00 0.00 O ATOM 81 CB ALA A 6 -0.487 -3.505 -1.630 1.00 0.00 C ATOM 0 H ALA A 6 -1.807 -1.449 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.183 -3.424 -3.664 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.178 -4.548 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.371 -2.860 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.878 -3.304 -0.632 1.00 0.00 H new ATOM 87 N VAL A 7 -3.129 -4.844 -3.570 1.00 0.00 N ATOM 88 CA VAL A 7 -4.131 -5.895 -3.617 1.00 0.00 C ATOM 89 C VAL A 7 -3.441 -7.199 -4.003 1.00 0.00 C ATOM 90 O VAL A 7 -2.549 -7.198 -4.850 1.00 0.00 O ATOM 91 CB VAL A 7 -5.279 -5.519 -4.571 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.972 -4.252 -4.050 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.804 -5.313 -6.016 1.00 0.00 C ATOM 0 H VAL A 7 -2.711 -4.663 -4.482 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.593 -6.026 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.982 -6.352 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.786 -3.980 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.371 -4.439 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.251 -3.435 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.655 -5.050 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.068 -4.509 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.351 -6.233 -6.385 1.00 0.00 H new ATOM 103 N ASP A 8 -3.810 -8.295 -3.338 1.00 0.00 N ATOM 104 CA ASP A 8 -2.988 -9.471 -3.234 1.00 0.00 C ATOM 105 C ASP A 8 -2.965 -10.258 -4.541 1.00 0.00 C ATOM 106 O ASP A 8 -1.899 -10.478 -5.114 1.00 0.00 O ATOM 107 CB ASP A 8 -3.569 -10.269 -2.068 1.00 0.00 C ATOM 108 CG ASP A 8 -3.201 -9.716 -0.691 1.00 0.00 C ATOM 109 OD1 ASP A 8 -2.269 -8.887 -0.610 1.00 0.00 O ATOM 110 OD2 ASP A 8 -3.888 -10.121 0.271 1.00 0.00 O ATOM 0 H ASP A 8 -4.704 -8.378 -2.854 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.942 -9.225 -3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.655 -10.290 -2.161 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.223 -11.300 -2.138 1.00 0.00 H new ATOM 114 N SER A 9 -4.138 -10.714 -4.989 1.00 0.00 N ATOM 115 CA SER A 9 -4.271 -11.523 -6.193 1.00 0.00 C ATOM 116 C SER A 9 -5.517 -11.200 -7.020 1.00 0.00 C ATOM 117 O SER A 9 -5.615 -11.693 -8.142 1.00 0.00 O ATOM 118 CB SER A 9 -4.230 -13.013 -5.832 1.00 0.00 C ATOM 119 OG SER A 9 -4.152 -13.802 -7.007 1.00 0.00 O ATOM 0 H SER A 9 -5.025 -10.528 -4.520 1.00 0.00 H new ATOM 0 HA SER A 9 -3.422 -11.273 -6.829 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.371 -13.216 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.121 -13.281 -5.264 1.00 0.00 H new ATOM 0 HG SER A 9 -4.628 -13.352 -7.736 1.00 0.00 H new ATOM 124 N SER A 10 -6.478 -10.434 -6.491 1.00 0.00 N ATOM 125 CA SER A 10 -7.655 -10.018 -7.252 1.00 0.00 C ATOM 126 C SER A 10 -8.346 -8.854 -6.536 1.00 0.00 C ATOM 127 O SER A 10 -9.533 -8.899 -6.226 1.00 0.00 O ATOM 128 CB SER A 10 -8.608 -11.200 -7.505 1.00 0.00 C ATOM 129 OG SER A 10 -9.508 -10.878 -8.547 1.00 0.00 O ATOM 0 H SER A 10 -6.460 -10.089 -5.531 1.00 0.00 H new ATOM 0 HA SER A 10 -7.338 -9.669 -8.235 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.036 -12.090 -7.769 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.160 -11.434 -6.595 1.00 0.00 H new ATOM 0 HG SER A 10 -10.111 -11.635 -8.704 1.00 0.00 H new ATOM 134 N GLY A 11 -7.578 -7.812 -6.216 1.00 0.00 N ATOM 135 CA GLY A 11 -8.119 -6.544 -5.754 1.00 0.00 C ATOM 136 C GLY A 11 -8.569 -6.554 -4.295 1.00 0.00 C ATOM 137 O GLY A 11 -8.957 -5.520 -3.758 1.00 0.00 O ATOM 0 H GLY A 11 -6.560 -7.829 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.363 -5.769 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.967 -6.272 -6.383 1.00 0.00 H new ATOM 141 N LYS A 12 -8.441 -7.697 -3.624 1.00 0.00 N ATOM 142 CA LYS A 12 -8.556 -7.751 -2.187 1.00 0.00 C ATOM 143 C LYS A 12 -7.283 -7.129 -1.616 1.00 0.00 C ATOM 144 O LYS A 12 -6.194 -7.676 -1.812 1.00 0.00 O ATOM 145 CB LYS A 12 -8.686 -9.212 -1.780 1.00 0.00 C ATOM 146 CG LYS A 12 -8.901 -9.364 -0.272 1.00 0.00 C ATOM 147 CD LYS A 12 -8.390 -10.744 0.142 1.00 0.00 C ATOM 148 CE LYS A 12 -6.860 -10.838 0.269 1.00 0.00 C ATOM 149 NZ LYS A 12 -6.263 -9.880 1.223 1.00 0.00 N ATOM 0 H LYS A 12 -8.257 -8.598 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.426 -7.210 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.521 -9.665 -2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.787 -9.753 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.368 -8.582 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.958 -9.259 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.840 -11.014 1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.728 -11.479 -0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.595 -11.850 0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.416 -10.677 -0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.229 -9.988 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.510 -8.910 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.630 -10.067 2.178 1.00 0.00 H new ATOM 159 N VAL A 13 -7.428 -6.004 -0.915 1.00 0.00 N ATOM 160 CA VAL A 13 -6.317 -5.306 -0.290 1.00 0.00 C ATOM 161 C VAL A 13 -5.542 -6.235 0.649 1.00 0.00 C ATOM 162 O VAL A 13 -6.099 -7.205 1.181 1.00 0.00 O ATOM 163 CB VAL A 13 -6.790 -4.015 0.406 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.432 -3.047 -0.599 1.00 0.00 C ATOM 165 CG2 VAL A 13 -7.771 -4.272 1.557 1.00 0.00 C ATOM 0 H VAL A 13 -8.330 -5.552 -0.767 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.621 -4.999 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.892 -3.566 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.756 -2.145 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.704 -2.782 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.293 -3.526 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.065 -3.322 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.655 -4.782 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.291 -4.895 2.312 1.00 0.00 H new ATOM 175 N SER A 14 -4.266 -5.914 0.875 1.00 0.00 N ATOM 176 CA SER A 14 -3.422 -6.547 1.887 1.00 0.00 C ATOM 177 C SER A 14 -3.873 -6.144 3.303 1.00 0.00 C ATOM 178 O SER A 14 -3.051 -5.746 4.126 1.00 0.00 O ATOM 179 CB SER A 14 -1.957 -6.183 1.584 1.00 0.00 C ATOM 180 OG SER A 14 -1.074 -6.632 2.591 1.00 0.00 O ATOM 0 H SER A 14 -3.781 -5.189 0.346 1.00 0.00 H new ATOM 0 HA SER A 14 -3.517 -7.632 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.667 -6.619 0.628 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.867 -5.102 1.481 1.00 0.00 H new ATOM 0 HG SER A 14 -1.436 -6.398 3.471 1.00 0.00 H new ATOM 185 N GLU A 15 -5.167 -6.311 3.605 1.00 0.00 N ATOM 186 CA GLU A 15 -5.771 -6.134 4.904 1.00 0.00 C ATOM 187 C GLU A 15 -5.309 -4.822 5.559 1.00 0.00 C ATOM 188 O GLU A 15 -5.529 -3.764 4.972 1.00 0.00 O ATOM 189 CB GLU A 15 -5.461 -7.437 5.637 1.00 0.00 C ATOM 190 CG GLU A 15 -6.123 -7.597 7.000 1.00 0.00 C ATOM 191 CD GLU A 15 -5.066 -7.945 8.032 1.00 