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 20 ASN : amide:sc= -0.141 K(o=0.28,f=-0.42) USER MOD Set 1.2: A 23 ASN : amide:sc= 0.422 K(o=0.28,f=-0.42) USER MOD Set 2.1: A 14 SER OG : rot -160:sc= 0.92 USER MOD Set 2.2: A 21 TYR OH : rot 180:sc= 0.817 USER MOD Set 3.1: A 10 SER OG : rot -65:sc= 1.05 USER MOD Set 3.2: A 12 LYS NZ :NH3+ 170:sc= 0.779 (180deg=-0.069) USER MOD Set 4.1: A 5 TYR OH : rot -22:sc= 1.3 USER MOD Set 4.2: A 57 LYS NZ :NH3+ -179:sc= 2.45 (180deg=0) USER MOD Set 4.3: A 60 THR OG1 : rot -120:sc= 0.872 USER MOD Set 5.1: A 2 LYS NZ :NH3+ -169:sc= 1.24 (180deg=0.108) USER MOD Set 5.2: A 3 ASN : amide:sc= 1.31 K(o=2.8,f=-7!) USER MOD Set 5.3: A 43 TYR OH : rot -73:sc= 0.205 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.625 K(o=0.62,f=-5.3!) 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 100:sc= 0.375 USER MOD Single : A 31 TYR OH : rot -47:sc= 1.28 USER MOD Single : A 33 THR OG1 : rot -35:sc= 0.621 USER MOD Single : A 34 SER OG : rot 32:sc= 1.16 USER MOD Single : A 36 TYR OH : rot -12:sc= 1.22 USER MOD Single : A 41 SER OG : rot -162:sc= 0.431 USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= 2.44 (180deg=2.07) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= 1.13 (180deg=-1.19!) 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= 1.16 K(o=1.2,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 2 5.413 1.622 -8.078 1.00 0.00 N ATOM 20 CA LYS A 2 5.712 2.778 -7.263 1.00 0.00 C ATOM 21 C LYS A 2 4.866 2.656 -6.009 1.00 0.00 C ATOM 22 O LYS A 2 3.869 1.939 -6.023 1.00 0.00 O ATOM 23 CB LYS A 2 5.286 4.022 -8.041 1.00 0.00 C ATOM 24 CG LYS A 2 3.849 3.872 -8.577 1.00 0.00 C ATOM 25 CD LYS A 2 2.752 4.581 -7.783 1.00 0.00 C ATOM 26 CE LYS A 2 2.928 6.101 -7.593 1.00 0.00 C ATOM 27 NZ LYS A 2 3.263 6.475 -6.197 1.00 0.00 N ATOM 0 HA LYS A 2 6.771 2.845 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.348 4.898 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.972 4.189 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.825 4.245 -9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.609 2.810 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.799 4.406 -8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.686 4.117 -6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.716 6.456 -8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.009 6.607 -7.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.186 7.506 -6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.603 6.006 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.235 6.175 -5.981 1.00 0.00 H new ATOM 37 N ASN A 3 5.233 3.365 -4.941 1.00 0.00 N ATOM 38 CA ASN A 3 4.492 3.326 -3.693 1.00 0.00 C ATOM 39 C ASN A 3 3.014 3.612 -3.892 1.00 0.00 C ATOM 40 O ASN A 3 2.619 4.566 -4.558 1.00 0.00 O ATOM 41 CB ASN A 3 5.096 4.289 -2.688 1.00 0.00 C ATOM 42 CG ASN A 3 4.969 5.755 -3.051 1.00 0.00 C ATOM 43 OD1 ASN A 3 4.964 6.140 -4.223 1.00 0.00 O ATOM 44 ND2 ASN A 3 4.903 6.563 -2.009 1.00 0.00 N ATOM 0 H ASN A 3 6.049 3.977 -4.922 1.00 0.00 H new ATOM 0 HA ASN A 3 4.569 2.312 -3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.620 4.127 -1.721 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.153 4.050 -2.568 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.843 7.572 -2.149 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.912 6.179 -1.064 1.00 0.00 H new ATOM 50 N GLY A 4 2.202 2.707 -3.377 1.00 0.00 N ATOM 51 CA GLY A 4 0.919 2.442 -4.000 1.00 0.00 C ATOM 52 C GLY A 4 0.161 1.346 -3.274 1.00 0.00 C ATOM 53 O GLY A 4 0.685 0.733 -2.343 1.00 0.00 O ATOM 0 H GLY A 4 2.402 2.152 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.322 3.354 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.072 2.152 -5.040 1.00 0.00 H new ATOM 57 N TYR A 5 -1.073 1.115 -3.730 1.00 0.00 N ATOM 58 CA TYR A 5 -1.950 0.068 -3.239 1.00 0.00 C ATOM 59 C TYR A 5 -1.550 -1.269 -3.854 1.00 0.00 C ATOM 60 O TYR A 5 -2.011 -1.579 -4.950 1.00 0.00 O ATOM 61 CB TYR A 5 -3.414 0.415 -3.553 1.00 0.00 C ATOM 62 CG TYR A 5 -4.162 1.396 -2.667 1.00 0.00 C ATOM 63 CD1 TYR A 5 -3.495 2.246 -1.767 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.554 1.527 -2.836 1.00 0.00 C ATOM 65 CE1 TYR A 5 -4.207 3.247 -1.079 1.00 0.00 C ATOM 66 CE2 TYR A 5 -6.273 2.500 -2.118 1.00 0.00 C ATOM 67 CZ TYR A 5 -5.596 3.379 -1.257 1.00 0.00 C ATOM 68 OH TYR A 5 -6.277 4.415 -0.676 1.00 0.00 O ATOM 0 H TYR A 5 -1.495 1.672 -4.473 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.852 -0.013 -2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.445 0.806 -4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.977 -0.518 -3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.434 2.131 -1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.074 0.875 -3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.684 3.916 -0.412 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.345 2.571 -2.229 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.766 4.754 0.088 1.00 0.00 H new ATOM 77 N ALA A 6 -0.705 -2.054 -3.180 1.00 0.00 N ATOM 78 CA ALA A 6 -0.261 -3.325 -3.764 1.00 0.00 C ATOM 79 C ALA A 6 -1.365 -4.363 -3.615 1.00 0.00 C ATOM 80 O ALA A 6 -2.028 -4.376 -2.578 1.00 0.00 O ATOM 81 CB ALA A 6 0.998 -3.842 -3.074 1.00 0.00 C ATOM 0 H ALA A 6 -0.324 -1.843 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.036 -3.154 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.301 -4.785 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.799 -3.111 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.794 -4.000 -2.015 1.00 0.00 H new ATOM 87 N VAL A 7 -1.556 -5.237 -4.611 1.00 0.00 N ATOM 88 CA VAL A 7 -2.578 -6.268 -4.519 1.00 0.00 C ATOM 89 C VAL A 7 -2.119 -7.636 -5.015 1.00 0.00 C ATOM 90 O VAL A 7 -1.521 -7.756 -6.078 1.00 0.00 O ATOM 91 CB VAL A 7 -3.865 -5.841 -5.242 1.00 0.00 C ATOM 92 CG1 VAL A 7 -4.516 -4.661 -4.504 1.00 0.00 C ATOM 93 CG2 VAL A 7 -3.682 -5.474 -6.714 1.00 0.00 C ATOM 0 H VAL A 7 -1.019 -5.246 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.784 -6.380 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.508 -6.721 -5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.427 -4.365 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.760 -4.960 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.823 -3.820 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.643 -5.186 -7.139 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.984 -4.641 -6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.288 -6.333 -7.257 1.00 0.00 H new ATOM 103 N ASP A 8 -2.491 -8.656 -4.230 1.00 0.00 N ATOM 104 CA ASP A 8 -2.936 -9.987 -4.627 1.00 0.00 C ATOM 105 C ASP A 8 -2.559 -10.369 -6.059 1.00 0.00 C ATOM 106 O ASP A 8 -1.642 -11.145 -6.306 1.00 0.00 O ATOM 107 CB ASP A 8 -4.468 -9.979 -4.426 1.00 0.00 C ATOM 108 CG ASP A 8 -5.194 -11.213 -4.928 1.00 0.00 C ATOM 109 OD1 ASP A 8 -5.264 -12.219 -4.194 1.00 0.00 O ATOM 110 OD2 ASP A 8 -5.871 -11.096 -5.977 1.00 0.00 O ATOM 0 H ASP A 8 -2.486 -8.556 -3.215 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.437 -10.744 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.678 -9.861 -3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.880 -9.105 -4.931 1.00 0.00 H new ATOM 114 N SER A 9 -3.374 -9.843 -6.964 1.00 0.00 N ATOM 115 CA SER A 9 -3.536 -10.115 -8.376 1.00 0.00 C ATOM 116 C SER A 9 -4.745 -9.290 -8.826 1.00 0.00 C ATOM 117 O SER A 9 -4.741 -8.711 -9.906 1.00 0.00 O ATOM 118 CB SER A 9 -3.817 -11.604 -8.583 1.00 0.00 C ATOM 119 OG SER A 9 -3.609 -11.985 -9.930 1.00 0.00 O ATOM 0 H SER A 9 -4.026 -9.113 -6.676 1.00 0.00 H new ATOM 0 HA SER A 9 -2.641 -9.859 -8.944 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.170 -12.192 -7.933 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.845 -11.826 -8.295 1.00 0.00 H new ATOM 0 HG SER A 9 -3.795 -12.942 -10.032 1.00 0.00 H new ATOM 124 N SER A 10 -5.787 -9.266 -7.980 1.00 0.00 N ATOM 125 CA SER A 10 -7.025 -8.531 -8.210 1.00 0.00 C ATOM 126 C SER A 10 -7.131 -7.342 -7.253 1.00 0.00 C ATOM 127 O SER A 10 -7.298 -6.208 -7.692 1.00 0.00 O ATOM 128 CB SER A 10 -8.212 -9.490 -8.061 1.00 0.00 C ATOM 129 OG SER A 10 -8.166 -10.174 -6.822 1.00 0.00 O ATOM 0 H SER A 10 -5.784 -9.774 -7.095 1.00 0.00 H new ATOM 0 HA SER A 10 -7.031 -8.126 -9.222 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.145 -8.932 -8.137 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.205 -10.211 -8.878 1.00 0.00 H new ATOM 0 HG SER A 10 -7.373 -10.750 -6.795 1.00 0.00 H new ATOM 134 N GLY A 11 -7.046 -7.612 -5.945 1.00 0.00 N ATOM 135 CA GLY A 11 -7.227 -6.648 -4.880 1.00 0.00 C ATOM 136 C GLY A 11 -8.111 -7.168 -3.760 1.00 0.00 C ATOM 137 O GLY A 11 -9.125 -6.574 -3.401 1.00 0.00 O ATOM 0 H GLY A 11 -6.841 -8.549 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.253 -6.377 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.665 -5.738 -5.290 1.00 0.00 H new ATOM 141 N LYS A 12 -7.628 -8.234 -3.118 1.00 0.00 N ATOM 142 CA LYS A 12 -8.057 -8.647 -1.793 1.00 0.00 C ATOM 143 C LYS A 12 -7.411 -7.667 -0.802 1.00 0.00 C ATOM 144 O LYS A 12 -6.501 -8.032 -0.061 1.00 0.00 O ATOM 145 CB LYS A 12 -7.588 -10.091 -1.542 1.00 0.00 C ATOM 146 CG LYS A 12 -8.362 -11.205 -2.270 1.00 0.00 C ATOM 147 CD LYS A 12 -8.581 -10.976 -3.774 1.00 0.00 C ATOM 148 CE LYS A 12 -8.837 -12.290 -4.529 1.00 0.00 C ATOM 149 NZ LYS A 12 -7.576 -12.897 -5.013 1.00 0.00 N ATOM 0 H LYS A 12 -6.914 -8.842 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.141 -8.630 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.539 -10.163 -1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.640 -10.284 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.826 -12.145 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.334 -11.322 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.428 -10.305 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.706 -10.481 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.351 -12.993 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.498 -12.101 -5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.766 -13.857 -5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.184 -12.317 -5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.891 -12.944 -4.232 1.00 0.00 H new ATOM 159 N VAL A 13 -7.819 -6.398 -0.853 1.00 0.00 N ATOM 160 CA VAL A 13 -7.183 -5.334 -0.084 1.00 0.00 C ATOM 161 C VAL A 13 -7.380 -5.538 1.423 1.00 0.00 C ATOM 162 O VAL A 13 -8.462 -5.927 1.861 1.00 0.00 O ATOM 163 CB VAL A 13 -7.683 -3.946 -0.534 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.232 -3.635 -1.966 1.00 0.00 C ATOM 165 CG2 VAL A 13 -9.206 -3.781 -0.430 1.00 0.00 C ATOM 0 H VAL A 13 -8.599 -6.082 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.112 -5.379 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.233 -3.235 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.598 -2.651 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.143 -3.646 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.633 -4.387 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.487 -2.782 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.696 -4.524 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.517 -3.920 0.605 1.00 0.00 H new ATOM 175 N SER A 14 -6.346 -5.230 2.213 1.00 0.00 N ATOM 176 CA SER A 14 -6.443 -5.128 3.662 1.00 0.00 C ATOM 177 C SER A 14 -6.597 -3.657 4.038 1.00 0.00 C ATOM 178 O SER A 14 -5.838 -2.822 3.546 1.00 0.00 O ATOM 179 CB SER A 14 -5.178 -5.681 4.330 1.00 0.00 C ATOM 180 OG SER A 14 -4.989 -7.050 4.030 1.00 0.00 O ATOM 0 H SER A 14 -5.410 -5.043 1.854 1.00 0.00 H new ATOM 0 HA SER A 14 -7.301 -5.707 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.311 -5.111 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.249 -5.551 5.410 1.00 0.00 H new ATOM 0 HG SER A 14 -4.395 -7.452 4.697 1.00 0.00 H new ATOM 185 N GLU A 15 -7.549 -3.353 4.925 1.00 0.00 N ATOM 186 CA GLU A 15 -7.612 -2.111 5.662 1.00 0.00 C ATOM 187 C GLU A 15 -6.605 -2.230 6.825 1.00 0.00 C ATOM 188 O GLU A 15 -5.434 -2.488 6.566 1.00 0.00 O ATOM 189 CB GLU A 15 -9.078 -1.947 6.090 1.00 0.00 C ATOM 190 CG GLU A 15 -9.359 -0.564 6.679 1.00 0.00 C ATOM 191 CD GLU A 15 -10.099 -0.661 8.006 1.00 0.00 C ATOM 192 OE1 GLU A 15 -9.506 -1.301 8.903 1.00 0.00 O ATOM 193 OE2 GLU A 15 -11.228 -0.135 8.086 1.00 0.00 O ATOM 0 H GLU A 15 -8.314 -3.990 5.148 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.334 -1.219 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.726 -2.111 5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.327 -2.711 6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.419 -0.032 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.950 0.019 5.973 1.00 0.00 H new ATOM 198 N CYS A 16 -7.072 -2.123 8.074 1.00 0.00 N ATOM 199 CA CYS A 16 -6.401 -2.310 9.361 1.00 0.00 C ATOM 200 C CYS A 16 -6.127 -0.989 10.081 1.00 0.00 C ATOM 201 O CYS A 16 -5.856 0.033 9.456 1.00 0.00 O ATOM 202 CB CYS A 16 -5.147 -3.206 9.361 1.00 0.00 C ATOM 203 SG CYS A 16 -3.574 -2.373 9.732 1.00 0.00 S ATOM 0 H CYS A 16 -8.050 -1.872 8.221 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.140 -2.878 9.926 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.294 -4.003 10.090 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.063 -3.680 8.383 1.00 0.00 H new ATOM 207 N LEU A 17 -6.157 -1.028 11.418 1.00 0.00 N ATOM 208 CA LEU A 17 -5.772 0.078 12.272 1.00 0.00 C ATOM 209 C LEU A 17 -4.273 0.044 12.600 1.00 0.00 C ATOM 210 O LEU A 17 -3.621 1.088 12.610 1.00 0.00 O ATOM 211 CB LEU A 17 -6.685 0.093 13.507 1.00 0.00 C ATOM 212 CG LEU A 17 -6.604 -1.133 14.434 1.00 0.00 C ATOM 213 CD1 LEU A 17 -5.650 -0.890 15.611 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.993 -1.460 14.994 1.00 0.00 C ATOM 0 H LEU A 17 -6.458 -1.852 11.938 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.914 1.024 11.749 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.451 0.981 14.094 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.716 0.198 13.168 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.226 -1.965 13.839 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.619 -1.777 16.243 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.650 -0.680 15.231 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.002 -0.040 16.196 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.926 -2.329 15.649 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.367 -0.607 15.560 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.675 -1.677 14.172 1.00 0.00 H new ATOM 225 N LEU A 18 -3.695 -1.136 12.867 1.00 0.00 N ATOM 226 CA LEU A 18 -2.304 -1.262 13.285 1.00 0.00 C ATOM 227 C LEU A 18 -1.360 -1.187 12.078 1.00 0.00 C ATOM 228 O LEU A 18 -0.697 -2.165 11.727 1.00 0.00 O ATOM 229 CB LEU A 18 -2.130 -2.535 14.127 1.00 0.00 C ATOM 230 CG LEU A 18 -2.676 -3.800 13.439 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.614 -4.889 13.457 1.00 0.00 C ATOM 232 CD2 LEU A 18 -3.930 -4.326 14.145 1.00 0.00 C ATOM 0 H LEU A 18 -4.186 -2.028 12.797 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.030 -0.421 13.922 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.071 -2.676 14.345 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.637 -2.402 15.083 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.937 -3.535 12.414 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.002 -5.784 12.970 