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 3 ASN : amide:sc= 1.37 K(o=0.95,f=-4.2!) USER MOD Set 1.2: A 43 TYR OH : rot 130:sc= -0.419 USER MOD Set 2.1: A 5 TYR OH : rot -15:sc= 1.05 USER MOD Set 2.2: A 41 SER OG : rot 140:sc= 1.24 USER MOD Set 2.3: A 57 LYS NZ :NH3+ 177:sc= -0.588 (180deg=-1.08) USER MOD Set 2.4: A 60 THR OG1 : rot 41:sc= 1.17 USER MOD Set 3.1: A 23 ASN : amide:sc= 1.52 X(o=2.3,f=2.3) USER MOD Set 3.2: A 34 SER OG : rot 150:sc= 0.745 USER MOD Set 4.1: A 14 SER OG : rot -149:sc= 1.11 USER MOD Set 4.2: A 21 TYR OH : rot 30:sc= 0.954 USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= 0.699 (180deg=-0.59) USER MOD Single : A 9 SER OG : rot -38:sc= 0.527 USER MOD Single : A 10 SER OG : rot 101:sc= 0.0874 USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00288) USER MOD Single : A 19 ASN : amide:sc= 0.569 K(o=0.57,f=-5.1!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 0:sc= 1.27 USER MOD Single : A 31 TYR OH : rot 51:sc= 1.2 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -21:sc= 0.687 USER MOD Single : A 51 LYS NZ :NH3+ -135:sc= 1.93 (180deg=-1.6) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 1.21 (180deg=0.914) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 1.12 K(o=1.1,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 2 7.045 1.746 -7.785 1.00 0.00 N ATOM 20 CA LYS A 2 6.453 2.986 -7.299 1.00 0.00 C ATOM 21 C LYS A 2 6.235 2.905 -5.791 1.00 0.00 C ATOM 22 O LYS A 2 6.809 2.042 -5.134 1.00 0.00 O ATOM 23 CB LYS A 2 5.127 3.158 -8.061 1.00 0.00 C ATOM 24 CG LYS A 2 4.258 1.911 -7.841 1.00 0.00 C ATOM 25 CD LYS A 2 2.829 2.032 -8.328 1.00 0.00 C ATOM 26 CE LYS A 2 2.713 2.230 -9.848 1.00 0.00 C ATOM 27 NZ LYS A 2 3.114 1.022 -10.602 1.00 0.00 N ATOM 0 HA LYS A 2 7.102 3.845 -7.472 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.604 4.048 -7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.320 3.300 -9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.727 1.066 -8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.245 1.679 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.280 1.135 -8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.351 2.872 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.685 2.490 -10.101 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.338 3.070 -10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.315 1.280 -11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.967 0.611 -10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.343 0.325 -10.576 1.00 0.00 H new ATOM 37 N ASN A 3 5.332 3.732 -5.265 1.00 0.00 N ATOM 38 CA ASN A 3 4.486 3.472 -4.123 1.00 0.00 C ATOM 39 C ASN A 3 3.050 3.446 -4.646 1.00 0.00 C ATOM 40 O ASN A 3 2.760 4.043 -5.680 1.00 0.00 O ATOM 41 CB ASN A 3 4.707 4.564 -3.083 1.00 0.00 C ATOM 42 CG ASN A 3 4.606 6.008 -3.563 1.00 0.00 C ATOM 43 OD1 ASN A 3 4.389 6.298 -4.738 1.00 0.00 O ATOM 44 ND2 ASN A 3 4.794 6.905 -2.607 1.00 0.00 N ATOM 0 H ASN A 3 5.169 4.659 -5.658 1.00 0.00 H new ATOM 0 HA ASN A 3 4.712 2.523 -3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.981 4.422 -2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.695 4.421 -2.646 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.763 7.900 -2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.970 6.601 -1.650 1.00 0.00 H new ATOM 50 N GLY A 4 2.168 2.673 -4.014 1.00 0.00 N ATOM 51 CA GLY A 4 0.891 2.310 -4.626 1.00 0.00 C ATOM 52 C GLY A 4 0.045 1.473 -3.675 1.00 0.00 C ATOM 53 O GLY A 4 0.562 0.967 -2.676 1.00 0.00 O ATOM 0 H GLY A 4 2.314 2.287 -3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.347 3.213 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.070 1.752 -5.545 1.00 0.00 H new ATOM 57 N TYR A 5 -1.245 1.314 -4.001 1.00 0.00 N ATOM 58 CA TYR A 5 -2.083 0.300 -3.378 1.00 0.00 C ATOM 59 C TYR A 5 -1.704 -1.057 -3.957 1.00 0.00 C ATOM 60 O TYR A 5 -2.035 -1.324 -5.110 1.00 0.00 O ATOM 61 CB TYR A 5 -3.583 0.537 -3.605 1.00 0.00 C ATOM 62 CG TYR A 5 -4.447 1.363 -2.661 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.916 2.262 -1.720 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.832 1.388 -2.911 1.00 0.00 C ATOM 65 CE1 TYR A 5 -4.715 3.306 -1.204 1.00 0.00 C ATOM 66 CE2 TYR A 5 -6.627 2.431 -2.412 1.00 0.00 C ATOM 67 CZ TYR A 5 -6.079 3.391 -1.551 1.00 0.00 C ATOM 68 OH TYR A 5 -6.952 4.087 -0.762 1.00 0.00 O ATOM 0 H TYR A 5 -1.726 1.882 -4.698 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.912 0.345 -2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.678 0.994 -4.590 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.046 -0.448 -3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.893 2.154 -1.390 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.286 0.598 -3.491 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.280 4.041 -0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.668 2.494 -2.693 1.00 0.00 H new ATOM 0 HH TYR A 5 -6.539 4.259 0.110 1.00 0.00 H new ATOM 77 N ALA A 6 -1.041 -1.912 -3.176 1.00 0.00 N ATOM 78 CA ALA A 6 -0.666 -3.238 -3.648 1.00 0.00 C ATOM 79 C ALA A 6 -1.823 -4.209 -3.431 1.00 0.00 C ATOM 80 O ALA A 6 -2.525 -4.119 -2.425 1.00 0.00 O ATOM 81 CB ALA A 6 0.579 -3.736 -2.918 1.00 0.00 C ATOM 0 H ALA A 6 -0.756 -1.707 -2.218 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.440 -3.179 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.843 -4.728 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.406 -3.050 -3.100 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.378 -3.786 -1.848 1.00 0.00 H new ATOM 87 N VAL A 7 -2.000 -5.154 -4.357 1.00 0.00 N ATOM 88 CA VAL A 7 -2.901 -6.281 -4.200 1.00 0.00 C ATOM 89 C VAL A 7 -2.208 -7.521 -4.752 1.00 0.00 C ATOM 90 O VAL A 7 -1.265 -7.400 -5.538 1.00 0.00 O ATOM 91 CB VAL A 7 -4.237 -6.026 -4.919 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.034 -4.933 -4.193 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.063 -5.669 -6.400 1.00 0.00 C ATOM 0 H VAL A 7 -1.509 -5.151 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.134 -6.426 -3.145 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.793 -6.963 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.977 -4.764 -4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.236 -5.249 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.456 -4.009 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.041 -5.501 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.462 -4.764 -6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.562 -6.488 -6.915 1.00 0.00 H new ATOM 103 N ASP A 8 -2.688 -8.697 -4.336 1.00 0.00 N ATOM 104 CA ASP A 8 -2.319 -9.966 -4.934 1.00 0.00 C ATOM 105 C ASP A 8 -3.314 -10.274 -6.052 1.00 0.00 C ATOM 106 O ASP A 8 -3.939 -9.375 -6.614 1.00 0.00 O ATOM 107 CB ASP A 8 -2.349 -11.058 -3.851 1.00 0.00 C ATOM 108 CG ASP A 8 -1.381 -12.184 -4.165 1.00 0.00 C ATOM 109 OD1 ASP A 8 -1.833 -13.103 -4.879 1.00 0.00 O ATOM 110 OD2 ASP A 8 -0.222 -12.071 -3.711 1.00 0.00 O ATOM 0 H ASP A 8 -3.350 -8.786 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.313 -9.926 -5.352 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.097 -10.620 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.359 -11.459 -3.766 1.00 0.00 H new ATOM 114 N SER A 9 -3.551 -11.561 -6.279 1.00 0.00 N ATOM 115 CA SER A 9 -4.630 -12.061 -7.115 1.00 0.00 C ATOM 116 C SER A 9 -5.991 -11.936 -6.414 1.00 0.00 C ATOM 117 O SER A 9 -7.009 -12.293 -7.004 1.00 0.00 O ATOM 118 CB SER A 9 -4.345 -13.520 -7.492 1.00 0.00 C ATOM 119 OG SER A 9 -5.304 -13.974 -8.430 1.00 0.00 O ATOM 0 H SER A 9 -2.981 -12.304 -5.874 1.00 0.00 H new ATOM 0 HA SER A 9 -4.678 -11.455 -8.020 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.343 -13.606 -7.913 