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 180:sc=0.000233 USER MOD Single : A 16 GLN : amide:sc= -0.0491 K(o=-0.049,f=-2.3!) USER MOD Single : A 21 GLN : amide:sc= -0.865 X(o=-0.86,f=-0.73) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 125:sc= 0.929 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 4 13.156 -2.133 3.255 1.00 0.00 N ATOM 2 CA ILE A 4 12.117 -3.196 3.098 1.00 0.00 C ATOM 3 C ILE A 4 12.761 -4.586 3.004 1.00 0.00 C ATOM 4 O ILE A 4 12.790 -5.323 3.987 1.00 0.00 O ATOM 5 CB ILE A 4 11.228 -2.948 1.852 1.00 0.00 C ATOM 6 CG1 ILE A 4 10.480 -1.617 1.977 1.00 0.00 C ATOM 7 CG2 ILE A 4 10.236 -4.088 1.662 1.00 0.00 C ATOM 8 CD1 ILE A 4 10.928 -0.577 0.974 1.00 0.00 C ATOM 0 HA ILE A 4 11.485 -3.156 3.985 1.00 0.00 H new ATOM 0 HB ILE A 4 11.878 -2.903 0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.412 -1.796 1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.620 -1.224 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.622 -3.894 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.779 -5.024 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.596 -4.164 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.356 0.340 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 4 11.989 -0.369 1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.762 -0.951 -0.036 1.00 0.00 H new ATOM 22 N VAL A 5 13.285 -4.936 1.824 1.00 0.00 N ATOM 23 CA VAL A 5 13.937 -6.235 1.627 1.00 0.00 C ATOM 24 C VAL A 5 15.327 -6.236 2.264 1.00 0.00 C ATOM 25 O VAL A 5 15.650 -7.109 3.070 1.00 0.00 O ATOM 26 CB VAL A 5 14.060 -6.594 0.128 1.00 0.00 C ATOM 27 CG1 VAL A 5 14.599 -8.006 -0.044 1.00 0.00 C ATOM 28 CG2 VAL A 5 12.717 -6.450 -0.574 1.00 0.00 C ATOM 0 H VAL A 5 13.271 -4.341 0.995 1.00 0.00 H new ATOM 0 HA VAL A 5 13.311 -6.986 2.109 1.00 0.00 H new ATOM 0 HB VAL A 5 14.763 -5.898 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.678 -8.239 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.584 -8.078 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.922 -8.715 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 5 12.828 -6.708 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 5 11.991 -7.118 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.369 -5.421 -0.487 1.00 0.00 H new ATOM 38 N LEU A 6 16.133 -5.237 1.907 1.00 0.00 N ATOM 39 CA LEU A 6 17.480 -5.094 2.450 1.00 0.00 C ATOM 40 C LEU A 6 17.598 -3.779 3.226 1.00 0.00 C ATOM 41 O LEU A 6 17.548 -3.771 4.455 1.00 0.00 O ATOM 42 CB LEU A 6 18.519 -5.158 1.324 1.00 0.00 C ATOM 43 CG LEU A 6 19.350 -6.441 1.281 1.00 0.00 C ATOM 44 CD1 LEU A 6 19.937 -6.649 -0.105 1.00 0.00 C ATOM 45 CD2 LEU A 6 20.456 -6.394 2.323 1.00 0.00 C ATOM 0 H LEU A 6 15.873 -4.511 1.239 1.00 0.00 H new ATOM 0 HA LEU A 6 17.673 -5.918 3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.005 -5.044 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 6 19.195 -4.309 1.425 1.00 0.00 H new ATOM 0 HG LEU A 6 18.695 -7.282 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 6 20.525 -7.567 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.130 -6.725 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 6 20.577 -5.804 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 6 21.037 -7.315 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 6 21.108 -5.543 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 6 20.017 -6.290 3.315 1.00 0.00 H new ATOM 57 N SER A 7 17.747 -2.669 2.500 1.00 0.00 N ATOM 58 CA SER A 7 17.863 -1.360 3.110 1.00 0.00 C ATOM 59 C SER A 7 16.740 -0.433 2.630 1.00 0.00 C ATOM 60 O SER A 7 15.693 -0.335 3.273 1.00 0.00 O ATOM 61 CB SER A 7 19.229 -0.757 2.780 1.00 0.00 C ATOM 62 OG SER A 7 19.703 -1.214 1.522 1.00 0.00 O ATOM 0 H SER A 7 17.789 -2.661 1.481 1.00 0.00 H new ATOM 0 HA SER A 7 17.771 -1.469 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 7 19.156 0.331 2.771 1.00 0.00 H new ATOM 0 HB3 SER A 7 19.944 -1.022 3.559 1.00 0.00 H new ATOM 0 HG SER A 7 20.577 -0.811 1.336 1.00 0.00 H new ATOM 68 N LEU A 8 16.963 0.234 1.490 1.00 0.00 N ATOM 69 CA LEU A 8 15.972 1.153 0.915 1.00 0.00 C ATOM 70 C LEU A 8 15.650 2.310 1.872 1.00 0.00 C ATOM 71 O LEU A 8 14.532 2.830 1.878 1.00 0.00 O ATOM 72 CB LEU A 8 14.697 0.388 0.545 1.00 0.00 C ATOM 73 CG LEU A 8 14.865 -0.617 -0.595 1.00 0.00 C ATOM 74 CD1 LEU A 8 14.464 -2.012 -0.147 1.00 0.00 C ATOM 75 CD2 LEU A 8 14.049 -0.192 -1.805 1.00 0.00 C ATOM 0 H LEU A 8 17.823 0.154 0.947 1.00 0.00 H new ATOM 0 HA LEU A 8 16.401 1.587 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.337 -0.141 