USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 389 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 1 MET N :NH3+ -134:sc= 0.193 (180deg=-2.75!) USER MOD Set 1.2: A 22 THR OG1 : rot -104:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0781 K(o=-0.078,f=-0.92) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.704 X(o=-0.7,f=-0.45) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.365 1.377 -4.620 1.00 0.00 N ATOM 2 CA MET A 1 -7.584 0.065 -3.951 1.00 0.00 C ATOM 3 C MET A 1 -6.387 -0.324 -3.085 1.00 0.00 C ATOM 4 O MET A 1 -5.255 0.091 -3.350 1.00 0.00 O ATOM 5 CB MET A 1 -7.835 -0.999 -5.026 1.00 0.00 C ATOM 6 CG MET A 1 -8.396 -2.305 -4.481 1.00 0.00 C ATOM 7 SD MET A 1 -8.671 -3.532 -5.772 1.00 0.00 S ATOM 8 CE MET A 1 -10.427 -3.335 -6.064 1.00 0.00 C ATOM 0 H1 MET A 1 -8.217 1.964 -4.520 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.557 1.861 -4.179 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.167 1.223 -5.629 1.00 0.00 H new ATOM 0 HA MET A 1 -8.449 0.141 -3.292 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.528 -0.598 -5.766 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.899 -1.205 -5.545 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.708 -2.711 -3.740 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.337 -2.106 -3.967 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.747 -4.030 -6.841 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.974 -3.542 -5.144 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.630 -2.313 -6.385 1.00 0.00 H new ATOM 20 N ASN A 2 -6.647 -1.118 -2.048 1.00 0.00 N ATOM 21 CA ASN A 2 -5.597 -1.564 -1.137 1.00 0.00 C ATOM 22 C ASN A 2 -5.030 -2.914 -1.573 1.00 0.00 C ATOM 23 O ASN A 2 -5.750 -3.753 -2.121 1.00 0.00 O ATOM 24 CB ASN A 2 -6.134 -1.669 0.293 1.00 0.00 C ATOM 25 CG ASN A 2 -6.705 -0.359 0.808 1.00 0.00 C ATOM 26 OD1 ASN A 2 -6.021 0.664 0.827 1.00 0.00 O ATOM 27 ND2 ASN A 2 -7.964 -0.386 1.233 1.00 0.00 N ATOM 0 H ASN A 2 -7.578 -1.466 -1.818 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.797 -0.824 -1.165 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -6.908 -2.436 0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.331 -1.994 0.954 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.399 0.463 1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.495 -1.256 1.199 1.00 0.00 H new ATOM 34 N VAL A 3 -3.740 -3.115 -1.318 1.00 0.00 N ATOM 35 CA VAL A 3 -3.063 -4.361 -1.669 1.00 0.00 C ATOM 36 C VAL A 3 -2.664 -5.135 -0.414 1.00 0.00 C ATOM 37 O VAL A 3 -2.215 -4.545 0.572 1.00 0.00 O ATOM 38 CB VAL A 3 -1.807 -4.111 -2.536 1.00 0.00 C ATOM 39 CG1 VAL A 3 -2.202 -3.673 -3.941 1.00 0.00 C ATOM 40 CG2 VAL A 3 -0.884 -3.084 -1.891 1.00 0.00 C ATOM 0 H VAL A 3 -3.139 -2.426 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.771 -4.951 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.260 -5.051 -2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.304 -3.502 -4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.804 -4.452 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.781 -2.751 -3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.011 -2.931 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.416 -2.140 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.564 -3.445 -0.914 1.00 0.00 H new ATOM 50 N THR A 4 -2.830 -6.457 -0.456 1.00 0.00 N ATOM 51 CA THR A 4 -2.487 -7.308 0.682 1.00 0.00 C ATOM 52 C THR A 4 -0.972 -7.460 0.791 1.00 0.00 C ATOM 53 O THR A 4 -0.332 -8.048 -0.084 1.00 0.00 O ATOM 54 CB THR A 4 -3.146 -8.686 0.543 1.00 0.00 C ATOM 55 OG1 THR A 4 -4.484 -8.567 0.086 1.00 0.00 O ATOM 56 CG2 THR A 4 -3.172 -9.472 1.839 1.00 0.00 C ATOM 0 H THR A 4 -3.199 -6.960 -1.263 1.00 0.00 H new ATOM 0 HA THR A 4 -2.861 -6.835 1.590 1.00 0.00 H new ATOM 0 HB THR A 4 -2.531 -9.223 -0.179 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.882 -9.459 0.004 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.651 -10.436 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.152 -9.630 2.189 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.731 -8.915 2.591 1.00 0.00 H new ATOM 64 N VAL A 5 -0.406 -6.914 1.866 1.00 0.00 N ATOM 65 CA VAL A 5 1.035 -6.971 2.093 1.00 0.00 C ATOM 66 C VAL A 5 1.370 -7.755 3.360 1.00 0.00 C ATOM 67 O VAL A 5 0.726 -7.584 4.399 1.00 0.00 O ATOM 68 CB VAL A 5 1.641 -5.554 2.193 1.00 0.00 C ATOM 69 CG1 VAL A 5 1.470 -4.807 0.878 1.00 0.00 C ATOM 70 CG2 VAL A 5 1.015 -4.769 3.339 1.00 0.00 C ATOM 0 H VAL A 5 -0.926 -6.426 2.595 1.00 0.00 H new ATOM 0 HA VAL A 5 1.470 -7.485 1.236 1.00 0.00 H new ATOM 0 HB VAL A 5 2.706 -5.657 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.903 -3.811 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.976 -5.353 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.409 -4.722 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.461 -3.775 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.059 -4.678 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.194 -5.292 4.279 1.00 0.00 H new ATOM 80 N GLU A 6 2.384 -8.616 3.268 1.00 0.00 N ATOM 81 CA GLU A 6 2.812 -9.425 4.406 1.00 0.00 C ATOM 82 C GLU A 6 3.722 -8.619 5.329 1.00 0.00 C ATOM 83 O GLU A 6 4.825 -8.228 4.944 1.00 0.00 O ATOM 84 CB GLU A 6 3.533 -10.690 3.928 1.00 0.00 C ATOM 85 CG GLU A 6 3.685 -11.752 5.007 1.00 0.00 C ATOM 86 CD GLU A 6 3.921 -13.139 4.438 1.00 0.00 C ATOM 87 OE1 GLU A 6 3.063 -13.622 3.670 1.00 0.00 O ATOM 88 OE2 GLU A 6 4.965 -13.743 4.763 1.00 0.00 O ATOM 0 H GLU A 6 2.923 -8.770 2.416 1.00 0.00 H new ATOM 0 HA GLU A 6 1.924 -9.720 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.984 -11.115 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.521 -10.417 3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.517 -11.485 