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.371 -14.146 -6.600 1.00 0.00 H new ATOM 0 HG SER A 9 -6.183 -13.604 -8.204 1.00 0.00 H new ATOM 124 N SER A 10 -6.016 -11.488 -5.156 1.00 0.00 N ATOM 125 CA SER A 10 -7.208 -11.323 -4.347 1.00 0.00 C ATOM 126 C SER A 10 -7.913 -10.021 -4.721 1.00 0.00 C ATOM 127 O SER A 10 -9.092 -10.006 -5.070 1.00 0.00 O ATOM 128 CB SER A 10 -6.735 -11.282 -2.889 1.00 0.00 C ATOM 129 OG SER A 10 -5.630 -10.390 -2.789 1.00 0.00 O ATOM 0 H SER A 10 -5.165 -11.221 -4.660 1.00 0.00 H new ATOM 0 HA SER A 10 -7.918 -12.135 -4.504 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.545 -10.953 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.446 -12.279 -2.558 1.00 0.00 H new ATOM 0 HG SER A 10 -5.935 -9.531 -2.429 1.00 0.00 H new ATOM 134 N GLY A 11 -7.175 -8.919 -4.573 1.00 0.00 N ATOM 135 CA GLY A 11 -7.635 -7.556 -4.790 1.00 0.00 C ATOM 136 C GLY A 11 -8.860 -7.205 -3.951 1.00 0.00 C ATOM 137 O GLY A 11 -9.719 -6.438 -4.377 1.00 0.00 O ATOM 0 H GLY A 11 -6.197 -8.960 -4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.828 -6.863 -4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.872 -7.421 -5.845 1.00 0.00 H new ATOM 141 N LYS A 12 -8.894 -7.724 -2.720 1.00 0.00 N ATOM 142 CA LYS A 12 -9.711 -7.213 -1.633 1.00 0.00 C ATOM 143 C LYS A 12 -8.702 -6.567 -0.687 1.00 0.00 C ATOM 144 O LYS A 12 -7.893 -7.274 -0.088 1.00 0.00 O ATOM 145 CB LYS A 12 -10.475 -8.359 -0.948 1.00 0.00 C ATOM 146 CG LYS A 12 -11.758 -8.794 -1.677 1.00 0.00 C ATOM 147 CD LYS A 12 -11.495 -9.332 -3.092 1.00 0.00 C ATOM 148 CE LYS A 12 -12.731 -9.947 -3.760 1.00 0.00 C ATOM 149 NZ LYS A 12 -13.121 -11.238 -3.157 1.00 0.00 N ATOM 0 H LYS A 12 -8.335 -8.534 -2.452 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.472 -6.507 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.812 -9.220 -0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.734 -8.052 0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.259 -9.563 -1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.439 -7.945 -1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.123 -8.520 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.707 -10.084 -3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.565 -9.249 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.531 -10.092 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.940 -11.626 -3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.326 -11.905 -3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.372 -11.093 -2.158 1.00 0.00 H new ATOM 159 N VAL A 13 -8.670 -5.234 -0.628 1.00 0.00 N ATOM 160 CA VAL A 13 -7.629 -4.524 0.101 1.00 0.00 C ATOM 161 C VAL A 13 -7.682 -4.858 1.594 1.00 0.00 C ATOM 162 O VAL A 13 -8.753 -4.884 2.202 1.00 0.00 O ATOM 163 CB VAL A 13 -7.692 -3.007 -0.159 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.440 -2.707 -1.640 1.00 0.00 C ATOM 165 CG2 VAL A 13 -9.014 -2.361 0.281 1.00 0.00 C ATOM 0 H VAL A 13 -9.356 -4.628 -1.078 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.663 -4.865 -0.272 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.906 -2.565 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.488 -1.631 -1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.454 -3.074 -1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.199 -3.202 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.986 -1.293 0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.841 -2.818 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.155 -2.513 1.351 1.00 0.00 H new ATOM 175 N SER A 14 -6.515 -5.090 2.197 1.00 0.00 N ATOM 176 CA SER A 14 -6.416 -5.230 3.639 1.00 0.00 C ATOM 177 C SER A 14 -6.591 -3.850 4.267 1.00 0.00 C ATOM 178 O SER A 14 -5.594 -3.183 4.532 1.00 0.00 O ATOM 179 CB SER A 14 -5.060 -5.820 4.024 1.00 0.00 C ATOM 180 OG SER A 14 -4.906 -7.140 3.539 1.00 0.00 O ATOM 0 H SER A 14 -5.628 -5.184 1.703 1.00 0.00 H new ATOM 0 HA SER A 14 -7.191 -5.906 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.264 -5.191 3.626 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.957 -5.817 5.109 1.00 0.00 H new ATOM 0 HG SER A 14 -4.330 -7.647 4.148 1.00 0.00 H new ATOM 185 N GLU A 15 -7.845 -3.438 4.472 1.00 0.00 N ATOM 186 CA GLU A 15 -8.232 -2.172 5.081 1.00 0.00 C ATOM 187 C GLU A 15 -7.357 -1.863 6.304 1.00 0.00 C ATOM 188 O GLU A 15 -6.476 -1.016 6.221 1.00 0.00 O ATOM 189 CB GLU A 15 -9.735 -2.234 5.401 1.00 0.00 C ATOM 190 CG GLU A 15 -10.303 -0.849 5.709 1.00 0.00 C ATOM 191 CD GLU A 15 -11.785 -0.918 6.047 1.00 0.00 C ATOM 192 OE1 GLU A 15 -12.124 -1.744 6.922 1.00 0.00 O ATOM 193 OE2 GLU A 15 -12.547 -0.154 5.416 1.00 0.00 O ATOM 0 H GLU A 15 -8.649 -4.005 4.205 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.066 -1.343 4.393 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.270 -2.667 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.899 -2.893 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.758 -0.408 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.154 -0.194 4.850 1.00 0.00 H new ATOM 198 N CYS A 16 -7.571 -2.614 7.393 1.00 0.00 N ATOM 199 CA CYS A 16 -6.732 -2.695 8.592 1.00 0.00 C ATOM 200 C CYS A 16 -6.607 -1.410 9.425 1.00 0.00 C ATOM 201 O CYS A 16 -6.564 -0.299 8.909 1.00 0.00 O ATOM 202 CB CYS A 16 -5.355 -3.303 8.274 1.00 0.00 C ATOM 203 SG CYS A 16 -3.942 -2.564 9.131 1.00 0.00 S ATOM 0 H CYS A 16 -8.389 -3.220 7.462 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.281 -3.370 9.248 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.385 -4.366 8.515 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.185 -3.224 7.200 1.00 0.00 H new ATOM 207 N LEU A 17 -6.512 -1.586 10.750 1.00 0.00 N ATOM 208 CA LEU A 17 -6.174 -0.541 11.696 1.00 0.00 C ATOM 209 C LEU A 17 -4.680 -0.562 12.058 1.00 0.00 C ATOM 210 O LEU A 17 -4.055 0.495 12.141 1.00 0.00 O ATOM 211 CB LEU A 17 -7.109 -0.656 12.908 1.00 0.00 C ATOM 212 CG LEU A 17 -7.002 -1.947 13.740 1.00 0.00 C ATOM 213 CD1 LEU A 17 -6.101 -1.754 14.968 1.00 0.00 C ATOM 214 CD2 LEU A 17 -8.391 -2.381 14.223 1.00 0.00 C ATOM 0 H LEU A 17 -6.675 -2.489 11.195 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.331 0.439 11.245 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.918 0.191 13.567 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.136 -0.561 12.556 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.566 -2.711 13.096 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.049 -2.686 15.531 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.100 -1.470 14.644 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.513 -0.969 15.602 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.303 -3.295 14.810 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.824 -1.594 14.840 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.035 -2.563 13.363 1.00 0.00 H new ATOM 225 N LEU A 18 -4.076 -1.738 12.284 1.00 0.00 N ATOM 226 CA LEU A 18 -2.716 -1.827 12.798 1.00 0.00 C ATOM 227 C LEU A 18 -1.687 -1.662 11.674 1.00 0.00 C ATOM 228 O LEU A 18 -1.008 -2.614 11.296 1.00 0.00 O ATOM 229 CB LEU A 18 -2.546 -3.120 13.607 1.00 0.00 C ATOM 230 CG LEU A 18 -2.972 -4.385 12.838 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.855 -5.417 12.911 1.00 0.00 C ATOM 232 CD2 LEU A 18 -4.240 -5.008 13.432 1.00 0.00 C ATOM 0 H LEU A 18 -4.518 -2.642 12.115 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.530 -1.000 13.484 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.502 -3.219 13.904 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.132 -3.046 14.523 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.174 -4.095 11.807 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.152 -6.314 12.368 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.950 -5.006 12.464 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.662 -5.671 13.953 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.509 -5.898 12.863 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.058 -5.283 14.471 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.056 -4.287 13.385 1.00 0.00 H new ATOM 243 N ASN A 19 -1.594 -0.430 11.162 1.00 0.00 N ATOM 244 CA ASN A 19 -0.685 0.067 10.126 1.00 0.00 C ATOM 245 C ASN A 19 0.467 -0.865 9.722 1.00 0.00 C ATOM 246 O ASN A 19 0.549 -1.266 8.559 1.00 0.00 O ATOM 247 CB ASN A 19 -0.201 1.489 10.462 1.00 0.00 C ATOM 248 CG ASN A 19 0.595 1.630 11.757 1.00 0.00 C ATOM 249 OD1 ASN A 19 0.748 0.690 12.531 1.00 0.00 O ATOM 250 ND2 ASN A 19 1.109 2.828 12.007 1.00 0.00 N ATOM 0 H ASN A 19 -2.210 0.312 11.494 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.292 0.097 9.221 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.416 1.847 9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.070 2.145 10.518 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.646 2.985 12.860 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.967 3.592 11.346 1.00 0.00 H new ATOM 256 N ASN A 20 1.356 -1.198 10.665 1.00 0.00 N ATOM 257 CA ASN A 20 2.526 -2.048 10.469 1.00 0.00 C ATOM 258 C ASN A 20 2.223 -3.283 9.620 1.00 0.00 C ATOM 259 O ASN A 20 3.043 -3.646 8.780 1.00 0.00 O ATOM 260 CB ASN A 20 3.099 -2.480 11.823 1.00 0.00 C ATOM 261 CG ASN A 20 4.201 -3.525 11.641 1.00 0.00 C ATOM 262 OD1 ASN A 20 5.307 -3.206 11.222 1.00 0.00 O ATOM 263 ND2 ASN A 20 3.906 -4.789 11.937 1.00 0.00 N ATOM 0 H ASN A 20 1.272 -0.866 11.626 1.00 0.00 H new ATOM 0 HA ASN A 20 3.260 -1.453 9.926 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.499 -1.612 12.347 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.303 -2.889 12.445 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.609 -5.518 11.816 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.977 -5.028 12.284 1.00 0.00 H new ATOM 269 N TYR A 21 1.067 -3.919 9.842 1.00 0.00 N ATOM 270 CA TYR A 21 0.603 -5.065 9.069 1.00 0.00 C ATOM 271 C TYR A 21 0.925 -4.897 7.584 1.00 0.00 C ATOM 272 O TYR A 21 1.537 -5.770 6.973 1.00 0.00 O ATOM 273 CB TYR A 21 -0.910 -5.246 9.280 1.00 0.00 C ATOM 274 CG TYR A 21 -1.600 -6.140 8.265 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.663 -7.534 8.449 1.00 0.00 C ATOM 276 CD2 TYR A 21 -2.089 -5.578 7.072 1.00 0.00 C ATOM 277 CE1 TYR A 21 -2.240 -8.349 7.456 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.519 -6.407 6.028 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.678 -7.785 6.246 1.00 0.00 C ATOM 280 OH TYR A 21 -3.264 -8.564 5.294 1.00 0.00 O ATOM 0 H TYR A 21 0.419 -3.642 10.579 1.00 0.00 H new ATOM 0 HA TYR A 21 1.124 -5.957 9.417 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.075 -5.658 10.276 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.384 -4.265 9.258 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.269 -7.978 9.351 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.133 -4.505 6.961 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.346 -9.410 7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.728 -5.986 5.056 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.730 -9.311 5.724 1.00 0.00 H new ATOM 289 N CYS A 22 0.500 -3.777 7.003 1.00 0.00 N ATOM 290 CA CYS A 22 0.542 -3.597 5.565 1.00 0.00 C ATOM 291 C CYS A 22 1.989 -3.540 5.113 1.00 0.00 C ATOM 292 O CYS A 22 2.385 -4.317 4.252 1.00 0.00 O ATOM 293 CB CYS A 22 -0.255 -2.352 5.188 1.00 0.00 C ATOM 294 SG CYS A 22 -1.918 -2.739 4.604 1.00 0.00 S ATOM 0 H CYS A 22 0.122 -2.980 7.515 1.00 0.00 H new ATOM 0 HA CYS A 22 0.078 -4.438 5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.323 -1.693 6.054 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.280 -1.805 4.412 1.00 0.00 H new ATOM 298 N ASN A 23 2.789 -2.667 5.731 1.00 0.00 N ATOM 299 CA ASN A 23 4.223 -2.620 5.564 1.00 0.00 C ATOM 300 C ASN A 23 4.838 -4.015 5.581 1.00 0.00 C ATOM 301 O ASN A 23 5.499 -4.420 4.627 1.00 0.00 O ATOM 302 CB ASN A 23 4.774 -1.792 6.730 1.00 0.00 C ATOM 303 CG ASN A 23 6.082 -1.140 6.359 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.097 -1.798 6.163 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.027 0.176 6.238 1.00 0.00 N ATOM 0 H ASN A 23 2.437 -1.960 6.376 1.00 0.00 H new ATOM 0 HA ASN A 23 4.473 -2.178 4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.050 -1.028 7.012 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.917 -2.433 7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.860 0.699 5.968 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.151 0.668 6.415 1.00 0.00 H new ATOM 311 N ASN A 24 4.599 -4.751 6.671 1.00 0.00 N ATOM 312 CA ASN A 24 5.178 -6.043 6.936 1.00 0.00 C ATOM 313 C ASN A 24 4.914 -7.015 5.792 1.00 0.00 C ATOM 314 O ASN A 24 5.847 -7.551 5.200 1.00 0.00 O ATOM 315 CB ASN A 24 4.596 -6.544 8.259 1.00 0.00 C ATOM 316 CG ASN A 24 5.588 -7.460 8.936 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.525 -8.679 8.827 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.533 -6.842 9.635 1.00 0.00 N ATOM 0 H ASN A 24 3.971 -4.439 7.412 1.00 0.00 H new ATOM 0 HA ASN A 24 6.262 -5.966 7.015 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.364 -5.700 8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.661 -7.074 8.079 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.252 -7.386 10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.540 -5.824 9.694 1.00 0.00 H new ATOM 324 N ILE A 25 3.637 -7.215 5.450 1.00 0.00 N ATOM 325 CA ILE A 25 3.220 -8.048 4.335 1.00 0.00 C ATOM 326 C ILE A 25 3.942 -7.597 3.073 1.00 0.00 C ATOM 327 O ILE A 25 4.438 -8.414 2.299 1.00 0.00 O ATOM 328 CB ILE A 25 1.696 -7.912 4.171 1.00 0.00 C ATOM 329 CG1 ILE A 25 0.964 -8.446 5.410 1.00 0.00 C ATOM 330 CG2 ILE A 25 1.183 -8.574 2.890 1.00 0.00 C ATOM 331 CD1 ILE A 25 0.836 -9.972 5.478 1.00 0.00 C ATOM 0 H ILE A 25 2.857 -6.792 5.953 1.00 0.00 H new ATOM 0 HA ILE A 25 3.470 -9.093 4.518 1.00 0.00 H new ATOM 0 HB ILE A 25 1.478 -6.848 4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.489 -8.100 6.301 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.035 -8.011 5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.102 -8.449 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.656 -8.109 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.425 -9.637 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.305 -10.252 6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.282 -10.330 4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.829 -10.421 5.485 1.00 0.00 H new ATOM 342 N CYS A 26 3.980 -6.286 2.857 1.00 0.00 N ATOM 343 CA CYS A 26 4.451 -5.752 1.592 1.00 0.00 C ATOM 344 C CYS A 26 5.933 -6.005 1.356 1.00 0.00 C ATOM 345 O CYS A 26 6.320 -6.398 0.256 1.00 0.00 O ATOM 346 CB CYS A 26 4.041 -4.296 1.363 1.00 0.00 C ATOM 347 SG CYS A 26 3.493 -4.116 -0.345 1.00 0.00 S ATOM 0 H CYS A 26 3.692 -5.582 3.537 1.00 0.00 H new ATOM 0 HA CYS A 26 3.932 -6.321 0.820 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.241 -4.016 2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.881 -3.630 1.563 1.00 0.00 H new ATOM 351 N THR A 27 6.762 -5.835 2.385 1.00 0.00 N ATOM 352 CA THR A 27 8.162 -6.232 2.294 1.00 0.00 C ATOM 353 C THR A 27 8.302 -7.757 2.297 1.00 0.00 C ATOM 354 O THR A 27 9.271 -8.265 1.743 1.00 0.00 O ATOM 355 CB THR A 27 9.036 -5.580 3.377 1.00 0.00 C ATOM 356 OG1 THR A 27 10.398 -5.913 3.174 1.00 0.00 O ATOM 357 CG2 THR A 27 8.622 -6.002 4.779 1.00 0.00 C ATOM 0 H THR A 27 6.491 -5.430 3.281 1.00 0.00 H new ATOM 0 HA THR A 27 8.534 -5.861 1.339 1.00 0.00 H new ATOM 0 HB THR A 27 8.897 -4.502 3.292 