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.926 1.106 0.268 1.00 0.00 H new ATOM 0 HG LEU A 8 15.918 -0.638 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.592 -2.710 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.092 -2.320 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.420 -2.007 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.181 -0.919 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.995 -0.139 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.385 0.788 -2.145 1.00 0.00 H new ATOM 87 N ASP A 9 16.646 2.718 2.664 1.00 0.00 N ATOM 88 CA ASP A 9 16.478 3.822 3.610 1.00 0.00 C ATOM 89 C ASP A 9 16.556 5.168 2.889 1.00 0.00 C ATOM 90 O ASP A 9 15.654 5.996 3.015 1.00 0.00 O ATOM 91 CB ASP A 9 17.536 3.750 4.714 1.00 0.00 C ATOM 92 CG ASP A 9 16.998 4.208 6.053 1.00 0.00 C ATOM 93 OD1 ASP A 9 16.909 5.433 6.268 1.00 0.00 O ATOM 94 OD2 ASP A 9 16.662 3.340 6.882 1.00 0.00 O ATOM 0 H ASP A 9 17.576 2.300 2.668 1.00 0.00 H new ATOM 0 HA ASP A 9 15.492 3.731 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.898 2.726 4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.390 4.368 4.437 1.00 0.00 H new ATOM 99 N VAL A 10 17.632 5.373 2.119 1.00 0.00 N ATOM 100 CA VAL A 10 17.811 6.616 1.364 1.00 0.00 C ATOM 101 C VAL A 10 16.503 7.018 0.671 1.00 0.00 C ATOM 102 O VAL A 10 16.030 8.145 0.834 1.00 0.00 O ATOM 103 CB VAL A 10 18.942 6.496 0.315 1.00 0.00 C ATOM 104 CG1 VAL A 10 19.043 7.763 -0.521 1.00 0.00 C ATOM 105 CG2 VAL A 10 20.273 6.201 0.992 1.00 0.00 C ATOM 0 H VAL A 10 18.387 4.697 2.004 1.00 0.00 H new ATOM 0 HA VAL A 10 18.095 7.388 2.079 1.00 0.00 H new ATOM 0 HB VAL A 10 18.699 5.666 -0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.845 7.654 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.100 7.932 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.257 8.612 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.055 6.120 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.517 7.008 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 10 20.201 5.263 1.542 1.00 0.00 H new ATOM 115 N PRO A 11 15.876 6.090 -0.089 1.00 0.00 N ATOM 116 CA PRO A 11 14.608 6.356 -0.767 1.00 0.00 C ATOM 117 C PRO A 11 13.414 6.211 0.164 1.00 0.00 C ATOM 118 O PRO A 11 12.414 5.569 -0.173 1.00 0.00 O ATOM 119 CB PRO A 11 14.580 5.300 -1.862 1.00 0.00 C ATOM 120 CG PRO A 11 15.327 4.142 -1.294 1.00 0.00 C ATOM 121 CD PRO A 11 16.337 4.708 -0.328 1.00 0.00 C ATOM 0 HA PRO A 11 14.541 7.377 -1.141 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.557 5.023 -2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.050 5.665 -2.775 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.649 3.456 -0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.822 3.576 -2.083 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.368 4.133 0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.343 4.691 -0.748 1.00 0.00 H new ATOM 129 N ILE A 12 13.517 6.831 1.330 1.00 0.00 N ATOM 130 CA ILE A 12 12.449 6.787 2.304 1.00 0.00 C ATOM 131 C ILE A 12 11.202 7.480 1.761 1.00 0.00 C ATOM 132 O ILE A 12 10.082 7.148 2.143 1.00 0.00 O ATOM 133 CB ILE A 12 12.894 7.404 3.656 1.00 0.00 C ATOM 134 CG1 ILE A 12 13.234 6.284 4.650 1.00 0.00 C ATOM 135 CG2 ILE A 12 11.835 8.344 4.228 1.00 0.00 C ATOM 136 CD1 ILE A 12 12.381 6.270 5.902 1.00 0.00 C ATOM 0 H ILE A 12 14.333 7.370 1.620 1.00 0.00 H new ATOM 0 HA ILE A 12 12.202 5.742 2.491 1.00 0.00 H new ATOM 0 HB ILE A 12 13.786 8.005 3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.130 5.324 4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.280 6.379 4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.186 8.755 5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.652 9.157 3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 12 10.910 7.792 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.692 5.446 6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.502 7.213 6.436 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.334 6.141 5.628 1.00 0.00 H new ATOM 148 N GLY A 13 11.397 8.415 0.832 1.00 0.00 N ATOM 149 CA GLY A 13 10.267 9.096 0.231 1.00 0.00 C ATOM 150 C GLY A 13 9.452 8.157 -0.628 1.00 0.00 C ATOM 151 O GLY A 13 8.225 8.238 -0.661 1.00 0.00 O ATOM 0 H GLY A 13 12.311 8.710 0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.635 9.517 1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.622 9.930 -0.374 1.00 0.00 H new ATOM 155 N LEU A 14 10.144 7.238 -1.302 1.00 0.00 N ATOM 156 CA LEU A 14 9.489 6.249 -2.156 1.00 0.00 C ATOM 157 C LEU A 14 8.507 5.417 -1.344 1.00 0.00 C ATOM 158 O LEU A 14 