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.728 -4.542 12.926 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.350 -5.123 14.488 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.288 -5.219 13.633 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.689 -4.573 15.179 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.706 -3.561 14.126 1.00 0.00 H new ATOM 243 N ASN A 19 -1.321 0.000 11.464 1.00 0.00 N ATOM 244 CA ASN A 19 -0.541 0.402 10.293 1.00 0.00 C ATOM 245 C ASN A 19 0.636 -0.513 9.930 1.00 0.00 C ATOM 246 O ASN A 19 0.681 -1.035 8.815 1.00 0.00 O ATOM 247 CB ASN A 19 -0.125 1.880 10.405 1.00 0.00 C ATOM 248 CG ASN A 19 0.748 2.237 11.605 1.00 0.00 C ATOM 249 OD1 ASN A 19 1.020 1.420 12.480 1.00 0.00 O ATOM 250 ND2 ASN A 19 1.198 3.486 11.657 1.00 0.00 N ATOM 0 H ASN A 19 -1.888 0.775 11.808 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.214 0.283 9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.409 2.157 9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.028 2.490 10.443 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.784 3.785 12.437 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.958 4.146 10.917 1.00 0.00 H new ATOM 256 N ASN A 20 1.576 -0.702 10.865 1.00 0.00 N ATOM 257 CA ASN A 20 2.749 -1.568 10.770 1.00 0.00 C ATOM 258 C ASN A 20 2.485 -2.829 9.949 1.00 0.00 C ATOM 259 O ASN A 20 3.277 -3.146 9.060 1.00 0.00 O ATOM 260 CB ASN A 20 3.209 -1.947 12.185 1.00 0.00 C ATOM 261 CG ASN A 20 4.328 -2.991 12.190 1.00 0.00 C ATOM 262 OD1 ASN A 20 5.131 -3.075 11.267 1.00 0.00 O ATOM 263 ND2 ASN A 20 4.389 -3.811 13.234 1.00 0.00 N ATOM 0 H ASN A 20 1.531 -0.222 11.764 1.00 0.00 H new ATOM 0 HA ASN A 20 3.531 -1.014 10.251 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.553 -1.051 12.701 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.358 -2.332 12.747 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.114 -4.527 13.278 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.711 -3.724 13.991 1.00 0.00 H new ATOM 269 N TYR A 21 1.379 -3.527 10.250 1.00 0.00 N ATOM 270 CA TYR A 21 0.951 -4.743 9.567 1.00 0.00 C ATOM 271 C TYR A 21 1.175 -4.647 8.062 1.00 0.00 C ATOM 272 O TYR A 21 1.774 -5.538 7.466 1.00 0.00 O ATOM 273 CB TYR A 21 -0.526 -5.036 9.889 1.00 0.00 C ATOM 274 CG TYR A 21 -1.270 -5.898 8.878 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.932 -5.280 7.803 1.00 0.00 C ATOM 276 CD2 TYR A 21 -1.281 -7.302 8.980 1.00 0.00 C ATOM 277 CE1 TYR A 21 -2.551 -6.050 6.810 1.00 0.00 C ATOM 278 CE2 TYR A 21 -1.960 -8.074 8.017 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.589 -7.445 6.926 1.00 0.00 C ATOM 280 OH TYR A 21 -3.227 -8.172 5.961 1.00 0.00 O ATOM 0 H TYR A 21 0.744 -3.247 10.998 1.00 0.00 H new ATOM 0 HA TYR A 21 1.559 -5.571 9.930 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.575 -5.526 10.861 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.052 -4.086 9.984 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.964 -4.202 7.742 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.768 -7.788 9.797 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.999 -5.567 5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.998 -9.149 8.116 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.169 -9.126 6.178 1.00 0.00 H new ATOM 289 N CYS A 22 0.685 -3.579 7.434 1.00 0.00 N ATOM 290 CA CYS A 22 0.657 -3.519 5.984 1.00 0.00 C ATOM 291 C CYS A 22 2.075 -3.411 5.450 1.00 0.00 C ATOM 292 O CYS A 22 2.437 -4.138 4.531 1.00 0.00 O ATOM 293 CB CYS A 22 -0.237 -2.375 5.518 1.00 0.00 C ATOM 294 SG CYS A 22 -1.795 -2.948 4.813 1.00 0.00 S ATOM 0 H CYS A 22 0.308 -2.756 7.904 1.00 0.00 H new ATOM 0 HA CYS A 22 0.226 -4.436 5.582 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.445 -1.716 6.361 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.297 -1.782 4.775 1.00 0.00 H new ATOM 298 N ASN A 23 2.893 -2.552 6.064 1.00 0.00 N ATOM 299 CA ASN A 23 4.316 -2.485 5.759 1.00 0.00 C ATOM 300 C ASN A 23 4.944 -3.872 5.884 1.00 0.00 C ATOM 301 O ASN A 23 5.634 -4.322 4.973 1.00 0.00 O ATOM 302 CB ASN A 23 5.014 -1.438 6.651 1.00 0.00 C ATOM 303 CG ASN A 23 6.227 -1.953 7.422 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.348 -1.881 6.932 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.022 -2.459 8.633 1.00 0.00 N ATOM 0 H ASN A 23 2.587 -1.892 6.779 1.00 0.00 H new ATOM 0 HA ASN A 23 4.450 -2.159 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.328 -0.602 6.026 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.288 -1.048 7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.810 -2.801 9.183 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.077 -2.505 9.013 1.00 0.00 H new ATOM 311 N ASN A 24 4.690 -4.549 7.008 1.00 0.00 N ATOM 312 CA ASN A 24 5.296 -5.810 7.347 1.00 0.00 C ATOM 313 C ASN A 24 5.040 -6.836 6.250 1.00 0.00 C ATOM 314 O ASN A 24 5.972 -7.371 5.655 1.00 0.00 O ATOM 315 CB ASN A 24 4.716 -6.243 8.694 1.00 0.00 C ATOM 316 CG ASN A 24 5.724 -7.090 9.434 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.752 -8.310 9.318 1.00 0.00 O ATOM 318 ND2 ASN A 24 6.580 -6.413 10.190 1.00 0.00 N ATOM 0 H ASN A 24 4.038 -4.214 7.717 1.00 0.00 H new ATOM 0 HA ASN A 24 6.379 -5.720 7.430 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.457 -5.366 9.288 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.796 -6.807 8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.305 -6.909 10.709 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.513 -5.397 10.252 1.00 0.00 H new ATOM 324 N ILE A 25 3.765 -7.070 5.940 1.00 0.00 N ATOM 325 CA ILE A 25 3.343 -7.968 4.885 1.00 0.00 C ATOM 326 C ILE A 25 3.995 -7.549 3.578 1.00 0.00 C ATOM 327 O ILE A 25 4.500 -8.389 2.840 1.00 0.00 O ATOM 328 CB ILE A 25 1.811 -7.909 4.772 1.00 0.00 C ATOM 329 CG1 ILE A 25 1.136 -8.361 6.073 1.00 0.00 C ATOM 330 CG2 ILE A 25 1.289 -8.702 3.571 1.00 0.00 C ATOM 331 CD1 ILE A 25 1.113 -9.876 6.297 1.00 0.00 C ATOM 0 H ILE A 25 2.987 -6.628 6.430 1.00 0.00 H new ATOM 0 HA ILE A 25 3.645 -8.991 5.110 1.00 0.00 H new ATOM 0 HB ILE A 25 1.547 -6.865 4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.649 -7.892 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.110 -7.992 6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.202 -8.631 3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.712 -8.293 2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.581 -9.747 3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.616 -10.097 7.242 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.572 -10.356 5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.135 -10.255 6.327 1.00 0.00 H new ATOM 342 N CYS A 26 3.968 -6.252 3.272 1.00 0.00 N ATOM 343 CA CYS A 26 4.416 -5.806 1.961 1.00 0.00 C ATOM 344 C CYS A 26 5.893 -6.057 1.723 1.00 0.00 C ATOM 345 O CYS A 26 6.270 -6.468 0.631 1.00 0.00 O ATOM 346 CB CYS A 26 3.980 -4.391 1.592 1.00 0.00 C ATOM 347 SG CYS A 26 3.340 -4.399 -0.096 1.00 0.00 S ATOM 0 H CYS A 26 3.649 -5.512 3.898 1.00 0.00 H new ATOM 0 HA CYS A 26 3.883 -6.445 1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.214 -4.040 2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.822 -3.704 1.673 1.00 0.00 H new ATOM 351 N THR A 27 6.738 -5.877 2.733 1.00 0.00 N ATOM 352 CA THR A 27 8.130 -6.296 2.596 1.00 0.00 C ATOM 353 C THR A 27 8.266 -7.823 2.655 1.00 0.00 C ATOM 354 O THR A 27 9.172 -8.367 2.031 1.00 0.00 O ATOM 355 CB THR A 27 9.059 -5.562 3.575 1.00 0.00 C ATOM 356 OG1 THR A 27 10.411 -5.865 3.282 1.00 0.00 O ATOM 357 CG2 THR A 27 8.770 -5.905 5.030 1.00 0.00 C ATOM 0 H THR A 27 6.495 -5.457 3.630 1.00 0.00 H new ATOM 0 HA THR A 27 8.466 -5.998 1.603 1.00 0.00 H new ATOM 0 HB