USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 325 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 Single : A 7 SER OG : rot 137:sc= 0.281 USER MOD Single : A 16 GLN : amide:sc= -3.11! C(o=-3.1!,f=-4.7!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 75:sc= 0.95 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.00848 X(o=0.0085,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 4 20.759 -1.988 1.208 1.00 0.00 N ATOM 2 CA ILE A 4 20.185 -0.981 0.271 1.00 0.00 C ATOM 3 C ILE A 4 18.715 -1.276 -0.038 1.00 0.00 C ATOM 4 O ILE A 4 17.839 -0.477 0.293 1.00 0.00 O ATOM 5 CB ILE A 4 20.986 -0.920 -1.054 1.00 0.00 C ATOM 6 CG1 ILE A 4 22.406 -0.409 -0.797 1.00 0.00 C ATOM 7 CG2 ILE A 4 20.282 -0.025 -2.067 1.00 0.00 C ATOM 8 CD1 ILE A 4 23.455 -1.500 -0.807 1.00 0.00 C ATOM 0 HA ILE A 4 20.253 -0.014 0.770 1.00 0.00 H new ATOM 0 HB ILE A 4 21.045 -1.928 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.659 0.333 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.431 0.099 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 4 20.860 0.004 -2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 4 19.288 -0.422 -2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 4 20.193 0.983 -1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 4 24.436 -1.063 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 4 23.227 -2.231 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 4 23.458 -1.993 -1.779 1.00 0.00 H new ATOM 22 N VAL A 5 18.450 -2.428 -0.662 1.00 0.00 N ATOM 23 CA VAL A 5 17.081 -2.824 -1.008 1.00 0.00 C ATOM 24 C VAL A 5 16.247 -3.028 0.252 1.00 0.00 C ATOM 25 O VAL A 5 15.232 -2.362 0.450 1.00 0.00 O ATOM 26 CB VAL A 5 17.060 -4.113 -1.861 1.00 0.00 C ATOM 27 CG1 VAL A 5 15.631 -4.541 -2.160 1.00 0.00 C ATOM 28 CG2 VAL A 5 17.835 -3.912 -3.155 1.00 0.00 C ATOM 0 H VAL A 5 19.164 -3.102 -0.938 1.00 0.00 H new ATOM 0 HA VAL A 5 16.649 -2.016 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 5 17.542 -4.905 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.642 -5.450 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.105 -4.731 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.121 -3.749 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 5 17.809 -4.830 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.383 -3.102 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 5 18.870 -3.659 -2.924 1.00 0.00 H new ATOM 38 N LEU A 6 16.700 -3.938 1.114 1.00 0.00 N ATOM 39 CA LEU A 6 16.014 -4.211 2.374 1.00 0.00 C ATOM 40 C LEU A 6 16.077 -2.980 3.281 1.00 0.00 C ATOM 41 O LEU A 6 15.111 -2.643 3.961 1.00 0.00 O ATOM 42 CB LEU A 6 16.655 -5.418 3.065 1.00 0.00 C ATOM 43 CG LEU A 6 15.964 -6.757 2.805 1.00 0.00 C ATOM 44 CD1 LEU A 6 16.199 -7.211 1.374 1.00 0.00 C ATOM 45 CD2 LEU A 6 16.459 -7.808 3.783 1.00 0.00 C ATOM 0 H LEU A 6 17.539 -4.498 0.962 1.00 0.00 H new ATOM 0 HA LEU A 6 14.968 -4.440 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.693 -5.494 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.669 -5.237 4.140 1.00 0.00 H new ATOM 0 HG LEU A 6 14.892 -6.625 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.700 -8.166 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.798 -6.467 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.269 -7.326 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.957 -8.755 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 6 17.535 -7.936 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.240 -7.488 4.802 1.00 0.00 H new ATOM 57 N SER A 7 17.233 -2.312 3.262 1.00 0.00 N ATOM 58 CA SER A 7 17.464 -1.106 4.052 1.00 0.00 C ATOM 59 C SER A 7 16.485 -0.001 3.664 1.00 0.00 C ATOM 60 O SER A 7 15.794 0.556 4.515 1.00 0.00 O ATOM 61 CB SER A 7 18.896 -0.618 3.829 1.00 0.00 C ATOM 62 OG SER A 7 19.747 -1.679 3.403 1.00 0.00 O ATOM 0 H SER A 7 18.034 -2.594 2.697 1.00 0.00 H new ATOM 0 HA SER A 7 17.311 -1.349 5.104 1.00 0.00 H new ATOM 0 HB2 SER A 7 18.899 0.175 3.082 1.00 0.00 H new ATOM 0 HB3 SER A 7 19.283 -0.188 4.753 1.00 0.00 H new ATOM 0 HG SER A 7 20.329 -1.362 2.681 1.00 0.00 H new ATOM 68 N LEU A 8 16.450 0.305 2.365 1.00 0.00 N ATOM 69 CA LEU A 8 15.575 1.340 1.801 1.00 0.00 C ATOM 70 C LEU A 8 15.558 2.625 2.642 1.00 0.00 C ATOM 71 O LEU A 8 14.537 3.312 2.722 1.00 0.00 O ATOM 72 CB LEU A 8 14.147 0.800 1.597 1.00 0.00 C ATOM 73 CG LEU A 8 13.542 0.018 2.768 1.00 0.00 C ATOM 74 CD1 LEU A 8 12.850 0.956 3.742 1.00 0.00 C ATOM 75 CD2 LEU A 8 12.566 -1.027 2.257 1.00 0.00 C ATOM 0 H LEU A 8 17.032 -0.161 1.668 1.00 0.00 H new ATOM 0 HA LEU A 8 15.991 1.606 