7.426 5.072 -1.820 1.00 0.00 O ATOM 159 CB LEU A 14 10.524 5.334 -2.823 1.00 0.00 C ATOM 160 CG LEU A 14 11.739 6.037 -3.435 1.00 0.00 C ATOM 161 CD1 LEU A 14 12.460 5.108 -4.395 1.00 0.00 C ATOM 162 CD2 LEU A 14 11.326 7.314 -4.147 1.00 0.00 C ATOM 0 H LEU A 14 11.160 7.159 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 14 8.944 6.781 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.878 4.617 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.025 4.763 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 14 12.420 6.303 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.321 5.623 -4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.796 4.221 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.781 4.813 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.207 7.794 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.622 7.075 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.852 7.990 -3.436 1.00 0.00 H new ATOM 174 N LEU A 15 8.882 5.122 -0.104 1.00 0.00 N ATOM 175 CA LEU A 15 8.020 4.348 0.785 1.00 0.00 C ATOM 176 C LEU A 15 7.088 5.264 1.577 1.00 0.00 C ATOM 177 O LEU A 15 5.982 4.862 1.939 1.00 0.00 O ATOM 178 CB LEU A 15 8.846 3.455 1.722 1.00 0.00 C ATOM 179 CG LEU A 15 9.680 4.191 2.766 1.00 0.00 C ATOM 180 CD1 LEU A 15 8.909 4.332 4.067 1.00 0.00 C ATOM 181 CD2 LEU A 15 10.994 3.469 3.004 1.00 0.00 C ATOM 0 H LEU A 15 9.771 5.405 0.308 1.00 0.00 H new ATOM 0 HA LEU A 15 7.403 3.696 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.168 2.775 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.513 2.842 1.116 1.00 0.00 H new ATOM 0 HG LEU A 15 9.898 5.189 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.522 4.860 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.993 4.895 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.658 3.343 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.575 4.009 3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.795 2.458 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.557 3.421 2.072 1.00 0.00 H new ATOM 193 N GLN A 16 7.517 6.507 1.805 1.00 0.00 N ATOM 194 CA GLN A 16 6.698 7.479 2.509 1.00 0.00 C ATOM 195 C GLN A 16 5.472 7.788 1.667 1.00 0.00 C ATOM 196 O GLN A 16 4.352 7.861 2.169 1.00 0.00 O ATOM 197 CB GLN A 16 7.496 8.758 2.781 1.00 0.00 C ATOM 198 CG GLN A 16 8.499 8.619 3.916 1.00 0.00 C ATOM 199 CD GLN A 16 7.992 9.180 5.229 1.00 0.00 C ATOM 200 OE1 GLN A 16 6.864 8.919 5.636 1.00 0.00 O ATOM 201 NE2 GLN A 16 8.829 9.953 5.903 1.00 0.00 N ATOM 0 H GLN A 16 8.428 6.858 1.510 1.00 0.00 H new ATOM 0 HA GLN A 16 6.388 7.067 3.470 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.025 9.046 1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.803 9.566 3.016 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.745 7.565 4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.422 9.130 3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.758 10.145 5.530 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.544 10.356 6.796 1.00 0.00 H new ATOM 210 N ILE A 17 5.695 7.930 0.365 1.00 0.00 N ATOM 211 CA ILE A 17 4.609 8.193 -0.571 1.00 0.00 C ATOM 212 C ILE A 17 3.644 7.014 -0.610 1.00 0.00 C ATOM 213 O ILE A 17 2.423 7.199 -0.666 1.00 0.00 O ATOM 214 CB ILE A 17 5.154 8.486 -1.987 1.00 0.00 C ATOM 215 CG1 ILE A 17 5.986 9.770 -1.969 1.00 0.00 C ATOM 216 CG2 ILE A 17 4.019 8.591 -2.996 1.00 0.00 C ATOM 217 CD1 ILE A 17 6.120 10.436 -3.321 1.00 0.00 C ATOM 0 H ILE A 17 6.618 7.867 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 17 4.072 9.076 -0.225 1.00 0.00 H new ATOM 0 HB ILE A 17 5.793 7.658 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.533 10.475 -1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.981 9.540 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.429 8.798 -3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.467 7.652 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.348 9.399 -2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.723 11.339 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.602 9.751 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.131 10.699 -3.697 1.00 0.00 H new ATOM 229 N LEU A 18 4.198 5.803 -0.539 1.00 0.00 N ATOM 230 CA LEU A 18 3.390 4.587 -0.533 1.00 0.00 C ATOM 231 C LEU A 18 2.514 4.500 0.725 1.00 0.00 C ATOM 232 O LEU A 18 1.641 3.639 0.816 1.00 0.00 O ATOM 233 CB LEU A 18 4.286 3.349 -0.638 1.00 0.00 C ATOM 234 CG LEU A 18 4.912 3.112 -2.013 1.00 0.00 C ATOM 235 CD1 LEU A 18 6.103 2.173 -1.903 1.00 0.00 C ATOM 236 CD2 LEU A 18 3.881 2.550 -2.978 1.00 0.00 C ATOM 0 H LEU A 18 5.203 