0.00 C ATOM 192 OE1 GLU A 15 -4.410 -6.977 8.474 1.00 0.00 O ATOM 193 OE2 GLU A 15 -4.862 -9.154 8.272 1.00 0.00 O ATOM 0 H GLU A 15 -5.848 -6.589 2.898 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.851 -5.990 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.766 -8.271 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.381 -7.513 5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.632 -6.675 7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.880 -8.380 6.960 1.00 0.00 H new ATOM 198 N CYS A 16 -4.681 -4.903 6.738 1.00 0.00 N ATOM 199 CA CYS A 16 -4.115 -3.839 7.565 1.00 0.00 C ATOM 200 C CYS A 16 -4.895 -3.657 8.868 1.00 0.00 C ATOM 201 O CYS A 16 -5.470 -2.615 9.158 1.00 0.00 O ATOM 202 CB CYS A 16 -3.756 -2.533 6.833 1.00 0.00 C ATOM 203 SG CYS A 16 -5.002 -1.228 6.615 1.00 0.00 S ATOM 0 H CYS A 16 -4.544 -5.812 7.179 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.125 -4.196 7.847 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.913 -2.088 7.362 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.400 -2.808 5.840 1.00 0.00 H new ATOM 207 N LEU A 17 -4.838 -4.667 9.734 1.00 0.00 N ATOM 208 CA LEU A 17 -5.221 -4.491 11.129 1.00 0.00 C ATOM 209 C LEU A 17 -4.342 -3.408 11.762 1.00 0.00 C ATOM 210 O LEU A 17 -4.806 -2.655 12.614 1.00 0.00 O ATOM 211 CB LEU A 17 -5.108 -5.811 11.905 1.00 0.00 C ATOM 212 CG LEU A 17 -6.160 -6.860 11.505 1.00 0.00 C ATOM 213 CD1 LEU A 17 -5.868 -8.165 12.252 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.592 -6.410 11.826 1.00 0.00 C ATOM 0 H LEU A 17 -4.532 -5.610 9.494 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.264 -4.178 11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.114 -6.229 11.748 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.202 -5.604 12.971 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.094 -6.999 10.426 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.608 -8.916 11.976 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.873 -8.522 11.986 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.915 -7.988 13.326 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.294 -7.187 11.524 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.686 -6.233 12.897 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.814 -5.490 11.285 1.00 0.00 H new ATOM 225 N LEU A 18 -3.076 -3.322 11.339 1.00 0.00 N ATOM 226 CA LEU A 18 -2.151 -2.302 11.792 1.00 0.00 C ATOM 227 C LEU A 18 -1.092 -2.031 10.721 1.00 0.00 C ATOM 228 O LEU A 18 -0.776 -2.893 9.899 1.00 0.00 O ATOM 229 CB LEU A 18 -1.550 -2.721 13.139 1.00 0.00 C ATOM 230 CG LEU A 18 -0.934 -4.132 13.110 1.00 0.00 C ATOM 231 CD1 LEU A 18 0.584 -4.019 13.143 1.00 0.00 C ATOM 232 CD2 LEU A 18 -1.441 -4.974 14.283 1.00 0.00 C ATOM 0 H LEU A 18 -2.670 -3.971 10.665 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.676 -1.360 11.950 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.784 -2.002 13.428 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.326 -2.685 13.904 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.237 -4.634 12.191 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.024 -5.016 13.123 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.926 -3.454 12.276 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.891 -3.506 14.054 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.991 -5.966 14.240 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.168 -4.492 15.222 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.526 -5.064 14.224 1.00 0.00 H new ATOM 243 N ASN A 19 -0.546 -0.814 10.726 1.00 0.00 N ATOM 244 CA ASN A 19 0.342 -0.312 9.688 1.00 0.00 C ATOM 245 C ASN A 19 1.562 -1.212 9.502 1.00 0.00 C ATOM 246 O ASN A 19 1.898 -1.590 8.382 1.00 0.00 O ATOM 247 CB ASN A 19 0.774 1.116 10.047 1.00 0.00 C ATOM 248 CG ASN A 19 -0.334 2.138 9.850 1.00 0.00 C ATOM 249 OD1 ASN A 19 -1.378 1.845 9.276 1.00 0.00 O ATOM 250 ND2 ASN A 19 -0.100 3.365 10.296 1.00 0.00 N ATOM 0 H ASN A 19 -0.716 -0.138 11.471 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.197 -0.308 8.741 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.103 1.140 11.086 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.632 1.395 9.435 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.798 4.097 10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.778 3.577 10.769 1.00 0.00 H new ATOM 256 N ASN A 20 2.220 -1.564 10.608 1.00 0.00 N ATOM 257 CA ASN A 20 3.422 -2.392 10.571 1.00 0.00 C ATOM 258 C ASN A 20 3.166 -3.690 9.806 1.00 0.00 C ATOM 259 O ASN A 20 4.028 -4.125 9.045 1.00 0.00 O ATOM 260 CB ASN A 20 3.944 -2.692 11.982 1.00 0.00 C ATOM 261 CG ASN A 20 4.297 -1.419 12.743 1.00 0.00 C ATOM 262 OD1 ASN A 20 5.268 -0.746 12.420 1.00 0.00 O ATOM 263 ND2 ASN A 20 3.500 -1.061 13.747 1.00 0.00 N ATOM 0 H ASN A 20 1.936 -1.285 11.547 1.00 0.00 H new ATOM 0 HA ASN A 20 4.191 -1.827 10.045 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.189 -3.249 12.537 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.825 -3.330 11.915 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.691 -0.206 14.270 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.698 -1.641 13.994 1.00 0.00 H new ATOM 269 N TYR A 21 1.981 -4.288 9.997 1.00 0.00 N ATOM 270 CA TYR A 21 1.585 -5.512 9.318 1.00 0.00 C ATOM 271 C TYR A 21 1.497 -5.256 7.819 1.00 0.00 C ATOM 272 O TYR A 21 2.124 -5.980 7.053 1.00 0.00 O ATOM 273 CB TYR A 21 0.264 -6.042 9.889 1.00 0.00 C ATOM 274 CG TYR A 21 -0.297 -7.263 9.184 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.121 -7.103 8.052 1.00 0.00 C ATOM 276 CD2 TYR A 21 -0.107 -8.545 9.731 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.790 -8.209 7.507 1.00 0.00 C ATOM 278 CE2 TYR A 21 -0.830 -9.638 9.223 1.00 0.00 C ATOM 279 CZ TYR A 21 -1.731 -9.449 8.163 1.00 0.00 C ATOM 280 OH TYR A 21 -2.615 -10.433 7.844 1.00 0.00 O ATOM 0 H TYR A 21 1.271 -3.926 10.634 1.00 0.00 H new ATOM 0 HA TYR A 21 2.337 -6.283 9.486 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.412 -6.285 10.941 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.478 -5.245 9.848 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.238 -6.128 7.603 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.594 -8.689 10.540 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.348 -8.107 6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.693 -10.622 9.647 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.529 -10.086 7.911 1.00 0.00 H new ATOM 289 N CYS A 22 0.749 -4.225 7.403 1.00 0.00 N ATOM 290 CA CYS A 22 0.656 -3.849 5.989 1.00 0.00 C ATOM 291 C CYS A 22 2.051 -3.793 5.384 1.00 0.00 C ATOM 292 O CYS A 22 2.347 -4.465 4.400 1.00 0.00 O ATOM 293 CB CYS A 22 0.036 -2.451 5.824 1.00 0.00 C ATOM 294 SG CYS A 22 -0.193 -1.977 4.094 1.00 0.00 S ATOM 0 H CYS A 22 0.199 -3.636 8.029 1.00 0.00 H new ATOM 0 HA CYS A 22 0.033 -4.593 5.493 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.928 -2.425 6.332 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.675 -1.716 6.314 1.00 0.00 H new ATOM 298 N ASN A 23 