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.945 -5.491 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.268 -5.516 5.511 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.587 -5.709 4.957 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.714 -7.084 4.875 1.00 0.00 H new ATOM 365 N LYS A 28 7.398 -8.491 2.956 1.00 0.00 N ATOM 366 CA LYS A 28 7.520 -9.937 3.085 1.00 0.00 C ATOM 367 C LYS A 28 7.345 -10.618 1.724 1.00 0.00 C ATOM 368 O LYS A 28 8.128 -11.499 1.369 1.00 0.00 O ATOM 369 CB LYS A 28 6.499 -10.454 4.114 1.00 0.00 C ATOM 370 CG LYS A 28 6.660 -11.935 4.484 1.00 0.00 C ATOM 371 CD LYS A 28 7.907 -12.166 5.349 1.00 0.00 C ATOM 372 CE LYS A 28 7.935 -13.607 5.878 1.00 0.00 C ATOM 373 NZ LYS A 28 9.094 -13.848 6.764 1.00 0.00 N ATOM 0 H LYS A 28 6.572 -8.099 3.408 1.00 0.00 H new ATOM 0 HA LYS A 28 8.520 -10.183 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.582 -9.855 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.495 -10.298 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.775 -12.275 5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.730 -12.533 3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.805 -11.970 4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.912 -11.466 6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.013 -13.811 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.970 -14.301 5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.076 -14.832 7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.975 -13.678 6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.048 -13.204 7.579 1.00 0.00 H new ATOM 383 N VAL A 29 6.286 -10.253 0.996 1.00 0.00 N ATOM 384 CA VAL A 29 5.815 -10.928 -0.179 1.00 0.00 C ATOM 385 C VAL A 29 6.294 -10.203 -1.439 1.00 0.00 C ATOM 386 O VAL A 29 6.882 -10.821 -2.320 1.00 0.00 O ATOM 387 CB VAL A 29 4.284 -10.958 -0.047 1.00 0.00 C ATOM 388 CG1 VAL A 29 3.699 -11.639 -1.263 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.825 -11.725 1.201 1.00 0.00 C ATOM 0 H VAL A 29 5.719 -9.439 1.235 1.00 0.00 H new ATOM 0 HA VAL A 29 6.204 -11.942 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 29 3.941 -9.927 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.613 -11.665 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.980 -11.087 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.082 -12.657 -1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.736 -11.719 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.180 -12.754 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.232 -11.247 2.092 1.00 0.00 H new ATOM 399 N TYR A 30 5.997 -8.907 -1.554 1.00 0.00 N ATOM 400 CA TYR A 30 6.185 -8.135 -2.765 1.00 0.00 C ATOM 401 C TYR A 30 7.520 -7.388 -2.780 1.00 0.00 C ATOM 402 O TYR A 30 7.973 -6.981 -3.847 1.00 0.00 O ATOM 403 CB TYR A 30 5.016 -7.158 -2.849 1.00 0.00 C ATOM 404 CG TYR A 30 3.643 -7.803 -2.796 1.00 0.00 C ATOM 405 CD1 TYR A 30 3.298 -8.849 -3.672 1.00 0.00 C ATOM 406 CD2 TYR A 30 2.761 -7.450 -1.762 1.00 0.00 C ATOM 407 CE1 TYR A 30 2.103 -9.564 -3.476 1.00 0.00 C ATOM 408 CE2 TYR A 30 1.599 -8.195 -1.532 1.00 0.00 C ATOM 409 CZ TYR A 30 1.283 -9.276 -2.370 1.00 0.00 C ATOM 410 OH TYR A 30 0.246 -10.091 -2.040 1.00 0.00 O ATOM 0 H TYR A 30 5.610 -8.360 -0.784 1.00 0.00 H new ATOM 0 HA TYR A 30 6.211 -8.801 -3.627 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.098 -6.443 -2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.100 -6.591 -3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.951 -9.102 -4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.981 -6.596 -1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.815 -10.335 -4.175 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.946 -7.939 -0.711 1.00 0.00 H new ATOM 0 HH TYR A 30 0.202 -10.838 -2.673 1.00 0.00 H new ATOM 419 N TYR A 31 8.120 -7.190 -1.604 1.00 0.00 N ATOM 420 CA TYR A 31 9.391 -6.511 -1.394 1.00 0.00 C ATOM 421 C TYR A 31 9.285 -4.994 -1.550 1.00 0.00 C ATOM 422 O TYR A 31 10.251 -4.344 -1.943 1.00 0.00 O ATOM 423 CB TYR A 31 10.543 -7.165 -2.144 1.00 0.00 C ATOM 424 CG TYR A 31 10.631 -8.664 -1.929 1.00 0.00 C ATOM 425 CD1 TYR A 31 10.961 -9.147 -0.650 1.00 0.00 C ATOM 426 CD2 TYR A 31 10.138 -9.555 -2.902 1.00 0.00 C ATOM 427 CE1 TYR A 31 10.614 -10.457 -0.284 1.00 0.00 C ATOM 428 CE2 TYR A 31 9.870 -10.892 -2.555 1.00 0.00 C ATOM 429 CZ TYR A 31 10.008 -11.307 -1.221 1.00 0.00 C ATOM 430 OH TYR A 31 9.456 -12.480 -0.806 1.00 0.00 O ATOM 0 H TYR A 31 7.707 -7.518 -0.731 1.00 0.00 H new ATOM 0 HA TYR A 31 9.654 -6.648 -0.345 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.433 -6.965 -3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.479 -6.705 -1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.481 -8.510 0.050 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.966 -9.213 -3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.813 -10.810 0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.559 -11.597 -3.312 1.00 0.00 H new ATOM 0 HH TYR A 31 8.857 -12.310 -0.049 1.00 0.00 H new ATOM 439 N ALA A 32 8.143 -4.407 -1.165 1.00 0.00 N ATOM 440 CA ALA A 32 8.058 -2.980 -0.967 1.00 0.00 C ATOM 441 C ALA A 32 8.794 -2.637 0.322 1.00 0.00 C ATOM 442 O ALA A 32 8.600 -3.296 1.337 1.00 0.00 O ATOM 443 CB ALA A 32 6.587 -2.603 -0.905 1.00 0.00 C ATOM 0 H ALA A 32 7.274 -4.911 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 32 8.520 -2.421 -1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.493 -1.527 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.100 -2.884 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.112 -3.127 -0.076 1.00 0.00 H new ATOM 449 N THR A 33 9.644 -1.614 0.280 1.00 0.00 N ATOM 450 CA THR A 33 10.472 -1.189 1.397 1.00 0.00 C ATOM 451 C THR A 33 9.622 -0.568 2.515 1.00 0.00 C ATOM 452 O THR A 33 10.019 -0.598 3.677 1.00 0.00 O ATOM 453 CB THR A 33 11.611 -0.283 0.890 1.00 0.00 C ATOM 454 OG1 THR A 33 12.519 0.002 1.933 1.00 0.00 O ATOM 455 CG2 THR A 33 11.136 1.042 0.280 1.00 0.00 C ATOM 0 H THR A 33 9.777 -1.045 -0.556 1.00 0.00 H new ATOM 0 HA THR A 33 10.948 -2.056 1.854 1.00 0.00 H new ATOM 0 HB THR A 33 12.093 -0.851 0.094 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.237 0.577 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.999 1.620 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.486 0.838 -0.571 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.585 1.611 1.029 1.00 0.00 H new ATOM 463 N SER A 34 8.443 -0.017 2.191 1.00 0.00 N ATOM 464 CA SER A 34 7.503 0.439 3.211 1.00 0.00 C ATOM 465 C SER A 34 6.059 0.287 2.723 1.00 0.00 C ATOM 466 O SER A 34 5.820 -0.460 1.775 1.00 0.00 O ATOM 467 CB SER A 34 7.870 1.861 3.669 1.00 0.00 C ATOM 468 OG SER A 34 7.127 2.224 4.818 1.00 0.00 O ATOM 0 H SER A 34 8.124 0.121 1.232 1.00 0.00 H new ATOM 0 HA SER A 34 7.577 -0.192 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.937 1.914 3.888 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.674 2.570 2.864 1.00 0.00 H new ATOM 0 HG SER A 34 7.651 2.847 5.363 1.00 0.00 H new ATOM 473 N GLY A 35 5.107 0.978 3.362 1.00 0.00 N ATOM 474 CA GLY A 35 3.663 0.780 3.225 1.00 0.00 C ATOM 475 C GLY A 35 3.002 0.996 4.571 1.00 0.00 C ATOM 476 O GLY A 35 3.680 1.307 5.547 1.00 0.00 O ATOM 0 H GLY A 35 5.336 1.724 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.256 1.475 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.454 -0.226 2.861 1.00 0.00 H new ATOM 480 N TYR A 36 1.685 0.828 4.617 1.00 0.00 N ATOM 481 CA TYR A 36 0.872 0.962 5.815 1.00 0.00 C ATOM 482 C TYR A 36 -0.592 0.865 5.412 1.00 0.00 C ATOM 483 O TYR A 36 -0.925 0.850 4.226 1.00 0.00 O ATOM 484 CB TYR A 36 1.164 2.266 6.587 1.00 0.00 C ATOM 485 CG TYR A 36 1.285 3.515 5.741 