5.640 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 18 2.731 4.624 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.086 3.436 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.699 2.471 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 18 5.262 4.069 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.535 2.016 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.853 2.612 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.776 1.217 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.344 2.388 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.502 1.603 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.057 3.256 -3.082 1.00 0.00 H new ATOM 248 N LEU A 19 2.738 5.402 1.685 1.00 0.00 N ATOM 249 CA LEU A 19 1.944 5.426 2.914 1.00 0.00 C ATOM 250 C LEU A 19 1.323 6.809 3.148 1.00 0.00 C ATOM 251 O LEU A 19 0.615 7.019 4.139 1.00 0.00 O ATOM 252 CB LEU A 19 2.795 5.006 4.120 1.00 0.00 C ATOM 253 CG LEU A 19 4.094 5.788 4.311 1.00 0.00 C ATOM 254 CD1 LEU A 19 3.832 7.100 5.033 1.00 0.00 C ATOM 255 CD2 LEU A 19 5.111 4.957 5.074 1.00 0.00 C ATOM 0 H LEU A 19 3.459 6.121 1.634 1.00 0.00 H new ATOM 0 HA LEU A 19 1.132 4.708 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.192 5.110 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.039 3.948 4.020 1.00 0.00 H new ATOM 0 HG LEU A 19 4.502 6.014 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.770 7.640 5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.140 7.706 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.397 6.896 6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.029 5.531 5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.708 4.698 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.327 4.045 4.517 1.00 0.00 H new ATOM 267 N GLU A 20 1.588 7.745 2.230 1.00 0.00 N ATOM 268 CA GLU A 20 1.063 9.097 2.321 1.00 0.00 C ATOM 269 C GLU A 20 -0.061 9.311 1.317 1.00 0.00 C ATOM 270 O GLU A 20 -1.174 9.688 1.687 1.00 0.00 O ATOM 271 CB GLU A 20 2.188 10.103 2.077 1.00 0.00 C ATOM 272 CG GLU A 20 3.008 10.411 3.320 1.00 0.00 C ATOM 273 CD GLU A 20 3.028 11.885 3.669 1.00 0.00 C ATOM 274 OE1 GLU A 20 1.951 12.435 3.980 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.122 12.487 3.637 1.00 0.00 O ATOM 0 H GLU A 20 2.171 7.580 1.409 1.00 0.00 H new ATOM 0 HA GLU A 20 0.656 9.246 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.849 9.715 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.759 11.030 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.604 9.850 4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.031 10.066 3.168 1.00 0.00 H new ATOM 282 N GLN A 21 0.225 9.044 0.044 1.00 0.00 N ATOM 283 CA GLN A 21 -0.782 9.194 -1.006 1.00 0.00 C ATOM 284 C GLN A 21 -1.486 7.873 -1.285 1.00 0.00 C ATOM 285 O GLN A 21 -2.441 7.814 -2.065 1.00 0.00 O ATOM 286 CB GLN A 21 -0.155 9.756 -2.286 1.00 0.00 C ATOM 287 CG GLN A 21 0.897 8.846 -2.903 1.00 0.00 C ATOM 288 CD GLN A 21 1.214 9.200 -4.341 1.00 0.00 C ATOM 289 OE1 GLN A 21 0.924 8.437 -5.258 1.00 0.00 O ATOM 290 NE2 GLN A 21 1.816 10.360 -4.550 1.00 0.00 N ATOM 0 H GLN A 21 1.137 8.726 -0.284 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.530 9.904 -0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.943 9.934 -3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.298 10.722 -2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.810 8.902 -2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.549 7.814 -2.857 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.041 10.967 -3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.055 10.647 -5.499 1.00 0.00 H new ATOM 299 N ALA A 22 -1.035 6.825 -0.608 1.00 0.00 N ATOM 300 CA ALA A 22 -1.641 5.514 -0.743 1.00 0.00 C ATOM 301 C ALA A 22 -2.762 5.347 0.281 1.00 0.00 C ATOM 302 O ALA A 22 -3.567 4.427 0.177 1.00 0.00 O ATOM 303 CB ALA A 22 -0.593 4.424 -0.586 1.00 0.00 C ATOM 0 H ALA A 22 -0.249 6.861 0.041 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.071 5.425 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.065 3.447 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.172 4.541 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.133 4.501 0.399 1.00 0.00 H new ATOM 309 N ARG A 23 -2.824 6.257 1.262 1.00 0.00 N ATOM 310 CA ARG A 23 -3.867 6.206 2.284 1.00 0.00 C ATOM 311 C ARG A 23 -5.246 6.258 1.636 1.00 0.00 C ATOM 312 O ARG A 23 -6.006 5.296 1.699 1.00 0.00 O ATOM 313 CB ARG A 23 -3.696 7.356 3.284 1.00 0.00 C ATOM 314 CG ARG A 23 -3.377 6.886 4.689 1.00 0.00 C ATOM 315 CD ARG A 23 -2.222 5.900 4.693 1.00 0.00 C ATOM 316 NE