THR A 27 8.873 -4.496 3.445 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.996 -5.392 3.910 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.456 -5.358 5.676 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.744 -5.627 5.272 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.902 -6.976 5.185 1.00 0.00 H new ATOM 365 N LYS A 28 7.414 -8.527 3.411 1.00 0.00 N ATOM 366 CA LYS A 28 7.563 -9.956 3.644 1.00 0.00 C ATOM 367 C LYS A 28 7.238 -10.769 2.385 1.00 0.00 C ATOM 368 O LYS A 28 7.895 -11.776 2.116 1.00 0.00 O ATOM 369 CB LYS A 28 6.679 -10.351 4.840 1.00 0.00 C ATOM 370 CG LYS A 28 7.027 -11.711 5.458 1.00 0.00 C ATOM 371 CD LYS A 28 6.191 -12.835 4.838 1.00 0.00 C ATOM 372 CE LYS A 28 6.567 -14.185 5.465 1.00 0.00 C ATOM 373 NZ LYS A 28 5.811 -15.305 4.868 1.00 0.00 N ATOM 0 H LYS A 28 6.604 -8.115 3.875 1.00 0.00 H new ATOM 0 HA LYS A 28 8.602 -10.184 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.763 -9.583 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.638 -10.367 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.087 -11.919 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.855 -11.678 6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.130 -12.637 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.355 -12.868 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.635 -14.359 5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.377 -14.151 6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.096 -16.197 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.793 -15.153 5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.011 -15.355 3.849 1.00 0.00 H new ATOM 383 N VAL A 29 6.185 -10.386 1.660 1.00 0.00 N ATOM 384 CA VAL A 29 5.585 -11.121 0.578 1.00 0.00 C ATOM 385 C VAL A 29 5.910 -10.429 -0.746 1.00 0.00 C ATOM 386 O VAL A 29 6.461 -11.047 -1.654 1.00 0.00 O ATOM 387 CB VAL A 29 4.076 -11.163 0.878 1.00 0.00 C ATOM 388 CG1 VAL A 29 3.279 -11.556 -0.353 1.00 0.00 C ATOM 389 CG2 VAL A 29 3.768 -12.120 2.035 1.00 0.00 C ATOM 0 H VAL A 29 5.711 -9.500 1.834 1.00 0.00 H new ATOM 0 HA VAL A 29 5.966 -12.138 0.490 1.00 0.00 H new ATOM 0 HB VAL A 29 3.777 -10.157 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.217 -11.576 -0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.454 -10.830 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.593 -12.544 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.695 -12.129 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.099 -13.125 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.292 -11.788 2.931 1.00 0.00 H new ATOM 399 N TYR A 30 5.524 -9.158 -0.876 1.00 0.00 N ATOM 400 CA TYR A 30 5.572 -8.426 -2.121 1.00 0.00 C ATOM 401 C TYR A 30 6.972 -7.853 -2.383 1.00 0.00 C ATOM 402 O TYR A 30 7.344 -7.656 -3.538 1.00 0.00 O ATOM 403 CB TYR A 30 4.529 -7.312 -2.039 1.00 0.00 C ATOM 404 CG TYR A 30 3.072 -7.743 -2.001 1.00 0.00 C ATOM 405 CD1 TYR A 30 2.430 -7.985 -0.772 1.00 0.00 C ATOM 406 CD2 TYR A 30 2.309 -7.715 -3.182 1.00 0.00 C ATOM 407 CE1 TYR A 30 1.029 -8.085 -0.711 1.00 0.00 C ATOM 408 CE2 TYR A 30 0.911 -7.825 -3.123 1.00 0.00 C ATOM 409 CZ TYR A 30 0.264 -7.971 -1.884 1.00 0.00 C ATOM 410 OH TYR A 30 -1.099 -7.986 -1.820 1.00 0.00 O ATOM 0 H TYR A 30 5.164 -8.607 -0.097 1.00 0.00 H new ATOM 0 HA TYR A 30 5.352 -9.093 -2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.732 -6.720 -1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 30 4.667 -6.653 -2.896 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.016 -8.094 0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.801 -7.608 -4.138 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.540 -8.250 0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.330 -7.797 -4.033 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.439 -7.068 -1.871 1.00 0.00 H new ATOM 419 N TYR A 31 7.715 -7.569 -1.311 1.00 0.00 N ATOM 420 CA TYR A 31 9.010 -6.903 -1.289 1.00 0.00 C ATOM 421 C TYR A 31 8.918 -5.428 -1.674 1.00 0.00 C ATOM 422 O TYR A 31 9.748 -4.923 -2.425 1.00 0.00 O ATOM 423 CB TYR A 31 10.118 -7.703 -1.962 1.00 0.00 C ATOM 424 CG TYR A 31 10.454 -8.987 -1.230 1.00 0.00 C ATOM 425 CD1 TYR A 31 9.603 -10.101 -1.353 1.00 0.00 C ATOM 426 CD2 TYR A 31 11.453 -8.982 -0.238 1.00 0.00 C ATOM 427 CE1 TYR A 31 9.656 -11.133 -0.402 1.00 0.00 C ATOM 428 CE2 TYR A 31 11.546 -10.046 0.675 1.00 0.00 C ATOM 429 CZ TYR A 31 10.599 -11.080 0.638 1.00 0.00 C ATOM 430 OH TYR A 31 10.541 -11.982 1.655 1.00 0.00 O ATOM 0 H TYR A 31 7.402 -7.817 -0.373 1.00 0.00 H new ATOM 0 HA TYR A 31 9.336 -6.879 -0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.817 -7.942 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.014 -7.086 -2.030 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.909 -10.162 -2.179 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.149 -8.159 -0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.973 -11.966 -0.470 1.00 0.00 H new ATOM 0 HE2 TYR A 31 12.344 -10.068 1.403 1.00 0.00 H new ATOM 0 HH TYR A 31 9.618 -12.054 1.976 1.00 0.00 H new ATOM 439 N ALA A 32 7.945 -4.714 -1.096 1.00 0.00 N ATOM 440 CA ALA A 32 7.940 -3.267 -1.057 1.00 0.00 C ATOM 441 C ALA A 32 8.557 -2.846 0.280 1.00 0.00 C ATOM 442 O ALA A 32 8.260 -3.447 1.307 1.00 0.00 O ATOM 443 CB ALA A 32 6.497 -2.807 -1.173 1.00 0.00 C ATOM 0 H ALA A 32 7.137 -5.139 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 32 8.514 -2.822 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.459 -1.718 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.076 -3.162 -2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.919 -3.210 -0.342 1.00 0.00 H new ATOM 449 N THR A 33 9.425 -1.837 0.279 1.00 0.00 N ATOM 450 CA THR A 33 10.350 -1.564 1.379 1.00 0.00 C ATOM 451 C THR A 33 9.711 -0.844 2.573 1.00 0.00 C ATOM 452 O THR A 33 10.393 -0.616 3.571 1.00 0.00 O ATOM 453 CB THR A 33 11.577 -0.800 0.853 1.00 0.00 C ATOM 454 OG1 THR A 33 12.572 -0.732 1.855 1.00 0.00 O ATOM 455 CG2 THR A 33 11.253 0.623 0.384 1.00 0.00 C ATOM 0 H THR A 33 9.508 -1.177 -0.495 1.00 0.00 H new ATOM 0 HA THR A 33 10.662 -2.532 1.771 1.00 0.00 H new ATOM 0 HB THR A 33 11.932 -1.358 -0.013 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.146 -0.655 2.734 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.163 1.104 0.026 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.522 0.582 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.843 1.196 1.216 1.00 0.00 H new ATOM 463 N SER A 34 8.447 -0.434 2.464 1.00 0.00 N ATOM 464 CA SER A 34 7.631 0.188 3.503 1.00 0.00 C ATOM 465 C SER A 34 6.186 0.089 3.009 1.00 0.00 C ATOM 466 O SER A 34 5.955 -0.530 1.971 1.00 0.00 O ATOM 467 CB SER A 34 8.067 1.642 3.759 1.00 0.00 C ATOM 468 OG SER A 34 9.264 1.692 4.509 1.00 0.00 O ATOM 0 H SER A 34 7.933 -0.535 1.589 1.00 0.00 H new ATOM 0 HA SER A 34 7.744 -0.314 4.464 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.209 2.155 2.808 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.278 2.173 4.292 1.00 0.00 H new ATOM 0 HG SER A 34 9.816 0.911 4.296 1.00 0.00 H new ATOM 473 N GLY A 35 5.227 0.701 3.711 1.00 0.00 N ATOM 474 CA GLY A 35 3.796 0.550 3.476 1.00 0.00 C ATOM 475 C GLY A 35 3.092 0.844 4.785 1.00 0.00 C ATOM 476 O GLY A 35 3.755 1.181 5.765 1.00 0.00 O ATOM 0 H GLY A 35 5.437 1.335 4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.460 1.234 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.567 -0.459 3.134 1.00 0.00 H new ATOM 480 N TYR A 36 1.766 0.728 4.789 1.00 0.00 N ATOM 481 CA TYR A 36 0.923 0.962 5.949 1.00 0.00 C ATOM 482 C TYR A 36 -0.538 0.840 5.532 1.00 0.00 C ATOM 483 O TYR A 36 -0.859 0.831 4.343 1.00 0.00 O ATOM 484 CB TYR A 36 1.223 2.311 