USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 11 SER OG : rot 75:sc= 1.02 USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc=-0.00119 USER MOD Single : A 5 HIS : no HD1:sc= -0.487 X(o=-0.49,f=-0.053) USER MOD Single : A 9 THR OG1 : rot -77:sc= 0.948 USER MOD Single : A 15 SER OG : rot 76:sc= 0.898 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -160:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 1.21 K(o=1.2,f=-0.0015) USER MOD Single : A 26 THR OG1 : rot -76:sc= 1.29 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.12) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= -0.408 K(o=-0.41,f=-1.4) USER MOD Single : A 43 THR OG1 : rot 98:sc= 1.06 USER MOD Single : A 46 SER OG : rot 130:sc= -0.0311 USER MOD Single : A 51 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.24) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -49:sc= 0.127 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -3.956 -12.800 -0.053 1.00 0.00 N ATOM 9 CA SER A 2 -2.517 -12.530 -0.148 1.00 0.00 C ATOM 10 C SER A 2 -2.258 -11.023 -0.053 1.00 0.00 C ATOM 11 O SER A 2 -1.306 -10.557 0.573 1.00 0.00 O ATOM 12 CB SER A 2 -2.061 -13.062 -1.508 1.00 0.00 C ATOM 13 OG SER A 2 -0.667 -13.049 -1.735 1.00 0.00 O ATOM 0 HA SER A 2 -1.970 -13.011 0.663 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.418 -14.086 -1.615 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.543 -12.473 -2.288 1.00 0.00 H new ATOM 0 HG SER A 2 -0.477 -13.408 -2.627 1.00 0.00 H new ATOM 19 N GLU A 3 -3.136 -10.258 -0.691 1.00 0.00 N ATOM 20 CA GLU A 3 -3.052 -8.820 -0.788 1.00 0.00 C ATOM 21 C GLU A 3 -3.407 -8.222 0.579 1.00 0.00 C ATOM 22 O GLU A 3 -2.669 -7.396 1.105 1.00 0.00 O ATOM 23 CB GLU A 3 -3.957 -8.334 -1.938 1.00 0.00 C ATOM 24 CG GLU A 3 -3.636 -8.911 -3.333 1.00 0.00 C ATOM 25 CD GLU A 3 -3.875 -10.417 -3.527 1.00 0.00 C ATOM 26 OE1 GLU A 3 -4.757 -10.975 -2.834 1.00 0.00 O ATOM 27 OE2 GLU A 3 -3.158 -11.047 -4.344 1.00 0.00 O ATOM 0 H GLU A 3 -3.951 -10.643 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.044 -8.485 -1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.990 -8.581 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.893 -7.247 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.233 -8.374 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.590 -8.701 -3.556 1.00 0.00 H new ATOM 34 N GLU A 4 -4.483 -8.708 1.201 1.00 0.00 N ATOM 35 CA GLU A 4 -4.894 -8.335 2.560 1.00 0.00 C ATOM 36 C GLU A 4 -3.752 -8.578 3.553 1.00 0.00 C ATOM 37 O GLU A 4 -3.443 -7.736 4.394 1.00 0.00 O ATOM 38 CB GLU A 4 -6.114 -9.165 2.988 1.00 0.00 C ATOM 39 CG GLU A 4 -7.303 -9.064 2.027 1.00 0.00 C ATOM 40 CD GLU A 4 -8.415 -10.022 2.454 1.00 0.00 C ATOM 41 OE1 GLU A 4 -9.235 -9.666 3.328 1.00 0.00 O ATOM 42 OE2 GLU A 4 -8.437 -11.180 1.980 1.00 0.00 O ATOM 0 H GLU A 4 -5.108 -9.387 0.766 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.151 -7.276 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.817 -10.210 3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.432 -8.841 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.681 -8.042 2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.980 -9.300 1.013 1.00 0.00 H new ATOM 49 N HIS A 5 -3.082 -9.722 3.411 1.00 0.00 N ATOM 50 CA HIS A 5 -1.959 -10.123 4.240 1.00 0.00 C ATOM 51 C HIS A 5 -0.823 -9.114 4.088 1.00 0.00 C ATOM 52 O HIS A 5 -0.116 -8.864 5.065 1.00 0.00 O ATOM 53 CB HIS A 5 -1.555 -11.558 3.857 1.00 0.00 C ATOM 54 CG HIS A 5 -0.258 -12.104 4.414 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.463 -13.112 3.824 1.00 0.00 N ATOM 56 CD2 HIS A 5 0.427 -11.721 5.538 1.00 0.00 C ATOM 57 CE1 HIS A 5 1.565 -13.323 4.555 1.00 0.00 C ATOM 58 NE2 HIS A 5 1.598 -12.490 5.608 1.00 0.00 N ATOM 0 H HIS A 5 -3.317 -10.410 2.695 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.227 -10.128 5.297 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.359 -12.225 4.168 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.500 -11.610 2.770 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.120 -10.963 6.243 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.321 -14.060 4.329 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.329 -12.429 6.317 1.00 0.00 H new ATOM 66 N PHE A 6 -0.633 -8.495 2.916 1.00 0.00 N ATOM 67 CA PHE A 6 0.365 -7.451 2.781 1.00 0.00 C ATOM 68 C PHE A 6 0.001 -6.231 3.638 1.00 0.00 C ATOM 69 O PHE A 6 0.869 -5.686 4.323 1.00 0.00 O ATOM 70 CB PHE A 6 0.569 -7.060 1.311 1.00 0.00 C ATOM 71 CG PHE A 6 1.826 -6.261 0.993 1.00 0.00 C ATOM 72 CD1 PHE A 6 2.826 -6.021 1.952 1.00 0.00 C ATOM 73 CD2 PHE A 6 2.013 -5.771 -0.308 1.00 0.00 C ATOM 74 CE1 PHE A 6 3.987 -5.311 1.623 1.00 0.00 C ATOM 75 CE2 PHE A 6 3.198 -5.094 -0.650 1.00 0.00 C ATOM 76 CZ PHE A 6 4.177 -4.833 0.322 1.00 0.00 C ATOM 0 H PHE A 6 -1.154 -8.702 2.064 1.00 0.00 H new ATOM 0 HA PHE A 6 1.313 -7.846 3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.583 -7.971 0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.296 -6.480 0.988 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.696 -6.390 2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.243 -5.914 -1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.739 -5.132 2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.356 -4.772 -1.669 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.064 -4.271 0.069 1.00 0.00 H new ATOM 86 N VAL A 7 -1.266 -5.808 3.623 1.00 0.00 N ATOM 87 CA VAL A 7 -1.713 -4.701 4.463 1.00 0.00 C ATOM 88 C VAL A 7 -1.373 -5.013 5.917 1.00 0.00 C ATOM 89 O VAL A 7 -0.739 -4.195 6.592 1.00 0.00 O ATOM 90 CB VAL A 7 -3.213 -4.386 4.268 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.573 -3.082 4.990 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.597 -4.243 2.789 1.00 0.00 C ATOM 0 H VAL A 7 -1.996 -6.216 3.039 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.186 -3.795 4.163 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.766 -5.228 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.632 -2.868 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.364 -3.186 6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.979 -2.264 4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.661 -4.022 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.023 -3.432 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.379 -5.174 2.265 1.00 0.00 H new ATOM 102 N GLU A 8 -1.752 -6.208 6.376 1.00 0.00 N ATOM 103 CA GLU A 8 -1.514 -6.605 7.749 1.00 0.00 C ATOM 104 C GLU A 8 -0.019 -6.596 8.058 1.00 0.00 C ATOM 105 O GLU A 8 0.375 -5.941 9.015 1.00 0.00 O ATOM 106 CB GLU A 8 -2.163 -7.952 8.068 1.00 0.00 C ATOM 107 CG GLU A 8 -1.919 -8.291 9.548 1.00 0.00 C ATOM 108 CD GLU A 8 -2.973 -9.222 10.133 1.00 0.00 C ATOM 109 OE1 GLU A 8 -4.054 -8.720 10.542 1.00 0.00 O ATOM 110 OE2 GLU A 8 -2.698 -10.424 10.308 1.00 0.00 O ATOM 0 H GLU A 8 -2.225 -6.912 5.809 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.989 -5.873 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.233 -7.912 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.745 -8.731 7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.938 -8.754 9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.898 -7.368 10.127 1.00 0.00 H new ATOM 117 N THR A 9 0.829 -7.266 7.272 1.00 0.00 N ATOM 118 CA THR A 9 2.234 -7.445 7.606 1.00 0.00 C ATOM 119 C THR A 9 2.937 -6.105 7.784 1.00 0.00 C ATOM 120 O THR A 9 3.765 -5.957 8.693 1.00 0.00 O ATOM 121 CB THR A 9 2.978 -8.233 6.523 1.00 0.00 C ATOM 122 OG1 THR A 9 2.416 -8.190 5.233 1.00 0.00 O ATOM 123 CG2 THR A 9 3.199 -9.695 6.892 1.00 0.00 C ATOM 0 H THR A 9 0.556 -7.697 6.389 1.00 0.00 H new ATOM 0 HA THR A 9 2.255 -8.003 8.542 1.00 0.00 H new ATOM 0 HB THR A 9 3.928 -7.701 6.481 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.644 -8.792 5.192 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.731 -10.198 6.084 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.789 -9.754 7.807 