2.917 -3.007 6.025 1.00 0.00 N ATOM 299 CA ASN A 23 4.293 -2.817 5.618 1.00 0.00 C ATOM 300 C ASN A 23 4.995 -4.171 5.477 1.00 0.00 C ATOM 301 O ASN A 23 5.510 -4.477 4.403 1.00 0.00 O ATOM 302 CB ASN A 23 4.934 -1.817 6.597 1.00 0.00 C ATOM 303 CG ASN A 23 6.344 -2.147 7.049 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.308 -1.590 6.537 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.466 -2.997 8.063 1.00 0.00 N ATOM 0 H ASN A 23 2.667 -2.477 6.860 1.00 0.00 H new ATOM 0 HA ASN A 23 4.384 -2.377 4.625 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.944 -0.833 6.127 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.298 -1.743 7.479 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.388 -3.207 8.444 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.637 -3.439 8.460 1.00 0.00 H new ATOM 311 N ASN A 24 4.977 -5.010 6.518 1.00 0.00 N ATOM 312 CA ASN A 24 5.625 -6.299 6.530 1.00 0.00 C ATOM 313 C ASN A 24 5.212 -7.160 5.342 1.00 0.00 C ATOM 314 O ASN A 24 6.058 -7.577 4.551 1.00 0.00 O ATOM 315 CB ASN A 24 5.274 -6.990 7.849 1.00 0.00 C ATOM 316 CG ASN A 24 6.319 -8.038 8.132 1.00 0.00 C ATOM 317 OD1 ASN A 24 6.113 -9.233 7.944 1.00 0.00 O ATOM 318 ND2 ASN A 24 7.474 -7.556 8.568 1.00 0.00 N ATOM 0 H ASN A 24 4.496 -4.794 7.391 1.00 0.00 H new ATOM 0 HA ASN A 24 6.703 -6.159 6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.238 -6.263 8.660 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.286 -7.447 7.786 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.249 -8.189 8.765 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.588 -6.552 8.706 1.00 0.00 H new ATOM 324 N ILE A 25 3.905 -7.400 5.211 1.00 0.00 N ATOM 325 CA ILE A 25 3.307 -8.184 4.149 1.00 0.00 C ATOM 326 C ILE A 25 3.785 -7.654 2.805 1.00 0.00 C ATOM 327 O ILE A 25 4.175 -8.415 1.920 1.00 0.00 O ATOM 328 CB ILE A 25 1.774 -8.090 4.281 1.00 0.00 C ATOM 329 CG1 ILE A 25 1.305 -8.696 5.611 1.00 0.00 C ATOM 330 CG2 ILE A 25 1.083 -8.778 3.099 1.00 0.00 C ATOM 331 CD1 ILE A 25 1.298 -10.228 5.672 1.00 0.00 C ATOM 0 H ILE A 25 3.217 -7.037 5.870 1.00 0.00 H new ATOM 0 HA ILE A 25 3.602 -9.231 4.220 1.00 0.00 H new ATOM 0 HB ILE A 25 1.497 -7.036 4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.947 -8.321 6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.297 -8.337 5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.002 -8.699 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.386 -8.296 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.369 -9.829 3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.951 -10.551 6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.631 -10.620 4.904 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.307 -10.604 5.502 1.00 0.00 H new ATOM 342 N CYS A 26 3.771 -6.334 2.662 1.00 0.00 N ATOM 343 CA CYS A 26 4.120 -5.721 1.394 1.00 0.00 C ATOM 344 C CYS A 26 5.588 -5.909 1.035 1.00 0.00 C ATOM 345 O CYS A 26 5.911 -6.159 -0.127 1.00 0.00 O ATOM 346 CB CYS A 26 3.660 -4.274 1.316 1.00 0.00 C ATOM 347 SG CYS A 26 2.794 -3.953 -0.222 1.00 0.00 S ATOM 0 H CYS A 26 3.524 -5.677 3.402 1.00 0.00 H new ATOM 0 HA CYS A 26 3.566 -6.255 0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.005 -4.051 2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.521 -3.611 1.397 1.00 0.00 H new ATOM 351 N THR A 27 6.489 -5.844 2.016 1.00 0.00 N ATOM 352 CA THR A 27 7.871 -6.215 1.754 1.00 0.00 C ATOM 353 C THR A 27 7.960 -7.699 1.373 1.00 0.00 C ATOM 354 O THR A 27 8.714 -8.074 0.480 1.00 0.00 O ATOM 355 CB THR A 27 8.800 -5.859 2.925 1.00 0.00 C ATOM 356 OG1 THR A 27 8.641 -6.745 4.016 1.00 0.00 O ATOM 357 CG2 THR A 27 8.639 -4.423 3.439 1.00 0.00 C ATOM 0 H THR A 27 6.291 -5.546 2.971 1.00 0.00 H new ATOM 0 HA THR A 27 8.222 -5.628 0.906 1.00 0.00 H new ATOM 0 HB THR A 27 9.801 -5.954 2.505 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.691 -6.960 4.127 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.330 -4.253 4.265 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.856 -3.722 2.633 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.616 -4.273 3.785 1.00 0.00 H new ATOM 365 N LYS A 28 7.176 -8.549 2.040 1.00 0.00 N ATOM 366 CA LYS A 28 7.247 -9.993 1.903 1.00 0.00 C ATOM 367 C LYS A 28 6.803 -10.469 0.513 1.00 0.00 C ATOM 368 O LYS A 28 7.384 -11.415 -0.020 1.00 0.00 O ATOM 369 CB LYS A 28 6.414 -10.629 3.026 1.00 0.00 C ATOM 370 CG LYS A 28 6.625 -12.142 3.148 1.00 0.00 C ATOM 371 CD LYS A 28 5.775 -12.674 4.310 1.00 0.00 C ATOM 372 CE LYS A 28 5.961 -14.189 4.470 1.00 0.00 C ATOM 373 NZ LYS A 28 5.153 -14.729 5.584 1.00 0.00 N ATOM 0 H LYS A 28 6.463 -8.240 2.701 1.00 0.00 H new ATOM 0 HA LYS A 28 8.285 -10.312 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.670 -10.155 3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.358 -10.429 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.344 -12.637 2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.678 -12.362 3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.056 -12.169 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.724 -12.449 4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.681 -14.689 3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.014 -14.409 4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.307 -15.755 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.437 -14.271 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.146 -14.542 5.405 1.00 0.00 H new ATOM 383 N VAL A 29 5.734 -9.884 -0.042 1.00 0.00 N ATOM 384 CA VAL A 29 5.000 -10.411 -1.169 1.00 0.00 C ATOM 385 C VAL A 29 5.134 -9.509 -2.403 1.00 0.00 C ATOM 386 O VAL A 29 5.125 -10.002 -3.532 1.00 0.00 O ATOM 387 CB VAL A 29 3.551 -10.539 -0.679 1.00 0.00 C ATOM 388 CG1 VAL A 29 2.584 -10.758 -1.826 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.427 -11.672 0.341 1.00 0.00 C ATOM 0 H VAL A 29 5.354 -9.002 0.302 1.00 0.00 H new ATOM 0 HA VAL A 29 5.387 -11.376 -1.497 1.00 0.00 H new ATOM 0 HB VAL A 29 3.287 -9.597 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.570 -10.843 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.638 -9.914 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.848 -11.674 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.393 -11.748 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.728 -12.612 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.072 -11.465 1.195 1.00 0.00 H new ATOM 399 N TYR A 30 5.171 -8.188 -2.205 1.00 0.00 N ATOM 400 CA TYR A 30 5.200 -7.189 -3.254 1.00 0.00 C ATOM 401 C TYR A 30 6.604 -6.591 -3.410 1.00 0.00 C ATOM 402 O TYR A 30 6.945 -6.070 -4.471 1.00 0.00 O ATOM 403 CB TYR A 30 4.197 -6.099 -2.877 1.00 0.00 C ATOM 404 CG TYR A 30 2.738 -6.508 -2.784 1.00 0.00 C ATOM 405 CD1 TYR A 30 2.286 -7.246 -1.676 1.00 0.00 C ATOM 406 CD2 TYR A 30 1.801 -5.999 -3.700 1.00 0.00 C ATOM 407 CE1 TYR A 30 0.918 -7.493 -1.486 1.00 0.00 C ATOM 408 CE2 TYR A 30 0.429 -6.231 -3.502 1.00 0.00 C ATOM 409 CZ TYR A 30 -0.016 -6.963 -2.389 1.00 0.00 C ATOM 410 OH TYR A 30 -1.331 -6.925 -2.052 1.00 0.00 O ATOM 