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.788 -11.766 5.626 1.00 0.00 H new ATOM 95 N VAL A 7 3.246 -8.373 6.548 1.00 0.00 N ATOM 96 CA VAL A 7 4.010 -7.615 7.532 1.00 0.00 C ATOM 97 C VAL A 7 4.900 -8.544 8.354 1.00 0.00 C ATOM 98 O VAL A 7 4.449 -9.590 8.827 1.00 0.00 O ATOM 99 CB VAL A 7 3.084 -6.827 8.488 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.877 -5.806 9.291 1.00 0.00 C ATOM 101 CG2 VAL A 7 1.960 -6.147 7.715 1.00 0.00 C ATOM 0 H VAL A 7 2.333 -8.689 6.877 1.00 0.00 H new ATOM 0 HA VAL A 7 4.628 -6.906 6.980 1.00 0.00 H new ATOM 0 HB VAL A 7 2.638 -7.536 9.185 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.204 -5.264 9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.637 -6.318 9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.359 -5.103 8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.322 -5.599 8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.385 -5.455 6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.368 -6.900 7.195 1.00 0.00 H new ATOM 111 N VAL A 8 6.165 -8.161 8.521 1.00 0.00 N ATOM 112 CA VAL A 8 7.109 -8.970 9.291 1.00 0.00 C ATOM 113 C VAL A 8 6.940 -8.712 10.788 1.00 0.00 C ATOM 114 O VAL A 8 7.081 -7.577 11.251 1.00 0.00 O ATOM 115 CB VAL A 8 8.572 -8.683 8.879 1.00 0.00 C ATOM 116 CG1 VAL A 8 9.531 -9.642 9.575 1.00 0.00 C ATOM 117 CG2 VAL A 8 8.732 -8.768 7.367 1.00 0.00 C ATOM 0 H VAL A 8 6.558 -7.302 8.137 1.00 0.00 H new ATOM 0 HA VAL A 8 6.890 -10.016 9.076 1.00 0.00 H new ATOM 0 HB VAL A 8 8.819 -7.669 9.194 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.553 -9.420 9.269 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.442 -9.525 10.655 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.284 -10.667 9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.768 -8.563 7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.461 -9.768 7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.082 -8.034 6.891 1.00 0.00 H new ATOM 127 N GLY A 9 6.622 -9.771 11.536 1.00 0.00 N ATOM 128 CA GLY A 9 6.422 -9.644 12.974 1.00 0.00 C ATOM 129 C GLY A 9 4.976 -9.335 13.349 1.00 0.00 C ATOM 130 O GLY A 9 4.544 -9.636 14.463 1.00 0.00 O ATOM 0 H GLY A 9 6.499 -10.715 11.171 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.728 -10.570 13.461 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.068 -8.854 13.357 1.00 0.00 H new ATOM 134 N GLU A 10 4.233 -8.731 12.419 1.00 0.00 N ATOM 135 CA GLU A 10 2.833 -8.371 12.639 1.00 0.00 C ATOM 136 C GLU A 10 1.921 -9.114 11.661 1.00 0.00 C ATOM 137 O GLU A 10 2.392 -9.664 10.664 1.00 0.00 O ATOM 138 CB GLU A 10 2.654 -6.858 12.489 1.00 0.00 C ATOM 139 CG GLU A 10 1.625 -6.261 13.438 1.00 0.00 C ATOM 140 CD GLU A 10 0.470 -5.607 12.705 1.00 0.00 C ATOM 141 OE1 GLU A 10 0.687 -4.547 12.079 1.00 0.00 O ATOM 142 OE2 GLU A 10 -0.650 -6.156 12.754 1.00 0.00 O ATOM 0 H GLU A 10 4.585 -8.479 11.495 1.00 0.00 H new ATOM 0 HA GLU A 10 2.554 -8.663 13.651 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.614 -6.370 12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.359 -6.637 11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.240 -7.044 14.091 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.110 -5.523 14.077 1.00 0.00 H new ATOM 149 N GLU A 11 0.617 -9.137 11.960 1.00 0.00 N ATOM 150 CA GLU A 11 -0.366 -9.820 11.110 1.00 0.00 C ATOM 151 C GLU A 11 -0.372 -9.254 9.679 1.00 0.00 C ATOM 152 O GLU A 11 0.512 -8.481 9.302 1.00 0.00 O ATOM 153 CB GLU A 11 -1.764 -9.715 11.737 1.00 0.00 C ATOM 154 CG GLU A 11 -2.519 -11.039 11.786 1.00 0.00 C ATOM 155 CD GLU A 11 -2.056 -11.953 12.907 1.00 0.00 C ATOM 156 OE1 GLU A 11 -0.835 -12.194 13.020 1.00 0.00 O ATOM 157 OE2 GLU A 11 -2.919 -12.436 13.670 1.00 0.00 O ATOM 0 H GLU A 11 0.217 -8.690 12.785 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.081 -10.870 11.043 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.669 -9.324 12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.352 -8.993 11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.584 -10.838 11.907 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.398 -11.554 10.833 1.00 0.00 H new ATOM 164 N THR A 12 -1.365 -9.649 8.878 1.00 0.00 N ATOM 165 CA THR A 12 -1.457 -9.184 7.492 1.00 0.00 C ATOM 166 C THR A 12 -2.454 -8.035 7.356 1.00 0.00 C ATOM 167 O THR A 12 -3.582 -8.112 7.850 1.00 0.00 O ATOM 168 CB THR A 12 -1.859 -10.335 6.555 1.00 0.00 C ATOM 169 OG1 THR A 12 -1.492 -11.593 7.098 1.00 0.00 O ATOM 170 CG2 THR A 12 -1.236 -10.229 5.179 1.00 0.00 C ATOM 0 H THR A 12 -2.111 -10.284 9.162 1.00 0.00 H new ATOM 0 HA THR A 12 -0.470 -8.820 7.205 1.00 0.00 H new ATOM 0 HB THR A 12 -2.942 -10.256 6.458 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.761 -12.306 6.482 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.560 -11.071 4.567 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.549 -9.297 4.709 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.150 -10.242 5.269 1.00 0.00 H new ATOM 178 N SER A 13 -2.018 -6.967 6.682 1.00 0.00 N ATOM 179 CA SER A 13 -2.852 -5.785 6.473 1.00 0.00 C ATOM 180 C SER A 13 -2.801 -5.328 5.015 1.00 0.00 C ATOM 181 O SER A 13 -1.904 -5.715 4.260 1.00 0.00 O ATOM 182 CB SER A 13 -2.395 -4.646 7.392 1.00 0.00 C ATOM 183 OG SER A 13 -2.323 -5.072 8.742 1.00 0.00 O ATOM 0 H SER A 13 -1.087 -6.899 6.271 1.00 0.00 H new ATOM 0 HA SER A 13 -3.881 -6.051 6.714 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.418 -4.285 7.070 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.088 -3.808 7.309 1.00 0.00 H new ATOM 0 HG SER A 13 -2.028 -4.326 9.305 1.00 0.00 H new ATOM 189 N GLU A 14 -3.769 -4.498 4.624 1.00 0.00 N ATOM 190 CA GLU A 14 -3.841 -3.980 3.258 1.00 0.00 C ATOM 191 C GLU A 14 -3.423 -2.508 3.210 1.00 0.00 C ATOM 192 O GLU A 14 -3.761 -1.728 4.102 1.00 0.00 O ATOM 193 CB