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.236 -10.180 7.049 1.00 0.00 H new ATOM 131 N VAL A 10 2.656 -5.142 6.905 1.00 0.00 N ATOM 132 CA VAL A 10 3.256 -3.831 7.023 1.00 0.00 C ATOM 133 C VAL A 10 2.710 -3.152 8.278 1.00 0.00 C ATOM 134 O VAL A 10 3.495 -2.509 8.964 1.00 0.00 O ATOM 135 CB VAL A 10 3.027 -3.034 5.736 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.599 -1.632 5.825 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.703 -3.662 4.526 1.00 0.00 C ATOM 0 H VAL A 10 2.022 -5.252 6.114 1.00 0.00 H new ATOM 0 HA VAL A 10 4.337 -3.900 7.141 1.00 0.00 H new ATOM 0 HB VAL A 10 1.943 -3.024 5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.413 -1.103 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.122 -1.096 6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.673 -1.688 6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.506 -3.054 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.778 -3.716 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.309 -4.666 4.370 1.00 0.00 H new ATOM 147 N SER A 11 1.443 -3.346 8.651 1.00 0.00 N ATOM 148 CA SER A 11 0.885 -2.827 9.895 1.00 0.00 C ATOM 149 C SER A 11 1.627 -3.365 11.121 1.00 0.00 C ATOM 150 O SER A 11 1.744 -2.683 12.150 1.00 0.00 O ATOM 151 CB SER A 11 -0.602 -3.194 9.973 1.00 0.00 C ATOM 152 OG SER A 11 -1.325 -2.338 10.837 1.00 0.00 O ATOM 0 H SER A 11 0.772 -3.873 8.091 1.00 0.00 H new ATOM 0 HA SER A 11 1.002 -1.743 9.896 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.037 -3.150 8.975 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.702 -4.223 10.319 1.00 0.00 H new ATOM 0 HG SER A 11 -1.460 -1.471 10.401 1.00 0.00 H new ATOM 158 N LEU A 12 2.141 -4.594 11.046 1.00 0.00 N ATOM 159 CA LEU A 12 2.846 -5.190 12.172 1.00 0.00 C ATOM 160 C LEU A 12 4.211 -4.529 12.361 1.00 0.00 C ATOM 161 O LEU A 12 4.613 -4.271 13.494 1.00 0.00 O ATOM 162 CB LEU A 12 2.982 -6.712 12.036 1.00 0.00 C ATOM 163 CG LEU A 12 1.670 -7.450 11.706 1.00 0.00 C ATOM 164 CD1 LEU A 12 1.890 -8.956 11.571 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.524 -7.183 12.687 1.00 0.00 C ATOM 0 H LEU A 12 2.081 -5.190 10.220 1.00 0.00 H new ATOM 0 HA LEU A 12 2.245 -5.009 13.063 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.711 -6.929 11.256 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.383 -7.112 12.967 1.00 0.00 H new ATOM 0 HG LEU A 12 1.361 -7.034 10.747 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.943 -9.443 11.338 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.604 -9.149 10.770 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.281 -9.352 12.508 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.358 -7.743 12.377 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.821 -7.498 13.687 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.293 -6.118 12.696 1.00 0.00 H new ATOM 177 N ALA A 13 4.917 -4.236 11.265 1.00 0.00 N ATOM 178 CA ALA A 13 6.187 -3.513 11.299 1.00 0.00 C ATOM 179 C ALA A 13 5.988 -2.001 11.477 1.00 0.00 C ATOM 180 O ALA A 13 6.868 -1.306 11.989 1.00 0.00 O ATOM 181 CB ALA A 13 6.954 -3.802 10.005 1.00 0.00 C ATOM 0 H ALA A 13 4.620 -4.496 10.325 1.00 0.00 H new ATOM 0 HA ALA A 13 6.757 -3.859 12.161 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.904 -3.268 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.141 -4.873 9.924 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.364 -3.471 9.151 1.00 0.00 H new ATOM 187 N GLY A 14 4.839 -1.470 11.061 1.00 0.00 N ATOM 188 CA GLY A 14 4.603 -0.047 10.871 1.00 0.00 C ATOM 189 C GLY A 14 5.345 0.531 9.664 1.00 0.00 C ATOM 190 O GLY A 14 5.401 1.750 9.516 1.00 0.00 O ATOM 0 H GLY A 14 4.023 -2.041 10.841 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.534 0.124 10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.910 0.489 11.769 1.00 0.00 H new ATOM 194 N SER A 15 5.943 -0.286 8.789 1.00 0.00 N ATOM 195 CA SER A 15 6.782 0.202 7.698 1.00 0.00 C ATOM 196 C SER A 15 7.125 -0.947 6.737 1.00 0.00 C ATOM 197 O SER A 15 6.929 -2.123 7.061 1.00 0.00 O ATOM 198 CB SER A 15 7.995 0.924 8.336 1.00 0.00 C ATOM 199 OG SER A 15 9.239 0.706 7.704 1.00 0.00 O ATOM 0 H SER A 15 5.857 -1.302 8.821 1.00 0.00 H new ATOM 0 HA SER A 15 6.272 0.930 7.067 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.794 1.995 8.343 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.076 0.608 9.376 1.00 0.00 H new ATOM 0 HG SER A 15 9.282 1.230 6.877 1.00 0.00 H new ATOM 205 N TYR A 16 7.617 -0.612 5.537 1.00 0.00 N ATOM 206 CA TYR A 16 8.098 -1.574 4.540 1.00 0.00 C ATOM 207 C TYR A 16 9.297 -1.004 3.797 1.00 0.00 C ATOM 208 O TYR A 16 9.168 0.067 3.201 1.00 0.00 O ATOM 209 CB TYR A 16 7.002 -1.916 3.522 1.00 0.00 C ATOM 210 CG TYR A 16 7.361 -3.091 2.633 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.171 -4.396 3.118 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.903 -2.898 1.346 1.00 0.00 C ATOM 213 CE1 TYR A 16 7.463 -5.502 2.308 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.227 -4.004 0.534 1.00 0.00 C ATOM 215 CZ TYR A 16 7.995 -5.317 1.013 1.00 0.00 C ATOM 216 OH TYR A 16 8.285 -6.402 0.241 1.00 0.00 O ATOM 0 H TYR A 16 7.693 0.357 5.227 1.00 0.00 H new ATOM 0 HA TYR A 16 8.384 -2.482 5.071 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.077 -2.140 4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.808 -1.043 2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.798 -4.548 4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.071 -1.896 0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 16 7.280 -6.501 2.676 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.650 -3.851 -0.448 1.00 0.00 H new ATOM 0 HH TYR A 16 8.642 -6.104 -0.622 1.00 0.00 H new ATOM 226 N ARG A 17 10.421 -1.729 3.771 1.00 0.00 N ATOM 227 CA ARG A 17 11.721 -1.329 3.221 1.00 0.00 C ATOM 228 C ARG A 17 12.200 -0.007 3.810 1.00 0.00 C ATOM 229 O ARG A 17 13.017 0.008 4.728 1.00 0.00 O ATOM 230 CB ARG A 17 11.704 -1.300 1.682 1.00 0.00 C ATOM 231 CG ARG A 17 11.460 -2.673 1.037 1.00 0.00 C ATOM 232 CD ARG A 17 12.587 -3.085 0.091 1.00 0.00 C ATOM 233 NE ARG A 17 13.670 -3.841 0.745 1.00 0.00 N ATOM 234 CZ ARG A 17 14.855 -4.127 0.189 1.00 0.00 C ATOM 235 NH1 ARG A 17 15.255 -3.543 -0.934 1.00 0.00 N ATOM 236 NH2 ARG A 17 15.645 -5.017 0.768 1.00 0.00 N ATOM 0 H ARG A 17 10.448 -2.672 4.159 1.00 0.00 H new ATOM 0 HA ARG A 17 12.444 -2.089 3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.928 -0.610 1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.655 -0.906 1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.354 -3.424 1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.519 -2.650 0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.169 -3.690 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.008 -2.190 -0.368 1.00 0.00 H new ATOM 0 HE ARG A 17 13.504 -4.172 1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.655 -2.858 -1.394 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.162 -3.779 -1.336 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.350 -5.478 1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.549 -5.242 0.353 1.00 0.00 H new ATOM 250 N ASP A 18 11.695 1.099 3.284 1.00 0.00 N ATOM 251 CA ASP A 18 12.080 2.469 3.611 1.00 0.00 C ATOM 252 C ASP A 18 10.853 3.338 3.903 1.00 0.00 C ATOM 253 O ASP A 18 10.975 4.476 4.346 1.00 0.00 O ATOM 254 CB ASP A 18 12.856 3.041 2.418 1.00 0.00 C ATOM 255 CG ASP A 18 14.039 3.894 2.851 1.00 0.00 C ATOM 256 OD1 ASP A 18 15.095 3.279 3.140 1.00 0.00 O ATOM 257 OD2 ASP A 18 13.940 5.137 2.871 1.00 0.00 O ATOM 0 H ASP A 18 10.962 1.065 2.575 1.00 0.00 H new ATOM 0 HA ASP A 18 12.698 2.467 4.509 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.212 2.222 1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.184 3.641 1.805 1.00 0.00 H new ATOM 262 N TRP A 19 9.659 2.812 3.624 1.00 0.00 N ATOM 263 CA TRP A 19 8.381 3.492 3.723 1.00 0.00 C ATOM 264 C TRP A 19 7.803 3.285 5.115 1.00 0.00 C ATOM 265 O TRP A 19 8.238 2.391 5.843 1.00 0.00 O ATOM 266 CB TRP A 19 7.388 2.903 2.712 1.00 0.00 C ATOM 267 CG TRP A 19 7.726 2.951 1.261 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.765 2.333 0.663 1.00 0.00 C ATOM 269 CD2 TRP A 19 6.985 3.621 0.203 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.735 2.597 -0.691 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.668 3.403 -1.028 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.801 4.391 0.158 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.178 3.917 -2.236 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.322 4.938 -1.038 1.00 0.00 C ATOM 275 CH2 TRP A 19 6.003 4.682 -2.236 1.00 0.00 C ATOM 0 H TRP A 19 9.560 1.848 3.306 1.00 0.00 H new ATOM 0 HA TRP A 19 8.538 4.552 3.522 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.226 1.859 2.979 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.436 3.417 2.846 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.504 1.727 1.165 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.417 2.240 -1.360 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.251 4.562 1.