ARG A 23 -1.270 6.184 5.766 1.00 0.00 N ATOM 317 CZ ARG A 23 -1.455 5.848 7.038 1.00 0.00 C ATOM 318 NH1 ARG A 23 -2.551 5.211 7.413 1.00 0.00 N ATOM 319 NH2 ARG A 23 -0.542 6.152 7.937 1.00 0.00 N ATOM 0 H ARG A 23 -2.167 7.031 1.366 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.776 5.265 2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.898 8.013 2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.611 7.949 3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.128 7.744 5.314 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.259 6.418 5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.609 4.887 4.809 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.709 5.937 3.732 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.408 6.672 5.522 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.264 4.973 6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.684 4.957 8.392 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.306 6.645 7.656 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.683 5.895 8.914 1.00 0.00 H new ATOM 333 N ALA A 24 -5.548 7.379 0.985 1.00 0.00 N ATOM 334 CA ALA A 24 -6.828 7.544 0.296 1.00 0.00 C ATOM 335 C ALA A 24 -6.967 6.567 -0.873 1.00 0.00 C ATOM 336 O ALA A 24 -8.069 6.354 -1.387 1.00 0.00 O ATOM 337 CB ALA A 24 -6.996 8.984 -0.173 1.00 0.00 C ATOM 0 H ALA A 24 -4.927 8.185 0.919 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.623 7.315 1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.953 9.091 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.967 9.653 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.188 9.240 -0.859 1.00 0.00 H new ATOM 343 N ARG A 25 -5.850 5.962 -1.275 1.00 0.00 N ATOM 344 CA ARG A 25 -5.840 4.994 -2.355 1.00 0.00 C ATOM 345 C ARG A 25 -6.174 3.609 -1.812 1.00 0.00 C ATOM 346 O ARG A 25 -7.073 2.935 -2.307 1.00 0.00 O ATOM 347 CB ARG A 25 -4.466 5.002 -3.024 1.00 0.00 C ATOM 348 CG ARG A 25 -4.489 5.474 -4.467 1.00 0.00 C ATOM 349 CD ARG A 25 -4.324 6.982 -4.551 1.00 0.00 C ATOM 350 NE ARG A 25 -5.443 7.686 -3.910 1.00 0.00 N ATOM 351 CZ ARG A 25 -6.331 8.446 -4.548 1.00 0.00 C ATOM 352 NH1 ARG A 25 -6.254 8.634 -5.853 1.00 0.00 N ATOM 353 NH2 ARG A 25 -7.302 9.024 -3.870 1.00 0.00 N ATOM 0 H ARG A 25 -4.934 6.132 -0.859 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.593 5.258 -3.097 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.798 5.645 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.049 3.996 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.690 4.986 -5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.429 5.181 -4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.389 7.273 -4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.255 7.283 -5.596 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.548 7.585 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.506 8.194 -6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.943 9.219 -6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.371 8.888 -2.861 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.985 9.607 -4.354 1.00 0.00 H new ATOM 367 N ALA A 26 -5.463 3.214 -0.768 1.00 0.00 N ATOM 368 CA ALA A 26 -5.690 1.932 -0.118 1.00 0.00 C ATOM 369 C ALA A 26 -6.959 1.967 0.732 1.00 0.00 C ATOM 370 O ALA A 26 -7.514 0.922 1.060 1.00 0.00 O ATOM 371 CB ALA A 26 -4.485 1.549 0.731 1.00 0.00 C ATOM 0 H ALA A 26 -4.717 3.769 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.825 1.176 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.669 0.588 1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.602 1.474 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.321 2.310 1.494 1.00 0.00 H new ATOM 377 N ALA A 27 -7.432 3.169 1.078 1.00 0.00 N ATOM 378 CA ALA A 27 -8.641 3.303 1.873 1.00 0.00 C ATOM 379 C ALA A 27 -9.839 2.732 1.132 1.00 0.00 C ATOM 380 O ALA A 27 -10.725 2.136 1.742 1.00 0.00 O ATOM 381 CB ALA A 27 -8.876 4.756 2.262 1.00 0.00 C ATOM 0 H ALA A 27 -6.994 4.053 0.819 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.511 2.730 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.787 4.831 2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.030 5.117 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.980 5.361 1.362 1.00 0.00 H new ATOM 387 N ARG A 28 -9.845 2.881 -0.189 1.00 0.00 N ATOM 388 CA ARG A 28 -10.932 2.334 -0.998 1.00 0.00 C ATOM 389 C ARG A 28 -10.720 0.845 -1.244 1.00 0.00 C ATOM 390 O ARG A 28 -11.651 0.119 -1.599 1.00 0.00 O ATOM 391 CB ARG A 28 -11.026 3.054 -2.338 1.00 0.00 C ATOM 392 CG ARG A 28 -9.862 2.744 -3.264 1.00 0.00 C ATOM 393 