0 H TYR A 30 5.182 -7.779 -1.271 1.00 0.00 H new ATOM 0 HA TYR A 30 4.937 -7.644 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.494 -5.683 -1.914 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.278 -5.296 -3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.001 -7.628 -0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.135 -5.430 -4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.585 -8.088 -0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.288 -5.844 -4.211 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.488 -7.507 -1.279 1.00 0.00 H new ATOM 419 N TYR A 31 7.401 -6.643 -2.339 1.00 0.00 N ATOM 420 CA TYR A 31 8.761 -6.126 -2.250 1.00 0.00 C ATOM 421 C TYR A 31 8.803 -4.601 -2.158 1.00 0.00 C ATOM 422 O TYR A 31 9.775 -3.961 -2.566 1.00 0.00 O ATOM 423 CB TYR A 31 9.702 -6.784 -3.246 1.00 0.00 C ATOM 424 CG TYR A 31 9.576 -8.293 -3.292 1.00 0.00 C ATOM 425 CD1 TYR A 31 9.998 -9.045 -2.182 1.00 0.00 C ATOM 426 CD2 TYR A 31 8.783 -8.903 -4.286 1.00 0.00 C ATOM 427 CE1 TYR A 31 9.503 -10.343 -1.985 1.00 0.00 C ATOM 428 CE2 TYR A 31 8.298 -10.208 -4.092 1.00 0.00 C ATOM 429 CZ TYR A 31 8.601 -10.897 -2.907 1.00 0.00 C ATOM 430 OH TYR A 31 7.925 -12.036 -2.594 1.00 0.00 O ATOM 0 H TYR A 31 7.094 -7.071 -1.466 1.00 0.00 H new ATOM 0 HA TYR A 31 9.179 -6.433 -1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.506 -6.381 -4.240 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.729 -6.521 -2.992 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.703 -8.624 -1.481 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.549 -8.368 -5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.816 -10.916 -1.124 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.694 -10.680 -4.853 1.00 0.00 H new ATOM 0 HH TYR A 31 7.703 -12.033 -1.640 1.00 0.00 H new ATOM 439 N ALA A 32 7.764 -4.027 -1.538 1.00 0.00 N ATOM 440 CA ALA A 32 7.819 -2.731 -0.895 1.00 0.00 C ATOM 441 C ALA A 32 9.024 -2.568 0.034 1.00 0.00 C ATOM 442 O ALA A 32 9.599 -3.546 0.505 1.00 0.00 O ATOM 443 CB ALA A 32 6.523 -2.529 -0.121 1.00 0.00 C ATOM 0 H ALA A 32 6.847 -4.470 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 32 7.936 -1.974 -1.670 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.542 -1.557 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.678 -2.570 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.420 -3.314 0.628 1.00 0.00 H new ATOM 449 N THR A 33 9.357 -1.310 0.330 1.00 0.00 N ATOM 450 CA THR A 33 10.119 -0.931 1.504 1.00 0.00 C ATOM 451 C THR A 33 9.152 -0.700 2.674 1.00 0.00 C ATOM 452 O THR A 33 9.444 -1.129 3.788 1.00 0.00 O ATOM 453 CB THR A 33 11.065 0.248 1.204 1.00 0.00 C ATOM 454 OG1 THR A 33 11.743 0.634 2.380 1.00 0.00 O ATOM 455 CG2 THR A 33 10.391 1.485 0.604 1.00 0.00 C ATOM 0 H THR A 33 9.096 -0.517 -0.256 1.00 0.00 H new ATOM 0 HA THR A 33 10.787 -1.738 1.803 1.00 0.00 H new ATOM 0 HB THR A 33 11.750 -0.130 0.445 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.343 1.383 2.181 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.139 2.258 0.429 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.917 1.219 -0.341 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.637 1.860 1.296 1.00 0.00 H new ATOM 463 N SER A 34 7.980 -0.080 2.446 1.00 0.00 N ATOM 464 CA SER A 34 6.982 0.051 3.509 1.00 0.00 C ATOM 465 C SER A 34 5.559 0.209 2.959 1.00 0.00 C ATOM 466 O SER A 34 5.302 -0.149 1.815 1.00 0.00 O ATOM 467 CB SER A 34 7.377 1.182 4.470 1.00 0.00 C ATOM 468 OG SER A 34 6.673 1.032 5.685 1.00 0.00 O ATOM 0 H SER A 34 7.709 0.329 1.552 1.00 0.00 H new ATOM 0 HA SER A 34 6.968 -0.879 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.451 1.159 4.654 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.151 2.150 4.023 1.00 0.00 H new ATOM 0 HG SER A 34 6.864 0.150 6.067 1.00 0.00 H new ATOM 473 N GLY A 35 4.628 0.719 3.768 1.00 0.00 N ATOM 474 CA GLY A 35 3.187 0.690 3.514 1.00 0.00 C ATOM 475 C GLY A 35 2.460 0.823 4.842 1.00 0.00 C ATOM 476 O GLY A 35 3.097 0.800 5.893 1.00 0.00 O ATOM 0 H GLY A 35 4.865 1.179 4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.904 1.502 2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.908 -0.241 3.021 1.00 0.00 H new ATOM 480 N TYR A 36 1.140 0.996 4.795 1.00 0.00 N ATOM 481 CA TYR A 36 0.319 1.268 5.966 1.00 0.00 C ATOM 482 C TYR A 36 -1.140 1.360 5.539 1.00 0.00 C ATOM 483 O TYR A 36 -1.426 1.379 4.342 1.00 0.00 O ATOM 484 CB TYR A 36 0.788 2.562 6.662 1.00 0.00 C ATOM 485 CG TYR A 36 1.033 3.776 5.786 1.00 0.00 C ATOM 486 CD1 TYR A 36 -0.012 4.291 4.994 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.193 4.552 5.980 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.112 5.531 4.359 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.286 5.819 5.392 1.00 0.00 C ATOM 490 CZ TYR A 36 1.267 6.290 4.561 1.00 0.00 C ATOM 491 OH TYR A 36 1.399 7.503 3.982 1.00 0.00 O ATOM 0 H TYR A 36 0.606 0.950 3.927 1.00 0.00 H new ATOM 0 HA TYR A 36 0.421 0.457 6.687 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.042 2.831 7.410 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.711 2.341 7.197 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.921 3.721 4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.007 4.171 6.580 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.677 5.898 3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.151 6.436 5.582 1.00 0.00 H new ATOM 0 HH TYR A 36 1.321 7.411 3.009 1.00 0.00 H new ATOM 500 N CYS A 37 -2.050 1.493 6.506 1.00 0.00 N ATOM 501 CA CYS A 37 -3.439 1.820 6.222 1.00 0.00 C ATOM 502 C CYS A 37 -3.515 3.261 5.721 1.00 0.00 C ATOM 503 O CYS A 37 -3.633 4.191 6.518 1.00 0.00 O ATOM 504 CB CYS A 37 -4.320 1.686 7.472 1.00 0.00 C ATOM 505 SG CYS A 37 -4.590 0.059 8.208 1.00 0.00 S ATOM 0 H CYS A 37 -1.843 1.377 7.498 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.805 1.122 5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.890 2.325 8.243 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.299 2.098 7.226 1.00 0.00 H new ATOM 509 N CYS A 38 -3.462 3.467 4.405 1.00 0.00 N ATOM 510 CA CYS A 38 -3.888 4.732 3.824 1.00 0.00 C ATOM 511 C CYS A 38 -5.420 4.754 3.867 1.00 0.00 C ATOM 512 O CYS A 38 -6.029 3.703 4.053 1.00 0.00 O ATOM 513 CB CYS A 38 -3.332 4.868 2.403 1.00 0.00 C ATOM 514 SG CYS A 38 -3.778 6.379 1.519 1.00 0.00 S ATOM 0 H CYS A 38 -3.131 2.778 3.729 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.504 5.586 4.382 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.245 4.807 2.452 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.673 4.014 1.818 1.00 0.00 H new ATOM 518 N LEU A 39 -6.022 5.939 3.714 1.00 0.00 N ATOM 519 CA LEU A 39 -7.432 6.289 3.895 1.00 0.00 C ATOM 520 C LEU A 39 -8.408 5.105 3.935 1.00 0.00 C ATOM 521 O LEU A 39 -9.180 4.984 4.882 1.00 0.00 O ATOM 522 CB LEU A 39 -7.830 7.336 2.837 1.00 0.00 C ATOM 523 CG LEU A 39 -8.689 8.481 3.405 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.828 9.594 2.361 1.00 0.00 C ATOM 525 CD2 LEU A 39 -10.084 8.008 3.828 1.00 0.00 C