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.702 3.725 -3.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.434 5.553 -1.038 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.620 5.077 -3.165 1.00 0.00 H new ATOM 286 N SER A 20 6.740 4.016 5.419 1.00 0.00 N ATOM 287 CA SER A 20 6.059 4.117 6.693 1.00 0.00 C ATOM 288 C SER A 20 4.598 3.754 6.475 1.00 0.00 C ATOM 289 O SER A 20 3.992 4.265 5.537 1.00 0.00 O ATOM 290 CB SER A 20 6.167 5.585 7.105 1.00 0.00 C ATOM 291 OG SER A 20 7.431 5.816 7.688 1.00 0.00 O ATOM 0 H SER A 20 6.296 4.604 4.714 1.00 0.00 H new ATOM 0 HA SER A 20 6.482 3.460 7.453 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.032 6.229 6.236 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.377 5.835 7.813 1.00 0.00 H new ATOM 0 HG SER A 20 7.503 6.757 7.951 1.00 0.00 H new ATOM 297 N TYR A 21 4.033 2.868 7.291 1.00 0.00 N ATOM 298 CA TYR A 21 2.592 2.618 7.325 1.00 0.00 C ATOM 299 C TYR A 21 1.857 3.867 7.837 1.00 0.00 C ATOM 300 O TYR A 21 2.461 4.731 8.473 1.00 0.00 O ATOM 301 CB TYR A 21 2.341 1.398 8.223 1.00 0.00 C ATOM 302 CG TYR A 21 0.953 0.777 8.162 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.624 -0.153 7.156 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.006 1.070 9.157 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.617 -0.816 7.174 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.246 0.430 9.162 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.561 -0.529 8.178 1.00 0.00 C ATOM 308 OH TYR A 21 -2.747 -1.194 8.204 1.00 0.00 O ATOM 0 H TYR A 21 4.563 2.300 7.951 1.00 0.00 H new ATOM 0 HA TYR A 21 2.209 2.407 6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.069 0.629 7.964 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.538 1.689 9.255 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.330 -0.359 6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.241 1.793 9.924 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.846 -1.548 6.414 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.971 0.675 9.924 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.283 -0.878 8.961 1.00 0.00 H new ATOM 318 N SER A 22 0.556 3.962 7.551 1.00 0.00 N ATOM 319 CA SER A 22 -0.360 5.006 7.974 1.00 0.00 C ATOM 320 C SER A 22 -1.689 4.348 8.390 1.00 0.00 C ATOM 321 O SER A 22 -1.722 3.668 9.416 1.00 0.00 O ATOM 322 CB SER A 22 -0.457 6.063 6.864 1.00 0.00 C ATOM 323 OG SER A 22 0.784 6.719 6.655 1.00 0.00 O ATOM 0 H SER A 22 0.090 3.259 6.978 1.00 0.00 H new ATOM 0 HA SER A 22 -0.011 5.547 8.853 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.779 5.589 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.218 6.798 7.127 1.00 0.00 H new ATOM 0 HG SER A 22 0.630 7.571 6.195 1.00 0.00 H new ATOM 329 N GLY A 23 -2.788 4.526 7.649 1.00 0.00 N ATOM 330 CA GLY A 23 -4.051 3.832 7.925 1.00 0.00 C ATOM 331 C GLY A 23 -5.266 4.747 8.055 1.00 0.00 C ATOM 332 O GLY A 23 -6.348 4.314 8.450 1.00 0.00 O ATOM 0 H GLY A 23 -2.828 5.152 6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.238 3.114 7.126 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.942 3.261 8.847 1.00 0.00 H new ATOM 336 N GLN A 24 -5.119 6.022 7.713 1.00 0.00 N ATOM 337 CA GLN A 24 -6.225 6.952 7.589 1.00 0.00 C ATOM 338 C GLN A 24 -7.018 6.548 6.358 1.00 0.00 C ATOM 339 O GLN A 24 -6.486 6.553 5.251 1.00 0.00 O ATOM 340 CB GLN A 24 -5.640 8.359 7.446 1.00 0.00 C ATOM 341 CG GLN A 24 -6.624 9.462 7.055 1.00 0.00 C ATOM 342 CD GLN A 24 -7.603 9.786 8.172 1.00 0.00 C ATOM 343 OE1 GLN A 24 -7.234 10.371 9.183 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.865 9.426 8.056 1.00 0.00 N ATOM 0 H GLN A 24 -4.211 6.441 7.512 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.885 6.939 8.456 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.175 8.635 8.392 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.847 8.326 6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.070 10.362 6.788 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.178 9.154 6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.181 8.938 7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.526 9.635 8.804 1.00 0.00 H new ATOM 353 N ARG A 25 -8.290 6.207 6.534 1.00 0.00 N ATOM 354 CA ARG A 25 -9.231 6.117 5.425 1.00 0.00 C ATOM 355 C ARG A 25 -9.430 7.508 4.813 1.00 0.00 C ATOM 356 O ARG A 25 -9.628 8.469 5.554 1.00 0.00 O ATOM 357 CB ARG A 25 -10.518 5.460 5.929 1.00 0.00 C ATOM 358 CG ARG A 25 -11.237 6.257 7.022 1.00 0.00 C ATOM 359 CD ARG A 25 -12.366 5.397 7.583 1.00 0.00 C ATOM 360 NE ARG A 25 -13.420 6.199 8.225 1.00 0.00 N ATOM 361 CZ ARG A 25 -13.527 6.538 9.517 1.00 0.00 C ATOM 362 NH1 ARG A 25 -12.585 6.217 10.399 1.00 0.00 N ATOM 363 NH2 ARG A 25 -14.598 7.213 9.921 1.00 0.00 N ATOM 0 H ARG A 25 -8.695 5.987 7.444 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.852 5.488 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.197 5.322 5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.281 4.468 6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.539 6.530 7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.635 7.186 6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.803 4.806 6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.957 4.694 8.308 1.00 0.00 H new ATOM 0 HE ARG A 25 -14.160 6.539 7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.758 5.701 10.097 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.689 6.486 11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -15.324 7.466 9.251 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -14.694 7.478 10.901 1.00 0.00 H new ATOM 377 N THR A 26 -9.370 7.632 3.493 1.00 0.00 N ATOM 378 CA THR A 26 -9.496 8.895 2.760 1.00 0.00 C ATOM 379 C THR A 26 -10.558 8.730 1.669 1.00 0.00 C ATOM 380 O THR A 26 -11.222 7.691 1.599 1.00 0.00 O ATOM 381 CB THR A 26 -8.137 9.339 2.175 1.00 0.00 C ATOM 382 OG1 THR A 26 -7.761 8.513 1.094 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.001 9.369 3.195 1.00 0.00 C ATOM 0 H THR A 26 -9.227 6.831 2.878 1.00 0.00 H new ATOM 0 HA THR A 26 -9.811 9.684 3.443 1.00 0.00 H new ATOM 0 HB THR A 26 -8.294 10.364 1.838 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.444 7.651 1.436 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.081 9.690 2.706 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.249 10.066 3.996 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.860 8.372 3.613 1.00 0.00 H new ATOM 391 N GLU A 27 -10.699 9.724 0.792 1.00 0.00 N ATOM 392 CA GLU A 27 -11.485 9.605 -0.430 1.00 0.00 C ATOM 393 C GLU A 27 -10.957 8.465 -1.318 1.00 0.00 C ATOM 394 O GLU A 27 -11.742 7.657 -1.814 1.00 0.00 O ATOM 395 CB GLU A 27 -11.532 10.974 -1.133 1.00 0.00 C ATOM 396 CG GLU A 27 -10.239 11.437 -1.817 1.00 0.00 C ATOM 397 CD GLU A 27 -10.065 12.955 -1.773 