6.636 1.00 0.00 C ATOM 485 CG TYR A 36 1.467 3.485 5.716 1.00 0.00 C ATOM 486 CD1 TYR A 36 0.504 3.878 4.769 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.694 4.162 5.785 1.00 0.00 C ATOM 488 CE1 TYR A 36 0.835 4.832 3.794 1.00 0.00 C ATOM 489 CE2 TYR A 36 3.005 5.138 4.831 1.00 0.00 C ATOM 490 CZ TYR A 36 2.101 5.430 3.807 1.00 0.00 C ATOM 491 OH TYR A 36 2.509 6.253 2.808 1.00 0.00 O ATOM 0 H TYR A 36 1.237 0.461 3.959 1.00 0.00 H new ATOM 0 HA TYR A 36 1.143 0.203 6.700 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.387 2.556 7.291 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.099 2.185 7.272 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.486 3.447 4.792 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.397 3.931 6.572 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.115 5.104 3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.945 5.666 4.887 1.00 0.00 H new ATOM 0 HH TYR A 36 1.888 6.184 2.053 1.00 0.00 H new ATOM 500 N CYS A 37 -1.412 0.718 6.528 1.00 0.00 N ATOM 501 CA CYS A 37 -2.848 0.611 6.338 1.00 0.00 C ATOM 502 C CYS A 37 -3.358 2.015 6.029 1.00 0.00 C ATOM 503 O CYS A 37 -3.679 2.787 6.928 1.00 0.00 O ATOM 504 CB CYS A 37 -3.491 -0.024 7.578 1.00 0.00 C ATOM 505 SG CYS A 37 -2.778 -1.648 7.952 1.00 0.00 S ATOM 0 H CYS A 37 -1.131 0.691 7.508 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.113 -0.043 5.508 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.358 0.637 8.435 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.564 -0.127 7.418 1.00 0.00 H new ATOM 509 N CYS A 38 -3.343 2.372 4.744 1.00 0.00 N ATOM 510 CA CYS A 38 -3.841 3.649 4.257 1.00 0.00 C ATOM 511 C CYS A 38 -5.363 3.667 4.397 1.00 0.00 C ATOM 512 O CYS A 38 -5.977 2.606 4.470 1.00 0.00 O ATOM 513 CB CYS A 38 -3.420 3.826 2.792 1.00 0.00 C ATOM 514 SG CYS A 38 -4.097 5.277 1.950 1.00 0.00 S ATOM 0 H CYS A 38 -2.978 1.770 4.006 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.425 4.473 4.837 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.332 3.879 2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.717 2.936 2.238 1.00 0.00 H new ATOM 518 N LEU A 39 -5.946 4.872 4.400 1.00 0.00 N ATOM 519 CA LEU A 39 -7.361 5.235 4.434 1.00 0.00 C ATOM 520 C LEU A 39 -8.346 4.065 4.318 1.00 0.00 C ATOM 521 O LEU A 39 -9.206 3.900 5.178 1.00 0.00 O ATOM 522 CB LEU A 39 -7.624 6.307 3.354 1.00 0.00 C ATOM 523 CG LEU A 39 -8.446 7.500 3.869 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.498 8.589 2.791 1.00 0.00 C ATOM 525 CD2 LEU A 39 -9.873 7.092 4.251 1.00 0.00 C ATOM 0 H LEU A 39 -5.366 5.711 4.376 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.556 5.631 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.670 6.670 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.149 5.848 2.516 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.956 7.878 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.081 9.435 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.486 8.919 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.965 8.188 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.418 7.966 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.380 6.681 3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.838 6.339 5.038 1.00 0.00 H new ATOM 536 N LEU A 40 -8.244 3.275 3.243 1.00 0.00 N ATOM 537 CA LEU A 40 -9.026 2.054 3.095 1.00 0.00 C ATOM 538 C LEU A 40 -8.318 1.013 2.214 1.00 0.00 C ATOM 539 O LEU A 40 -8.971 0.333 1.426 1.00 0.00 O ATOM 540 CB LEU A 40 -10.453 2.401 2.628 1.00 0.00 C ATOM 541 CG LEU A 40 -10.591 3.384 1.469 1.00 0.00 C ATOM 542 CD1 LEU A 40 -9.878 2.960 0.181 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.075 3.635 1.175 1.00 0.00 C ATOM 0 H LEU A 40 -7.620 3.467 2.459 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.116 1.570 4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.950 1.473 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.998 2.806 3.481 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.094 4.297 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.031 3.719 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.811 2.850 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.284 2.009 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.168 4.337 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.557 2.694 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.556 4.052 2.060 1.00 0.00 H new ATOM 554 N SER A 41 -6.991 0.874 2.324 1.00 0.00 N ATOM 555 CA SER A 41 -6.250 -0.166 1.610 1.00 0.00 C ATOM 556 C SER A 41 -4.808 -0.248 2.114 1.00 0.00 C ATOM 557 O SER A 41 -4.414 0.463 3.039 1.00 0.00 O ATOM 558 CB SER A 41 -6.259 0.085 0.094 1.00 0.00 C ATOM 559 OG SER A 41 -5.755 -1.032 -0.620 1.00 0.00 O ATOM 0 H SER A 41 -6.407 1.475 2.906 1.00 0.00 H new ATOM 0 HA SER A 41 -6.748 -1.116 1.806 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.276 0.300 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.658 0.965 -0.134 1.00 0.00 H new ATOM 0 HG SER A 41 -5.501 -0.754 -1.525 1.00 0.00 H new ATOM 564 N CYS A 42 -4.011 -1.088 1.451 1.00 0.00 N ATOM 565 CA CYS A 42 -2.675 -1.473 1.871 1.00 0.00 C ATOM 566 C CYS A 42 -1.611 -0.843 0.991 1.00 0.00 C ATOM 567 O CYS A 42 -1.288 -1.302 -0.112 1.00 0.00 O ATOM 568 CB CYS A 42 -2.579 -2.998 1.901 1.00 0.00 C ATOM 569 SG CYS A 42 -1.258 -3.656 2.933 1.00 0.00 S ATOM 0 H CYS A 42 -4.294 -1.531 0.577 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.490 -1.097 2.877 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.529 -3.400 2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.438 -3.358 0.882 1.00 0.00 H new ATOM 573 N TYR A 43 -1.083 0.255 1.522 1.00 0.00 N ATOM 574 CA TYR A 43 0.006 0.976 0.925 1.00 0.00 C ATOM 575 C TYR A 43 1.272 0.189 1.113 1.00 0.00 C ATOM 576 O TYR A 43 1.459 -0.456 2.146 1.00 0.00 O ATOM 577 CB TYR A 43 0.203 2.303 1.631 1.00 0.00 C ATOM 578 CG TYR A 43 0.613 3.423 0.691 1.00 0.00 C ATOM 579 CD1 TYR A 43 -0.273 3.894 -0.293 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.945 3.863 0.687 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.185 4.775 -1.292 1.00 0.00 C ATOM 582 CE2 TYR A 43 2.359 4.859 -0.211 1.00 0.00 C ATOM 583 CZ TYR A 43 1.482 5.310 -1.214 1.00 0.00 C ATOM 584 OH TYR A 43 1.874 6.264 -2.106 1.00 0.00 O ATOM 0 H TYR A 43 -1.415 0.666 2.395 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.218 1.134 -0.130 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.723 2.580 2.135 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.964 2.188 2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.306 3.580 -0.283 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.655 3.433 1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.460 5.039 -2.117 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.351 5.279 -0.132 1.00 0.00 H new ATOM 0 HH TYR A 43 2.019 5.852 -2.983 1.00 0.00 H new ATOM 593 N CYS A 44 2.149 0.335 0.135 1.00 0.00 N ATOM 594 CA CYS A 44 3.427 -0.287 0.022 1.00 0.00 C ATOM 595 C CYS A 44 4.357 0.759 -0.601 1.00 0.00 C ATOM 596 O CYS A 44 3.849 1.732 -1.160 1.00 0.00 O ATOM 597 CB CYS A 44 3.160 -1.463 -0.880 1.00 0.00 C ATOM 598 SG CYS A 44 2.123 -2.741 -0.145 1.00 0.00 S ATOM 0 H CYS A 44 1.955 0.945 -0.659 1.00 0.00 H new ATOM 0 HA CYS A 44 3.893 -0.625 0.948 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.683 -1.105 -1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.112 -1.907 -1.171 1.00 0.00 H new ATOM 602 N PHE A 45 5.682 0.578 -0.535 1.00 0.00 N ATOM 603 CA PHE A 45 6.680 1.456 -1.145 1.00 0.00 C ATOM 604 C PHE A 45 7.666 0.696 -2.034 1.00 0.00 C ATOM 605 O PHE A 45 8.345 -0.209 -1.564 1.00 0.00 O ATOM 606 CB PHE A 45 7.449 2.216 -0.064 