ATOM 0 H LEU A 39 -5.479 6.755 3.433 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.520 6.711 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.927 7.755 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.380 6.842 2.036 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.180 8.855 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.437 10.401 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.841 9.978 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.306 9.196 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.651 8.852 4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.604 7.592 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.991 7.243 4.599 1.00 0.00 H new ATOM 536 N LEU A 40 -8.393 4.247 2.908 1.00 0.00 N ATOM 537 CA LEU A 40 -9.237 3.059 2.877 1.00 0.00 C ATOM 538 C LEU A 40 -8.567 1.832 2.239 1.00 0.00 C ATOM 539 O LEU A 40 -9.265 0.938 1.765 1.00 0.00 O ATOM 540 CB LEU A 40 -10.602 3.409 2.253 1.00 0.00 C ATOM 541 CG LEU A 40 -10.578 4.175 0.934 1.00 0.00 C ATOM 542 CD1 LEU A 40 -9.764 3.496 -0.175 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.009 4.422 0.444 1.00 0.00 C ATOM 0 H LEU A 40 -7.800 4.359 2.086 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.404 2.745 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.152 2.481 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.166 3.997 2.977 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.074 5.118 1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.799 4.106 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.729 3.386 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.185 2.513 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.982 4.969 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.512 3.467 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.552 5.006 1.187 1.00 0.00 H new ATOM 554 N SER A 41 -7.230 1.743 2.229 1.00 0.00 N ATOM 555 CA SER A 41 -6.526 0.560 1.734 1.00 0.00 C ATOM 556 C SER A 41 -5.083 0.530 2.236 1.00 0.00 C ATOM 557 O SER A 41 -4.521 1.566 2.586 1.00 0.00 O ATOM 558 CB SER A 41 -6.483 0.527 0.197 1.00 0.00 C ATOM 559 OG SER A 41 -7.738 0.751 -0.412 1.00 0.00 O ATOM 0 H SER A 41 -6.613 2.484 2.562 1.00 0.00 H new ATOM 0 HA SER A 41 -7.078 -0.303 2.108 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.779 1.282 -0.154 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.100 -0.441 -0.126 1.00 0.00 H new ATOM 0 HG SER A 41 -8.453 0.513 0.215 1.00 0.00 H new ATOM 564 N CYS A 42 -4.457 -0.649 2.171 1.00 0.00 N ATOM 565 CA CYS A 42 -3.009 -0.784 2.241 1.00 0.00 C ATOM 566 C CYS A 42 -2.383 -0.011 1.099 1.00 0.00 C ATOM 567 O CYS A 42 -2.450 -0.418 -0.062 1.00 0.00 O ATOM 568 CB CYS A 42 -2.592 -2.262 2.124 1.00 0.00 C ATOM 569 SG CYS A 42 -1.875 -3.067 3.568 1.00 0.00 S ATOM 0 H CYS A 42 -4.948 -1.537 2.068 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.670 -0.394 3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.472 -2.833 1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.873 -2.340 1.309 1.00 0.00 H new ATOM 573 N TYR A 43 -1.727 1.084 1.453 1.00 0.00 N ATOM 574 CA TYR A 43 -0.694 1.645 0.621 1.00 0.00 C ATOM 575 C TYR A 43 0.525 0.784 0.757 1.00 0.00 C ATOM 576 O TYR A 43 0.761 0.218 1.825 1.00 0.00 O ATOM 577 CB TYR A 43 -0.257 2.998 1.173 1.00 0.00 C ATOM 578 CG TYR A 43 0.083 4.113 0.179 1.00 0.00 C ATOM 579 CD1 TYR A 43 0.034 3.918 -1.223 1.00 0.00 C ATOM 580 CD2 TYR A 43 0.799 5.216 0.674 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.753 4.750 -2.098 1.00 0.00 C ATOM 582 CE2 TYR A 43 1.464 6.086 -0.204 1.00 0.00 C ATOM 583 CZ TYR A 43 1.427 5.868 -1.585 1.00 0.00 C ATOM 584 OH TYR A 43 2.020 6.757 -2.428 1.00 0.00 O ATOM 0 H TYR A 43 -1.899 1.598 2.317 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.073 1.721 -0.398 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.051 3.364 1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.619 2.834 1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.566 3.116 -1.627 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.838 5.396 1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.786 4.531 -3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.009 6.931 0.190 1.00 0.00 H new ATOM 0 HH TYR A 43 2.441 7.472 -1.906 1.00 0.00 H new ATOM 593 N CYS A 44 1.364 0.839 -0.265 1.00 0.00 N ATOM 594 CA CYS A 44 2.707 0.403 -0.199 1.00 0.00 C ATOM 595 C CYS A 44 3.580 1.370 -0.978 1.00 0.00 C ATOM 596 O CYS A 44 3.147 1.942 -1.980 1.00 0.00 O ATOM 597 CB CYS A 44 2.729 -0.974 -0.767 1.00 0.00 C ATOM 598 SG CYS A 44 1.941 -2.173 0.314 1.00 0.00 S ATOM 0 H CYS A 44 1.100 1.203 -1.181 1.00 0.00 H new ATOM 0 HA CYS A 44 3.097 0.380 0.819 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.225 -0.974 -1.733 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.762 -1.274 -0.946 1.00 0.00 H new ATOM 602 N PHE A 45 4.805 1.516 -0.479 1.00 0.00 N ATOM 603 CA PHE A 45 5.913 2.270 -1.010 1.00 0.00 C ATOM 604 C PHE A 45 6.986 1.230 -1.325 1.00 0.00 C ATOM 605 O PHE A 45 7.595 0.695 -0.399 1.00 0.00 O ATOM 606 CB PHE A 45 6.431 3.225 0.078 1.00 0.00 C ATOM 607 CG PHE A 45 5.449 4.265 0.593 1.00 0.00 C ATOM 608 CD1 PHE A 45 4.551 3.910 1.615 1.00 0.00 C ATOM 609 CD2 PHE A 45 5.573 5.618 0.220 1.00 0.00 C ATOM 610 CE1 PHE A 45 3.818 4.899 2.291 1.00 0.00 C ATOM 611 CE2 PHE A 45 4.864 6.614 0.920 1.00 0.00 C ATOM 612 CZ PHE A 45 4.010 6.256 1.978 1.00 0.00 C ATOM 0 H PHE A 45 5.061 1.058 0.396 1.00 0.00 H new ATOM 0 HA PHE A 45 5.640 2.858 -1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.769 2.627 0.924 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.305 3.746 -0.313 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.424 2.871 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.214 5.892 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.106 4.617 3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.976 7.652 0.644 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.503 7.021 2.548 1.00 0.00 H new ATOM 621 N GLY A 46 7.199 0.928 -2.604 1.00 0.00 N ATOM 622 CA GLY A 46 8.321 0.160 -3.126 1.00 0.00 C ATOM 623 C GLY A 46 7.927 -1.096 -3.914 1.00 0.00 C ATOM 624 O GLY A 46 8.824 -1.710 -4.489 1.00 0.00 O ATOM 0 H GLY A 46 6.560 1.229 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.916 0.806 -3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.960 -0.135 -2.294 1.00 0.00 H new ATOM 628 N LEU A 47 6.645 -1.507 -3.892 1.00 0.00 N ATOM 629 CA LEU A 47 6.062 -2.602 -4.684 1.00 0.00 C ATOM 630 C LEU A 47 6.831 -2.750 -5.996 1.00 0.00 C ATOM 631 O LEU A 47 6.800 -1.851 -6.839 1.00 0.00 O ATOM 632 CB LEU A 47 4.541 -2.445 -4.960 1.00 0.00 C ATOM 633 CG LEU A 47 3.842 -1.348 -4.148 1.00 0.00 C ATOM 634 CD1 LEU A 47 4.394 -0.005 -4.531 1.00 0.00 C ATOM 635 CD2 LEU A 47 2.320 -1.297 -4.289 1.00 0.00 C ATOM 0 H LEU A 47 5.954 -1.060 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 47 6.158 -3.506 -4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.400 -2.236 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.050 -3.396 