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.890 13.697 -2.351 1.00 0.00 O ATOM 399 OE2 GLU A 27 -9.111 13.436 -1.117 1.00 0.00 O ATOM 0 H GLU A 27 -10.267 10.640 0.913 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.512 9.328 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.323 10.946 -1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.817 11.726 -0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.386 10.962 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.242 11.105 -2.855 1.00 0.00 H new ATOM 406 N LEU A 28 -9.631 8.340 -1.446 1.00 0.00 N ATOM 407 CA LEU A 28 -8.945 7.425 -2.364 1.00 0.00 C ATOM 408 C LEU A 28 -8.742 6.039 -1.793 1.00 0.00 C ATOM 409 O LEU A 28 -8.242 5.160 -2.495 1.00 0.00 O ATOM 410 CB LEU A 28 -7.586 8.028 -2.755 1.00 0.00 C ATOM 411 CG LEU A 28 -7.729 9.286 -3.622 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.452 10.113 -3.562 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.104 8.957 -5.064 1.00 0.00 C ATOM 0 H LEU A 28 -8.981 8.896 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.587 7.308 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.028 8.275 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.003 7.282 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.550 9.875 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.565 11.003 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.259 10.410 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.616 9.519 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.193 9.880 -5.636 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.331 8.329 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.056 8.427 -5.080 1.00 0.00 H new ATOM 425 N GLY A 29 -9.156 5.823 -0.553 1.00 0.00 N ATOM 426 CA GLY A 29 -8.893 4.588 0.145 1.00 0.00 C ATOM 427 C GLY A 29 -8.013 4.836 1.348 1.00 0.00 C ATOM 428 O GLY A 29 -7.842 5.982 1.771 1.00 0.00 O ATOM 0 H GLY A 29 -9.684 6.505 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.833 4.135 0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.409 3.880 -0.527 1.00 0.00 H new ATOM 432 N VAL A 30 -7.531 3.775 1.977 1.00 0.00 N ATOM 433 CA VAL A 30 -6.787 3.918 3.217 1.00 0.00 C ATOM 434 C VAL A 30 -5.323 4.205 2.873 1.00 0.00 C ATOM 435 O VAL A 30 -4.752 3.499 2.045 1.00 0.00 O ATOM 436 CB VAL A 30 -6.999 2.658 4.065 1.00 0.00 C ATOM 437 CG1 VAL A 30 -6.417 2.854 5.459 1.00 0.00 C ATOM 438 CG2 VAL A 30 -8.485 2.347 4.277 1.00 0.00 C ATOM 0 H VAL A 30 -7.641 2.814 1.652 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.137 4.757 3.818 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.512 1.848 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.575 1.951 6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.348 3.055 5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.911 3.696 5.944 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.585 1.447 4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.962 3.183 4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.965 2.190 3.311 1.00 0.00 H new ATOM 448 N GLU A 31 -4.728 5.250 3.465 1.00 0.00 N ATOM 449 CA GLU A 31 -3.310 5.594 3.357 1.00 0.00 C ATOM 450 C GLU A 31 -2.493 4.354 3.742 1.00 0.00 C ATOM 451 O GLU A 31 -2.494 3.947 4.910 1.00 0.00 O ATOM 452 CB GLU A 31 -2.915 6.742 4.313 1.00 0.00 C ATOM 453 CG GLU A 31 -3.419 8.162 4.027 1.00 0.00 C ATOM 454 CD GLU A 31 -2.721 9.193 4.958 1.00 0.00 C ATOM 455 OE1 GLU A 31 -2.628 8.963 6.186 1.00 0.00 O ATOM 456 OE2 GLU A 31 -2.293 10.269 4.464 1.00 0.00 O ATOM 0 H GLU A 31 -5.245 5.902 4.055 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.114 5.919 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.255 6.468 5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.826 6.781 4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.227 8.418 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.498 8.206 4.173 1.00 0.00 H new ATOM 463 N PHE A 32 -1.810 3.746 2.780 1.00 0.00 N ATOM 464 CA PHE A 32 -0.955 2.588 2.977 1.00 0.00 C ATOM 465 C PHE A 32 0.408 2.999 3.487 1.00 0.00 C ATOM 466 O PHE A 32 0.595 3.451 4.613 1.00 0.00 O ATOM 467 CB PHE A 32 -1.085 1.565 1.818 1.00 0.00 C ATOM 468 CG PHE A 32 -0.596 0.132 2.083 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.492 -0.410 3.386 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.246 -0.694 0.994 1.00 0.00 C ATOM 471 CE1 PHE A 32 0.064 -1.684 3.593 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.274 -1.990 1.205 1.00 0.00 C ATOM 473 CZ PHE A 32 0.475 -2.474 2.509 1.00 0.00 C ATOM 0 H PHE A 32 -1.839 4.058 1.809 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.302 1.968 3.803 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.135 1.515 1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.536 1.955 0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.844 0.162 4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.377 -0.330 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.176 -2.060 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.519 -2.614 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.937 -3.436 2.674 1.00 0.00 H new ATOM 483 N LEU A 33 1.341 2.774 2.613 1.00 0.00 N ATOM 484 CA LEU A 33 2.746 3.120 2.724 1.00 0.00 C ATOM 485 C LEU A 33 2.928 4.552 2.242 1.00 0.00 C ATOM 486 O LEU A 33 2.590 4.879 1.106 1.00 0.00 O ATOM 487 CB LEU A 33 3.681 2.169 1.948 1.00 0.00 C ATOM 488 CG LEU A 33 3.994 0.830 2.636 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.527 1.031 4.061 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.779 -0.073 2.585 1.00 0.00 C ATOM 0 H LEU A 33 1.135 2.307 1.730 1.00 0.00 H new ATOM 0 HA LEU A 33 3.030 3.019 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.232 1.961 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.621 2.688 1.760 1.00 0.00 H new ATOM 0 HG LEU A 33 4.797 0.335 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.736 0.061 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.444 1.620 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.781 1.555 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.008 -1.020 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.946 0.408 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.507 -0.258 1.546 1.00 0.00 H new ATOM 502 N LYS A 34 3.537 5.387 3.072 1.00 0.00 N ATOM 503 CA LYS A 34 4.026 6.716 2.758 1.00 0.00 C ATOM 504 C LYS A 34 5.551 6.704 2.710 1.00 0.00 C ATOM 505 O LYS A 34 6.190 6.084 3.564 1.00 0.00 O ATOM 506 CB LYS A 34 3.568 7.666 3.860 1.00 0.00 C ATOM 507 CG LYS A 34 2.114 8.134 3.716 1.00 0.00 C ATOM 508 CD LYS A 34 1.914 9.515 4.357 1.00 0.00 C ATOM 509 CE LYS A 34 2.513 10.596 3.443 1.00 0.00 C ATOM 510 NZ LYS A 34 3.005 11.775 4.176 1.00 0.00 N ATOM 0 H LYS A 34 3.712 5.135 4.045 1.00 0.00 H new ATOM 0 HA LYS A 34 3.640 7.037 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.686 7.171 4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.221 8.539 3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.845 8.177 2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.447 7.411 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.852 9.704 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.392 9.546 5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.334 10.164 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.757 10.913 2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.396 12.464 3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.220 12.210 4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.748 11.484 4.843 1.00 0.00 H new ATOM 524 N ARG A 35 6.152 7.390 1.744 1.00 0.00 N ATOM 525 CA ARG A 35 7.592 7.638 1.676 1.00 0.00 C ATOM 526 C ARG A 35 7.811 8.829 0.756 1.00 0.00 C ATOM 527 O ARG A 35 7.277 8.807 -0.356 1.00 0.00 O ATOM 528 CB ARG A 35 8.289 6.433 1.028 1.00 0.00 C ATOM 529 CG ARG A 35 9.809 6.562 0.818 1.00 0.00 C ATOM 530 CD ARG A 35 10.386 5.327 0.127 1.00 0.00 C ATOM 531 NE ARG A 35 11.816 5.473 -0.183 1.00 0.00 N ATOM 532 CZ ARG A 35 