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.492 1.642 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.148 0.154 0.719 1.00 0.00 H new ATOM 0 HG LEU A 8 14.351 -0.487 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.428 0.379 4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.573 1.672 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.052 1.491 3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.145 -1.574 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.764 -0.537 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.088 -1.721 1.598 1.00 0.00 H new ATOM 87 N ASP A 9 16.703 2.963 3.243 1.00 0.00 N ATOM 88 CA ASP A 9 16.814 4.179 4.049 1.00 0.00 C ATOM 89 C ASP A 9 16.925 5.410 3.152 1.00 0.00 C ATOM 90 O ASP A 9 16.100 6.321 3.236 1.00 0.00 O ATOM 91 CB ASP A 9 18.019 4.097 4.987 1.00 0.00 C ATOM 92 CG ASP A 9 17.924 5.089 6.127 1.00 0.00 C ATOM 93 OD1 ASP A 9 17.067 4.896 7.011 1.00 0.00 O ATOM 94 OD2 ASP A 9 18.704 6.061 6.128 1.00 0.00 O ATOM 0 H ASP A 9 17.561 2.414 3.186 1.00 0.00 H new ATOM 0 HA ASP A 9 15.911 4.270 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.095 3.088 5.391 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.932 4.283 4.421 1.00 0.00 H new ATOM 99 N VAL A 10 17.939 5.427 2.279 1.00 0.00 N ATOM 100 CA VAL A 10 18.132 6.544 1.355 1.00 0.00 C ATOM 101 C VAL A 10 16.813 6.892 0.657 1.00 0.00 C ATOM 102 O VAL A 10 16.374 8.043 0.687 1.00 0.00 O ATOM 103 CB VAL A 10 19.221 6.243 0.298 1.00 0.00 C ATOM 104 CG1 VAL A 10 19.395 7.421 -0.650 1.00 0.00 C ATOM 105 CG2 VAL A 10 20.544 5.903 0.970 1.00 0.00 C ATOM 0 H VAL A 10 18.633 4.684 2.195 1.00 0.00 H new ATOM 0 HA VAL A 10 18.469 7.396 1.946 1.00 0.00 H new ATOM 0 HB VAL A 10 18.897 5.380 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 10 20.166 7.186 -1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.453 7.618 -1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.691 8.304 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.296 5.695 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.869 6.746 1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 10 20.416 5.025 1.603 1.00 0.00 H new ATOM 115 N PRO A 11 16.136 5.892 0.045 1.00 0.00 N ATOM 116 CA PRO A 11 14.857 6.106 -0.620 1.00 0.00 C ATOM 117 C PRO A 11 13.684 6.019 0.340 1.00 0.00 C ATOM 118 O PRO A 11 12.661 5.395 0.046 1.00 0.00 O ATOM 119 CB PRO A 11 14.815 4.981 -1.643 1.00 0.00 C ATOM 120 CG PRO A 11 15.586 3.862 -1.021 1.00 0.00 C ATOM 121 CD PRO A 11 16.548 4.478 -0.031 1.00 0.00 C ATOM 0 HA PRO A 11 14.775 7.101 -1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.789 4.682 -1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.262 5.290 -2.588 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.915 3.163 -0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.126 3.297 -1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.483 3.992 0.942 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.580 4.382 -0.367 1.00 0.00 H new ATOM 129 N ILE A 12 13.830 6.673 1.481 1.00 0.00 N ATOM 130 CA ILE A 12 12.786 6.694 2.480 1.00 0.00 C ATOM 131 C ILE A 12 11.509 7.307 1.904 1.00 0.00 C ATOM 132 O ILE A 12 10.402 6.967 2.321 1.00 0.00 O ATOM 133 CB ILE A 12 13.248 7.447 3.754 1.00 0.00 C ATOM 134 CG1 ILE A 12 13.563 6.438 4.865 1.00 0.00 C ATOM 135 CG2 ILE A 12 12.217 8.476 4.215 1.00 0.00 C ATOM 136 CD1 ILE A 12 12.702 6.578 6.105 1.00 0.00 C ATOM 0 H ILE A 12 14.667 7.197 1.735 1.00 0.00 H new ATOM 0 HA ILE A 12 12.568 5.666 2.770 1.00 0.00 H new ATOM 0 HB ILE A 12 14.154 8.002 3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.444 5.430 4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.609 6.546 5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.581 8.980 5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.057 9.210 3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.276 7.973 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.994 5.825 6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.838 7.572 6.532 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.654 6.438 5.838 1.00 0.00 H new ATOM 148 N GLY A 13 11.672 8.186 0.914 1.00 0.00 N ATOM 149 CA GLY A 13 10.523 8.799 0.273 1.00 0.00 C ATOM 150 C GLY A 13 9.722 7.785 -0.512 1.00 0.00 C ATOM 151 O GLY A 13 8.494 7.862 -0.569 1.00 0.00 O ATOM 0 H GLY A 13 12.577 8.482 0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.887 9.261 1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.858 9.595 -0.393 1.00 0.00 H new ATOM 155 N LEU A 14 10.423 6.809 -1.094 1.00 0.00 N ATOM 156 CA LEU A 14 9.773 5.750 -1.861 