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 47 4.046 -1.600 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.895 0.772 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.464 0.020 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.224 0.169 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.925 -0.488 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.057 -1.123 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.892 -2.244 -3.960 1.00 0.00 H new ATOM 646 N ASP A 48 7.600 -3.833 -6.065 1.00 0.00 N ATOM 647 CA ASP A 48 8.575 -4.139 -7.100 1.00 0.00 C ATOM 648 C ASP A 48 7.836 -4.891 -8.196 1.00 0.00 C ATOM 649 O ASP A 48 7.698 -4.416 -9.322 1.00 0.00 O ATOM 650 CB ASP A 48 9.688 -4.984 -6.467 1.00 0.00 C ATOM 651 CG ASP A 48 11.024 -4.815 -7.162 1.00 0.00 C ATOM 652 OD1 ASP A 48 11.095 -5.105 -8.370 1.00 0.00 O ATOM 653 OD2 ASP A 48 11.943 -4.362 -6.442 1.00 0.00 O ATOM 0 H ASP A 48 7.554 -4.563 -5.355 1.00 0.00 H new ATOM 0 HA ASP A 48 9.034 -3.249 -7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.793 -4.710 -5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.400 -6.035 -6.495 1.00 0.00 H new ATOM 657 N ASP A 49 7.261 -6.024 -7.791 1.00 0.00 N ATOM 658 CA ASP A 49 6.157 -6.635 -8.499 1.00 0.00 C ATOM 659 C ASP A 49 4.916 -5.765 -8.281 1.00 0.00 C ATOM 660 O ASP A 49 4.834 -5.013 -7.306 1.00 0.00 O ATOM 661 CB ASP A 49 5.964 -8.061 -7.971 1.00 0.00 C ATOM 662 CG ASP A 49 4.847 -8.814 -8.673 1.00 0.00 C ATOM 663 OD1 ASP A 49 4.459 -8.401 -9.786 1.00 0.00 O ATOM 664 OD2 ASP A 49 4.362 -9.777 -8.041 1.00 0.00 O ATOM 0 H ASP A 49 7.555 -6.538 -6.960 1.00 0.00 H new ATOM 0 HA ASP A 49 6.347 -6.701 -9.570 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.896 -8.614 -8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.750 -8.020 -6.903 1.00 0.00 H new ATOM 668 N ASP A 50 3.950 -5.887 -9.187 1.00 0.00 N ATOM 669 CA ASP A 50 2.707 -5.148 -9.189 1.00 0.00 C ATOM 670 C ASP A 50 1.620 -6.097 -9.687 1.00 0.00 C ATOM 671 O ASP A 50 1.438 -6.364 -10.872 1.00 0.00 O ATOM 672 CB ASP A 50 2.784 -3.928 -10.081 1.00 0.00 C ATOM 673 CG ASP A 50 1.656 -2.949 -9.807 1.00 0.00 C ATOM 674 OD1 ASP A 50 0.497 -3.411 -9.699 1.00 0.00 O ATOM 675 OD2 ASP A 50 1.979 -1.747 -9.686 1.00 0.00 O ATOM 0 H ASP A 50 4.023 -6.535 -9.972 1.00 0.00 H new ATOM 0 HA ASP A 50 2.489 -4.789 -8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.741 -3.429 -9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.748 -4.240 -11.125 1.00 0.00 H new ATOM 679 N LYS A 51 0.949 -6.649 -8.702 1.00 0.00 N ATOM 680 CA LYS A 51 -0.103 -7.637 -8.845 1.00 0.00 C ATOM 681 C LYS A 51 -1.206 -7.073 -9.743 1.00 0.00 C ATOM 682 O LYS A 51 -1.631 -7.720 -10.696 1.00 0.00 O ATOM 683 CB LYS A 51 -0.670 -8.024 -7.470 1.00 0.00 C ATOM 684 CG LYS A 51 0.354 -8.100 -6.329 1.00 0.00 C ATOM 685 CD LYS A 51 1.587 -8.944 -6.673 1.00 0.00 C ATOM 686 CE LYS A 51 2.325 -9.359 -5.389 1.00 0.00 C ATOM 687 NZ LYS A 51 3.478 -10.239 -5.666 1.00 0.00 N ATOM 0 H LYS A 51 1.130 -6.410 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 51 0.308 -8.537 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.439 -7.301 -7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.161 -8.993 -7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.674 -7.091 -6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.128 -8.518 -5.445 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.285 -9.831 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.257 -8.375 -7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.669 -8.467 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.631 -9.872 -4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.272 -9.976 -5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.211 -11.228 -5.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.765 -10.133 -6.660 1.00 0.00 H new ATOM 697 N ALA A 52 -1.661 -5.868 -9.385 1.00 0.00 N ATOM 698 CA ALA A 52 -2.715 -5.080 -10.003 1.00 0.00 C ATOM 699 C ALA A 52 -3.041 -3.931 -9.053 1.00 0.00 C ATOM 700 O ALA A 52 -4.175 -3.803 -8.590 1.00 0.00 O ATOM 701 CB ALA A 52 -3.965 -5.941 -10.214 1.00 0.00 C ATOM 0 H ALA A 52 -1.260 -5.382 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.390 -4.706 -10.974 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.747 -5.340 -10.677 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.722 -6.782 -10.863 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.316 -6.314 -9.252 1.00 0.00 H new ATOM 707 N VAL A 53 -2.035 -3.135 -8.694 1.00 0.00 N ATOM 708 CA VAL A 53 -2.205 -2.176 -7.610 1.00 0.00 C ATOM 709 C VAL A 53 -3.284 -1.151 -7.973 1.00 0.00 C ATOM 710 O VAL A 53 -3.380 -0.707 -9.117 1.00 0.00 O ATOM 711 CB VAL A 53 -0.886 -1.500 -7.219 1.00 0.00 C ATOM 712 CG1 VAL A 53 0.149 -2.543 -6.765 1.00 0.00 C ATOM 713 CG2 VAL A 53 -0.380 -0.579 -8.331 1.00 0.00 C ATOM 0 H VAL A 53 -1.112 -3.135 -9.129 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.536 -2.725 -6.729 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.065 -0.853 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.077 -2.040 -6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.236 -3.086 -5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.341 -3.243 -7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.557 -0.116 -8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.215 -1.160 -9.238 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.121 0.196 -8.527 1.00 0.00 H new ATOM 723 N LEU A 54 -4.112 -0.786 -6.998 1.00 0.00 N ATOM 724 CA LEU A 54 -5.249 0.084 -7.235 1.00 0.00 C ATOM 725 C LEU A 54 -4.827 1.524 -7.485 1.00 0.00 C ATOM 726 O LEU A 54 -3.691 1.945 -7.260 1.00 0.00 O ATOM 727 CB LEU A 54 -6.250 -0.008 -6.075 1.00 0.00 C ATOM 728 CG LEU A 54 -7.348 -1.058 -6.301 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.804 -2.388 -6.834 1.00 0.00 C ATOM 730 CD2 LEU A 54 -8.098 -1.273 -4.982 1.00 0.00 C ATOM 0 H LEU A 54 -4.011 -1.086 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.741 -0.262 -8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.712 -0.247 -5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.714 0.967 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.023 -0.681 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.628 -3.088 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.305 -2.221 -7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.092 -2.802 -6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.882 -2.017 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.401 -1.623 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.545 -0.332 -4.660 1.00 0.00 H new ATOM 741 N LYS A 55 -5.826 2.263 -7.956 1.00 0.00 N ATOM 742 CA LYS A 55 -5.739 3.621 -8.446 1.00 0.00 C ATOM 743 C LYS A 55 -6.043 4.585 -7.302 1.00 0.00 C ATOM 744 O LYS A 55 -7.187 4.718 -6.875 1.00 0.00 O ATOM 745 CB LYS A 55 -6.634 3.805 -9.686 1.00 0.00 C ATOM 746 CG LYS A 55 -8.141 3.590 -9.453 1.00 0.00 C ATOM 747 CD LYS A 55 -8.899 3.340 -10.766 1.00 0.00 C ATOM 748 CE LYS A 55 -8.803 4.533 -11.731 1.00 0.00 C ATOM 749 NZ LYS A 55 -9.597 4.318 -12.961 1.00 0.00 N ATOM 0 H LYS A 55 -6.778 1.899 -8.006 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.729 3.847 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.484 4.812 -10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.301 3.112 -10.459 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.287 2.742 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.559 4.465 -8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.498 2.450 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.947 3.138 -10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.152 5.435 -11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.759 4.700 -11.