12.614 4.515 -0.672 1.00 0.00 C ATOM 533 NH1 ARG A 35 12.139 3.301 -0.940 1.00 0.00 N ATOM 534 NH2 ARG A 35 13.896 4.777 -0.879 1.00 0.00 N ATOM 0 H ARG A 35 5.639 7.801 0.964 1.00 0.00 H new ATOM 0 HA ARG A 35 7.987 7.813 2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.101 5.555 1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.823 6.247 0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.021 7.448 0.219 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.300 6.704 1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.243 4.456 0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.835 5.139 -0.794 1.00 0.00 H new ATOM 0 HE ARG A 35 12.238 6.385 -0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.155 3.090 -0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.759 2.582 -1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.268 5.703 -0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.511 4.053 -1.251 1.00 0.00 H new ATOM 548 N GLY A 36 8.665 9.778 1.122 1.00 0.00 N ATOM 549 CA GLY A 36 9.021 10.890 0.254 1.00 0.00 C ATOM 550 C GLY A 36 7.786 11.721 -0.022 1.00 0.00 C ATOM 551 O GLY A 36 7.189 12.248 0.917 1.00 0.00 O ATOM 0 H GLY A 36 9.129 9.796 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.789 11.503 0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.440 10.518 -0.681 1.00 0.00 H new ATOM 555 N ASP A 37 7.344 11.762 -1.273 1.00 0.00 N ATOM 556 CA ASP A 37 6.085 12.381 -1.675 1.00 0.00 C ATOM 557 C ASP A 37 5.248 11.347 -2.430 1.00 0.00 C ATOM 558 O ASP A 37 4.625 11.639 -3.449 1.00 0.00 O ATOM 559 CB ASP A 37 6.352 13.710 -2.418 1.00 0.00 C ATOM 560 CG ASP A 37 5.824 14.873 -1.588 1.00 0.00 C ATOM 561 OD1 ASP A 37 4.583 15.038 -1.492 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.630 15.533 -0.904 1.00 0.00 O ATOM 0 H ASP A 37 7.861 11.357 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 37 5.484 12.677 -0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.421 13.831 -2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.867 13.697 -3.394 1.00 0.00 H new ATOM 567 N LYS A 38 5.263 10.090 -1.965 1.00 0.00 N ATOM 568 CA LYS A 38 4.496 8.988 -2.532 1.00 0.00 C ATOM 569 C LYS A 38 3.630 8.417 -1.419 1.00 0.00 C ATOM 570 O LYS A 38 4.127 8.130 -0.328 1.00 0.00 O ATOM 571 CB LYS A 38 5.458 7.943 -3.121 1.00 0.00 C ATOM 572 CG LYS A 38 6.343 8.458 -4.268 1.00 0.00 C ATOM 573 CD LYS A 38 5.623 9.054 -5.492 1.00 0.00 C ATOM 574 CE LYS A 38 5.049 7.984 -6.422 1.00 0.00 C ATOM 575 NZ LYS A 38 4.855 8.451 -7.817 1.00 0.00 N ATOM 0 H LYS A 38 5.827 9.811 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 38 3.852 9.318 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.101 7.571 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.875 7.096 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.012 9.218 -3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.968 7.633 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.817 9.704 -5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.321 9.677 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.716 7.122 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.092 7.645 -6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.594 7.645 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.097 9.162 -7.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.738 8.874 -8.168 1.00 0.00 H new ATOM 589 N ILE A 39 2.339 8.266 -1.699 1.00 0.00 N ATOM 590 CA ILE A 39 1.336 7.705 -0.811 1.00 0.00 C ATOM 591 C ILE A 39 0.702 6.568 -1.592 1.00 0.00 C ATOM 592 O ILE A 39 -0.019 6.793 -2.565 1.00 0.00 O ATOM 593 CB ILE A 39 0.284 8.736 -0.348 1.00 0.00 C ATOM 594 CG1 ILE A 39 0.982 10.002 0.193 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.638 8.064 0.693 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.031 11.017 0.831 1.00 0.00 C ATOM 0 H ILE A 39 1.948 8.547 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 39 1.795 7.362 0.117 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.335 9.062 -1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.727 9.705 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.517 10.486 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.388 8.780 1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.134 7.206 0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.044 7.732 1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.600 11.876 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.700 11.346 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.486 10.553 1.671 1.00 0.00 H new ATOM 608 N VAL A 40 0.983 5.346 -1.160 1.00 0.00 N ATOM 609 CA VAL A 40 0.253 4.186 -1.621 1.00 0.00 C ATOM 610 C VAL A 40 -1.047 4.209 -0.830 1.00 0.00 C ATOM 611 O VAL A 40 -1.066 4.624 0.325 1.00 0.00 O ATOM 612 CB VAL A 40 1.059 2.895 -1.361 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.448 1.647 -2.016 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.489 3.014 -1.883 1.00 0.00 C ATOM 0 H VAL A 40 1.719 5.138 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 40 0.069 4.206 -2.695 1.00 0.00 H new ATOM 0 HB VAL A 40 1.040 2.777 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.067 0.778 -1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.557 1.487 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.400 1.789 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.028 2.088 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.470 3.198 -2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.992 3.841 -1.382 1.00 0.00 H new ATOM 624 N TYR A 41 -2.124 3.736 -1.433 1.00 0.00 N ATOM 625 CA TYR A 41 -3.401 3.498 -0.796 1.00 0.00 C ATOM 626 C TYR A 41 -3.707 2.017 -0.953 1.00 0.00 C ATOM 627 O TYR A 41 -3.116 1.340 -1.799 1.00 0.00 O ATOM 628 CB TYR A 41 -4.492 4.370 -1.432 1.00 0.00 C ATOM 629 CG TYR A 41 -4.295 5.855 -1.210 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.354 6.545 -1.998 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.004 6.531 -0.194 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.193 7.929 -1.853 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.763 7.903 0.018 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.918 8.623 -0.861 1.00 0.00 C ATOM 635 OH TYR A 41 -3.793 9.976 -0.769 1.00 0.00 O ATOM 0 H TYR A 41 -2.129 3.498 -2.425 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.368 3.764 0.260 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.522 4.173 -2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.460 4.077 -1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.755 6.006 -2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.723 6.003 0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.514 8.465 -2.500 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.225 8.407 0.854 1.00 0.00 H new ATOM 0 HH TYR A 41 -4.355 10.308 -0.038 1.00 0.00 H new ATOM 645 N HIS A 42 -4.644 1.514 -0.161 1.00 0.00 N ATOM 646 CA HIS A 42 -5.215 0.201 -0.376 1.00 0.00 C ATOM 647 C HIS A 42 -6.726 0.318 -0.351 1.00 0.00 C ATOM 648 O HIS A 42 -7.298 1.166 0.351 1.00 0.00 O ATOM 649 CB HIS A 42 -4.674 -0.796 0.651 1.00 0.00 C ATOM 650 CG HIS A 42 -5.081 -0.590 2.093 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.224 -1.083 2.682 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.323 -0.032 3.087 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.159 -0.814 3.996 1.00 0.00 C ATOM 654 NE2 HIS A 42 -5.020 -0.163 4.293 1.00 0.00 N ATOM 0 H HIS A 42 -5.026 2.007 0.646 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.924 -0.187 -1.352 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.989 -1.795 0.350 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.585 -0.776 0.601 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -6.985 -1.567 2.205 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.355 0.429 2.962 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.918 -1.084 4.716 1.00 0.00 H new ATOM 662 N THR A 43 -7.370 -0.533 -1.138 1.00 