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.253 3.896 4.863 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.456 4.286 5.809 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.465 4.927 3.940 1.00 0.00 C ATOM 489 CE2 TYR A 36 2.619 5.382 4.956 1.00 0.00 C ATOM 490 CZ TYR A 36 1.657 5.662 3.980 1.00 0.00 C ATOM 491 OH TYR A 36 1.941 6.596 3.039 1.00 0.00 O ATOM 0 H TYR A 36 1.137 0.586 3.791 1.00 0.00 H new ATOM 0 HA TYR A 36 1.122 0.155 6.504 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.370 2.420 7.318 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.091 2.136 7.146 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.702 3.393 4.901 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.230 4.033 6.519 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.288 5.155 3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.490 6.014 5.051 1.00 0.00 H new ATOM 0 HH TYR A 36 1.404 6.426 2.237 1.00 0.00 H new ATOM 500 N CYS A 37 -1.459 0.810 6.416 1.00 0.00 N ATOM 501 CA CYS A 37 -2.898 0.796 6.245 1.00 0.00 C ATOM 502 C CYS A 37 -3.335 2.245 6.035 1.00 0.00 C ATOM 503 O CYS A 37 -3.569 2.982 6.992 1.00 0.00 O ATOM 504 CB CYS A 37 -3.542 0.089 7.445 1.00 0.00 C ATOM 505 SG CYS A 37 -2.895 -1.598 7.626 1.00 0.00 S ATOM 0 H CYS A 37 -1.169 0.773 7.393 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.226 0.228 5.374 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.347 0.657 8.355 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.624 0.056 7.315 1.00 0.00 H new ATOM 509 N CYS A 38 -3.354 2.672 4.769 1.00 0.00 N ATOM 510 CA CYS A 38 -3.850 3.976 4.342 1.00 0.00 C ATOM 511 C CYS A 38 -5.366 4.013 4.586 1.00 0.00 C ATOM 512 O CYS A 38 -5.952 2.965 4.835 1.00 0.00 O ATOM 513 CB CYS A 38 -3.498 4.169 2.858 1.00 0.00 C ATOM 514 SG CYS A 38 -4.011 5.723 2.084 1.00 0.00 S ATOM 0 H CYS A 38 -3.015 2.102 3.994 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.393 4.790 4.904 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.417 4.079 2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.942 3.348 2.295 1.00 0.00 H new ATOM 518 N LEU A 39 -5.988 5.200 4.509 1.00 0.00 N ATOM 519 CA LEU A 39 -7.377 5.529 4.837 1.00 0.00 C ATOM 520 C LEU A 39 -8.318 4.331 4.994 1.00 0.00 C ATOM 521 O LEU A 39 -8.944 4.172 6.039 1.00 0.00 O ATOM 522 CB LEU A 39 -7.919 6.521 3.789 1.00 0.00 C ATOM 523 CG LEU A 39 -8.387 7.844 4.416 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.662 8.877 3.318 1.00 0.00 C ATOM 525 CD2 LEU A 39 -9.657 7.639 5.250 1.00 0.00 C ATOM 0 H LEU A 39 -5.483 6.025 4.186 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.355 5.979 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.142 6.727 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.751 6.062 3.255 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.594 8.205 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.993 9.811 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.750 9.054 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.439 8.502 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.966 8.591 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.453 7.254 4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.456 6.926 6.050 1.00 0.00 H new ATOM 536 N LEU A 40 -8.435 3.518 3.942 1.00 0.00 N ATOM 537 CA LEU A 40 -9.187 2.274 3.963 1.00 0.00 C ATOM 538 C LEU A 40 -8.580 1.277 2.971 1.00 0.00 C ATOM 539 O LEU A 40 -9.299 0.587 2.250 1.00 0.00 O ATOM 540 CB LEU A 40 -10.686 2.566 3.731 1.00 0.00 C ATOM 541 CG LEU A 40 -11.047 3.478 2.552 1.00 0.00 C ATOM 542 CD1 LEU A 40 -11.443 2.716 1.283 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.180 4.434 2.944 1.00 0.00 C ATOM 0 H LEU A 40 -8.001 3.714 3.040 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.118 1.799 4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.198 1.614 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.088 3.014 4.640 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.140 4.036 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.685 3.426 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.613 2.086 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.313 2.093 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.425 5.075 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.060 3.858 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.862 5.050 3.785 1.00 0.00 H new ATOM 554 N SER A 41 -7.246 1.226 2.855 1.00 0.00 N ATOM 555 CA SER A 41 -6.583 0.368 1.878 1.00 0.00 C ATOM 556 C SER A 41 -5.107 0.164 2.226 1.00 0.00 C ATOM 557 O SER A 41 -4.574 0.846 3.096 1.00 0.00 O ATOM 558 CB SER A 41 -6.679 0.984 0.480 1.00 0.00 C ATOM 559 OG SER A 41 -7.880 1.708 0.254 1.00 0.00 O ATOM 0 H SER A 41 -6.607 1.774 3.431 1.00 0.00 H new ATOM 0 HA SER A 41 -7.088 -0.598 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.830 1.650 0.328 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.599 0.190 -0.263 1.00 0.00 H new ATOM 0 HG SER A 41 -7.682 2.518 -0.261 1.00 0.00 H new ATOM 564 N CYS A 42 -4.436 -0.734 1.497 1.00 0.00 N ATOM 565 CA CYS A 42 -3.090 -1.186 1.825 1.00 0.00 C ATOM 566 C CYS A 42 -2.035 -0.639 0.878 1.00 0.00 C ATOM 567 O CYS A 42 -1.912 -1.060 -0.276 1.00 0.00 O ATOM 568 CB CYS A 42 -3.076 -2.712 1.844 1.00 0.00 C ATOM 569 SG CYS A 42 -1.653 -3.442 2.671 1.00 0.00 S ATOM 0 H CYS A 42 -4.819 -1.168 0.657 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.831 -0.797 2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.984 -3.064 2.334 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.107 -3.075 0.817 1.00 0.00 H new ATOM 573 N TYR A 43 -1.285 0.330 1.395 1.00 0.00 N ATOM 574 CA TYR A 43 -0.250 1.029 0.679 1.00 0.00 C ATOM 575 C TYR A 43 1.067 0.336 0.862 1.00 0.00 C ATOM 576 O TYR A 43 1.308 -0.269 1.909 1.00 0.00 O ATOM 577 CB TYR A 43 -0.065 2.411 1.286 1.00 0.00 C ATOM 578 CG TYR A 43 0.419 3.471 0.308 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.167 3.622 -0.964 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.588 4.186 0.608 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.398 4.485 -1.916 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.125 5.087 -0.321 1.00 0.00 C ATOM 583 CZ TYR A 43 1.487 5.287 -1.556 1.00 0.00 C ATOM 584 OH TYR A 43 1.941 6.233 -2.421 1.00 0.00 O ATOM 0 H TYR A 43 -1.393 0.653 2.357 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.540 1.069 -0.371 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.013 2.736 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.648 2.340 2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.061 3.068 -1.209 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.077 4.041 1.560 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.004 4.530 -2.917 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.030 5.628 -0.087 1.00 0.00 H new ATOM 0 HH TYR A 43 2.026 7.090 -1.953 1.00 0.00 H new ATOM 593 N CYS A 44 1.939 0.540 -0.118 1.00 0.00 N ATOM 594 CA CYS A 44 3.281 0.078 -0.148 1.00 0.00 C ATOM 595 C CYS A 44 4.153 1.168 -0.772 1.00 0.00 C ATOM 596 O CYS A 44 3.624 2.043 -1.460 1.00 0.00 O ATOM 597 CB CYS A 44 3.221 -1.173 -0.970 1.00 0.00 C ATOM 598 SG CYS A 44 2.242 -2.496 -0.243 1.00 0.00 S ATOM 0 H CYS A 44 1.691 1.068 -0.955 1.00 0.00 H new ATOM 0 HA CYS A 44 3.715 -0.134 0.829 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.810 -0.930 -1.950 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.236 -1.536 -1.132 1.00 0.00 H new ATOM 602 N PHE A 45 5.472 1.099 -0.556 1.00 0.00 N ATOM 603 CA PHE A 45 6.500 1.902 -1.187 1.00 0.00 C ATOM 604 C PHE A 45 7.597 0.950 -1.638 1.00 0.00 C ATOM 605 O PHE A 45 8.137 0.238 -0.799 1.00 0.00 O ATOM 606 CB PHE A 45 7.117 2.876 -0.186 1.00 0.00 C ATOM 607 