CD ARG A 28 -9.525 3.926 -4.143 1.00 0.00 C ATOM 394 NE ARG A 28 -9.439 5.145 -3.349 1.00 0.00 N ATOM 395 CZ ARG A 28 -10.165 6.235 -3.548 1.00 0.00 C ATOM 396 NH1 ARG A 28 -11.011 6.321 -4.560 1.00 0.00 N ATOM 397 NH2 ARG A 28 -10.039 7.247 -2.721 1.00 0.00 N ATOM 0 H ARG A 28 -9.121 3.368 -0.717 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.861 2.481 -0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.958 2.774 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.068 4.129 -2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.989 2.468 -2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.110 1.885 -3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.578 3.749 -4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.286 4.041 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.768 5.160 -2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.114 5.539 -5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.560 7.170 -4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.388 7.188 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.592 8.093 -2.862 1.00 0.00 H new ATOM 411 N GLU A 29 -9.485 0.400 -1.057 1.00 0.00 N ATOM 412 CA GLU A 29 -9.133 -0.994 -1.266 1.00 0.00 C ATOM 413 C GLU A 29 -9.234 -1.787 0.025 1.00 0.00 C ATOM 414 O GLU A 29 -9.703 -2.919 0.025 1.00 0.00 O ATOM 415 CB GLU A 29 -7.726 -1.090 -1.846 1.00 0.00 C ATOM 416 CG GLU A 29 -7.713 -1.262 -3.356 1.00 0.00 C ATOM 417 CD GLU A 29 -6.856 -2.425 -3.806 1.00 0.00 C ATOM 418 OE1 GLU A 29 -5.634 -2.233 -3.974 1.00 0.00 O ATOM 419 OE2 GLU A 29 -7.410 -3.529 -3.990 1.00 0.00 O ATOM 0 H GLU A 29 -8.708 0.989 -0.759 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.841 -1.426 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.170 -0.190 -1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.207 -1.931 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.733 -1.411 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.346 -0.346 -3.818 1.00 0.00 H new ATOM 426 N GLN A 30 -8.805 -1.179 1.124 1.00 0.00 N ATOM 427 CA GLN A 30 -8.854 -1.819 2.432 1.00 0.00 C ATOM 428 C GLN A 30 -10.248 -2.366 2.723 1.00 0.00 C ATOM 429 O GLN A 30 -10.393 -3.434 3.318 1.00 0.00 O ATOM 430 CB GLN A 30 -8.436 -0.825 3.511 1.00 0.00 C ATOM 431 CG GLN A 30 -7.018 -1.044 4.006 1.00 0.00 C ATOM 432 CD GLN A 30 -6.933 -1.066 5.513 1.00 0.00 C ATOM 433 OE1 GLN A 30 -6.636 -2.092 6.117 1.00 0.00 O ATOM 434 NE2 GLN A 30 -7.193 0.073 6.131 1.00 0.00 N ATOM 0 H GLN A 30 -8.416 -0.236 1.134 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.159 -2.659 2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.525 0.188 3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.124 -0.901 4.353 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.639 -1.986 3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.375 -0.253 3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.436 0.903 5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.151 0.122 7.149 1.00 0.00 H new ATOM 443 N ALA A 31 -11.263 -1.633 2.281 1.00 0.00 N ATOM 444 CA ALA A 31 -12.653 -2.045 2.471 1.00 0.00 C ATOM 445 C ALA A 31 -13.100 -2.993 1.359 1.00 0.00 C ATOM 446 O ALA A 31 -13.853 -3.940 1.594 1.00 0.00 O ATOM 447 CB ALA A 31 -13.563 -0.826 2.541 1.00 0.00 C ATOM 0 H ALA A 31 -11.151 -0.748 1.787 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.724 -2.583 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.594 -1.149 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.262 -0.195 3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.485 -0.260 1.613 1.00 0.00 H new ATOM 453 N THR A 32 -12.611 -2.731 0.153 1.00 0.00 N ATOM 454 CA THR A 32 -12.932 -3.550 -1.017 1.00 0.00 C ATOM 455 C THR A 32 -12.244 -4.907 -0.926 1.00 0.00 C ATOM 456 O THR A 32 -12.876 -5.947 -1.116 1.00 0.00 O ATOM 457 CB THR A 32 -12.511 -2.829 -2.303 1.00 0.00 C ATOM 458 OG1 THR A 32 -13.126 -1.556 -2.389 1.00 0.00 O ATOM 459 CG2 THR A 32 -12.868 -3.585 -3.563 1.00 0.00 C ATOM 0 H THR A 32 -11.984 -1.951 -0.045 1.00 0.00 H new ATOM 0 HA THR A 32 -14.010 -3.709 -1.040 1.00 0.00 H new ATOM 0 HB THR A 32 -11.426 -2.747 -2.240 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.438 -0.867 -2.500 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.541 -3.016 -4.433 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.373 -4.556 -3.557 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.948 -3.728 -3.608 1.00 0.00 H new ATOM 467 N THR A 33 -10.949 -4.892 -0.618 1.00 0.00 N ATOM 468 CA THR A 33 -10.178 -6.127 -0.486 1.00 0.00 C ATOM 469 C THR A 33 -10.712 -6.969 