GLU A 14 -5.257 -4.148 2.691 1.00 0.00 C ATOM 194 CG GLU A 14 -6.325 -3.387 3.468 1.00 0.00 C ATOM 195 CD GLU A 14 -7.740 -3.701 3.009 1.00 0.00 C ATOM 196 OE1 GLU A 14 -7.962 -3.812 1.784 1.00 0.00 O ATOM 197 OE2 GLU A 14 -8.628 -3.830 3.878 1.00 0.00 O ATOM 0 H GLU A 14 -4.516 -4.170 5.236 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.148 -4.554 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.266 -3.811 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.512 -5.208 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.233 -3.625 4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.146 -2.317 3.365 1.00 0.00 H new ATOM 204 N VAL A 15 -2.680 -2.142 2.165 1.00 0.00 N ATOM 205 CA VAL A 15 -2.208 -0.768 1.995 1.00 0.00 C ATOM 206 C VAL A 15 -2.462 -0.264 0.572 1.00 0.00 C ATOM 207 O VAL A 15 -2.408 -1.034 -0.386 1.00 0.00 O ATOM 208 CB VAL A 15 -0.702 -0.651 2.329 1.00 0.00 C ATOM 209 CG1 VAL A 15 0.136 -1.514 1.395 1.00 0.00 C ATOM 210 CG2 VAL A 15 -0.244 0.801 2.279 1.00 0.00 C ATOM 0 H VAL A 15 -2.392 -2.779 1.423 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.772 -0.146 2.690 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.557 -1.018 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.190 -1.412 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.163 -2.557 1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.018 -1.191 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.818 0.856 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.413 1.201 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.809 1.386 3.004 1.00 0.00 H new ATOM 220 N ALA A 16 -2.732 1.034 0.443 1.00 0.00 N ATOM 221 CA ALA A 16 -2.991 1.639 -0.863 1.00 0.00 C ATOM 222 C ALA A 16 -1.686 2.020 -1.558 1.00 0.00 C ATOM 223 O ALA A 16 -0.855 2.732 -0.989 1.00 0.00 O ATOM 224 CB ALA A 16 -3.897 2.854 -0.717 1.00 0.00 C ATOM 0 H ALA A 16 -2.777 1.686 1.226 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.499 0.901 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.079 3.292 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.845 2.550 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.416 3.591 -0.074 1.00 0.00 H new ATOM 230 N VAL A 17 -1.511 1.533 -2.786 1.00 0.00 N ATOM 231 CA VAL A 17 -0.302 1.812 -3.562 1.00 0.00 C ATOM 232 C VAL A 17 -0.609 2.611 -4.829 1.00 0.00 C ATOM 233 O VAL A 17 -1.753 2.661 -5.287 1.00 0.00 O ATOM 234 CB VAL A 17 0.428 0.509 -3.957 1.00 0.00 C ATOM 235 CG1 VAL A 17 1.127 -0.101 -2.749 1.00 0.00 C ATOM 236 CG2 VAL A 17 -0.536 -0.488 -4.588 1.00 0.00 C ATOM 0 H VAL A 17 -2.191 0.943 -3.265 1.00 0.00 H new ATOM 0 HA VAL A 17 0.344 2.408 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 17 1.185 0.757 -4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.635 -1.018 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.856 0.607 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.390 -0.329 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.004 -1.396 -4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.325 -0.732 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.978 -0.050 -5.483 1.00 0.00 H new ATOM 246 N ASP A 18 0.432 3.231 -5.388 1.00 0.00 N ATOM 247 CA ASP A 18 0.305 4.035 -6.604 1.00 0.00 C ATOM 248 C ASP A 18 0.182 3.144 -7.845 1.00 0.00 C ATOM 249 O ASP A 18 -0.516 3.497 -8.797 1.00 0.00 O ATOM 250 CB ASP A 18 1.506 4.976 -6.744 1.00 0.00 C ATOM 251 CG ASP A 18 1.585 5.996 -5.619 1.00 0.00 C ATOM 252 OD1 ASP A 18 1.818 5.590 -4.461 1.00 0.00 O ATOM 253 OD2 ASP A 18 1.419 7.201 -5.898 1.00 0.00 O ATOM 0 H ASP A 18 1.380 3.190 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.605 4.630 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.423 4.388 -6.761 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.444 5.498 -7.699 1.00 0.00 H new ATOM 258 N ASP A 19 0.860 1.989 -7.822 1.00 0.00 N ATOM 259 CA ASP A 19 0.820 1.039 -8.942 1.00 0.00 C ATOM 260 C ASP A 19 -0.625 0.714 -9.330 1.00 0.00 C ATOM 261 O ASP A 19 -0.946 0.595 -10.513 1.00 0.00 O ATOM 262 CB ASP A 19 1.559 -0.256 -8.574 1.00 0.00 C ATOM 263 CG ASP A 19 2.379 -0.813 -9.726 1.00 0.00 C ATOM 264 OD1 ASP A 19 3.567 -0.443 -9.843 1.00 0.00 O ATOM 265 OD2 ASP A 19 1.833 -1.621 -10.506 1.00 0.00 O ATOM 0 H ASP A 19 1.443 1.690 -7.040 1.00 0.00 H new ATOM 0 HA ASP A 19 1.316 1.504 -9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.216 -0.066 -7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.834 -1.005 -8.255 1.00 0.00 H new ATOM 270 N ASP A 20 -1.486 0.580 -8.315 1.00 0.00 N ATOM 271 CA ASP A 20 -2.904 0.273 -8.519 1.00 0.00 C ATOM 272 C ASP A 20 -3.533 1.173 -9.587 1.00 0.00 C ATOM 273 O ASP A 20 -4.230 0.689 -10.481 1.00 0.00 O ATOM 274 CB ASP A 20 -3.666 0.426 -7.197 1.00 0.00 C ATOM 275 CG ASP A 20 -4.751 -0.620 -7.021 1.00 0.00 C ATOM 276 OD1 ASP A 20 -5.723 -0.606 -7.805 1.00 0.00 O ATOM 277 OD2 ASP A 20 -4.633 -1.444 -6.091 1.00 0.00 O ATOM 0 H ASP A 20 -1.221 0.681 -7.335 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.973 -0.757 -8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.963 0.357 -6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.114 1.419 -7.154 1.00 0.00 H new ATOM 282 N GLY A 21 -3.283 2.483 -9.489 1.00 0.00 N ATOM 283 CA GLY A 21 -3.835 3.423 -10.456 1.00 0.00 C ATOM 284 C GLY A 21 -5.331 3.650 -10.285 1.00 0.00 C ATOM 285 O GLY A 21 -6.023 3.988 -11.248 1.00 0.00 O ATOM 0 H GLY A 21 -2.710 2.907 -8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.316 4.377 -10.363 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.643 3.053 -11.463 1.00 0.00 H new ATOM 289 N THR A 22 -5.836 3.462 -9.063 1.00 0.00 N ATOM 290 CA THR A 22 -7.260 3.644 -8.777 1.00 0.00 C ATOM 291 C THR A 22 -7.528 5.019 -8.162 1.00 0.00 C ATOM 292 O THR A 22 -6.597 5.770 -7.870 1.00 0.00 O ATOM 293 CB THR