1.00 0.00 C ATOM 607 CG PHE A 45 6.713 3.398 0.537 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.663 3.176 1.440 1.00 0.00 C ATOM 609 CD2 PHE A 45 7.103 4.718 0.243 1.00 0.00 C ATOM 610 CE1 PHE A 45 5.072 4.249 2.119 1.00 0.00 C ATOM 611 CE2 PHE A 45 6.453 5.799 0.867 1.00 0.00 C ATOM 612 CZ PHE A 45 5.440 5.568 1.814 1.00 0.00 C ATOM 0 H PHE A 45 6.099 -0.210 -0.039 1.00 0.00 H new ATOM 0 HA PHE A 45 6.137 2.157 -1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.703 1.521 0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.388 2.570 -0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.308 2.171 1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.901 4.901 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.330 4.060 2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.734 6.811 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.950 6.398 2.302 1.00 0.00 H new ATOM 621 N GLY A 46 7.792 1.094 -3.304 1.00 0.00 N ATOM 622 CA GLY A 46 8.756 0.497 -4.228 1.00 0.00 C ATOM 623 C GLY A 46 8.259 -0.843 -4.769 1.00 0.00 C ATOM 624 O GLY A 46 9.005 -1.815 -4.842 1.00 0.00 O ATOM 0 H GLY A 46 7.229 1.837 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.938 1.180 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.709 0.354 -3.719 1.00 0.00 H new ATOM 628 N LEU A 47 6.982 -0.884 -5.144 1.00 0.00 N ATOM 629 CA LEU A 47 6.268 -1.990 -5.697 1.00 0.00 C ATOM 630 C LEU A 47 6.904 -2.415 -7.010 1.00 0.00 C ATOM 631 O LEU A 47 7.227 -1.589 -7.864 1.00 0.00 O ATOM 632 CB LEU A 47 4.830 -1.512 -5.935 1.00 0.00 C ATOM 633 CG LEU A 47 4.098 -1.153 -4.634 1.00 0.00 C ATOM 634 CD1 LEU A 47 4.705 -0.162 -3.680 1.00 0.00 C ATOM 635 CD2 LEU A 47 2.600 -0.947 -4.853 1.00 0.00 C ATOM 0 H LEU A 47 6.385 -0.062 -5.053 1.00 0.00 H new ATOM 0 HA LEU A 47 6.288 -2.848 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.846 -0.641 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.274 -2.292 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 47 4.260 -2.063 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.047 -0.035 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.675 -0.528 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.833 0.796 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.125 -0.695 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.444 -0.135 -5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.160 -1.863 -5.247 1.00 0.00 H new ATOM 646 N ASP A 48 7.000 -3.728 -7.170 1.00 0.00 N ATOM 647 CA ASP A 48 7.180 -4.361 -8.456 1.00 0.00 C ATOM 648 C ASP A 48 5.970 -4.023 -9.319 1.00 0.00 C ATOM 649 O ASP A 48 4.961 -3.480 -8.864 1.00 0.00 O ATOM 650 CB ASP A 48 7.263 -5.868 -8.223 1.00 0.00 C ATOM 651 CG ASP A 48 7.698 -6.765 -9.361 1.00 0.00 C ATOM 652 OD1 ASP A 48 8.040 -6.235 -10.436 1.00 0.00 O ATOM 653 OD2 ASP A 48 7.617 -7.987 -9.103 1.00 0.00 O ATOM 0 H ASP A 48 6.953 -4.388 -6.394 1.00 0.00 H new ATOM 0 HA ASP A 48 8.086 -4.018 -8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.949 -6.035 -7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.279 -6.205 -7.897 1.00 0.00 H new ATOM 657 N ASP A 49 6.085 -4.411 -10.569 1.00 0.00 N ATOM 658 CA ASP A 49 5.085 -4.189 -11.606 1.00 0.00 C ATOM 659 C ASP A 49 3.899 -5.113 -11.339 1.00 0.00 C ATOM 660 O ASP A 49 2.762 -4.684 -11.141 1.00 0.00 O ATOM 661 CB ASP A 49 5.721 -4.426 -12.984 1.00 0.00 C ATOM 662 CG ASP A 49 4.949 -3.737 -14.098 1.00 0.00 C ATOM 663 OD1 ASP A 49 3.727 -3.550 -13.941 1.00 0.00 O ATOM 664 OD2 ASP A 49 5.627 -3.297 -15.053 1.00 0.00 O ATOM 0 H ASP A 49 6.907 -4.909 -10.911 1.00 0.00 H new ATOM 0 HA ASP A 49 4.721 -3.162 -11.594 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.748 -4.061 -12.976 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.765 -5.497 -13.183 1.00 0.00 H new ATOM 668 N ASP A 50 4.244 -6.397 -11.219 1.00 0.00 N ATOM 669 CA ASP A 50 3.414 -7.522 -10.813 1.00 0.00 C ATOM 670 C ASP A 50 2.379 -7.177 -9.730 1.00 0.00 C ATOM 671 O ASP A 50 1.273 -7.710 -9.755 1.00 0.00 O ATOM 672 CB ASP A 50 4.381 -8.635 -10.378 1.00 0.00 C ATOM 673 CG ASP A 50 3.724 -9.777 -9.617 1.00 0.00 C ATOM 674 OD1 ASP A 50 2.928 -10.505 -10.243 1.00 0.00 O ATOM 675 OD2 ASP A 50 4.090 -9.925 -8.428 1.00 0.00 O ATOM 0 H ASP A 50 5.197 -6.697 -11.423 1.00 0.00 H new ATOM 0 HA ASP A 50 2.793 -7.844 -11.649 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.872 -9.039 -11.263 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.160 -8.199 -9.753 1.00 0.00 H new ATOM 679 N LYS A 51 2.693 -6.277 -8.785 1.00 0.00 N ATOM 680 CA LYS A 51 1.823 -6.045 -7.644 1.00 0.00 C ATOM 681 C LYS A 51 0.624 -5.160 -8.026 1.00 0.00 C ATOM 682 O LYS A 51 -0.231 -4.905 -7.176 1.00 0.00 O ATOM 683 CB LYS A 51 2.608 -5.486 -6.446 1.00 0.00 C ATOM 684 CG LYS A 51 4.034 -6.030 -6.207 1.00 0.00 C ATOM 685 CD LYS A 51 4.293 -7.485 -6.648 1.00 0.00 C ATOM 686 CE LYS A 51 5.606 -8.100 -6.135 1.00 0.00 C ATOM 687 NZ LYS A 51 6.180 -9.043 -7.126 1.00 0.00 N ATOM 0 H LYS A 51 3.539 -5.707 -8.796 1.00 0.00 H new ATOM 0 HA LYS A 51 1.416 -7.006 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.677 -4.405 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.023 -5.671 -5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.739 -5.383 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.257 -5.950 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.463 -8.104 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.294 -7.523 -7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.324 -7.307 -5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.424 -8.622 -5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.535 -9.889 -6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.445 -9.321 -7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.963 -8.582 -7.631 1.00 0.00 H new ATOM 697 N ALA A 52 0.576 -4.702 -9.289 1.00 0.00 N ATOM 698 CA ALA A 52 -0.591 -4.132 -9.949 1.00 0.00 C ATOM 699 C ALA A 52 -1.196 -2.997 -9.134 1.00 0.00 C ATOM 700 O ALA A 52 -2.348 -3.074 -8.711 1.00 0.00 O ATOM 701 CB ALA A 52 -1.602 -5.245 -10.255 1.00 0.00 C ATOM 0 H ALA A 52 1.394 -4.724 -9.899 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.285 -3.687 -10.896 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.475 -4.818 -10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.141 -5.985 -10.909 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.909 -5.723 -9.325 1.00 0.00 H new ATOM 707 N VAL A 53 -0.404 -1.944 -8.902 1.00 0.00 N ATOM 708 CA VAL A 53 -0.777 -0.912 -7.946 1.00 0.00 C ATOM 709 C VAL A 53 -2.143 -0.318 -8.306 1.00 0.00 C ATOM 710 O VAL A 53 -2.357 0.113 -9.439 1.00 0.00 O ATOM 711 CB VAL A 53 0.321 0.158 -7.726 1.00 0.00 C ATOM 712 CG1 VAL A 53 1.726 -0.357 -8.055 1.00 0.00 C ATOM 713 CG2 VAL A 53 0.122 1.465 -8.502 1.00 0.00 C ATOM 0 H VAL A 53 0.493 -1.790 -9.363 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.873 -1.392 -6.972 1.00 0.00 H new ATOM 0 HB VAL A 53 0.224 0.373 -6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.454 0.436 -7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.960 -1.209 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.765 -0.664 -9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.942 2.148 -8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.104 1.254 -9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.822 1.923 -8.207 1.00 0.00 H new ATOM 723 N LEU A 54 -3.081 -0.326 -7.358 1.00 0.00 N ATOM 724 CA LEU A 54 -4.428 0.155 -7.614 1.00 0.00 C ATOM 725 C LEU A 54 -4.458 1.650 -7.901 1.00 0.00 C ATOM 726 O LEU A 54 -3.509 2.399 -7.673 1.00 0.00 O ATOM 727 CB LEU A 54 -5.377 -0.192 -6.458 1.00 0.00 C ATOM 728 CG LEU A 54 -6.292 -1.386 -6.760 1.00 0.00 