0.666 1.00 0.00 C ATOM 470 O THR A 33 -10.863 -8.180 0.532 1.00 0.00 O ATOM 471 CB THR A 33 -8.685 -5.830 -0.291 1.00 0.00 C ATOM 472 OG1 THR A 33 -7.916 -7.000 -0.501 1.00 0.00 O ATOM 473 CG2 THR A 33 -8.331 -5.301 1.084 1.00 0.00 C ATOM 0 H THR A 33 -10.412 -4.040 -0.455 1.00 0.00 H new ATOM 0 HA THR A 33 -10.289 -6.693 -1.411 1.00 0.00 H new ATOM 0 HB THR A 33 -8.458 -5.054 -1.022 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.966 -6.794 -0.375 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.258 -5.117 1.138 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.868 -4.370 1.265 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.612 -6.035 1.840 1.00 0.00 H new ATOM 481 N ASN A 34 -11.033 -6.322 1.791 1.00 0.00 N ATOM 482 CA ASN A 34 -11.581 -7.023 2.943 1.00 0.00 C ATOM 483 C ASN A 34 -12.817 -7.812 2.519 1.00 0.00 C ATOM 484 O ASN A 34 -12.910 -9.020 2.757 1.00 0.00 O ATOM 485 CB ASN A 34 -11.933 -6.019 4.040 1.00 0.00 C ATOM 486 CG ASN A 34 -11.322 -6.379 5.377 1.00 0.00 C ATOM 487 OD1 ASN A 34 -11.715 -7.356 6.009 1.00 0.00 O ATOM 488 ND2 ASN A 34 -10.350 -5.592 5.813 1.00 0.00 N ATOM 0 H ASN A 34 -10.921 -5.317 1.923 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.839 -7.718 3.336 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.590 -5.028 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.017 -5.964 4.143 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.897 -5.788 6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.054 -4.790 5.256 1.00 0.00 H new ATOM 495 N ALA A 35 -13.747 -7.123 1.855 1.00 0.00 N ATOM 496 CA ALA A 35 -14.956 -7.758 1.362 1.00 0.00 C ATOM 497 C ALA A 35 -14.610 -8.799 0.309 1.00 0.00 C ATOM 498 O ALA A 35 -15.149 -9.897 0.318 1.00 0.00 O ATOM 499 CB ALA A 35 -15.926 -6.720 0.814 1.00 0.00 C ATOM 0 H ALA A 35 -13.680 -6.126 1.650 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.449 -8.264 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -16.825 -7.218 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -16.194 -6.020 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.454 -6.178 -0.006 1.00 0.00 H new ATOM 505 N ARG A 36 -13.684 -8.457 -0.578 1.00 0.00 N ATOM 506 CA ARG A 36 -13.240 -9.373 -1.613 1.00 0.00 C ATOM 507 C ARG A 36 -12.591 -10.610 -0.994 1.00 0.00 C ATOM 508 O ARG A 36 -12.710 -11.716 -1.511 1.00 0.00 O ATOM 509 CB ARG A 36 -12.247 -8.656 -2.519 1.00 0.00 C ATOM 510 CG ARG A 36 -12.900 -7.831 -3.617 1.00 0.00 C ATOM 511 CD ARG A 36 -13.146 -8.659 -4.866 1.00 0.00 C ATOM 512 NE ARG A 36 -11.892 -8.968 -5.558 1.00 0.00 N ATOM 513 CZ ARG A 36 -11.344 -8.209 -6.501 1.00 0.00 C ATOM 514 NH1 ARG A 36 -11.913 -7.077 -6.873 1.00 0.00 N ATOM 515 NH2 ARG A 36 -10.212 -8.581 -7.065 1.00 0.00 N ATOM 0 H ARG A 36 -13.226 -7.546 -0.598 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.100 -9.699 -2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.621 -8.003 -1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.588 -9.394 -2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.845 -7.427 -3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.263 -6.981 -3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.652 -9.586 -4.596 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.811 -8.117 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.406 -9.826 -5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.784 -6.776 -6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.482 -6.504 -7.598 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.760 -9.449 -6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.788 -8.001 -7.789 1.00 0.00 H new ATOM 529 N ILE A 37 -11.907 -10.415 0.122 1.00 0.00 N ATOM 530 CA ILE A 37 -11.252 -11.518 0.816 1.00 0.00 C ATOM 531 C ILE A 37 -12.289 -12.466 1.419 1.00 0.00 C ATOM 532 O ILE A 37 -12.137 -13.686 1.353 1.00 0.00 O ATOM 533 CB ILE A 37 -10.304 -11.003 1.922 1.00 0.00 C ATOM 534 CG1 ILE A 37 -9.096 -10.297 1.298 1.00 0.00 C ATOM 535 CG2 ILE A 37 -9.850 -12.143 2.827 1.00 0.00 C ATOM 536 CD1 ILE A 37 -7.989 -11.236 0.875 1.00 0.00 C ATOM 0 H ILE A 37 -11.790 -9.505 0.568 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.657 -12.061 0.082 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.851 -10.286 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.428 -9.728 0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.697 -9.580 2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.184 -11.753 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -10.719 -12.602 3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -9.322 -12.890 