A 22 -7.761 2.545 -7.832 1.00 0.00 C ATOM 294 OG1 THR A 22 -6.695 2.000 -7.072 1.00 0.00 O ATOM 295 CG2 THR A 22 -8.451 1.405 -8.553 1.00 0.00 C ATOM 0 H THR A 22 -5.279 3.184 -8.255 1.00 0.00 H new ATOM 0 HA THR A 22 -7.800 3.578 -9.721 1.00 0.00 H new ATOM 0 HB THR A 22 -8.487 3.035 -7.184 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.452 1.122 -7.432 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.781 0.662 -7.827 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.314 1.788 -9.098 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.755 0.944 -9.254 1.00 0.00 H new ATOM 303 N TYR A 23 -8.811 5.339 -7.965 1.00 0.00 N ATOM 304 CA TYR A 23 -9.209 6.623 -7.379 1.00 0.00 C ATOM 305 C TYR A 23 -8.615 6.804 -5.980 1.00 0.00 C ATOM 306 O TYR A 23 -8.265 7.918 -5.589 1.00 0.00 O ATOM 307 CB TYR A 23 -10.736 6.738 -7.317 1.00 0.00 C ATOM 308 CG TYR A 23 -11.337 7.487 -8.488 1.00 0.00 C ATOM 309 CD1 TYR A 23 -11.338 6.935 -9.765 1.00 0.00 C ATOM 310 CD2 TYR A 23 -11.902 8.745 -8.319 1.00 0.00 C ATOM 311 CE1 TYR A 23 -11.882 7.617 -10.836 1.00 0.00 C ATOM 312 CE2 TYR A 23 -12.449 9.432 -9.387 1.00 0.00 C ATOM 313 CZ TYR A 23 -12.438 8.863 -10.642 1.00 0.00 C ATOM 314 OH TYR A 23 -12.977 9.545 -11.707 1.00 0.00 O ATOM 0 H TYR A 23 -9.591 4.727 -8.203 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.819 7.413 -8.021 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -11.166 5.737 -7.278 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.017 7.242 -6.392 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.906 5.957 -9.922 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -11.914 9.194 -7.337 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.872 7.175 -11.822 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.883 10.410 -9.238 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.328 10.407 -11.400 1.00 0.00 H new ATOM 324 N ALA A 24 -8.501 5.701 -5.231 1.00 0.00 N ATOM 325 CA ALA A 24 -7.942 5.736 -3.879 1.00 0.00 C ATOM 326 C ALA A 24 -6.528 6.315 -3.881 1.00 0.00 C ATOM 327 O ALA A 24 -6.143 7.025 -2.953 1.00 0.00 O ATOM 328 CB ALA A 24 -7.946 4.345 -3.262 1.00 0.00 C ATOM 0 H ALA A 24 -8.790 4.773 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.572 6.387 -3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.527 4.392 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.969 3.972 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.345 3.673 -3.875 1.00 0.00 H new ATOM 334 N ASP A 25 -5.760 6.014 -4.932 1.00 0.00 N ATOM 335 CA ASP A 25 -4.394 6.519 -5.051 1.00 0.00 C ATOM 336 C ASP A 25 -4.375 8.047 -5.040 1.00 0.00 C ATOM 337 O ASP A 25 -3.499 8.658 -4.434 1.00 0.00 O ATOM 338 CB ASP A 25 -3.733 5.998 -6.331 1.00 0.00 C ATOM 339 CG ASP A 25 -2.259 6.352 -6.416 1.00 0.00 C ATOM 340 OD1 ASP A 25 -1.584 6.354 -5.362 1.00 0.00 O ATOM 341 OD2 ASP A 25 -1.777 6.627 -7.537 1.00 0.00 O ATOM 0 H ASP A 25 -6.062 5.425 -5.709 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.829 6.158 -4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.845 4.915 -6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.252 6.410 -7.196 1.00 0.00 H new ATOM 346 N LEU A 26 -5.355 8.659 -5.706 1.00 0.00 N ATOM 347 CA LEU A 26 -5.451 10.119 -5.758 1.00 0.00 C ATOM 348 C LEU A 26 -5.733 10.692 -4.368 1.00 0.00 C ATOM 349 O LEU A 26 -5.236 11.765 -4.022 1.00 0.00 O ATOM 350 CB LEU A 26 -6.549 10.552 -6.737 1.00 0.00 C ATOM 351 CG LEU A 26 -6.354 11.939 -7.360 1.00 0.00 C ATOM 352 CD1 LEU A 26 -6.007 11.818 -8.838 1.00 0.00 C ATOM 353 CD2 LEU A 26 -7.605 12.789 -7.169 1.00 0.00 C ATOM 0 H LEU A 26 -6.091 8.169 -6.215 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.495 10.509 -6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.610 9.816 -7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.506 10.536 -6.216 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.523 12.431 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.872 12.813 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.085 11.248 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.815 11.307 -9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.450 13.771 -7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.453 12.301 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.808 12.904 -6.104 1.00 0.00 H new ATOM 365 N VAL A 27 -6.528 9.966 -3.576 1.00 0.00 N ATOM 366 CA VAL A 27 -6.874 10.398 -2.222 1.00 0.00 C ATOM 367 C VAL A 27 -5.667 10.301 -1.289 1.00 0.00 C ATOM 368 O VAL A 27 -5.324 11.267 -0.608 1.00 0.00 O ATOM 369 CB VAL A 27 -8.039 9.565 -1.629 1.00 0.00 C ATOM 370 CG1 VAL A 27 -8.527 10.176 -0.321 1.00 0.00 C ATOM 371 CG2 VAL A 27 -9.185 9.442 -2.627 1.00 0.00 C ATOM 0 H VAL A 27 -6.943 9.076 -3.851 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.192 11.438 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.665 8.563 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.345 9.576 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.708 10.198 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.878 11.192 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.989 8.853 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.558 10.435 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.828 8.950 -3.532 1.00 0.00 H new ATOM 381 N ARG A 28 -5.017 9.132 -1.271 1.00 0.00 N ATOM 382 CA ARG A 28 -3.841 8.920 -0.422 1.00 0.00 C ATOM 383 C ARG A 28 -2.694 9.848 -0.830 1.00 0.00 C ATOM 384 O ARG A 28 -1.939 10.320 0.024 1.00 0.00 O ATOM 385 CB ARG A 28 -3.380 7.452 -0.453 1.00 0.00 C ATOM 386 CG ARG A 28 -3.268 6.856 -1.849 1.00 0.00 C ATOM 387 CD ARG A 28 -2.027 5.987 -1.994 1.00 0.00 C ATOM 388 NE ARG A 28 -0.838 6.776 -2.320 1.00 0.00 N ATOM 389 CZ ARG A 28 0.083 7.162 -1.427 1.00 0.00 C ATOM 390 NH1 ARG A 28 -0.032 6.830 -0.140 1.00 