C ATOM 729 CD1 LEU A 54 -5.501 -2.616 -7.214 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.097 -1.726 -5.500 1.00 0.00 C ATOM 0 H LEU A 54 -2.927 -0.662 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.778 -0.359 -8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.788 -0.411 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.991 0.678 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.957 -1.107 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.189 -3.437 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.945 -2.377 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.805 -2.911 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.751 -2.574 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.414 -1.981 -4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.699 -0.865 -5.210 1.00 0.00 H new ATOM 741 N LYS A 55 -5.629 2.050 -8.381 1.00 0.00 N ATOM 742 CA LYS A 55 -5.967 3.414 -8.733 1.00 0.00 C ATOM 743 C LYS A 55 -6.482 4.110 -7.478 1.00 0.00 C ATOM 744 O LYS A 55 -7.326 3.553 -6.776 1.00 0.00 O ATOM 745 CB LYS A 55 -6.963 3.450 -9.905 1.00 0.00 C ATOM 746 CG LYS A 55 -8.303 2.746 -9.638 1.00 0.00 C ATOM 747 CD LYS A 55 -9.203 2.852 -10.877 1.00 0.00 C ATOM 748 CE LYS A 55 -10.558 2.176 -10.618 1.00 0.00 C ATOM 749 NZ LYS A 55 -11.459 2.261 -11.789 1.00 0.00 N ATOM 0 H LYS A 55 -6.399 1.400 -8.541 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.089 3.953 -9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.161 4.490 -10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.495 2.990 -10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.131 1.698 -9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.797 3.199 -8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.356 3.900 -11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.713 2.383 -11.730 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.396 1.129 -10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.037 2.644 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.361 1.792 -11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.636 3.260 -12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.015 1.791 -12.604 1.00 0.00 H new ATOM 759 N ILE A 56 -5.939 5.286 -7.168 1.00 0.00 N ATOM 760 CA ILE A 56 -6.121 5.926 -5.881 1.00 0.00 C ATOM 761 C ILE A 56 -6.526 7.390 -6.022 1.00 0.00 C ATOM 762 O ILE A 56 -6.045 8.099 -6.903 1.00 0.00 O ATOM 763 CB ILE A 56 -4.840 5.757 -5.047 1.00 0.00 C ATOM 764 CG1 ILE A 56 -3.551 5.746 -5.885 1.00 0.00 C ATOM 765 CG2 ILE A 56 -4.950 4.450 -4.272 1.00 0.00 C ATOM 766 CD1 ILE A 56 -2.283 5.722 -5.031 1.00 0.00 C ATOM 0 H ILE A 56 -5.357 5.820 -7.813 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.946 5.440 -5.359 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.764 6.620 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.558 4.875 -6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.534 6.627 -6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.052 4.307 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.822 4.487 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.055 3.620 -4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.407 5.715 -5.680 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.256 6.607 -4.395 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.280 4.827 -4.409 1.00 0.00 H new ATOM 777 N LYS A 57 -7.423 7.821 -5.129 1.00 0.00 N ATOM 778 CA LYS A 57 -7.887 9.195 -5.033 1.00 0.00 C ATOM 779 C LYS A 57 -6.689 10.105 -4.756 1.00 0.00 C ATOM 780 O LYS A 57 -5.808 9.745 -3.975 1.00 0.00 O ATOM 781 CB LYS A 57 -8.903 9.381 -3.893 1.00 0.00 C ATOM 782 CG LYS A 57 -9.926 8.249 -3.641 1.00 0.00 C ATOM 783 CD LYS A 57 -9.821 7.605 -2.240 1.00 0.00 C ATOM 784 CE LYS A 57 -8.810 6.445 -2.166 1.00 0.00 C ATOM 785 NZ LYS A 57 -8.473 6.043 -0.781 1.00 0.00 N ATOM 0 H LYS A 57 -7.852 7.204 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.373 9.448 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.345 9.538 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.460 10.297 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.932 8.647 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.789 7.475 -4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.536 8.371 -1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.804 7.238 -1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.217 5.584 -2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.896 6.736 -2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.777 5.271 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.072 6.856 -0.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.333 5.719 -0.294 1.00 0.00 H new ATOM 795 N ASP A 58 -6.688 11.307 -5.326 1.00 0.00 N ATOM 796 CA ASP A 58 -5.526 12.181 -5.240 1.00 0.00 C ATOM 797 C ASP A 58 -5.229 12.525 -3.791 1.00 0.00 C ATOM 798 O ASP A 58 -4.147 12.274 -3.270 1.00 0.00 O ATOM 799 CB ASP A 58 -5.721 13.456 -6.058 1.00 0.00 C ATOM 800 CG ASP A 58 -4.358 14.075 -6.315 1.00 0.00 C ATOM 801 OD1 ASP A 58 -3.681 14.472 -5.341 1.00 0.00 O ATOM 802 OD2 ASP A 58 -3.888 14.019 -7.472 1.00 0.00 O ATOM 0 H ASP A 58 -7.474 11.694 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.675 11.643 -5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.218 13.229 -7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.360 14.157 -5.521 1.00 0.00 H new ATOM 806 N ALA A 59 -6.258 13.018 -3.111 1.00 0.00 N ATOM 807 CA ALA A 59 -6.192 13.273 -1.684 1.00 0.00 C ATOM 808 C ALA A 59 -5.626 12.077 -0.914 1.00 0.00 C ATOM 809 O ALA A 59 -4.872 12.278 0.039 1.00 0.00 O ATOM 810 CB ALA A 59 -7.575 13.668 -1.159 1.00 0.00 C ATOM 0 H ALA A 59 -7.156 13.250 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.505 14.103 -1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.517 13.858 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.914 14.570 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.280 12.858 -1.346 1.00 0.00 H new ATOM 816 N THR A 60 -5.937 10.837 -1.324 1.00 0.00 N ATOM 817 CA THR A 60 -5.363 9.690 -0.654 1.00 0.00 C ATOM 818 C THR A 60 -3.860 9.654 -0.925 1.00 0.00 C ATOM 819 O THR A 60 -3.130 9.312 -0.006 1.00 0.00 O ATOM 820 CB THR A 60 -6.086 8.379 -1.023 1.00 0.00 C ATOM 821 OG1 THR A 60 -6.580 7.699 0.119 1.00 0.00 O ATOM 822 CG2 THR A 60 -5.203 7.409 -1.804 1.00 0.00 C ATOM 0 H THR A 60 -6.567 10.619 -2.096 1.00 0.00 H new ATOM 0 HA THR A 60 -5.508 9.789 0.422 1.00 0.00 H new ATOM 0 HB THR A 60 -6.916 8.693 -1.656 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.172 6.809 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.769 6.506 -2.034 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.878 7.879 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.331 7.148 -1.205 1.00 0.00 H new ATOM 830 N LYS A 61 -3.377 9.959 -2.141 1.00 0.00 N ATOM 831 CA LYS A 61 -1.963 9.885 -2.418 1.00 0.00 C ATOM 832 C LYS A 61 -1.210 10.765 -1.443 1.00 0.00 C ATOM 833 O LYS A 61 -0.340 10.303 -0.722 1.00 0.00 O ATOM 834 CB LYS A 61 -1.704 10.235 -3.885 1.00 0.00 C ATOM 835 CG LYS A 61 -1.354 11.671 -4.327 1.00 0.00 C ATOM 836 CD LYS A 61 -1.554 11.709 -5.842 1.00 0.00 C ATOM 837 CE LYS A 61 -0.730 12.807 -6.536 1.00 0.00 C ATOM 838 NZ LYS A 61 -1.458 14.095 -6.578 1.00 0.00 N ATOM 0 H LYS A 61 -3.952 10.255 -2.930 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.594 8.870 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.891 9.593 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.594 9.942 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.996 12.399 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.326 11.920 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.283 10.740 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.611 11.866 -6.058 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.215 12.940 -6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.488 12.493 -7.