0.00 N ATOM 663 CA THR A 43 -8.805 -0.663 -1.111 1.00 0.00 C ATOM 664 C THR A 43 -9.206 -1.360 0.183 1.00 0.00 C ATOM 665 O THR A 43 -8.466 -2.178 0.740 1.00 0.00 O ATOM 666 CB THR A 43 -9.275 -1.412 -2.368 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.610 -2.646 -2.540 1.00 0.00 O ATOM 668 CG2 THR A 43 -8.973 -0.537 -3.586 1.00 0.00 C ATOM 0 H THR A 43 -6.907 -1.147 -1.808 1.00 0.00 H new ATOM 0 HA THR A 43 -9.292 0.312 -1.126 1.00 0.00 H new ATOM 0 HB THR A 43 -10.340 -1.615 -2.259 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.174 -3.372 -2.200 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.299 -1.049 -4.492 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.504 0.410 -3.494 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.901 -0.348 -3.641 1.00 0.00 H new ATOM 676 N LEU A 44 -10.412 -1.046 0.649 1.00 0.00 N ATOM 677 CA LEU A 44 -11.064 -1.823 1.690 1.00 0.00 C ATOM 678 C LEU A 44 -11.342 -3.242 1.191 1.00 0.00 C ATOM 679 O LEU A 44 -11.167 -4.202 1.934 1.00 0.00 O ATOM 680 CB LEU A 44 -12.371 -1.138 2.114 1.00 0.00 C ATOM 681 CG LEU A 44 -12.200 0.296 2.650 1.00 0.00 C ATOM 682 CD1 LEU A 44 -13.554 0.790 3.163 1.00 0.00 C ATOM 683 CD2 LEU A 44 -11.197 0.373 3.800 1.00 0.00 C ATOM 0 H LEU A 44 -10.958 -0.251 0.316 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.404 -1.883 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.047 -1.114 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.851 -1.744 2.883 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.825 0.912 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.450 1.805 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.277 0.783 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.902 0.135 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.113 1.405 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.538 -0.255 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.223 0.024 3.457 1.00 0.00 H new ATOM 695 N GLU A 45 -11.781 -3.373 -0.061 1.00 0.00 N ATOM 696 CA GLU A 45 -12.279 -4.618 -0.632 1.00 0.00 C ATOM 697 C GLU A 45 -11.125 -5.411 -1.260 1.00 0.00 C ATOM 698 O GLU A 45 -10.078 -4.837 -1.578 1.00 0.00 O ATOM 699 CB GLU A 45 -13.368 -4.282 -1.669 1.00 0.00 C ATOM 700 CG GLU A 45 -14.476 -3.415 -1.040 1.00 0.00 C ATOM 701 CD GLU A 45 -15.697 -3.123 -1.920 1.00 0.00 C ATOM 702 OE1 GLU A 45 -15.688 -3.369 -3.141 1.00 0.00 O ATOM 703 OE2 GLU A 45 -16.675 -2.572 -1.341 1.00 0.00 O ATOM 0 H GLU A 45 -11.799 -2.595 -0.720 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.715 -5.244 0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.923 -3.755 -2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.800 -5.203 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.820 -3.908 -0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.036 -2.464 -0.740 1.00 0.00 H new ATOM 710 N SER A 46 -11.344 -6.715 -1.459 1.00 0.00 N ATOM 711 CA SER A 46 -10.365 -7.667 -1.982 1.00 0.00 C ATOM 712 C SER A 46 -10.723 -8.147 -3.397 1.00 0.00 C ATOM 713 O SER A 46 -11.908 -8.209 -3.730 1.00 0.00 O ATOM 714 CB SER A 46 -10.267 -8.874 -1.051 1.00 0.00 C ATOM 715 OG SER A 46 -9.785 -8.479 0.216 1.00 0.00 O ATOM 0 H SER A 46 -12.243 -7.150 -1.252 1.00 0.00 H new ATOM 0 HA SER A 46 -9.406 -7.151 -2.035 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.246 -9.341 -0.946 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.602 -9.622 -1.483 1.00 0.00 H new ATOM 0 HG SER A 46 -10.373 -8.835 0.915 1.00 0.00 H new ATOM 721 N PRO A 47 -9.748 -8.610 -4.196 1.00 0.00 N ATOM 722 CA PRO A 47 -8.331 -8.513 -3.896 1.00 0.00 C ATOM 723 C PRO A 47 -7.914 -7.052 -3.869 1.00 0.00 C ATOM 724 O PRO A 47 -8.472 -6.217 -4.586 1.00 0.00 O ATOM 725 CB PRO A 47 -7.622 -9.295 -4.984 1.00 0.00 C ATOM 726 CG PRO A 47 -8.556 -9.108 -6.177 1.00 0.00 C ATOM 727 CD PRO A 47 -9.940 -9.143 -5.532 1.00 0.00 C ATOM 0 HA PRO A 47 -8.078 -8.922 -2.918 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.624 -8.903 -5.183 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.505 -10.346 -4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.373 -8.164 -6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.433 -9.901 -6.915 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.654 -8.543 -6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.334 -10.159 -5.498 1.00 0.00 H new ATOM 735 N VAL A 48 -7.027 -6.760 -2.926 1.00 0.00 N ATOM 736 CA VAL A 48 -6.730 -5.402 -2.554 1.00 0.00 C ATOM 737 C VAL A 48 -5.909 -4.811 -3.693 1.00 0.00 C ATOM 738 O VAL A 48 -4.889 -5.372 -4.102 1.00 0.00 O ATOM 739 CB VAL A 48 -6.075 -5.357 -1.165 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.573 -3.957 -0.849 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.064 -5.807 -0.074 1.00 0.00 C ATOM 0 H VAL A 48 -6.501 -7.462 -2.406 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.620 -4.784 -2.434 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.229 -6.044 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.113 -3.950 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.836 -3.658 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.409 -3.258 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.575 -5.766 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.931 -5.146 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.387 -6.828 -0.275 1.00 0.00 H new ATOM 751 N GLU A 49 -6.410 -3.713 -4.238 1.00 0.00 N ATOM 752 CA GLU A 49 -5.774 -2.964 -5.294 1.00 0.00 C ATOM 753 C GLU A 49 -4.970 -1.868 -4.603 1.00 0.00 C ATOM 754 O GLU A 49 -5.496 -1.095 -3.797 1.00 0.00 O ATOM 755 CB GLU A 49 -6.844 -2.467 -6.277 1.00 0.00 C ATOM 756 CG GLU A 49 -7.377 -3.661 -7.087 1.00 0.00 C ATOM 757 CD GLU A 49 -8.400 -3.264 -8.154 1.00 0.00 C ATOM 758 OE1 GLU A 49 -9.597 -3.147 -7.797 1.00 0.00 O ATOM 759 OE2 GLU A 49 -8.037 -3.093 -9.343 1.00 0.00 O ATOM 0 H GLU A 49 -7.300 -3.311 -3.943 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.089 -3.551 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.659 -1.987 -5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.421 -1.718 -6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.540 -4.167 -7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.834 -4.378 -6.405 1.00 0.00 H new ATOM 766 N PHE A 50 -3.661 -1.866 -4.838 1.00 0.00 N ATOM 767 CA PHE A 50 -2.731 -1.004 -4.138 1.00 0.00 C ATOM 768 C PHE A 50 -2.425 0.178 -5.033 1.00 0.00 C ATOM 769 O PHE A 50 -1.544 0.088 -5.884 1.00 0.00 O ATOM 770 CB PHE A 50 -1.448 -1.760 -3.826 1.00 0.00 C ATOM 771 CG PHE A 50 -1.622 -3.000 -2.979 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.833 -2.884 -1.595 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.534 -4.272 -3.574 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.925 -4.039 -0.801 1.00 0.00 C ATOM 775 CE2 PHE A 50 -1.640 -5.427 -2.784 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.818 -5.310 -1.394 1.00 0.00 C ATOM 0 H PHE A 50 -3.217 -2.472 -5.529 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.167 -0.667 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.975 -2.045 -4.766 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.762 -1.084 -3.316 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.924 -1.908 -1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.385 -4.360 -4.640 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.078 -3.951 0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.585 -6.403 -3.242 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.873 -6.197 -0.781 1.00 0.00 H new ATOM 786 N HIS A 51 -3.189 1.253 -4.932 1.00 0.00 N ATOM 787 CA HIS A 51 -2.951 2.398 -5.797 1.00 0.00 C ATOM 788 C HIS A 51 -1.713 3.136 -5.291 1.00 0.00 C ATOM 789 O HIS A 51 -1.503 3.223 -4.085 1.00 0.00 O ATOM 790 CB HIS A 51 -4.164 3.333 -5.836 1.00 0.00 C ATOM 791 CG HIS A 51 -5.532 2.696 -5.754 1.00 0.00 C ATOM 792 ND1 HIS A 51 -6.652 3.224 -5.139 1.00 0.00 N ATOM 793 CD2 HIS A 51 -5.878 1.474 -6.258 1.00 0.00 C ATOM 