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.170 -10.661 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.627 -11.787 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.371 -11.938 0.133 1.00 0.00 H new ATOM 548 N LEU A 38 -13.345 -11.894 1.993 1.00 0.00 N ATOM 549 CA LEU A 38 -14.416 -12.688 2.595 1.00 0.00 C ATOM 550 C LEU A 38 -15.531 -13.009 1.584 1.00 0.00 C ATOM 551 O LEU A 38 -16.403 -13.831 1.864 1.00 0.00 O ATOM 552 CB LEU A 38 -14.998 -11.957 3.813 1.00 0.00 C ATOM 553 CG LEU A 38 -15.942 -10.793 3.498 1.00 0.00 C ATOM 554 CD1 LEU A 38 -17.390 -11.218 3.679 1.00 0.00 C ATOM 555 CD2 LEU A 38 -15.628 -9.597 4.380 1.00 0.00 C ATOM 0 H LEU A 38 -13.483 -10.885 2.054 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.982 -13.635 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.535 -12.681 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.172 -11.579 4.416 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.793 -10.503 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.047 -10.379 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.613 -12.046 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.550 -11.534 4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -16.309 -8.780 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.748 -9.876 5.427 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.601 -9.276 4.205 1.00 0.00 H new ATOM 567 N ALA A 39 -15.500 -12.360 0.413 1.00 0.00 N ATOM 568 CA ALA A 39 -16.505 -12.577 -0.621 1.00 0.00 C ATOM 569 C ALA A 39 -15.960 -12.193 -2.000 1.00 0.00 C ATOM 570 O ALA A 39 -16.507 -11.330 -2.689 1.00 0.00 O ATOM 571 CB ALA A 39 -17.772 -11.794 -0.294 1.00 0.00 C ATOM 0 H ALA A 39 -14.784 -11.678 0.163 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.754 -13.638 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.516 -11.963 -1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.168 -12.127 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.539 -10.731 -0.240 1.00 0.00 H new ATOM 577 N ARG A 40 -14.856 -12.833 -2.377 1.00 0.00 N ATOM 578 CA ARG A 40 -14.188 -12.571 -3.654 1.00 0.00 C ATOM 579 C ARG A 40 -15.127 -12.723 -4.854 1.00 0.00 C ATOM 580 O ARG A 40 -14.960 -12.045 -5.870 1.00 0.00 O ATOM 581 CB ARG A 40 -12.978 -13.500 -3.806 1.00 0.00 C ATOM 582 CG ARG A 40 -11.763 -12.828 -4.428 1.00 0.00 C ATOM 583 CD ARG A 40 -10.568 -12.858 -3.486 1.00 0.00 C ATOM 584 NE ARG A 40 -10.120 -14.229 -3.212 1.00 0.00 N ATOM 585 CZ ARG A 40 -9.175 -14.549 -2.335 1.00 0.00 C ATOM 586 NH1 ARG A 40 -8.565 -13.611 -1.637 1.00 0.00 N ATOM 587 NH2 ARG A 40 -8.842 -15.813 -2.158 1.00 0.00 N ATOM 0 H ARG A 40 -14.398 -13.546 -1.809 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.859 -11.532 -3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.704 -13.889 -2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.263 -14.355 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.506 -13.330 -5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.005 -11.795 -4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.747 -12.289 -3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.832 -12.369 -2.549 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.564 -14.987 -3.730 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.818 -12.632 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.840 -13.865 -0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.310 -16.544 -2.694 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.116 -16.060 -1.485 1.00 0.00 H new ATOM 601 N VAL A 41 -16.104 -13.615 -4.731 1.00 0.00 N ATOM 602 CA VAL A 41 -17.069 -13.862 -5.800 1.00 0.00 C ATOM 603 C VAL A 41 -18.492 -13.983 -5.244 1.00 0.00 C ATOM 604 O VAL A 41 -18.644 -14.464 -4.099 1.00 0.00 O ATOM 605 CB VAL A 41 -16.705 -15.139 -6.595 1.00 0.00 C ATOM 606 CG1 VAL A 41 -16.662 -16.356 -5.683 1.00 0.00 C ATOM 607 CG2 VAL A 41 -17.682 -15.364 -7.741 1.00 0.00 C ATOM 608 OXT VAL A 41 -19.441 -13.587 -5.956 1.00 0.00 O ATOM 0 H VAL A 41 -16.250 -14.183 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 41 -17.031 -13.007 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.711 -14.995 -7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -16.404 -17.239 -6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.912 -16.203 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.639 -16.499 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.404 -16.267 -8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.690 -15.476 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -17.652 -14.510 -8.418 1.00 0.00 H new TER 618 VAL A 41