1.00 0.00 C ATOM 157 C LEU A 14 8.833 4.953 -0.963 1.00 0.00 C ATOM 158 O LEU A 14 7.754 4.532 -1.386 1.00 0.00 O ATOM 159 CB LEU A 14 10.819 4.821 -2.496 1.00 0.00 C ATOM 160 CG LEU A 14 11.946 5.521 -3.265 1.00 0.00 C ATOM 161 CD1 LEU A 14 12.607 4.555 -4.232 1.00 0.00 C ATOM 162 CD2 LEU A 14 11.423 6.737 -4.013 1.00 0.00 C ATOM 0 H LEU A 14 11.439 6.732 -1.047 1.00 0.00 H new ATOM 0 HA LEU A 14 9.192 6.209 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.264 4.212 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.308 4.139 -3.176 1.00 0.00 H new ATOM 0 HG LEU A 14 12.688 5.859 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.405 5.067 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.025 3.714 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.867 4.189 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.243 7.214 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.657 6.426 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.994 7.444 -3.303 1.00 0.00 H new ATOM 174 N LEU A 15 9.240 4.779 0.292 1.00 0.00 N ATOM 175 CA LEU A 15 8.423 4.060 1.265 1.00 0.00 C ATOM 176 C LEU A 15 7.396 4.998 1.896 1.00 0.00 C ATOM 177 O LEU A 15 6.307 4.570 2.278 1.00 0.00 O ATOM 178 CB LEU A 15 9.304 3.395 2.334 1.00 0.00 C ATOM 179 CG LEU A 15 9.630 4.255 3.554 1.00 0.00 C ATOM 180 CD1 LEU A 15 8.666 3.959 4.691 1.00 0.00 C ATOM 181 CD2 LEU A 15 11.064 4.024 4.002 1.00 0.00 C ATOM 0 H LEU A 15 10.127 5.125 0.658 1.00 0.00 H new ATOM 0 HA LEU A 15 7.882 3.269 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.806 2.487 2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.240 3.089 1.868 1.00 0.00 H new ATOM 0 HG LEU A 15 9.520 5.302 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.915 4.581 5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.647 4.175 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.744 2.908 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.278 4.645 4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.199 2.974 4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.745 4.287 3.192 1.00 0.00 H new ATOM 193 N GLN A 16 7.733 6.287 1.964 1.00 0.00 N ATOM 194 CA GLN A 16 6.826 7.282 2.502 1.00 0.00 C ATOM 195 C GLN A 16 5.647 7.445 1.552 1.00 0.00 C ATOM 196 O GLN A 16 4.505 7.585 1.978 1.00 0.00 O ATOM 197 CB GLN A 16 7.544 8.623 2.690 1.00 0.00 C ATOM 198 CG GLN A 16 8.398 8.698 3.950 1.00 0.00 C ATOM 199 CD GLN A 16 7.623 8.393 5.221 1.00 0.00 C ATOM 200 OE1 GLN A 16 6.461 8.766 5.362 1.00 0.00 O ATOM 201 NE2 GLN A 16 8.268 7.712 6.155 1.00 0.00 N ATOM 0 H GLN A 16 8.630 6.659 1.651 1.00 0.00 H new ATOM 0 HA GLN A 16 6.468 6.951 3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.177 8.809 1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.801 9.420 2.719 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.227 7.996 3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.832 9.695 4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.233 7.421 5.999 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.800 7.479 7.031 1.00 0.00 H new ATOM 210 N ILE A 17 5.936 7.403 0.251 1.00 0.00 N ATOM 211 CA ILE A 17 4.897 7.531 -0.768 1.00 0.00 C ATOM 212 C ILE A 17 3.899 6.385 -0.687 1.00 0.00 C ATOM 213 O ILE A 17 2.684 6.609 -0.724 1.00 0.00 O ATOM 214 CB ILE A 17 5.503 7.596 -2.183 1.00 0.00 C ATOM 215 CG1 ILE A 17 6.357 8.860 -2.323 1.00 0.00 C ATOM 216 CG2 ILE A 17 4.409 7.552 -3.245 1.00 0.00 C ATOM 217 CD1 ILE A 17 5.675 9.990 -3.067 1.00 0.00 C ATOM 0 H ILE A 17 6.878 7.282 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 17 4.372 8.466 -0.572 1.00 0.00 H new ATOM 0 HB ILE A 17 6.141 6.726 -2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.634 9.210 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.282 8.605 -2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.861 7.599 -4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.845 6.625 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.738 8.401 -3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.347 10.847 -3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.422 9.662 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.765 10.276 -2.540 1.00 0.00 H new ATOM 229 N LEU A 18 4.407 5.159 -0.545 1.00 0.00 N ATOM 230 CA LEU A 18 3.536 3.994 -0.430 1.00 0.00 C ATOM 231 C LEU A 18 2.654 4.084 0.823 1.00 0.00 C ATOM 232 O LEU A 18 1.716 3.303 0.982 1.00 0.00 O ATOM 233 CB LEU A 18 4.360 2.699 -0.436 1.00 0.00 C ATOM 234 CG LEU A 18 4.789 2.195 0.939 1.00 0.00 C ATOM 235 CD1 LEU A 18 3.787 1.188 1.480 1.00 0.00 C ATOM 236 CD2 LEU A 18 6.177 