CG PHE A 45 6.226 3.986 0.331 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.260 3.683 1.301 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.497 5.333 0.018 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.622 4.706 2.013 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.810 6.362 0.687 1.00 0.00 C ATOM 612 CZ PHE A 45 4.885 6.047 1.697 1.00 0.00 C ATOM 0 H PHE A 45 5.865 0.434 0.110 1.00 0.00 H new ATOM 0 HA PHE A 45 6.067 2.466 -2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.474 2.302 0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.991 3.332 -0.651 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.006 2.652 1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.232 5.575 -0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.928 4.463 2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.993 7.394 0.425 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.377 6.837 2.230 1.00 0.00 H new ATOM 621 N GLY A 46 7.924 0.941 -2.927 1.00 0.00 N ATOM 622 CA GLY A 46 8.909 0.070 -3.545 1.00 0.00 C ATOM 623 C GLY A 46 8.260 -1.152 -4.197 1.00 0.00 C ATOM 624 O GLY A 46 8.832 -2.237 -4.155 1.00 0.00 O ATOM 0 H GLY A 46 7.486 1.572 -3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.467 0.629 -4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.627 -0.258 -2.793 1.00 0.00 H new ATOM 628 N LEU A 47 7.077 -1.001 -4.806 1.00 0.00 N ATOM 629 CA LEU A 47 6.377 -2.024 -5.553 1.00 0.00 C ATOM 630 C LEU A 47 7.150 -2.283 -6.842 1.00 0.00 C ATOM 631 O LEU A 47 6.702 -1.897 -7.916 1.00 0.00 O ATOM 632 CB LEU A 47 4.960 -1.501 -5.847 1.00 0.00 C ATOM 633 CG LEU A 47 4.185 -1.101 -4.580 1.00 0.00 C ATOM 634 CD1 LEU A 47 4.688 0.070 -3.798 1.00 0.00 C ATOM 635 CD2 LEU A 47 2.698 -0.896 -4.869 1.00 0.00 C ATOM 0 H LEU A 47 6.568 -0.117 -4.783 1.00 0.00 H new ATOM 0 HA LEU A 47 6.303 -2.959 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.029 -0.639 -6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.400 -2.269 -6.380 1.00 0.00 H new ATOM 0 HG LEU A 47 4.359 -1.964 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.044 0.234 -2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.705 -0.128 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.682 0.959 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.184 -0.614 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.577 -0.105 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.271 -1.822 -5.254 1.00 0.00 H new ATOM 646 N ASP A 48 8.353 -2.849 -6.718 1.00 0.00 N ATOM 647 CA ASP A 48 9.322 -2.871 -7.800 1.00 0.00 C ATOM 648 C ASP A 48 8.779 -3.714 -8.948 1.00 0.00 C ATOM 649 O ASP A 48 8.645 -3.247 -10.077 1.00 0.00 O ATOM 650 CB ASP A 48 10.697 -3.340 -7.307 1.00 0.00 C ATOM 651 CG ASP A 48 11.780 -2.643 -8.111 1.00 0.00 C ATOM 652 OD1 ASP A 48 11.885 -1.401 -7.991 1.00 0.00 O ATOM 653 OD2 ASP A 48 12.460 -3.288 -8.939 1.00 0.00 O ATOM 0 H ASP A 48 8.676 -3.302 -5.863 1.00 0.00 H new ATOM 0 HA ASP A 48 9.474 -1.859 -8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.813 -3.115 -6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.786 -4.421 -7.415 1.00 0.00 H new ATOM 657 N ASP A 49 8.394 -4.942 -8.600 1.00 0.00 N ATOM 658 CA ASP A 49 7.375 -5.685 -9.312 1.00 0.00 C ATOM 659 C ASP A 49 6.009 -5.050 -9.045 1.00 0.00 C ATOM 660 O ASP A 49 5.689 -4.676 -7.914 1.00 0.00 O ATOM 661 CB ASP A 49 7.366 -7.111 -8.785 1.00 0.00 C ATOM 662 CG ASP A 49 6.138 -7.876 -9.239 1.00 0.00 C ATOM 663 OD1 ASP A 49 5.735 -7.690 -10.405 1.00 0.00 O ATOM 664 OD2 ASP A 49 5.529 -8.493 -8.336 1.00 0.00 O ATOM 0 H ASP A 49 8.790 -5.447 -7.807 1.00 0.00 H new ATOM 0 HA ASP A 49 7.581 -5.675 -10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.262 -7.629 -9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.401 -7.095 -7.696 1.00 0.00 H new ATOM 668 N ASP A 50 5.150 -5.088 -10.053 1.00 0.00 N ATOM 669 CA ASP A 50 3.902 -4.352 -10.143 1.00 0.00 C ATOM 670 C ASP A 50 2.836 -5.261 -10.763 1.00 0.00 C ATOM 671 O ASP A 50 2.721 -5.443 -11.972 1.00 0.00 O ATOM 672 CB ASP A 50 4.082 -3.080 -10.967 1.00 0.00 C ATOM 673 CG ASP A 50 3.555 -1.814 -10.310 1.00 0.00 C ATOM 674 OD1 ASP A 50 2.363 -1.481 -10.491 1.00 0.00 O ATOM 675 OD2 ASP A 50 4.366 -1.048 -9.747 1.00 0.00 O ATOM 0 H ASP A 50 5.317 -5.667 -10.876 1.00 0.00 H new ATOM 0 HA ASP A 50 3.583 -4.050 -9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.143 -2.948 -11.178 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.580 -3.211 -11.926 1.00 0.00 H new ATOM 679 N LYS A 51 2.067 -5.844 -9.866 1.00 0.00 N ATOM 680 CA LYS A 51 0.954 -6.739 -10.125 1.00 0.00 C ATOM 681 C LYS A 51 -0.118 -6.010 -10.935 1.00 0.00 C ATOM 682 O LYS A 51 -0.390 -6.352 -12.083 1.00 0.00 O ATOM 683 CB LYS A 51 0.378 -7.220 -8.781 1.00 0.00 C ATOM 684 CG LYS A 51 1.201 -8.338 -8.134 1.00 0.00 C ATOM 685 CD LYS A 51 2.686 -8.011 -7.935 1.00 0.00 C ATOM 686 CE LYS A 51 2.983 -6.995 -6.820 1.00 0.00 C ATOM 687 NZ LYS A 51 4.438 -6.767 -6.701 1.00 0.00 N ATOM 0 H LYS A 51 2.212 -5.696 -8.867 1.00 0.00 H new ATOM 0 HA LYS A 51 1.294 -7.600 -10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.323 -6.375 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.642 -7.572 -8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.763 -8.578 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.120 -9.233 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.220 -8.935 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.087 -7.626 -8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.478 -6.053 -7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.588 -7.360 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.711 -6.782 -5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.950 -7.516 -7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.679 -5.843 -7.112 1.00 0.00 H new ATOM 697 N ALA A 52 -0.751 -5.032 -10.287 1.00 0.00 N ATOM 698 CA ALA A 52 -1.932 -4.323 -10.755 1.00 0.00 C ATOM 699 C ALA A 52 -2.335 -3.364 -9.642 1.00 0.00 C ATOM 700 O ALA A 52 -3.363 -3.557 -8.997 1.00 0.00 O ATOM 701 CB ALA A 52 -3.072 -5.312 -11.042 1.00 0.00 C ATOM 0 H ALA A 52 -0.434 -4.700 -9.376 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.724 -3.786 -11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.948 -4.766 -11.391 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.756 -6.019 -11.809 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.322 -5.854 -10.130 1.00 0.00 H new ATOM 707 N VAL A 53 -1.484 -2.377 -9.353 1.00 0.00 N ATOM 708 CA VAL A 53 -1.738 -1.515 -8.207 1.00 0.00 C ATOM 709 C VAL A 53 -3.038 -0.746 -8.414 1.00 0.00 C ATOM 710 O VAL A 53 -3.391 -0.388 -9.538 1.00 0.00 O ATOM 711 CB VAL A 53 -0.557 -0.591 -7.878 1.00 0.00 C ATOM 712 CG1 VAL A 53 0.680 -1.452 -7.613 1.00 0.00 C ATOM 713 CG2 VAL A 53 -0.293 0.455 -8.963 1.00 0.00 C ATOM 0 H VAL A 53 -0.638 -2.162 -9.881 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.851 -2.152 -7.330 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.809 -0.019 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.528 -0.808 -7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.486 -2.118 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.909 -2.043 -8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.553 1.077 -8.671 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.068 -0.046 -9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.177 1.081 -9.088 1.00 0.00 H new ATOM 723 N LEU A 54 -3.773 -0.521 -7.330 1.00 0.00 N ATOM 724 CA LEU A 54 -5.083 0.085 -7.436 1.00 0.00 C ATOM 725 C LEU A 54 -4.984 1.580 -7.704 1.00 0.00 C ATOM 726 O LEU A 54 -3.951 2.226 -7.543 1.00 0.00 O ATOM 727 CB LEU A 54 -5.913 -0.208 -6.187 1.00 0.00 C ATOM 728 CG LEU A 54 -6.713 -1.516 -6.287 1.00 0.00 C ATOM 729 CD1 LEU A 54 -5.869 -2.699 -6.768 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.314 -1.841 -4.917 1.00 0.00 C ATOM 0 H LEU A 54 -3.482 -0.749 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.594 -0.359 -8.290 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.251 -0.259 -5.322 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.601 0.619 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.495 -1.362 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.491 -3.593 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.467 -2.481 -7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.047 -2.867 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.883 -2.768 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.513 -1.956 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.974 -1.030 -4.608 1.00 0.00 H new ATOM 741 N LYS A 55 -6.137 2.096 -8.108 1.00 0.00 N ATOM 742 CA LYS A 55 -6.359 3.462 -8.527 1.00 0.00 C ATOM 743 C LYS A 55 -6.772 4.276 -7.305 1.00 0.00 C ATOM 744 O LYS A 55 -7.955 4.397 -6.993 1.00 0.00 O ATOM 745 CB LYS A 55 -7.356 3.509 -9.699 1.00 0.00 C ATOM 746 CG LYS A 55 -8.674 2.738 -9.505 1.00 0.00 C ATOM 747 CD LYS A 55 -9.553 2.927 -10.752 1.00 0.00 C ATOM 748 CE LYS A 55 -10.860 2.124 -10.689 1.00 0.00 C ATOM 749 NZ LYS A 55 -11.759 2.582 -9.610 1.00 0.00 N ATOM 0 H LYS A 55 -6.988 1.535 -8.152 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.449 3.915 -8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.597 4.553 -9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.859 3.118 -10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.471 1.679 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.195 3.100 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.788 3.985 -10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.990 2.627 -11.636 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.377 2.204 -11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.627 1.070 -10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.625 2.007 -9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.279 2.482 -8.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.006 3.580 -9.764 1.00 0.00 H new ATOM 759 N ILE A 56 -5.780 4.777 -6.570 1.00 0.00 N ATOM 760 CA ILE A 56 -6.020 5.477 -5.328 1.00 0.00 C ATOM 761 C ILE A 56 -6.580 6.864 -5.645 1.00 0.00 C ATOM 762 O ILE A 56 -6.359 7.391 -6.734 1.00 0.00 O ATOM 763 CB ILE A 56 -4.732 5.465 -4.485 1.00 0.00 C ATOM 764 CG1 ILE A 56 -3.609 6.322 -5.064 1.00 0.00 C ATOM 765 CG2 ILE A 56 -4.197 4.030 -4.440 1.00 0.00 C ATOM 766 CD1 ILE A 56 -2.406 6.382 -4.116 1.00 0.00 C ATOM 0 H ILE A 56 -4.795 4.705 -6.825 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.774 4.985 -4.713 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.002 5.865 -3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.297 5.914 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.978 7.331 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.283 4.001 -3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.944 3.377 -3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.983 3.690 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.625 7.000 -4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.714 6.814 -3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.022 5.375 -3.951 1.00 0.00 H new ATOM 777 N LYS A 57 -7.339 7.449 -4.718 1.00 0.00 N ATOM 778 CA LYS A 57 -7.903 8.765 -4.923 1.00 0.00 C ATOM 779 C LYS A 57 -6.767 9.764 -4.732 1.00 0.00 C ATOM 780 O LYS A 57 -5.826 9.480 -3.990 1.00 0.00 O ATOM 781 CB LYS A 57 -9.048 9.046 -3.939 1.00 0.00 C ATOM 782 CG LYS A 57 -10.146 7.965 -3.849 1.00 0.00 C ATOM 783 CD LYS A 57 -9.865 6.732 -2.965 1.00 0.00 C ATOM 784 CE LYS A 57 -9.791 7.038 -1.461 1.00 0.00 C ATOM 785 NZ LYS A 57 -9.291 5.881 -0.679 1.00 0.00 N ATOM 0 H LYS A 57 -7.572 7.024 -3.820 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.332 8.844 -5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.621 9.185 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.517 9.989 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.056 8.440 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.355 7.613 -4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.646 5.991 -3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.924 6.281 -3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.137 7.895 -1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.780 7.319 -1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.209 6.148 0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.955 5.086 -0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.358 5.596 -1.039 1.00 0.00 H new ATOM 795 N ASP A 58 -6.870 10.938 -5.353 1.00 0.00 N ATOM 796 CA ASP A 58 -5.812 11.943 -5.268 1.00 0.00 C ATOM 797 C ASP A 58 -5.654 12.412 -3.824 1.00 0.00 C ATOM 798 O ASP A 58 -4.557 12.644 -3.318 1.00 0.00 O ATOM 799 CB ASP A 58 -6.089 13.119 -6.207 1.00 0.00 C ATOM 800 CG ASP A 58 -4.780 13.588 -6.825 1.00 0.00 C ATOM 801 OD1 ASP A 58 -4.090 14.442 -6.226 1.00 0.00 O ATOM 802 OD2 ASP A 58 -4.369 13.010 -7.856 1.00 0.00 O ATOM 0 H ASP A 58 -7.672 11.216 -5.918 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.875 11.489 -5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.787 12.819 -6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.558 13.935 -5.658 1.00 0.00 H new ATOM 806 N ALA A 59 -6.794 12.480 -3.140 1.00 0.00 N ATOM 807 CA ALA A 59 -6.827 12.671 -1.703 1.00 0.00 C ATOM 808 C ALA A 59 -5.996 11.615 -0.979 1.00 0.00 C ATOM 809 O ALA A 59 -5.111 11.977 -0.212 1.00 0.00 O ATOM 810 CB ALA A 59 -8.273 12.713 -1.202 1.00 0.00 C ATOM 0 H ALA A 59 -7.715 12.404 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.371 13.634 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.280 12.857 -0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.800 13.538 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.770 11.774 -1.446 1.00 0.00 H new ATOM 816 N THR A 60 -6.245 10.321 -1.210 1.00 0.00 N ATOM 817 CA THR A 60 -5.430 9.301 -0.569 1.00 0.00 C ATOM 818 C THR A 60 -3.965 9.403 -0.957 1.00 0.00 C ATOM 819 O THR A 60 -3.130 9.307 -0.079 1.00 0.00 O ATOM 820 CB THR A 60 -5.946 7.879 -0.807 1.00 0.00 C ATOM 821 OG1 THR A 60 -6.715 7.794 -1.991 1.00 0.00 O ATOM 822 CG2 THR A 60 -6.770 7.471 0.409 1.00 0.00 C ATOM 0 H THR A 60 -6.984 9.969 -1.819 1.00 0.00 H new ATOM 0 HA THR A 60 -5.514 9.502 0.499 1.00 0.00 H new ATOM 0 HB THR A 60 -5.103 7.201 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.291 8.327 -2.695 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.151 6.460 0.267 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.143 7.501 1.300 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.606 8.160 0.530 1.00 0.00 H new ATOM 830 N LYS A 61 -3.636 9.577 -2.235 1.00 0.00 N ATOM 831 CA LYS A 61 -2.271 9.803 -2.678 1.00 0.00 C ATOM 832 C LYS A 61 -1.614 10.862 -1.808 1.00 0.00 C ATOM 833 O LYS A 61 -0.607 10.598 -1.164 1.00 0.00 O ATOM 834 CB LYS A 61 -2.390 10.261 -4.129 1.00 0.00 C ATOM 835 CG LYS A 61 -1.239 11.011 -4.818 1.00 0.00 C ATOM 836 CD LYS A 61 -1.964 12.003 -5.736 1.00 0.00 C ATOM 837 CE LYS A 61 -1.092 12.772 -6.730 1.00 0.00 C ATOM 838 NZ LYS A 61 -1.928 13.733 -7.483 1.00 0.00 N ATOM 0 H LYS A 61 -4.317 9.564 -2.994 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.650 8.911 -2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.597 9.374 -4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.270 10.901 -4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.603 11.522 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.599 10.334 -5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.722 11.457 -6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.489 12.726 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.299 13.301 -6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.608 12.078 -7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.324 14.302 -8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.626 13.214 -8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.423 14.360 -6.816 1.00 0.00 H new ATOM 848 N SER A 62 -2.201 12.053 -1.785 1.00 0.00 N ATOM 849 CA SER A 62 -1.626 13.154 -1.021 1.00 0.00 C ATOM 850 C SER A 62 -1.450 12.766 0.453 1.00 0.00 C ATOM 851 O SER A 62 -0.355 12.864 1.008 1.00 0.00 O ATOM 852 CB SER A 62 -2.498 14.403 -1.208 1.00 0.00 C ATOM 853 OG SER A 62 -1.883 15.534 -0.626 1.00 0.00 O ATOM 0 H SER A 62 -3.064 12.280 -2.280 1.00 0.00 H new ATOM 0 HA SER A 62 -0.627 13.383 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.665 14.580 -2.270 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.476 14.241 -0.754 1.00 0.00 H new ATOM 0 HG SER A 62 -2.453 16.320 -0.757 1.00 0.00 H new ATOM 858 N TYR A 63 -2.523 12.271 1.073 1.00 0.00 N ATOM 859 CA TYR A 63 -2.532 11.817 2.455 1.00 0.00 C ATOM 860 C TYR A 63 -1.442 10.780 2.714 1.00 0.00 C ATOM 861 O TYR A 63 -0.837 10.765 3.782 1.00 0.00 O ATOM 862 CB TYR A 63 -3.898 11.186 2.762 1.00 0.00 C ATOM 863 CG TYR A 63 -4.102 10.685 4.185 1.00 0.00 C ATOM 864 CD1 TYR A 63 -3.598 11.404 5.287 1.00 0.00 C ATOM 865 CD2 TYR A 63 -4.745 9.450 4.402 1.00 0.00 C ATOM 866 CE1 TYR A 63 -3.644 10.846 6.574 1.00 0.00 C ATOM 867 CE2 TYR A 63 -4.776 8.884 5.688 1.00 0.00 C ATOM 868 CZ TYR A 63 -4.211 9.577 6.773 1.00 0.00 C ATOM 869 OH TYR A 63 -4.213 9.029 8.020 1.00 0.00 O ATOM 0 H TYR A 63 -3.428 12.175 0.613 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.345 12.678 3.097 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.672 11.922 2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.051 10.350 2.079 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.175 12.387 5.141 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.216 8.936 3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.242 11.394 7.413 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.233 7.918 5.843 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.643 8.149 7.990 1.00 0.00 H new ATOM 878 N CYS A 64 -1.264 9.870 1.757 1.00 0.00 N ATOM 879 CA CYS A 64 -0.529 8.627 1.921 1.00 0.00 C ATOM 880 C CYS A 64 0.696 8.561 1.018 1.00 0.00 C ATOM 881 O CYS A 64 1.114 7.455 0.706 1.00 0.00 O ATOM 882 CB CYS A 64 -1.454 7.415 1.686 1.00 0.00 C ATOM 883 SG CYS A 64 -2.784 7.199 2.897 1.00 0.00 S ATOM 0 H CYS A 64 -1.642 9.986 0.817 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.168 8.595 2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.900 7.508 0.696 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.844 6.512 1.678 1.00 0.00 H new ATOM 887 N ASP A 65 1.307 9.687 0.641 1.00 0.00 N ATOM 888 CA ASP A 65 2.618 9.672 -0.010 1.00 0.00 C ATOM 889 C ASP A 65 3.709 10.094 0.977 1.00 0.00 C ATOM 890 O ASP A 65 4.538 9.290 1.393 1.00 0.00 O ATOM 891 CB ASP A 65 2.600 10.564 -1.254 1.00 0.00 C ATOM 892 CG ASP A 65 3.981 10.573 -1.894 1.00 0.00 C ATOM 893 OD1 ASP A 65 4.313 9.560 -2.549 1.00 0.00 O ATOM 894 OD2 ASP A 65 4.688 11.580 -1.680 1.00 0.00 O ATOM 0 H ASP A 65 0.915 10.619 0.775 1.00 0.00 H new ATOM 0 HA ASP A 65 2.845 8.656 -0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.860 10.198 -1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.307 11.578 -0.983 1.00 0.00 H new ATOM 898 N VAL A 66 3.675 11.362 1.389 1.00 0.00 N ATOM 899 CA VAL A 66 4.742 12.013 2.149 1.00 0.00 C ATOM 900 C VAL A 66 5.015 11.336 3.504 1.00 0.00 C ATOM 901 O VAL A 66 6.106 11.476 4.051 1.00 0.00 O ATOM 902 CB VAL A 66 4.405 13.511 2.303 1.00 0.00 C ATOM 903 CG1 VAL A 66 5.468 14.272 3.106 1.00 0.00 C ATOM 904 CG2 VAL A 66 4.281 14.185 0.926 1.00 0.00 C ATOM 0 H VAL A 66 2.886 11.979 1.199 1.00 0.00 H new ATOM 0 HA VAL A 66 5.673 11.909 1.592 1.00 0.00 H new ATOM 0 HB VAL A 66 3.458 13.553 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.183 15.321 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.547 13.842 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.430 14.195 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.043 15.241 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.224 14.090 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.488 13.703 0.355 1.00 0.00 H new ATOM 914 N GLN A 67 4.031 10.604 4.035 1.00 0.00 N ATOM 915 CA GLN A 67 3.987 9.948 5.331 1.00 0.00 C ATOM 916 C GLN A 67 5.351 9.495 5.850 1.00 0.00 C ATOM 917 O GLN A 67 5.806 9.945 6.897 1.00 0.00 O ATOM 918 CB GLN A 67 3.050 8.750 5.165 1.00 0.00 C ATOM 919 CG GLN A 67 1.580 9.174 5.188 1.00 0.00 C ATOM 920 CD GLN A 67 1.046 9.562 6.521 1.00 0.00 C ATOM 921 OE1 GLN A 67 1.595 9.291 7.583 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.135 10.127 6.413 1.00 0.00 N ATOM 0 H GLN A 67 3.168 10.445 3.514 1.00 0.00 H new ATOM 0 HA GLN A 67 3.636 10.659 6.079 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.268 8.245 4.224 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.234 8.031 5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.452 10.015 4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.977 8.353 4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.525 10.321 5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.662 10.372 7.251 1.00 0.00 H new ATOM 929 N ILE A 68 5.992 8.578 5.126 1.00 0.00 N ATOM 930 CA ILE A 68 7.234 7.965 5.551 1.00 0.00 C ATOM 931 C ILE A 68 8.357 9.005 5.642 1.00 0.00 C ATOM 932 O ILE A 68 9.247 8.883 6.480 1.00 0.00 O ATOM 933 CB ILE A 68 7.548 6.812 4.595 1.00 0.00 C ATOM 934 CG1 ILE A 68 6.443 5.742 4.628 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.901 6.181 4.908 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.104 5.117 5.989 1.00 0.00 C ATOM 0 H ILE A 68 5.656 8.243 4.223 1.00 0.00 H new ATOM 0 HA ILE A 68 7.140 7.557 6.557 1.00 0.00 H new ATOM 0 HB ILE A 68 7.591 7.232 3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.533 6.186 4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.732 4.938 3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.092 5.366 4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.684 6.933 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.895 5.793 5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.310 4.381 5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.990 4.630 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.771 5.896 6.675 1.00 0.00 H new ATOM 947 N ILE A 69 8.318 10.031 4.788 1.00 0.00 N ATOM 948 CA ILE A 69 9.257 11.137 4.816 1.00 0.00 C ATOM 949 C ILE A 69 8.770 12.136 5.865 1.00 0.00 C ATOM 950 O ILE A 69 9.571 12.768 6.551 1.00 0.00 O ATOM 951 CB ILE A 69 9.351 11.776 3.417 1.00 0.00 C ATOM 952 CG1 ILE A 69 9.523 10.734 2.294 1.00 0.00 C ATOM 953 CG2 ILE A 69 10.477 12.818 3.369 1.00 0.00 C ATOM 954 CD1 ILE A 69 10.748 9.826 2.458 1.00 0.00 C ATOM 0 H ILE A 69 7.619 10.111 4.049 1.00 0.00 H new ATOM 0 HA ILE A 69 10.258 10.798 5.082 1.00 0.00 H new ATOM 0 HB ILE A 69 8.399 12.276 3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.628 10.113 2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 69 9.596 11.255 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 69 10.525 13.256 2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.279 13.601 4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.428 12.337 3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 69 10.794 9.123 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 69 11.653 10.434 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 69 10.669 9.275 3.395 1.00 0.00 H new