0.00 N ATOM 391 NH2 ARG A 28 1.125 7.881 -1.825 1.00 0.00 N ATOM 0 H ARG A 28 -5.284 8.323 -1.832 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.132 9.160 0.601 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.410 7.378 0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.079 6.852 0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.156 6.261 -2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.238 7.659 -2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.856 5.441 -1.066 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.194 5.244 -2.774 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.701 7.050 -3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.828 6.276 0.175 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.676 7.130 0.529 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.222 8.138 -2.807 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.829 8.177 -1.148 1.00 0.00 H new ATOM 405 N ALA A 29 -2.570 10.108 -2.137 1.00 0.00 N ATOM 406 CA ALA A 29 -1.519 10.985 -2.665 1.00 0.00 C ATOM 407 C ALA A 29 -1.544 12.374 -2.013 1.00 0.00 C ATOM 408 O ALA A 29 -0.522 13.060 -1.966 1.00 0.00 O ATOM 409 CB ALA A 29 -1.644 11.115 -4.179 1.00 0.00 C ATOM 0 H ALA A 29 -3.188 9.721 -2.851 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.562 10.524 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.857 11.769 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.548 10.131 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.617 11.538 -4.429 1.00 0.00 H new ATOM 415 N VAL A 30 -2.713 12.785 -1.508 1.00 0.00 N ATOM 416 CA VAL A 30 -2.861 14.091 -0.857 1.00 0.00 C ATOM 417 C VAL A 30 -2.480 14.032 0.633 1.00 0.00 C ATOM 418 O VAL A 30 -2.932 14.860 1.430 1.00 0.00 O ATOM 419 CB VAL A 30 -4.304 14.637 -0.997 1.00 0.00 C ATOM 420 CG1 VAL A 30 -4.334 16.143 -0.784 1.00 0.00 C ATOM 421 CG2 VAL A 30 -4.893 14.278 -2.356 1.00 0.00 C ATOM 0 H VAL A 30 -3.570 12.232 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.176 14.768 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.916 14.169 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.357 16.505 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.965 16.377 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.701 16.628 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.906 14.673 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.277 14.710 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.917 13.194 -2.467 1.00 0.00 H new ATOM 431 N ASP A 31 -1.650 13.046 1.008 1.00 0.00 N ATOM 432 CA ASP A 31 -1.210 12.879 2.394 1.00 0.00 C ATOM 433 C ASP A 31 -2.384 12.531 3.310 1.00 0.00 C ATOM 434 O ASP A 31 -2.560 13.130 4.373 1.00 0.00 O ATOM 435 CB ASP A 31 -0.495 14.143 2.892 1.00 0.00 C ATOM 436 CG ASP A 31 0.681 13.828 3.797 1.00 0.00 C ATOM 437 OD1 ASP A 31 1.624 13.151 3.331 1.00 0.00 O ATOM 438 OD2 ASP A 31 0.660 14.254 4.971 1.00 0.00 O ATOM 0 H ASP A 31 -1.271 12.352 0.364 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.505 12.048 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.146 14.720 2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.206 14.770 3.430 1.00 0.00 H new ATOM 443 N LEU A 32 -3.186 11.556 2.887 1.00 0.00 N ATOM 444 CA LEU A 32 -4.345 11.125 3.661 1.00 0.00 C ATOM 445 C LEU A 32 -4.389 9.599 3.778 1.00 0.00 C ATOM 446 O LEU A 32 -5.403 8.968 3.469 1.00 0.00 O ATOM 447 CB LEU A 32 -5.633 11.646 3.015 1.00 0.00 C ATOM 448 CG LEU A 32 -5.786 13.172 3.006 1.00 0.00 C ATOM 449 CD1 LEU A 32 -6.249 13.656 1.641 1.00 0.00 C ATOM 450 CD2 LEU A 32 -6.756 13.616 4.090 1.00 0.00 C ATOM 0 H LEU A 32 -3.053 11.050 2.011 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.259 11.539 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.677 11.286 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.485 11.214 3.540 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.813 13.617 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.352 14.741 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.516 13.371 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.211 13.204 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.853 14.702 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.731 13.161 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.380 13.304 5.064 1.00 0.00 H new ATOM 462 N SER A 33 -3.280 9.009 4.233 1.00 0.00 N ATOM 463 CA SER A 33 -3.190 7.560 4.400 1.00 0.00 C ATOM 464 C SER A 33 -3.219 7.183 5.881 1.00 0.00 C ATOM 465 O SER A 33 -2.485 7.755 6.685 1.00 0.00 O ATOM 466 CB SER A 33 -1.909 7.027 3.750 1.00 0.00 C ATOM 467 OG SER A 33 -2.151 5.809 3.064 1.00 0.00 O ATOM 0 H SER A 33 -2.433 9.515 4.492 1.00 0.00 H new ATOM 0 HA SER A 33 -4.052 7.107 3.909 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.516 7.768 3.054 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.147 6.872 4.514 1.00 0.00 H new ATOM 0 HG SER A 33 -1.318 5.492 2.657 1.00 0.00 H new ATOM 473 N PRO A 34 -4.082 6.219 6.266 1.00 0.00 N ATOM 474 CA PRO A 34 -4.206 5.780 7.659 1.00 0.00 C ATOM 475 C PRO A 34 -3.127 4.773 8.074 1.00 0.00 C ATOM 476 O PRO A 34 -2.700 4.756 9.229 1.00 0.00 O ATOM 477 CB PRO A 34 -5.588 5.129 7.684 1.00 0.00 C ATOM 478 CG PRO A 34 -5.777 4.586 6.308 1.00 0.00 C ATOM 479 CD PRO A 34 -5.010 5.491 5.375 1.00 0.00 C ATOM 0 HA PRO A 34 -4.083 6.607 8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.639 4.338 8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.363 5.854 7.933 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.410 3.562 6.242 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.834 4.563 6.043 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.472 4.920 4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.674 6.174 4.846 1.00 0.00 H new ATOM 487 N HIS A 35 -2.691 3.932 7.129 