1.581 0.876 1.00 0.00 C ATOM 0 H LEU A 18 5.405 4.951 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 18 2.875 3.978 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.777 1.919 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.252 2.858 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 18 4.820 3.047 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.113 0.842 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.808 1.660 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.721 0.339 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.464 1.228 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.173 0.743 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.892 2.331 0.537 1.00 0.00 H new ATOM 248 N LEU A 19 2.934 5.057 1.696 1.00 0.00 N ATOM 249 CA LEU A 19 2.135 5.253 2.899 1.00 0.00 C ATOM 250 C LEU A 19 1.556 6.674 2.955 1.00 0.00 C ATOM 251 O LEU A 19 0.900 7.043 3.932 1.00 0.00 O ATOM 252 CB LEU A 19 2.954 4.949 4.160 1.00 0.00 C ATOM 253 CG LEU A 19 4.217 5.786 4.338 1.00 0.00 C ATOM 254 CD1 LEU A 19 3.887 7.139 4.947 1.00 0.00 C ATOM 255 CD2 LEU A 19 5.227 5.048 5.200 1.00 0.00 C ATOM 0 H LEU A 19 3.705 5.716 1.589 1.00 0.00 H new ATOM 0 HA LEU A 19 1.301 4.552 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.316 5.096 5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.236 3.896 4.145 1.00 0.00 H new ATOM 0 HG LEU A 19 4.656 5.953 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.803 7.718 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.200 7.675 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.421 6.995 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.122 5.660 5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.793 4.850 6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.492 4.105 4.723 1.00 0.00 H new ATOM 267 N GLU A 20 1.795 7.464 1.904 1.00 0.00 N ATOM 268 CA GLU A 20 1.292 8.826 1.838 1.00 0.00 C ATOM 269 C GLU A 20 0.133 8.930 0.860 1.00 0.00 C ATOM 270 O GLU A 20 -0.962 9.362 1.224 1.00 0.00 O ATOM 271 CB GLU A 20 2.415 9.775 1.426 1.00 0.00 C ATOM 272 CG GLU A 20 3.279 10.228 2.589 1.00 0.00 C ATOM 273 CD GLU A 20 3.290 11.732 2.762 1.00 0.00 C ATOM 274 OE1 GLU A 20 4.130 12.397 2.119 1.00 0.00 O ATOM 275 OE2 GLU A 20 2.459 12.243 3.539 1.00 0.00 O ATOM 0 H GLU A 20 2.336 7.176 1.089 1.00 0.00 H new ATOM 0 HA GLU A 20 0.929 9.107 2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.045 9.281 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.982 10.650 0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.917 9.764 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.300 9.877 2.436 1.00 0.00 H new ATOM 282 N GLN A 21 0.369 8.514 -0.382 1.00 0.00 N ATOM 283 CA GLN A 21 -0.675 8.557 -1.399 1.00 0.00 C ATOM 284 C GLN A 21 -1.411 7.231 -1.497 1.00 0.00 C ATOM 285 O GLN A 21 -2.392 7.110 -2.234 1.00 0.00 O ATOM 286 CB GLN A 21 -0.100 8.974 -2.757 1.00 0.00 C ATOM 287 CG GLN A 21 0.712 7.886 -3.450 1.00 0.00 C ATOM 288 CD GLN A 21 0.540 7.900 -4.957 1.00 0.00 C ATOM 289 OE1 GLN A 21 -0.534 7.595 -5.474 1.00 0.00 O ATOM 290 NE2 GLN A 21 1.597 8.259 -5.673 1.00 0.00 N ATOM 0 H GLN A 21 1.264 8.147 -0.705 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.401 9.311 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.920 9.272 -3.410 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.532 9.851 -2.618 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.767 8.015 -3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.412 6.912 -3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.470 8.505 -5.206 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.537 8.290 -6.691 1.00 0.00 H new ATOM 299 N ALA A 22 -0.969 6.256 -0.716 1.00 0.00 N ATOM 300 CA ALA A 22 -1.626 4.962 -0.685 1.00 0.00 C ATOM 301 C ALA A 22 -2.771 4.984 0.326 1.00 0.00 C ATOM 302 O ALA A 22 -3.665 4.144 0.279 1.00 0.00 O ATOM 303 CB ALA A 22 -0.633 3.860 -0.355 1.00 0.00 C ATOM 0 H ALA A 22 -0.161 6.338 -0.098 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.037 4.754 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.148 2.899 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.151 3.838 -1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.188 4.051 0.622 1.00 0.00 H new ATOM 309 N ARG A 23 -2.753 5.968 1.234 1.00 0.00 N ATOM 310 CA ARG A 23 -3.803 6.100 2.241 1.00 0.00 C ATOM 311 C ARG A 23 -5.173 6.215 1.580 1.00 0.00 C ATOM 312 O ARG A 23 -6.022 5.341 1.744 1.00 0.00 O ATOM 313 CB ARG A 23 -3.532 7.315 3.138 1.00 0.00 C ATOM 314 CG ARG A 23 -2.188 7.281 3.871 1.00 0.00 C ATOM 315 CD ARG A 23 -1.699 5.862 