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.504 5.146 -13.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.249 3.472 -13.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.597 4.184 -12.710 1.00 0.00 H new ATOM 759 N ILE A 56 -5.000 5.228 -6.783 1.00 0.00 N ATOM 760 CA ILE A 56 -5.121 6.171 -5.686 1.00 0.00 C ATOM 761 C ILE A 56 -5.643 7.512 -6.206 1.00 0.00 C ATOM 762 O ILE A 56 -5.230 7.986 -7.262 1.00 0.00 O ATOM 763 CB ILE A 56 -3.806 6.298 -4.887 1.00 0.00 C ATOM 764 CG1 ILE A 56 -2.528 6.046 -5.711 1.00 0.00 C ATOM 765 CG2 ILE A 56 -3.841 5.300 -3.729 1.00 0.00 C ATOM 766 CD1 ILE A 56 -1.241 6.226 -4.899 1.00 0.00 C ATOM 0 H ILE A 56 -4.044 5.105 -7.117 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.853 5.790 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.754 7.332 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.557 5.034 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.512 6.727 -6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.918 5.377 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.691 5.522 -3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.939 4.289 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.378 6.034 -5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.191 7.246 -4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.237 5.526 -4.064 1.00 0.00 H new ATOM 777 N LYS A 57 -6.571 8.111 -5.454 1.00 0.00 N ATOM 778 CA LYS A 57 -7.092 9.441 -5.720 1.00 0.00 C ATOM 779 C LYS A 57 -5.998 10.440 -5.361 1.00 0.00 C ATOM 780 O LYS A 57 -5.234 10.168 -4.434 1.00 0.00 O ATOM 781 CB LYS A 57 -8.330 9.736 -4.860 1.00 0.00 C ATOM 782 CG LYS A 57 -9.357 8.587 -4.761 1.00 0.00 C ATOM 783 CD LYS A 57 -9.233 7.718 -3.492 1.00 0.00 C ATOM 784 CE LYS A 57 -9.823 8.393 -2.240 1.00 0.00 C ATOM 785 NZ LYS A 57 -9.456 7.689 -0.988 1.00 0.00 N ATOM 0 H LYS A 57 -6.984 7.672 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.382 9.514 -6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.999 9.993 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.832 10.615 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.361 9.011 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.250 7.946 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.740 6.767 -3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.182 7.492 -3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.474 9.424 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.909 8.428 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.293 7.611 -0.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.103 6.737 -1.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.714 8.224 -0.494 1.00 0.00 H new ATOM 795 N ASP A 58 -5.951 11.607 -6.010 1.00 0.00 N ATOM 796 CA ASP A 58 -4.882 12.561 -5.726 1.00 0.00 C ATOM 797 C ASP A 58 -4.885 12.887 -4.248 1.00 0.00 C ATOM 798 O ASP A 58 -3.916 12.654 -3.543 1.00 0.00 O ATOM 799 CB ASP A 58 -4.978 13.874 -6.501 1.00 0.00 C ATOM 800 CG ASP A 58 -3.685 14.650 -6.253 1.00 0.00 C ATOM 801 OD1 ASP A 58 -3.494 15.159 -5.125 1.00 0.00 O ATOM 802 OD2 ASP A 58 -2.797 14.620 -7.132 1.00 0.00 O ATOM 0 H ASP A 58 -6.623 11.906 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.961 12.073 -6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.111 13.682 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.841 14.452 -6.171 1.00 0.00 H new ATOM 806 N ALA A 59 -6.020 13.381 -3.773 1.00 0.00 N ATOM 807 CA ALA A 59 -6.161 13.740 -2.374 1.00 0.00 C ATOM 808 C ALA A 59 -5.716 12.613 -1.438 1.00 0.00 C ATOM 809 O ALA A 59 -5.126 12.895 -0.400 1.00 0.00 O ATOM 810 CB ALA A 59 -7.599 14.178 -2.085 1.00 0.00 C ATOM 0 H ALA A 59 -6.854 13.541 -4.338 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.496 14.581 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.693 14.445 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.847 15.041 -2.702 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.282 13.360 -2.314 1.00 0.00 H new ATOM 816 N THR A 60 -5.949 11.343 -1.797 1.00 0.00 N ATOM 817 CA THR A 60 -5.502 10.233 -0.973 1.00 0.00 C ATOM 818 C THR A 60 -3.979 10.071 -1.091 1.00 0.00 C ATOM 819 O THR A 60 -3.320 9.824 -0.087 1.00 0.00 O ATOM 820 CB THR A 60 -6.311 8.966 -1.326 1.00 0.00 C ATOM 821 OG1 THR A 60 -6.976 8.426 -0.202 1.00 0.00 O ATOM 822 CG2 THR A 60 -5.509 7.853 -1.991 1.00 0.00 C ATOM 0 H THR A 60 -6.441 11.069 -2.647 1.00 0.00 H new ATOM 0 HA THR A 60 -5.695 10.429 0.082 1.00 0.00 H new ATOM 0 HB THR A 60 -7.033 9.329 -2.058 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.664 7.510 -0.046 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.164 7.007 -2.200 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.082 8.220 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.707 7.535 -1.325 1.00 0.00 H new ATOM 830 N LYS A 61 -3.412 10.214 -2.296 1.00 0.00 N ATOM 831 CA LYS A 61 -1.974 10.176 -2.520 1.00 0.00 C ATOM 832 C LYS A 61 -1.321 11.232 -1.648 1.00 0.00 C ATOM 833 O LYS A 61 -0.486 10.929 -0.808 1.00 0.00 O ATOM 834 CB LYS A 61 -1.707 10.383 -4.025 1.00 0.00 C ATOM 835 CG LYS A 61 -0.504 11.228 -4.490 1.00 0.00 C ATOM 836 CD LYS A 61 -1.059 12.539 -5.061 1.00 0.00 C ATOM 837 CE LYS A 61 -0.023 13.620 -5.375 1.00 0.00 C ATOM 838 NZ LYS A 61 -0.698 14.923 -5.552 1.00 0.00 N ATOM 0 H LYS A 61 -3.952 10.361 -3.149 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.542 9.214 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.601 9.395 -4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.603 10.833 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.170 11.427 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.072 10.693 -5.246 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.608 12.312 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.778 12.947 -4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.706 13.684 -4.567 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.526 13.359 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.012 15.683 -5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.220 14.924 -6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.362 15.080 -4.767 1.00 0.00 H new ATOM 848 N SER A 62 -1.740 12.467 -1.869 1.00 0.00 N ATOM 849 CA SER A 62 -1.253 13.658 -1.194 1.00 0.00 C ATOM 850 C SER A 62 -1.318 13.455 0.325 1.00 0.00 C ATOM 851 O SER A 62 -0.303 13.560 