794 CE1 HIS A 51 -7.650 2.337 -5.287 1.00 0.00 C ATOM 795 NE2 HIS A 51 -7.232 1.277 -5.999 1.00 0.00 N ATOM 0 H HIS A 51 -3.963 1.358 -4.276 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.787 2.051 -6.817 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.071 4.041 -5.012 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.115 3.911 -6.759 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.220 0.785 -6.766 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.647 2.459 -4.890 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.798 0.481 -6.293 1.00 0.00 H new ATOM 803 N LEU A 52 -0.922 3.726 -6.178 1.00 0.00 N ATOM 804 CA LEU A 52 0.095 4.714 -5.838 1.00 0.00 C ATOM 805 C LEU A 52 0.014 5.830 -6.854 1.00 0.00 C ATOM 806 O LEU A 52 0.197 5.592 -8.048 1.00 0.00 O ATOM 807 CB LEU A 52 1.516 4.124 -5.844 1.00 0.00 C ATOM 808 CG LEU A 52 2.623 5.201 -5.740 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.483 6.076 -4.491 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.020 4.581 -5.726 1.00 0.00 C ATOM 0 H LEU A 52 -0.971 3.527 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.097 5.073 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.617 3.427 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.661 3.551 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 52 2.497 5.822 -6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.286 6.813 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.521 6.588 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.542 5.451 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.768 5.371 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.113 3.912 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.177 4.017 -6.646 1.00 0.00 H new ATOM 822 N ASP A 53 -0.188 7.054 -6.370 1.00 0.00 N ATOM 823 CA ASP A 53 -0.136 8.266 -7.184 1.00 0.00 C ATOM 824 C ASP A 53 -1.156 8.205 -8.330 1.00 0.00 C ATOM 825 O ASP A 53 -0.988 8.812 -9.388 1.00 0.00 O ATOM 826 CB ASP A 53 1.314 8.507 -7.639 1.00 0.00 C ATOM 827 CG ASP A 53 1.633 9.935 -8.059 1.00 0.00 C ATOM 828 OD1 ASP A 53 0.817 10.852 -7.808 1.00 0.00 O ATOM 829 OD2 ASP A 53 2.775 10.132 -8.537 1.00 0.00 O ATOM 0 H ASP A 53 -0.395 7.234 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.431 9.134 -6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.984 8.226 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.531 7.842 -8.475 1.00 0.00 H new ATOM 834 N GLY A 54 -2.234 7.445 -8.112 1.00 0.00 N ATOM 835 CA GLY A 54 -3.332 7.241 -9.033 1.00 0.00 C ATOM 836 C GLY A 54 -3.122 6.074 -9.993 1.00 0.00 C ATOM 837 O GLY A 54 -3.985 5.843 -10.846 1.00 0.00 O ATOM 0 H GLY A 54 -2.361 6.933 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.245 7.070 -8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.483 8.152 -9.611 1.00 0.00 H new ATOM 841 N GLU A 55 -2.015 5.340 -9.897 1.00 0.00 N ATOM 842 CA GLU A 55 -1.763 4.127 -10.652 1.00 0.00 C ATOM 843 C GLU A 55 -2.073 2.957 -9.744 1.00 0.00 C ATOM 844 O GLU A 55 -1.435 2.779 -8.716 1.00 0.00 O ATOM 845 CB GLU A 55 -0.316 4.107 -11.151 1.00 0.00 C ATOM 846 CG GLU A 55 -0.281 4.864 -12.481 1.00 0.00 C ATOM 847 CD GLU A 55 1.106 5.323 -12.923 1.00 0.00 C ATOM 848 OE1 GLU A 55 2.095 5.180 -12.179 1.00 0.00 O ATOM 849 OE2 GLU A 55 1.184 5.922 -14.029 1.00 0.00 O ATOM 0 H GLU A 55 -1.249 5.586 -9.270 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.395 4.071 -11.538 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.347 4.576 -10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.030 3.082 -11.283 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.701 4.224 -13.258 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.929 5.737 -12.403 1.00 0.00 H new ATOM 856 N VAL A 56 -3.093 2.187 -10.092 1.00 0.00 N ATOM 857 CA VAL A 56 -3.386 0.923 -9.430 1.00 0.00 C ATOM 858 C VAL A 56 -2.172 0.003 -9.643 1.00 0.00 C ATOM 859 O VAL A 56 -1.672 -0.085 -10.771 1.00 0.00 O ATOM 860 CB VAL A 56 -4.668 0.318 -10.042 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.006 -1.022 -9.384 1.00 0.00 C ATOM 862 CG2 VAL A 56 -5.866 1.270 -9.905 1.00 0.00 C ATOM 0 H VAL A 56 -3.743 2.421 -10.843 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.559 1.055 -8.362 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.471 0.160 -11.102 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.913 -1.429 -9.832 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.182 -1.720 -9.535 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.164 -0.873 -8.316 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.749 0.809 -10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.052 1.472 -8.850 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.648 2.205 -10.420 1.00 0.00 H new ATOM 872 N LEU A 57 -1.679 -0.668 -8.597 1.00 0.00 N ATOM 873 CA LEU A 57 -0.520 -1.555 -8.693 1.00 0.00 C ATOM 874 C LEU A 57 -0.890 -2.967 -8.252 1.00 0.00 C ATOM 875 O LEU A 57 -1.792 -3.166 -7.429 1.00 0.00 O ATOM 876 CB LEU A 57 0.667 -1.050 -7.860 1.00 0.00 C ATOM 877 CG LEU A 57 0.937 0.468 -7.887 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.934 0.803 -6.776 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.409 0.968 -9.256 1.00 0.00 C ATOM 0 H LEU A 57 -2.075 -0.610 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.214 -1.566 -9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.507 -1.349 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.566 -1.562 -8.204 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.001 0.993 -7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.137 1.874 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.514 0.517 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.862 0.257 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.582 2.043 -9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.335 0.462 -9.528 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.646 0.755 -10.004 1.00 0.00 H new ATOM 891 N SER A 58 -0.164 -3.944 -8.795 1.00 0.00 N ATOM 892 CA SER A 58 -0.326 -5.361 -8.470 1.00 0.00 C ATOM 893 C SER A 58 0.430 -5.699 -7.191 1.00 0.00 C ATOM 894 O SER A 58 1.250 -4.901 -6.744 1.00 0.00 O ATOM 895 CB SER A 58 0.140 -6.201 -9.661 1.00 0.00 C ATOM 896 OG SER A 58 -0.682 -5.924 -10.776 1.00 0.00 O ATOM 0 H SER A 58 0.566 -3.770 -9.485 1.00 0.00 H new ATOM 0 HA SER A 58 -1.376 -5.589 -8.284 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.180 -5.975 -9.896 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.093 -7.262 -9.414 1.00 0.00 H new ATOM 0 HG SER A 58 -0.386 -6.459 -11.542 1.00 0.00 H new ATOM 902 N LEU A 59 0.199 -6.881 -6.609 1.00 0.00 N ATOM 903 CA LEU A 59 0.796 -7.254 -5.326 1.00 0.00 C ATOM 904 C LEU A 59 2.288 -7.441 -5.517 1.00 0.00 C ATOM 905 O LEU A 59 3.112 -6.872 -4.805 1.00 0.00 O ATOM 906 CB LEU A 59 0.162 -8.560 -4.827 1.00 0.00 C ATOM 907 CG LEU A 59 0.861 -9.161 -3.591 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.794 -8.251 -2.374 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.204 -10.469 -3.194 1.00 0.00 C ATOM 0 H LEU A 59 -0.402 -7.600 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 59 0.618 -6.471 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.885 -8.375 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.179 -9.292 -5.634 1.00 0.00 H new ATOM 0 HG LEU A 59 1.902 -9.301 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.302 -8.727 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.280 -7.302 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.248 -8.071 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.710 -10.880 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.845 -10.292 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.274 -11.177 -4.020 1.00 0.00 H new ATOM 921 N ASP A 60 2.603 -8.258 -6.511 1.00 0.00 N ATOM 922 CA ASP A 60 3.961 -8.633 -6.852 1.00 0.00 C ATOM 923 C ASP A 60 4.739 -7.407 -7.309 1.00 0.00 C ATOM 924 O ASP A 60 5.894 -7.215 -6.917 1.00 0.00 O ATOM 