4.159 1.00 0.00 C ATOM 316 NE ARG A 23 -1.805 5.519 5.577 1.00 0.00 N ATOM 317 CZ ARG A 23 -0.880 5.794 6.496 1.00 0.00 C ATOM 318 NH1 ARG A 23 0.234 6.425 6.175 1.00 0.00 N ATOM 319 NH2 ARG A 23 -1.080 5.430 7.750 1.00 0.00 N ATOM 0 H ARG A 23 -2.024 6.680 1.289 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.800 5.204 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.575 8.217 2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.331 7.391 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.441 7.802 3.272 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.279 7.825 4.811 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.281 5.152 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.661 5.765 3.840 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.648 5.034 5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.398 6.711 5.210 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.931 6.627 6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.938 4.942 8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.377 5.637 8.459 1.00 0.00 H new ATOM 333 N ALA A 24 -5.377 7.285 0.817 1.00 0.00 N ATOM 334 CA ALA A 24 -6.646 7.496 0.117 1.00 0.00 C ATOM 335 C ALA A 24 -6.783 6.608 -1.125 1.00 0.00 C ATOM 336 O ALA A 24 -7.773 6.706 -1.856 1.00 0.00 O ATOM 337 CB ALA A 24 -6.814 8.967 -0.243 1.00 0.00 C ATOM 0 H ALA A 24 -4.684 8.019 0.666 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.446 7.206 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.762 9.108 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.806 9.567 0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.995 9.279 -0.891 1.00 0.00 H new ATOM 343 N ARG A 25 -5.802 5.735 -1.357 1.00 0.00 N ATOM 344 CA ARG A 25 -5.836 4.821 -2.485 1.00 0.00 C ATOM 345 C ARG A 25 -6.147 3.414 -1.990 1.00 0.00 C ATOM 346 O ARG A 25 -6.967 2.704 -2.569 1.00 0.00 O ATOM 347 CB ARG A 25 -4.504 4.872 -3.226 1.00 0.00 C ATOM 348 CG ARG A 25 -4.631 5.342 -4.667 1.00 0.00 C ATOM 349 CD ARG A 25 -4.617 6.865 -4.763 1.00 0.00 C ATOM 350 NE ARG A 25 -5.784 7.470 -4.103 1.00 0.00 N ATOM 351 CZ ARG A 25 -6.215 8.703 -4.312 1.00 0.00 C ATOM 352 NH1 ARG A 25 -5.596 9.498 -5.163 1.00 0.00 N ATOM 353 NH2 ARG A 25 -7.273 9.141 -3.662 1.00 0.00 N ATOM 0 H ARG A 25 -4.972 5.646 -0.771 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.620 5.116 -3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.826 5.538 -2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.052 3.880 -3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.812 4.932 -5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.557 4.958 -5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.704 7.248 -4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.599 7.162 -5.812 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.299 6.896 -3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.775 9.164 -5.668 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.938 10.447 -5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.755 8.531 -3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.611 10.091 -3.818 1.00 0.00 H new ATOM 367 N ALA A 26 -5.516 3.042 -0.886 1.00 0.00 N ATOM 368 CA ALA A 26 -5.743 1.751 -0.266 1.00 0.00 C ATOM 369 C ALA A 26 -6.989 1.797 0.617 1.00 0.00 C ATOM 370 O ALA A 26 -7.545 0.757 0.953 1.00 0.00 O ATOM 371 CB ALA A 26 -4.524 1.319 0.537 1.00 0.00 C ATOM 0 H ALA A 26 -4.836 3.626 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.907 1.013 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.715 0.348 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.660 1.246 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.323 2.054 1.317 1.00 0.00 H new ATOM 377 N ALA A 27 -7.449 3.006 0.972 1.00 0.00 N ATOM 378 CA ALA A 27 -8.645 3.139 1.785 1.00 0.00 C ATOM 379 C ALA A 27 -9.839 2.544 1.055 1.00 0.00 C ATOM 380 O ALA A 27 -10.692 1.895 1.660 1.00 0.00 O ATOM 381 CB ALA A 27 -8.896 4.598 2.149 1.00 0.00 C ATOM 0 H ALA A 27 -7.011 3.889 0.708 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.499 2.589 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.797 4.671 2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.046 4.984 2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.025 5.183 1.238 1.00 0.00 H new ATOM 387 N ARG A 28 -9.873 2.743 -0.260 1.00 0.00 N ATOM 388 CA ARG A 28 -10.949 2.190 -1.081 1.00 0.00 C ATOM 389 C ARG A 28 -10.734 0.698 -1.341 1.00 0.00 C ATOM 390 O ARG A 28 -11.659 -0.023 -1.730 1.00 0.00 O ATOM 391 CB ARG A 28 -11.032 2.930 -2.413 1.00 0.00 C ATOM 392 CG ARG A 28 -9.741 2.869 -3.218 