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.784 14.869 -6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.159 14.073 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.943 14.250 -5.671 1.00 0.00 H new ATOM 848 N SER A 62 -1.623 12.026 -1.383 1.00 0.00 N ATOM 849 CA SER A 62 -1.034 12.990 -0.462 1.00 0.00 C ATOM 850 C SER A 62 -1.069 12.439 0.969 1.00 0.00 C ATOM 851 O SER A 62 -0.028 12.286 1.610 1.00 0.00 O ATOM 852 CB SER A 62 -1.751 14.342 -0.596 1.00 0.00 C ATOM 853 OG SER A 62 -1.033 15.366 0.066 1.00 0.00 O ATOM 0 H SER A 62 -2.369 12.406 -1.966 1.00 0.00 H new ATOM 0 HA SER A 62 0.014 13.155 -0.713 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.863 14.595 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.755 14.268 -0.178 1.00 0.00 H new ATOM 0 HG SER A 62 -1.509 16.217 -0.035 1.00 0.00 H new ATOM 858 N TYR A 63 -2.276 12.118 1.450 1.00 0.00 N ATOM 859 CA TYR A 63 -2.505 11.600 2.793 1.00 0.00 C ATOM 860 C TYR A 63 -1.618 10.397 3.098 1.00 0.00 C ATOM 861 O TYR A 63 -1.179 10.219 4.231 1.00 0.00 O ATOM 862 CB TYR A 63 -3.974 11.186 2.920 1.00 0.00 C ATOM 863 CG TYR A 63 -4.397 10.764 4.316 1.00 0.00 C ATOM 864 CD1 TYR A 63 -4.239 11.646 5.400 1.00 0.00 C ATOM 865 CD2 TYR A 63 -4.918 9.474 4.538 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.554 11.226 6.704 1.00 0.00 C ATOM 867 CE2 TYR A 63 -5.223 9.052 5.843 1.00 0.00 C ATOM 868 CZ TYR A 63 -5.033 9.924 6.927 1.00 0.00 C ATOM 869 OH TYR A 63 -5.328 9.506 8.188 1.00 0.00 O ATOM 0 H TYR A 63 -3.132 12.215 0.903 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.258 12.386 3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.601 12.019 2.602 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.166 10.362 2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.875 12.648 5.230 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.083 8.808 3.704 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.428 11.904 7.535 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.604 8.056 6.013 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.648 8.580 8.159 1.00 0.00 H new ATOM 878 N CYS A 64 -1.418 9.549 2.091 1.00 0.00 N ATOM 879 CA CYS A 64 -0.745 8.265 2.194 1.00 0.00 C ATOM 880 C CYS A 64 0.572 8.240 1.417 1.00 0.00 C ATOM 881 O CYS A 64 0.930 7.184 0.910 1.00 0.00 O ATOM 882 CB CYS A 64 -1.686 7.137 1.747 1.00 0.00 C ATOM 883 SG CYS A 64 -3.125 6.893 2.811 1.00 0.00 S ATOM 0 H CYS A 64 -1.736 9.751 1.143 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.487 8.106 3.241 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.031 7.349 0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.121 6.206 1.703 1.00 0.00 H new ATOM 887 N ASP A 65 1.324 9.347 1.362 1.00 0.00 N ATOM 888 CA ASP A 65 2.685 9.372 0.823 1.00 0.00 C ATOM 889 C ASP A 65 3.627 10.116 1.775 1.00 0.00 C ATOM 890 O ASP A 65 4.618 9.565 2.272 1.00 0.00 O ATOM 891 CB ASP A 65 2.639 10.043 -0.547 1.00 0.00 C ATOM 892 CG ASP A 65 4.003 10.069 -1.205 1.00 0.00 C ATOM 893 OD1 ASP A 65 4.751 11.017 -0.898 1.00 0.00 O ATOM 894 OD2 ASP A 65 4.272 9.137 -1.995 1.00 0.00 O ATOM 0 H ASP A 65 1.000 10.256 1.693 1.00 0.00 H new ATOM 0 HA ASP A 65 3.070 8.358 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.936 9.512 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.267 11.062 -0.441 1.00 0.00 H new ATOM 898 N VAL A 66 3.251 11.363 2.078 1.00 0.00 N ATOM 899 CA VAL A 66 3.994 12.276 2.941 1.00 0.00 C ATOM 900 C VAL A 66 4.325 11.621 4.287 1.00 0.00 C ATOM 901 O VAL A 66 5.376 11.890 4.865 1.00 0.00 O ATOM 902 CB VAL A 66 3.210 13.591 3.102 1.00 0.00 C ATOM 903 CG1 VAL A 66 3.950 14.579 4.016 1.00 0.00 C ATOM 904 CG2 VAL A 66 2.993 14.270 1.740 1.00 0.00 C ATOM 0 H VAL A 66 2.391 11.775 1.715 1.00 0.00 H new ATOM 0 HA VAL A 66 4.950 12.513 2.475 1.00 0.00 H new ATOM 0 HB VAL A 66 2.250 13.330 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.368 15.496 4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.082 14.133 5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.926 14.810 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.437 15.197 1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.959 14.491 1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.429 13.604 1.087 1.00 0.00 H new ATOM 914 N GLN A 67 3.430 10.732 4.738 1.00 0.00 N ATOM 915 CA GLN A 67 3.585 9.759 5.806 1.00 0.00 C ATOM 916 C GLN A 67 5.047 9.469 6.129 1.00 0.00 C ATOM 917 O GLN A 67 5.524 9.752 7.223 1.00 0.00 O ATOM 918 CB GLN A 67 2.918 8.473 5.303 1.00 0.00 C ATOM 919 CG GLN A 67 1.396 8.560 5.325 1.00 0.00 C ATOM 920 CD GLN A 67 0.765 8.521 6.671 1.00 0.00 C ATOM 921 OE1 GLN A 67 1.299 8.030 7.658 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.483 8.935 6.627 1.00 0.00 N ATOM 0 H GLN A 67 2.500 10.678 4.322 1.00 0.00 H new ATOM 0 HA GLN A 67 3.137 10.145 6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.253 8.267 4.286 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.240 7.635 5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.097 9.484 4.831 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.995 7.737 4.733 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.858 9.334 5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.076 8.857 7.453 1.00 0.00 H new ATOM 929 N ILE A 68 5.726 8.856 5.160 1.00 0.00 N ATOM 930 CA ILE A 68 7.097 8.428 5.255 1.00 0.00 C ATOM 931 C ILE A 68 7.964 9.359 4.401 1.00 0.00 C ATOM 932 O ILE A 68 9.089 9.660 4.793 1.00 0.00 O ATOM 933 CB ILE A 68 7.137 6.935 4.885 1.00 0.00 C ATOM 934 CG1 ILE A 68 6.440 6.167 6.028 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.569 6.455 4.667 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.341 4.650 5.839 1.00 0.00 C ATOM 0 H ILE A 68 5.307 8.641 4.255 1.00 0.00 H new ATOM 0 HA ILE A 68 7.516 8.504 6.258 1.00 0.00 H new ATOM 0 HB ILE A 68 6.619 6.757 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.976 6.366 6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.433 6.567 6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.562 5.396 4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.024 7.025 3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.145 6.601 5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.835 4.209 6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.775 4.432 4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.342 4.228 5.752 1.00 0.00 H new ATOM 947 N ILE A 69 7.451 9.872 3.273 1.00 0.00 N ATOM 948 CA ILE A 69 8.167 10.911 2.537 1.00 0.00 C ATOM 949 C ILE A 69 7.937 12.246 3.256 1.00 0.00 C ATOM 950 O ILE A 69 7.419 13.209 2.691 1.00 0.00 O ATOM 951 CB ILE A 69 7.791 10.917 1.041 1.00 0.00 C ATOM 952 CG1 ILE A 69 7.781 9.473 0.505 1.00 0.00 C ATOM 953 CG2 ILE A 69 8.798 11.777 0.255 1.00 0.00 C ATOM 954 CD1 ILE A 69 7.787 9.353 -1.023 1.00 0.00 C ATOM 0 H ILE A 69 6.562 9.589 2.861 1.00 0.00 H new ATOM 0 HA ILE A 69 9.239 10.713 2.534 1.00 0.00 H new ATOM 0 HB ILE A 69 6.796 11.344 0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.651 8.948 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.899 8.963 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.529 11.778 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.779 12.798 0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.800 11.364 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.779 8.300 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.903 9.844 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.683 9.829 -1.422 1.00 0.00 H new