1.00 0.00 N ATOM 488 CA HIS A 35 -1.666 2.924 7.405 1.00 0.00 C ATOM 489 C HIS A 35 -0.261 3.534 7.394 1.00 0.00 C ATOM 490 O HIS A 35 0.559 3.224 8.259 1.00 0.00 O ATOM 491 CB HIS A 35 -1.754 1.787 6.378 1.00 0.00 C ATOM 492 CG HIS A 35 -1.354 0.441 6.911 1.00 0.00 C ATOM 493 ND1 HIS A 35 -1.604 0.030 8.205 1.00 0.00 N ATOM 494 CD2 HIS A 35 -0.720 -0.594 6.307 1.00 0.00 C ATOM 495 CE1 HIS A 35 -1.144 -1.198 8.372 1.00 0.00 C ATOM 496 NE2 HIS A 35 -0.605 -1.599 7.236 1.00 0.00 N ATOM 0 H HIS A 35 -3.033 3.931 6.168 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.850 2.525 8.402 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.777 1.728 6.005 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.118 2.032 5.527 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.370 -0.623 5.286 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.200 -1.775 9.283 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.173 -2.509 7.074 1.00 0.00 H new ATOM 505 N GLU A 36 0.005 4.402 6.409 1.00 0.00 N ATOM 506 CA GLU A 36 1.309 5.063 6.274 1.00 0.00 C ATOM 507 C GLU A 36 2.459 4.055 6.379 1.00 0.00 C ATOM 508 O GLU A 36 3.229 4.074 7.343 1.00 0.00 O ATOM 509 CB GLU A 36 1.469 6.158 7.338 1.00 0.00 C ATOM 510 CG GLU A 36 0.375 7.216 7.304 1.00 0.00 C ATOM 511 CD GLU A 36 0.763 8.442 6.498 1.00 0.00 C ATOM 512 OE1 GLU A 36 1.606 9.227 6.980 1.00 0.00 O ATOM 513 OE2 GLU A 36 0.221 8.619 5.388 1.00 0.00 O ATOM 0 H GLU A 36 -0.670 4.664 5.690 1.00 0.00 H new ATOM 0 HA GLU A 36 1.348 5.520 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.481 5.694 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.435 6.644 7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.531 6.781 6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.137 7.518 8.324 1.00 0.00 H new ATOM 520 N VAL A 37 2.565 3.173 5.385 1.00 0.00 N ATOM 521 CA VAL A 37 3.614 2.153 5.370 1.00 0.00 C ATOM 522 C VAL A 37 4.386 2.161 4.047 1.00 0.00 C ATOM 523 O VAL A 37 3.831 2.487 2.995 1.00 0.00 O ATOM 524 CB VAL A 37 3.032 0.743 5.609 1.00 0.00 C ATOM 525 CG1 VAL A 37 2.482 0.621 7.021 1.00 0.00 C ATOM 526 CG2 VAL A 37 1.953 0.422 4.584 1.00 0.00 C ATOM 0 H VAL A 37 1.938 3.144 4.581 1.00 0.00 H new ATOM 0 HA VAL A 37 4.299 2.398 6.182 1.00 0.00 H new ATOM 0 HB VAL A 37 3.839 0.019 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.077 -0.380 7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.282 0.798 7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.692 1.357 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.558 -0.576 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.147 1.152 4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.380 0.460 3.582 1.00 0.00 H new ATOM 536 N THR A 38 5.666 1.788 4.111 1.00 0.00 N ATOM 537 CA THR A 38 6.519 1.743 2.922 1.00 0.00 C ATOM 538 C THR A 38 6.360 0.409 2.190 1.00 0.00 C ATOM 539 O THR A 38 6.284 -0.649 2.818 1.00 0.00 O ATOM 540 CB THR A 38 7.990 1.973 3.302 1.00 0.00 C ATOM 541 OG1 THR A 38 8.821 1.912 2.154 1.00 0.00 O ATOM 542 CG2 THR A 38 8.525 0.975 4.309 1.00 0.00 C ATOM 0 H THR A 38 6.135 1.513 4.974 1.00 0.00 H new ATOM 0 HA THR A 38 6.206 2.542 2.250 1.00 0.00 H new ATOM 0 HB THR A 38 8.011 2.963 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.753 2.063 2.417 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.569 1.202 4.527 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.941 1.036 5.227 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.451 -0.032 3.898 1.00 0.00 H new ATOM 550 N VAL A 39 6.308 0.472 0.860 1.00 0.00 N ATOM 551 CA VAL A 39 6.153 -0.729 0.040 1.00 0.00 C ATOM 552 C VAL A 39 7.496 -1.194 -0.523 1.00 0.00 C ATOM 553 O VAL A 39 8.259 -0.398 -1.074 1.00 0.00 O ATOM 554 CB VAL A 39 5.157 -0.499 -1.122 1.00 0.00 C ATOM 555 CG1 VAL A 39 3.767 -0.194 -0.581 1.00 0.00 C ATOM 556 CG2 VAL A 39 5.631 0.620 -2.045 1.00 0.00 C ATOM 0 H VAL A 39 6.371 1.340 0.328 1.00 0.00 H new ATOM 0 HA VAL A 39 5.755 -1.506 0.692 1.00 0.00 H new ATOM 0 HB VAL A 39 5.109 -1.417 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.080 -0.035 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.419 -1.033 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.805 0.704 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.910 0.757 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.721 1.546 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.601 0.357 -2.467 1.00 0.00 H new ATOM 566 N LEU A 40 7.776 -2.489 -0.380 1.00 0.00 N ATOM 567 CA LEU A 40 9.025 -3.068 -0.875 1.00 0.00 C ATOM 568 C LEU A 40 8.792 -3.857 -2.160 1.00 0.00 C ATOM 569 O LEU A 40 7.711 -4.405 -2.375 1.00 0.00 O ATOM 570 CB LEU A 40 9.646 -3.983 0.183 1.00 0.00 C ATOM 571 CG LEU A 40 10.627 -3.307 1.144 1.00 0.00 C ATOM 572 CD1 LEU A 40 11.778 -2.666 0.380 1.00 0.00 C ATOM 573 CD2 LEU A 40 9.910 -2.270 1.998 1.00 0.00 C ATOM 0 H LEU A 40 7.154 -3.158 0.075 1.00 0.00 H new ATOM 0 HA LEU A 40 9.710 -2.248 -1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.843 -4.431 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.164 -4.797 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 40 11.039 -4.072 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.462 -2.192 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.311 -3.431 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.386 -1.916 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.623 -1.800 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.467 -1.511 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.125 -2.756 2.578 1.00 0.00 H new ATOM 585 N VAL A 41 9.820 -3.922 -3.004 1.00 0.00 N ATOM 586 CA VAL A 41 9.742 -4.648 -4.261 1.00 0.00 C ATOM 587 C VAL A 41 10.763 -5.777 -4.269 1.00 0.00 C ATOM 588 O VAL A 41 11.891 -5.599 -3.806 1.00 0.00 O ATOM 589 CB VAL A 41 10.004 -3.713 -5.465 1.00 0.00 C ATOM 590 CG1 VAL A 41 9.777 -4.439 -6.784 1.00 0.00 C ATOM 591 CG2 VAL A 41 9.131 -2.466 -5.385 1.00 0.00 C ATOM 0 H VAL A 41 10.721 -3.476 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 41 8.735 -5.056 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 41 11.049 -3.404 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.969 -3.757 -7.612 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.454 -5.291 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.746 -4.790 -6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.334 -1.824 -6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.080 -2.756 -5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.354 -1.924 -4.466 1.00 0.00 H new ATOM 601 N ASP A 42 10.368 -6.938 -4.790 1.00 0.00 N ATOM 602 CA ASP A 42 11.261 -8.093 -4.854 1.00 0.00 C ATOM 603 C ASP A 42 12.616 -7.677 -5.410 1.00 0.00 C ATOM 604 O ASP A 42 12.678 -7.087 -6.481 1.00 0.00 O ATOM 605 CB ASP A 42 10.637 -9.192 -5.718 1.00 0.00 C ATOM 606 CG ASP A 42 10.541 -8.824 -7.192 1.00 0.00 C ATOM 607 OD1 ASP A 42 9.878 -7.815 -7.516 1.00 0.00 O ATOM 608 OD2 ASP A 42 11.131 -9.545 -8.020 1.00 0.00 O ATOM 0 H ASP A 42 9.437 -7.103 -5.173 1.00 0.00 H new ATOM 0 HA ASP A 42 11.407 -8.486 -3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.228 -10.102 -5.617 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.639 -9.416 -5.342 1.00 0.00 H new ATOM 613 N GLY A 43 13.680 -7.962 -4.647 1.00 0.00 N ATOM 614 CA GLY A 43 15.042 -7.596 -5.038 1.00 0.00 C ATOM 615 C GLY A 43 15.318 -7.708 -6.530 1.00 0.00 C ATOM 616 O GLY A 43 15.885 -8.700 -6.989 1.00 0.00 O ATOM 0 H GLY A 43 13.620 -8.447 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.235 -6.571 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.745 -8.234 -4.502 1.00 0.00 H new ATOM 759 N GLU A 53 -2.508 -4.480 -12.794 1.00 0.00 N ATOM 760 CA GLU A 53 -2.847 -3.185 -12.198 1.00 0.00 C ATOM 761 C GLU A 53 -2.371 -3.109 -10.746 1.00 0.00 C ATOM 762 O GLU A 53 -1.896 -2.067 -10.298 1.00 0.00 O ATOM 763 CB GLU A 53 -4.361 -2.933 -12.270 1.00 0.00 C ATOM 764 CG GLU A 53 -5.205 -4.022 -11.615 1.00 0.00 C ATOM 765 CD GLU A 53 -6.555 -4.216 -12.284 1.00 0.00 C ATOM 766 OE1 GLU A 53 -6.607 -4.248 -13.533 1.00 0.00 O ATOM 767 OE2 GLU A 53 -7.562 -4.342 -11.556 1.00 0.00 O ATOM 0 HA GLU A 53 -2.335 -2.411 -12.770 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.583 -1.979 -11.792 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.654 -2.841 -13.316 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.656 -4.963 -11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.359 -3.771 -10.566 1.00 0.00 H new ATOM 774 N VAL A 54 -2.495 -4.221 -10.022 1.00 0.00 N ATOM 775 CA VAL A 54 -2.072 -4.281 -8.625 1.00 0.00 C ATOM 776 C VAL A 54 -0.780 -5.086 -8.474 1.00 0.00 C ATOM 777 O VAL A 54 -0.412 -5.859 -9.362 1.00 0.00 O ATOM 778 CB VAL A 54 -3.166 -4.906 -7.732 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.425 -4.054 -7.751 1.00 0.00 C ATOM 780 CG2 VAL A 54 -3.476 -6.332 -8.172 1.00 0.00 C ATOM 0 H VAL A 54 -2.885 -5.092 -10.381 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.895 -3.255 -8.303 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.790 -4.940 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.184 -4.511 -7.116 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.194 -3.056 -7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.801 -3.983 -8.772 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.249 -6.751 -7.528 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.827 -6.326 -9.204 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.574 -6.940 -8.099 1.00 0.00 H new ATOM 790 N ASP A 55 -0.099 -4.905 -7.340 1.00 0.00 N ATOM 791 CA ASP A 55 1.147 -5.618 -7.067 1.00 0.00 C ATOM 792 C ASP A 55 1.289 -5.913 -5.575 1.00 0.00 C ATOM 793 O ASP A 55 0.801 -5.156 -4.734 1.00 0.00 O ATOM 794 CB ASP A 55 2.351 -4.802 -7.552 1.00 0.00 C ATOM 795 CG ASP A 55 3.102 -5.483 -8.683 1.00 0.00 C ATOM 796 OD1 ASP A 55 3.486 -6.662 -8.520 1.00 0.00 O ATOM 797 OD2 ASP A 55 3.313 -4.834 -9.730 1.00 0.00 O ATOM 0 H ASP A 55 -0.391 -4.270 -6.597 1.00 0.00 H new ATOM 0 HA ASP A 55 1.118 -6.564 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.010 -3.822 -7.886 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.032 -4.635 -6.717 1.00 0.00 H new ATOM 802 N ARG A 56 1.970 -7.014 -5.252 1.00 0.00 N ATOM 803 CA ARG A 56 2.184 -7.397 -3.859 1.00 0.00 C ATOM 804 C ARG A 56 3.541 -6.897 -3.374 1.00 0.00 C ATOM 805 O ARG A 56 4.562 -7.103 -4.032 1.00 0.00 O ATOM 806 CB ARG A 56 2.090 -8.918 -3.693 1.00 0.00 C ATOM 807 CG ARG A 56 1.056 -9.350 -2.662 1.00 0.00 C ATOM 808 CD ARG A 56 0.002 -10.265 -3.272 1.00 0.00 C ATOM 809 NE ARG A 56 -0.030 -11.579 -2.626 1.00 0.00 N ATOM 810 CZ ARG A 56 -0.569 -12.671 -3.178 1.00 0.00 C ATOM 811 NH1 ARG A 56 -1.132 -12.617 -4.382 1.00 0.00 N ATOM 812 NH2 ARG A 56 -0.547 -13.825 -2.518 1.00 0.00 N ATOM 0 H ARG A 56 2.380 -7.652 -5.934 1.00 0.00 H new ATOM 0 HA ARG A 56 1.403 -6.936 -3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.843 -9.367 -4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.066 -9.306 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.554 -9.865 -1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 56 0.573 -8.469 -2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.978 -9.796 -3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.203 -10.390 -4.336 1.00 0.00 H new ATOM 0 HE ARG A 56 0.384 -11.666 -1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.156 -11.736 -4.895 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.540 -13.457 -4.792 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.120 -13.876 -1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.957 -14.660 -2.936 1.00 0.00 H new ATOM 826 N VAL A 57 3.537 -6.227 -2.225 1.00 0.00 N ATOM 827 CA VAL A 57 4.761 -5.677 -1.648 1.00 0.00 C ATOM 828 C VAL A 57 4.847 -5.961 -0.145 1.00 0.00 C ATOM 829 O VAL A 57 3.862 -6.369 0.471 1.00 0.00 O ATOM 830 CB VAL A 57 4.847 -4.151 -1.888 1.00 0.00 C ATOM 831 CG1 VAL A 57 4.992 -3.846 -3.373 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.628 -3.442 -1.315 1.00 0.00 C ATOM 0 H VAL A 57 2.697 -6.051 -1.673 1.00 0.00 H new ATOM 0 HA VAL A 57 5.599 -6.166 -2.145 1.00 0.00 H new ATOM 0 HB VAL A 57 5.732 -3.779 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.051 -2.767 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.900 -4.314 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.129 -4.238 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.712 -2.370 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.727 -3.822 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.572 -3.625 -0.242 1.00 0.00 H new ATOM 842 N LYS A 58 6.027 -5.745 0.437 1.00 0.00 N ATOM 843 CA LYS A 58 6.236 -5.975 1.869 1.00 0.00 C ATOM 844 C LYS A 58 6.306 -4.645 2.620 1.00 0.00 C ATOM 845 O LYS A 58 6.958 -3.704 2.166 1.00 0.00 O ATOM 846 CB LYS A 58 7.521 -6.779 2.111 1.00 0.00 C ATOM 847 CG LYS A 58 7.687 -7.975 1.184 1.00 0.00 C ATOM 848 CD LYS A 58 7.753 -9.282 1.959 1.00 0.00 C ATOM 849 CE LYS A 58 7.239 -10.450 1.129 1.00 0.00 C ATOM 850 NZ LYS A 58 7.473 -11.760 1.799 1.00 0.00 N ATOM 0 H LYS A 58 6.853 -5.411 -0.060 1.00 0.00 H new ATOM 0 HA LYS A 58 5.390 -6.550 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.379 -6.118 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.530 -7.129 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.854 -8.010 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.596 -7.855 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.782 -9.475 2.262 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.163 -9.195 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.172 -10.322 0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.732 -10.448 0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.108 -12.527 1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.493 -11.895 1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.982 -11.774 2.716 1.00 0.00 H new ATOM 864 N VAL A 59 5.633 -4.575 3.770 1.00 0.00 N ATOM 865 CA VAL A 59 5.625 -3.357 4.581 1.00 0.00 C ATOM 866 C VAL A 59 6.576 -3.479 5.768 1.00 0.00 C ATOM 867 O VAL A 59 6.622 -4.513 6.438 1.00 0.00 O ATOM 868 CB VAL A 59 4.210 -3.004 5.095 1.00 0.00 C ATOM 869 CG1 VAL A 59 3.356 -2.441 3.969 1.00 0.00 C ATOM 870 CG2 VAL A 59 3.536 -4.213 5.732 1.00 0.00 C ATOM 0 H VAL A 59 5.088 -5.345 4.159 1.00 0.00 H new ATOM 0 HA VAL A 59 5.962 -2.553 3.927 1.00 0.00 H new ATOM 0 HB VAL A 59 4.314 -2.238 5.864 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.364 -2.199 4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.823 -1.539 3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.268 -3.181 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.543 -3.933 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.448 -5.011 4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.134 -4.561 6.574 1.00 0.00 H new ATOM 880 N LEU A 60 7.337 -2.415 6.020 1.00 0.00 N ATOM 881 CA LEU A 60 8.295 -2.398 7.123 1.00 0.00 C ATOM 882 C LEU A 60 7.736 -1.648 8.331 1.00 0.00 C ATOM 883 O LEU A 60 7.539 -0.432 8.283 1.00 0.00 O ATOM 884 CB LEU A 60 9.612 -1.758 6.671 1.00 0.00 C ATOM 885 CG LEU A 60 10.872 -2.305 7.352 1.00 0.00 C ATOM 886 CD1 LEU A 60 12.096 -2.078 6.479 1.00 0.00 C ATOM 887 CD2 LEU A 60 11.064 -1.662 8.719 1.00 0.00 C ATOM 0 H LEU A 60 7.308 -1.553 5.475 1.00 0.00 H new ATOM 0 HA LEU A 60 8.482 -3.430 7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.712 -1.894 5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.557 -0.685 6.853 1.00 0.00 H new ATOM 0 HG LEU A 60 10.746 -3.379 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.979 -2.473 6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.962 -2.588 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.226 -1.010 6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.963 -2.063 9.187 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.166 -0.583 8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.200 -1.879 9.348 1.00 0.00 H new ATOM 899 N ARG A 61 7.489 -2.383 9.418 1.00 0.00 N ATOM 900 CA ARG A 61 6.960 -1.790 10.645 1.00 0.00 C ATOM 901 C ARG A 61 7.872 -2.109 11.836 1.00 0.00 C ATOM 902 O ARG A 61 7.428 -2.654 12.849 1.00 0.00 O ATOM 903 CB ARG A 61 5.531 -2.291 10.905 1.00 0.00 C ATOM 904 CG ARG A 61 4.816 -1.539 12.018 1.00 0.00 C ATOM 905 CD ARG A 61 3.310 -1.759 11.975 1.00 0.00 C ATOM 906 NE ARG A 61 2.731 -1.849 13.316 1.00 0.00 N ATOM 907 CZ ARG A 61 2.648 -0.822 14.172 1.00 0.00 C ATOM 908 NH1 ARG A 61 3.087 0.386 13.826 1.00 0.00 N ATOM 909 NH2 ARG A 61 2.120 -1.006 15.378 1.00 0.00 N ATOM 0 H ARG A 61 7.647 -3.389 9.472 1.00 0.00 H new ATOM 0 HA ARG A 61 6.930 -0.707 10.522 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.951 -2.202 9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.567 -3.351 11.158 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.203 -1.865 12.983 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.030 -0.474 11.932 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.839 -0.940 11.431 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.093 -2.674 11.424 1.00 0.00 H new ATOM 0 HE ARG A 61 2.367 -2.753 13.619 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.491 0.536 12.902 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.019 1.161 14.485 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.779 -1.928 15.650 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.056 -0.225 16.031 1.00 0.00 H new