1.00 0.00 C ATOM 393 CD ARG A 28 -9.970 3.263 -4.662 1.00 0.00 C ATOM 394 NE ARG A 28 -10.656 4.551 -4.760 1.00 0.00 N ATOM 395 CZ ARG A 28 -11.251 4.998 -5.857 1.00 0.00 C ATOM 396 NH1 ARG A 28 -11.230 4.285 -6.968 1.00 0.00 N ATOM 397 NH2 ARG A 28 -11.860 6.164 -5.842 1.00 0.00 N ATOM 0 H ARG A 28 -9.175 3.278 -0.777 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.883 2.318 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.842 2.506 -3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.286 3.973 -2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.001 3.533 -2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.331 1.860 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.014 3.318 -5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.561 2.495 -5.161 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.678 5.144 -3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.754 3.383 -6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.690 4.636 -7.808 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.873 6.721 -4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.319 6.511 -6.685 1.00 0.00 H new ATOM 411 N GLU A 29 -9.508 0.246 -1.125 1.00 0.00 N ATOM 412 CA GLU A 29 -9.155 -1.147 -1.340 1.00 0.00 C ATOM 413 C GLU A 29 -9.253 -1.945 -0.051 1.00 0.00 C ATOM 414 O GLU A 29 -9.735 -3.076 -0.047 1.00 0.00 O ATOM 415 CB GLU A 29 -7.748 -1.232 -1.918 1.00 0.00 C ATOM 416 CG GLU A 29 -7.733 -1.289 -3.438 1.00 0.00 C ATOM 417 CD GLU A 29 -7.105 -2.558 -3.973 1.00 0.00 C ATOM 418 OE1 GLU A 29 -7.804 -3.592 -4.015 1.00 0.00 O ATOM 419 OE2 GLU A 29 -5.916 -2.518 -4.352 1.00 0.00 O ATOM 0 H GLU A 29 -8.737 0.829 -0.799 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.862 -1.580 -2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.172 -0.368 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.251 -2.117 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.755 -1.210 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.186 -0.428 -3.824 1.00 0.00 H new ATOM 426 N GLN A 30 -8.810 -1.340 1.043 1.00 0.00 N ATOM 427 CA GLN A 30 -8.852 -1.971 2.355 1.00 0.00 C ATOM 428 C GLN A 30 -10.253 -2.494 2.663 1.00 0.00 C ATOM 429 O GLN A 30 -10.414 -3.562 3.256 1.00 0.00 O ATOM 430 CB GLN A 30 -8.410 -0.972 3.421 1.00 0.00 C ATOM 431 CG GLN A 30 -6.967 -1.159 3.857 1.00 0.00 C ATOM 432 CD GLN A 30 -6.797 -1.077 5.358 1.00 0.00 C ATOM 433 OE1 GLN A 30 -6.258 -1.985 5.984 1.00 0.00 O ATOM 434 NE2 GLN A 30 -7.254 0.017 5.945 1.00 0.00 N ATOM 0 H GLN A 30 -8.413 -0.401 1.046 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.169 -2.820 2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.538 0.040 3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.060 -1.067 4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.608 -2.127 3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.347 -0.398 3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.696 0.748 5.388 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.165 0.129 6.955 1.00 0.00 H new ATOM 443 N ALA A 31 -11.258 -1.741 2.227 1.00 0.00 N ATOM 444 CA ALA A 31 -12.653 -2.128 2.423 1.00 0.00 C ATOM 445 C ALA A 31 -13.089 -3.113 1.344 1.00 0.00 C ATOM 446 O ALA A 31 -13.863 -4.039 1.600 1.00 0.00 O ATOM 447 CB ALA A 31 -13.550 -0.895 2.425 1.00 0.00 C ATOM 0 H ALA A 31 -11.133 -0.857 1.734 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.746 -2.620 3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.586 -1.199 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.250 -0.228 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.456 -0.375 1.471 1.00 0.00 H new ATOM 453 N THR A 32 -12.557 -2.916 0.144 1.00 0.00 N ATOM 454 CA THR A 32 -12.851 -3.783 -0.992 1.00 0.00 C ATOM 455 C THR A 32 -12.228 -5.156 -0.771 1.00 0.00 C ATOM 456 O THR A 32 -12.903 -6.176 -0.881 1.00 0.00 O ATOM 457 CB THR A 32 -12.326 -3.159 -2.290 1.00 0.00 C ATOM 458 OG1 THR A 32 -12.947 -1.909 -2.530 1.00 0.00 O ATOM 459 CG2 THR A 32 -12.562 -4.018 -3.513 1.00 0.00 C ATOM 0 H THR A 32 -11.913 -2.155 -0.069 1.00 0.00 H new ATOM 0 HA THR A 32 -13.932 -3.897 -1.079 1.00 0.00 H new ATOM 0 HB THR A 32 -11.252 -3.053 -2.140 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.569 -1.235 -1.928 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.165 -3.514 -4.394 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.060 -4.977 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.632 -4.183 -3.641 1.00 0.00 H new ATOM 467 N THR A 33 -10.941 -5.170 -0.429 1.00 0.00 N ATOM 468 CA THR A 33 -10.227 -6.422 -0.164 1.00 0.00 C ATOM 469 