925 CB ASP A 60 3.895 -9.684 -7.968 1.00 0.00 C ATOM 926 CG ASP A 60 3.954 -11.137 -7.472 1.00 0.00 C ATOM 927 OD1 ASP A 60 4.209 -11.391 -6.276 1.00 0.00 O ATOM 928 OD2 ASP A 60 3.633 -12.058 -8.258 1.00 0.00 O ATOM 0 H ASP A 60 1.902 -8.687 -7.115 1.00 0.00 H new ATOM 0 HA ASP A 60 4.474 -9.048 -5.985 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.973 -9.542 -8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.720 -9.515 -8.660 1.00 0.00 H new ATOM 933 N LYS A 61 4.084 -6.551 -8.104 1.00 0.00 N ATOM 934 CA LYS A 61 4.682 -5.321 -8.592 1.00 0.00 C ATOM 935 C LYS A 61 4.940 -4.400 -7.413 1.00 0.00 C ATOM 936 O LYS A 61 6.067 -3.955 -7.258 1.00 0.00 O ATOM 937 CB LYS A 61 3.806 -4.647 -9.670 1.00 0.00 C ATOM 938 CG LYS A 61 4.719 -3.927 -10.675 1.00 0.00 C ATOM 939 CD LYS A 61 3.994 -2.945 -11.610 1.00 0.00 C ATOM 940 CE LYS A 61 3.213 -3.616 -12.751 1.00 0.00 C ATOM 941 NZ LYS A 61 2.469 -2.622 -13.561 1.00 0.00 N ATOM 0 H LYS A 61 3.126 -6.700 -8.421 1.00 0.00 H new ATOM 0 HA LYS A 61 5.630 -5.551 -9.078 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.197 -5.393 -10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.120 -3.937 -9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.487 -3.384 -10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.231 -4.675 -11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.305 -2.342 -11.020 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.727 -2.263 -12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.903 -4.165 -13.392 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.516 -4.344 -12.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.954 -3.110 -14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.793 -2.116 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.138 -1.942 -13.976 1.00 0.00 H new ATOM 955 N LEU A 62 3.938 -4.148 -6.565 1.00 0.00 N ATOM 956 CA LEU A 62 4.015 -3.232 -5.434 1.00 0.00 C ATOM 957 C LEU A 62 5.293 -3.475 -4.648 1.00 0.00 C ATOM 958 O LEU A 62 6.056 -2.540 -4.442 1.00 0.00 O ATOM 959 CB LEU A 62 2.775 -3.359 -4.533 1.00 0.00 C ATOM 960 CG LEU A 62 2.885 -2.524 -3.245 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.969 -1.028 -3.540 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.700 -2.741 -2.313 1.00 0.00 C ATOM 0 H LEU A 62 3.024 -4.592 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 62 4.036 -2.212 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.893 -3.044 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.629 -4.407 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 62 3.801 -2.864 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.045 -0.476 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.848 -0.827 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.074 -0.712 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.824 -2.130 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.779 -2.456 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.647 -3.792 -2.030 1.00 0.00 H new ATOM 974 N LYS A 63 5.560 -4.712 -4.222 1.00 0.00 N ATOM 975 CA LYS A 63 6.737 -4.989 -3.401 1.00 0.00 C ATOM 976 C LYS A 63 8.020 -4.549 -4.105 1.00 0.00 C ATOM 977 O LYS A 63 8.888 -3.939 -3.488 1.00 0.00 O ATOM 978 CB LYS A 63 6.812 -6.482 -3.063 1.00 0.00 C ATOM 979 CG LYS A 63 5.620 -6.977 -2.236 1.00 0.00 C ATOM 980 CD LYS A 63 5.643 -8.499 -2.123 1.00 0.00 C ATOM 981 CE LYS A 63 4.353 -8.989 -1.464 1.00 0.00 C ATOM 982 NZ LYS A 63 4.325 -10.460 -1.363 1.00 0.00 N ATOM 0 H LYS A 63 4.984 -5.528 -4.430 1.00 0.00 H new ATOM 0 HA LYS A 63 6.641 -4.417 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.866 -7.055 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.733 -6.677 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.650 -6.532 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.688 -6.655 -2.701 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.749 -8.945 -3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.505 -8.816 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.263 -8.553 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.495 -8.646 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.437 -10.760 -0.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.387 -10.875 -2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.131 -10.784 -0.791 1.00 0.00 H new ATOM 996 N SER A 64 8.116 -4.818 -5.404 1.00 0.00 N ATOM 997 CA SER A 64 9.225 -4.413 -6.247 1.00 0.00 C ATOM 998 C SER A 64 9.301 -2.884 -6.347 1.00 0.00 C ATOM 999 O SER A 64 10.401 -2.338 -6.289 1.00 0.00 O ATOM 1000 CB SER A 64 9.071 -5.108 -7.606 1.00 0.00 C ATOM 1001 OG SER A 64 10.105 -4.809 -8.525 1.00 0.00 O ATOM 0 H SER A 64 7.400 -5.340 -5.909 1.00 0.00 H new ATOM 0 HA SER A 64 10.177 -4.722 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.038 -6.186 -7.450 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.115 -4.820 -8.044 1.00 0.00 H new ATOM 0 HG SER A 64 9.943 -5.286 -9.366 1.00 0.00 H new ATOM 1007 N LEU A 65 8.164 -2.196 -6.488 1.00 0.00 N ATOM 1008 CA LEU A 65 8.093 -0.742 -6.613 1.00 0.00 C ATOM 1009 C LEU A 65 8.530 -0.041 -5.333 1.00 0.00 C ATOM 1010 O LEU A 65 9.185 1.001 -5.395 1.00 0.00 O ATOM 1011 CB LEU A 65 6.675 -0.286 -7.001 1.00 0.00 C ATOM 1012 CG LEU A 65 6.123 -0.794 -8.347 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.877 -0.001 -8.694 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.147 -0.713 -9.478 1.00 0.00 C ATOM 0 H LEU A 65 7.249 -2.646 -6.519 1.00 0.00 H new ATOM 0 HA LEU A 65 8.784 -0.460 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.990 -0.600 -6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.662 0.804 -7.019 1.00 0.00 H new ATOM 0 HG LEU A 65 5.881 -1.851 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.476 -0.351 -9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.129 -0.138 -7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.129 1.056 -8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.700 -1.084 -10.400 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.456 0.323 -9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.016 -1.320 -9.226 1.00 0.00 H new ATOM 1026 N LEU A 66 8.187 -0.607 -4.174 1.00 0.00 N ATOM 1027 CA LEU A 66 8.511 -0.014 -2.879 1.00 0.00 C ATOM 1028 C LEU A 66 10.012 -0.107 -2.586 1.00 0.00 C ATOM 1029 O LEU A 66 10.505 0.603 -1.704 1.00 0.00 O ATOM 1030 CB LEU A 66 7.748 -0.750 -1.772 1.00 0.00 C ATOM 1031 CG LEU A 66 6.225 -0.581 -1.860 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.533 -1.558 -0.925 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.765 0.814 -1.501 1.00 0.00 C ATOM 0 H LEU A 66 7.677 -1.488 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 66 8.222 1.037 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.991 -1.812 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.090 -0.387 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 66 5.960 -0.774 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.453 -1.428 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.795 -2.578 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.854 -1.370 0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.680 0.871 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.065 1.044 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.218 1.533 -2.183 1.00 0.00 H new ATOM 1045 N SER A 67 10.699 -1.002 -3.293 1.00 0.00 N ATOM 1046 CA SER A 67 12.087 -1.376 -3.124 1.00 0.00 C ATOM 1047 C SER A 67 12.973 -0.531 -4.045 1.00 0.00 C ATOM 1048 O SER A 67 13.960 -1.098 -4.577 1.00 0.00 O ATOM 1049 CB SER A 67 12.100 -2.893 -3.385 1.00 0.00 C ATOM 1050 OG SER A 67 13.317 -3.519 -3.039 1.00 0.00 O ATOM 0 H SER A 67 10.259 -1.519 -4.054 1.00 0.00 H new ATOM 0 HA SER A 67 12.502 -1.180 -2.135 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.290 -3.356 -2.821 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.897 -3.073 -4.441 1.00 0.00 H new ATOM 0 HG SER A 67 14.065 -3.015 -3.422 1.00 0.00 H new