1.013 1.00 0.00 O ATOM 852 CB SER A 62 -2.052 14.876 -1.686 1.00 0.00 C ATOM 853 OG SER A 62 -1.874 15.059 -3.087 1.00 0.00 O ATOM 0 H SER A 62 -2.464 12.676 -2.557 1.00 0.00 H new ATOM 0 HA SER A 62 -0.206 13.844 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.110 14.738 -1.463 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.728 15.770 -1.153 1.00 0.00 H new ATOM 0 HG SER A 62 -2.699 14.814 -3.556 1.00 0.00 H new ATOM 858 N TYR A 63 -2.505 13.106 0.837 1.00 0.00 N ATOM 859 CA TYR A 63 -2.720 12.749 2.237 1.00 0.00 C ATOM 860 C TYR A 63 -1.676 11.740 2.707 1.00 0.00 C ATOM 861 O TYR A 63 -1.082 11.894 3.774 1.00 0.00 O ATOM 862 CB TYR A 63 -4.120 12.135 2.394 1.00 0.00 C ATOM 863 CG TYR A 63 -4.448 11.567 3.765 1.00 0.00 C ATOM 864 CD1 TYR A 63 -4.116 12.274 4.936 1.00 0.00 C ATOM 865 CD2 TYR A 63 -5.052 10.300 3.867 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.334 11.692 6.198 1.00 0.00 C ATOM 867 CE2 TYR A 63 -5.266 9.716 5.126 1.00 0.00 C ATOM 868 CZ TYR A 63 -4.901 10.408 6.291 1.00 0.00 C ATOM 869 OH TYR A 63 -5.114 9.835 7.508 1.00 0.00 O ATOM 0 H TYR A 63 -3.356 13.064 0.276 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.632 13.651 2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.859 12.899 2.153 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.231 11.340 1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.693 13.265 4.865 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.352 9.774 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.066 12.231 7.095 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.711 8.735 5.198 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.513 8.948 7.387 1.00 0.00 H new ATOM 878 N CYS A 64 -1.497 10.681 1.918 1.00 0.00 N ATOM 879 CA CYS A 64 -0.668 9.539 2.262 1.00 0.00 C ATOM 880 C CYS A 64 0.754 9.644 1.715 1.00 0.00 C ATOM 881 O CYS A 64 1.428 8.621 1.642 1.00 0.00 O ATOM 882 CB CYS A 64 -1.360 8.248 1.798 1.00 0.00 C ATOM 883 SG CYS A 64 -2.932 7.918 2.626 1.00 0.00 S ATOM 0 H CYS A 64 -1.937 10.597 1.002 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.559 9.521 3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.532 8.307 0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.688 7.407 1.968 1.00 0.00 H new ATOM 887 N ASP A 65 1.247 10.835 1.369 1.00 0.00 N ATOM 888 CA ASP A 65 2.618 10.990 0.893 1.00 0.00 C ATOM 889 C ASP A 65 3.506 11.417 2.057 1.00 0.00 C ATOM 890 O ASP A 65 4.329 10.637 2.545 1.00 0.00 O ATOM 891 CB ASP A 65 2.685 11.985 -0.275 1.00 0.00 C ATOM 892 CG ASP A 65 4.114 12.108 -0.790 1.00 0.00 C ATOM 893 OD1 ASP A 65 4.947 12.656 -0.036 1.00 0.00 O ATOM 894 OD2 ASP A 65 4.352 11.633 -1.920 1.00 0.00 O ATOM 0 H ASP A 65 0.715 11.704 1.410 1.00 0.00 H new ATOM 0 HA ASP A 65 2.982 10.036 0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.029 11.654 -1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.324 12.961 0.050 1.00 0.00 H new ATOM 898 N VAL A 66 3.288 12.657 2.508 1.00 0.00 N ATOM 899 CA VAL A 66 4.133 13.401 3.440 1.00 0.00 C ATOM 900 C VAL A 66 4.491 12.563 4.668 1.00 0.00 C ATOM 901 O VAL A 66 5.609 12.621 5.168 1.00 0.00 O ATOM 902 CB VAL A 66 3.442 14.725 3.823 1.00 0.00 C ATOM 903 CG1 VAL A 66 4.309 15.545 4.790 1.00 0.00 C ATOM 904 CG2 VAL A 66 3.160 15.586 2.582 1.00 0.00 C ATOM 0 H VAL A 66 2.472 13.195 2.215 1.00 0.00 H new ATOM 0 HA VAL A 66 5.076 13.637 2.947 1.00 0.00 H new ATOM 0 HB VAL A 66 2.502 14.458 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.795 16.473 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.485 14.969 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.263 15.776 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.672 16.513 2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.099 15.818 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.508 15.039 1.900 1.00 0.00 H new ATOM 914 N GLN A 67 3.512 11.771 5.109 1.00 0.00 N ATOM 915 CA GLN A 67 3.601 10.683 6.064 1.00 0.00 C ATOM 916 C GLN A 67 5.006 10.076 6.137 1.00 0.00 C ATOM 917 O GLN A 67 5.628 10.073 7.198 1.00 0.00 O ATOM 918 CB GLN A 67 2.584 9.632 5.596 1.00 0.00 C ATOM 919 CG GLN A 67 1.128 10.120 5.538 1.00 0.00 C ATOM 920 CD GLN A 67 0.561 10.722 6.775 1.00 0.00 C ATOM 921 OE1 GLN A 67 0.971 10.477 7.904 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.526 11.419 6.513 1.00 0.00 N ATOM 0 H GLN A 67 2.556 11.891 4.773 1.00 0.00 H new ATOM 0 HA GLN A 67 3.389 11.046 7.070 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.874 9.283 4.605 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.637 8.773 6.265 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.051 10.856 4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.500 9.275 5.255 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.806 11.583 5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.087 11.795 7.277 1.00 0.00 H new ATOM 929 N ILE A 68 5.482 9.532 5.013 1.00 0.00 N ATOM 930 CA ILE A 68 6.773 8.896 4.861 1.00 0.00 C ATOM 931 C ILE A 68 7.622 9.684 3.851 1.00 0.00 C ATOM 932 O ILE A 68 8.811 9.892 4.084 1.00 0.00 O ATOM 933 CB ILE A 68 6.523 7.430 4.472 1.00 0.00 C ATOM 934 CG1 ILE A 68 5.971 6.735 5.728 1.00 0.00 C ATOM 935 CG2 ILE A 68 7.801 6.761 3.970 1.00 0.00 C ATOM 936 CD1 ILE A 68 5.714 5.229 5.593 1.00 0.00 C ATOM 0 H ILE A 68 4.942 9.529 4.147 1.00 0.00 H new ATOM 0 HA ILE A 68 7.350 8.898 5.786 1.00 0.00 H new ATOM 0 HB ILE A 68 5.812 7.359 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.672 6.894 6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.037 7.221 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.589 5.726 3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.170 7.293 3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.557 6.786 4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.327 4.840 6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.986 5.054 4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.647 4.721 5.347 1.00 0.00 H new ATOM 947 N ILE A 69 7.024 10.105 2.729 1.00 0.00 N ATOM 948 CA ILE A 69 7.657 10.919 1.698 1.00 0.00 C ATOM 949 C ILE A 69 7.086 12.334 1.777 1.00 0.00 C ATOM 950 O ILE A 69 7.762 13.251 2.244 1.00 0.00 O ATOM 951 CB ILE A 69 7.425 10.288 0.312 1.00 0.00 C ATOM 952 CG1 ILE A 69 7.999 8.859 0.304 1.00 0.00 C ATOM 953 CG2 ILE A 69 8.070 11.151 -0.786 1.00 0.00 C ATOM 954 CD1 ILE A 69 7.983 8.192 -1.074 1.00 0.00 C ATOM 0 H ILE A 69 6.054 9.878 2.512 1.00 0.00 H new ATOM 0 HA ILE A 69 8.734 10.966 1.856 1.00 0.00 H new ATOM 0 HB ILE A 69 6.356 10.240 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.025 8.888 0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.429 8.245 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.897 10.691 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.628 12.147 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.142 11.227 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.403 7.189 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.957 8.129 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.578 8.782 -1.771 1.00 0.00 H new