C THR A 33 -10.876 -7.170 0.999 1.00 0.00 C ATOM 470 O THR A 33 -11.088 -8.381 0.923 1.00 0.00 O ATOM 471 CB THR A 33 -8.744 -6.155 0.127 1.00 0.00 C ATOM 472 OG1 THR A 33 -8.012 -7.369 0.164 1.00 0.00 O ATOM 473 CG2 THR A 33 -8.491 -5.428 1.433 1.00 0.00 C ATOM 0 H THR A 33 -10.370 -4.331 -0.328 1.00 0.00 H new ATOM 0 HA THR A 33 -10.290 -7.046 -1.056 1.00 0.00 H new ATOM 0 HB THR A 33 -8.413 -5.512 -0.688 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.069 -7.177 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.419 -5.278 1.564 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.993 -4.461 1.414 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.878 -6.022 2.261 1.00 0.00 H new ATOM 481 N ASN A 34 -11.225 -6.435 2.059 1.00 0.00 N ATOM 482 CA ASN A 34 -11.881 -7.020 3.216 1.00 0.00 C ATOM 483 C ASN A 34 -13.163 -7.726 2.777 1.00 0.00 C ATOM 484 O ASN A 34 -13.356 -8.915 3.045 1.00 0.00 O ATOM 485 CB ASN A 34 -12.186 -5.924 4.237 1.00 0.00 C ATOM 486 CG ASN A 34 -11.565 -6.192 5.593 1.00 0.00 C ATOM 487 OD1 ASN A 34 -12.036 -7.036 6.351 1.00 0.00 O ATOM 488 ND2 ASN A 34 -10.498 -5.470 5.907 1.00 0.00 N ATOM 0 H ASN A 34 -11.060 -5.431 2.133 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.224 -7.755 3.681 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.821 -4.970 3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.266 -5.830 4.350 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.037 -5.606 6.807 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.138 -4.779 5.249 1.00 0.00 H new ATOM 495 N ALA A 35 -14.022 -6.993 2.064 1.00 0.00 N ATOM 496 CA ALA A 35 -15.264 -7.554 1.552 1.00 0.00 C ATOM 497 C ALA A 35 -14.979 -8.651 0.535 1.00 0.00 C ATOM 498 O ALA A 35 -15.643 -9.680 0.526 1.00 0.00 O ATOM 499 CB ALA A 35 -16.135 -6.462 0.943 1.00 0.00 C ATOM 0 H ALA A 35 -13.876 -6.011 1.831 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.809 -7.998 2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -17.059 -6.901 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -16.371 -5.718 1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.599 -5.984 0.123 1.00 0.00 H new ATOM 505 N ARG A 36 -13.971 -8.438 -0.303 1.00 0.00 N ATOM 506 CA ARG A 36 -13.584 -9.417 -1.302 1.00 0.00 C ATOM 507 C ARG A 36 -13.189 -10.735 -0.640 1.00 0.00 C ATOM 508 O ARG A 36 -13.430 -11.808 -1.172 1.00 0.00 O ATOM 509 CB ARG A 36 -12.429 -8.860 -2.117 1.00 0.00 C ATOM 510 CG ARG A 36 -12.873 -7.926 -3.232 1.00 0.00 C ATOM 511 CD ARG A 36 -13.670 -8.650 -4.312 1.00 0.00 C ATOM 512 NE ARG A 36 -14.880 -7.904 -4.685 1.00 0.00 N ATOM 513 CZ ARG A 36 -15.903 -8.413 -5.368 1.00 0.00 C ATOM 514 NH1 ARG A 36 -15.864 -9.645 -5.824 1.00 0.00 N ATOM 515 NH2 ARG A 36 -16.967 -7.676 -5.616 1.00 0.00 N ATOM 0 H ARG A 36 -13.406 -7.589 -0.307 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.430 -9.617 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.750 -8.325 -1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.866 -9.688 -2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.481 -7.125 -2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.997 -7.459 -3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.044 -8.792 -5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.949 -9.642 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.940 -6.926 -4.400 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.042 -10.225 -5.656 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.656 -10.021 -6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.008 -6.712 -5.284 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.749 -8.069 -6.140 1.00 0.00 H new ATOM 529 N ILE A 37 -12.589 -10.648 0.532 1.00 0.00 N ATOM 530 CA ILE A 37 -12.188 -11.849 1.263 1.00 0.00 C ATOM 531 C ILE A 37 -13.413 -12.666 1.685 1.00 0.00 C ATOM 532 O ILE A 37 -13.414 -13.894 1.581 1.00 0.00 O ATOM 533 CB ILE A 37 -11.335 -11.503 2.504 1.00 0.00 C ATOM 534 CG1 ILE A 37 -9.990 -10.911 2.072 1.00 0.00 C ATOM 535 CG2 ILE A 37 -11.122 -12.732 3.381 1.00 0.00 C ATOM 536 CD1 ILE A 37 -8.976 -11.948 1.642 1.00 0.00 C ATOM 0 H ILE A 37 -12.367 -9.769 1.000 1.00 0.00 H new ATOM 0 HA ILE A 37 -11.578 -12.448 0.587 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.873 -10.760 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.157 -10.217 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.576 -10.332 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.519 -12.461 4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.087 -13.112 3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.608 -13.503 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.050 -11.452 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.778 -12.629 2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.368 -12.511 0.795 1.00 0.00 H new ATOM 548 N LEU A 38 -14.456 -11.975 2.144 1.00 0.00 N ATOM 549 CA LEU A 38 -15.696 -12.637 2.561 1.00 0.00 C ATOM 550 C LEU A 38 -16.688 -12.767 1.392 1.00 0.00 C ATOM 551 O LEU A 38 -17.662 -13.515 1.476 1.00 0.00 O ATOM 552 CB LEU A 38 -16.341 -11.868 3.723 1.00 0.00 C ATOM 553 CG LEU A 38 -17.036 -10.558 3.341 1.00 0.00 C ATOM 554 CD1 LEU A 38 -18.542 -10.750 3.279 1.00 0.00 C ATOM 555 CD2 LEU A 38 -16.682 -9.460 4.330 1.00 0.00 C ATOM 0 H LEU A 38 -14.469 -10.959 2.237 1.00 0.00 H new ATOM 0 HA LEU A 38 -15.442 -13.643 2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -17.070 -12.518 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.571 -11.648 4.462 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.686 -10.260 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -19.018 -9.808 3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.782 -11.507 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -18.908 -11.072 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.184 -8.536 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.004 -9.753 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.603 -9.302 4.328 1.00 0.00 H new ATOM 567 N ALA A 39 -16.430 -12.037 0.302 1.00 0.00 N ATOM 568 CA ALA A 39 -17.285 -12.064 -0.877 1.00 0.00 C ATOM 569 C ALA A 39 -16.451 -11.836 -2.139 1.00 0.00 C ATOM 570 O ALA A 39 -16.677 -10.895 -2.903 1.00 0.00 O ATOM 571 CB ALA A 39 -18.391 -11.023 -0.752 1.00 0.00 C ATOM 0 H ALA A 39 -15.626 -11.416 0.217 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.754 -13.045 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.022 -11.054 -1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.995 -11.237 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.948 -10.032 -0.656 1.00 0.00 H new ATOM 577 N ARG A 40 -15.452 -12.693 -2.313 1.00 0.00 N ATOM 578 CA ARG A 40 -14.518 -12.610 -3.438 1.00 0.00 C ATOM 579 C ARG A 40 -15.213 -12.477 -4.793 1.00 0.00 C ATOM 580 O ARG A 40 -14.678 -11.832 -5.700 1.00 0.00 O ATOM 581 CB ARG A 40 -13.578 -13.817 -3.429 1.00 0.00 C ATOM 582 CG ARG A 40 -12.160 -13.475 -3.849 1.00 0.00 C ATOM 583 CD ARG A 40 -11.222 -14.653 -3.643 1.00 0.00 C ATOM 584 NE ARG A 40 -10.869 -15.292 -4.912 1.00 0.00 N ATOM 585 CZ ARG A 40 -10.134 -14.718 -5.858 1.00 0.00 C ATOM 586 NH1 ARG A 40 -9.661 -13.499 -5.688 1.00 0.00 N ATOM 587 NH2 ARG A 40 -9.874 -15.369 -6.972 1.00 0.00 N ATOM 0 H ARG A 40 -15.263 -13.469 -1.678 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.941 -11.695 -3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.559 -14.247 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.973 -14.582 -4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.151 -13.180 -4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.805 -12.620 -3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.316 -14.313 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.694 -15.384 -2.986 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.209 -16.239 -5.081 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.859 -12.991 -4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.097 -13.064 -6.418 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.237 -16.313 -7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.310 -14.930 -7.700 1.00 0.00 H new ATOM 601 N VAL A 41 -16.393 -13.069 -4.927 1.00 0.00 N ATOM 602 CA VAL A 41 -17.150 -12.996 -6.177 1.00 0.00 C ATOM 603 C VAL A 41 -18.152 -11.833 -6.147 1.00 0.00 C ATOM 604 O VAL A 41 -17.879 -10.809 -6.815 1.00 0.00 O ATOM 605 CB VAL A 41 -17.875 -14.334 -6.488 1.00 0.00 C ATOM 606 CG1 VAL A 41 -18.651 -14.842 -5.279 1.00 0.00 C ATOM 607 CG2 VAL A 41 -18.798 -14.183 -7.690 1.00 0.00 C ATOM 608 OXT VAL A 41 -19.184 -11.941 -5.450 1.00 0.00 O ATOM 0 H VAL A 41 -16.849 -13.605 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 41 -16.434 -12.813 -6.978 1.00 0.00 H new ATOM 0 HB VAL A 41 -17.111 -15.073 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -19.146 -15.780 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -17.964 -15.007 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -19.399 -14.104 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.295 -15.133 -7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -19.546 -13.419 -7.480 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.214 -13.889 -8.562 1.00 0.00 H new TER 618 VAL A 41