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= 0.617 USER MOD Single : A 16 GLN : amide:sc=-0.00545 K(o=-0.0054,f=-0.52) USER MOD Single : A 21 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.53) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 100:sc= 0.852 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 15.580 -5.935 4.511 1.00 0.00 N ATOM 2 CA ILE A 4 15.327 -7.156 3.691 1.00 0.00 C ATOM 3 C ILE A 4 16.465 -7.404 2.696 1.00 0.00 C ATOM 4 O ILE A 4 17.198 -8.382 2.821 1.00 0.00 O ATOM 5 CB ILE A 4 13.986 -7.055 2.921 1.00 0.00 C ATOM 6 CG1 ILE A 4 12.818 -6.887 3.895 1.00 0.00 C ATOM 7 CG2 ILE A 4 13.771 -8.288 2.053 1.00 0.00 C ATOM 8 CD1 ILE A 4 12.361 -5.453 4.056 1.00 0.00 C ATOM 0 HA ILE A 4 15.272 -7.995 4.385 1.00 0.00 H new ATOM 0 HB ILE A 4 14.031 -6.178 2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 4 11.978 -7.490 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 4 13.110 -7.277 4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 4 12.824 -8.198 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 4 14.585 -8.373 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 4 13.750 -9.177 2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.531 -5.413 4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 4 13.186 -4.848 4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 4 12.037 -5.064 3.091 1.00 0.00 H new ATOM 22 N VAL A 5 16.610 -6.512 1.710 1.00 0.00 N ATOM 23 CA VAL A 5 17.663 -6.648 0.702 1.00 0.00 C ATOM 24 C VAL A 5 18.931 -5.894 1.118 1.00 0.00 C ATOM 25 O VAL A 5 19.955 -6.511 1.408 1.00 0.00 O ATOM 26 CB VAL A 5 17.197 -6.146 -0.685 1.00 0.00 C ATOM 27 CG1 VAL A 5 18.192 -6.549 -1.763 1.00 0.00 C ATOM 28 CG2 VAL A 5 15.811 -6.681 -1.016 1.00 0.00 C ATOM 0 H VAL A 5 16.014 -5.693 1.590 1.00 0.00 H new ATOM 0 HA VAL A 5 17.889 -7.712 0.628 1.00 0.00 H new ATOM 0 HB VAL A 5 17.145 -5.058 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 5 17.846 -6.187 -2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 5 19.166 -6.114 -1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.277 -7.635 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.504 -6.315 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.835 -7.771 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.100 -6.341 -0.263 1.00 0.00 H new ATOM 38 N LEU A 6 18.859 -4.562 1.145 1.00 0.00 N ATOM 39 CA LEU A 6 20.006 -3.742 1.523 1.00 0.00 C ATOM 40 C LEU A 6 19.642 -2.758 2.644 1.00 0.00 C ATOM 41 O LEU A 6 19.804 -3.071 3.823 1.00 0.00 O ATOM 42 CB LEU A 6 20.538 -2.998 0.294 1.00 0.00 C ATOM 43 CG LEU A 6 21.852 -3.537 -0.269 1.00 0.00 C ATOM 44 CD1 LEU A 6 22.102 -2.980 -1.661 1.00 0.00 C ATOM 45 CD2 LEU A 6 23.008 -3.196 0.655 1.00 0.00 C ATOM 0 H LEU A 6 18.020 -4.032 0.910 1.00 0.00 H new ATOM 0 HA LEU A 6 20.789 -4.396 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 6 19.782 -3.035 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 6 20.675 -1.949 0.555 1.00 0.00 H new ATOM 0 HG LEU A 6 21.777 -4.622 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 6 23.042 -3.374 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 6 21.287 -3.273 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 6 22.157 -1.892 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 6 23.935 -3.588 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 6 23.085 -2.114 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 6 22.834 -3.641 1.635 1.00 0.00 H new ATOM 57 N SER A 7 19.152 -1.573 2.272 1.00 0.00 N ATOM 58 CA SER A 7 18.774 -0.554 3.241 1.00 0.00 C ATOM 59 C SER A 7 17.404 0.040 2.919 1.00 0.00 C ATOM 60 O SER A 7 16.431 -0.211 3.629 1.00 0.00 O ATOM 61 CB SER A 7 19.830 0.554 3.271 1.00 0.00 C ATOM 62 OG SER A 7 19.274 1.792 3.701 1.00 0.00 O ATOM 0 H SER A 7 19.009 -1.299 1.300 1.00 0.00 H new ATOM 0 HA SER A 7 18.714 -1.026 4.221 1.00 0.00 H new ATOM 0 HB2 SER A 7 20.642 0.267 3.939 1.00 0.00 H new ATOM 0 HB3 SER A 7 20.262 0.673 2.277 1.00 0.00 H new ATOM 0 HG SER A 7 19.973 2.479 3.711 1.00 0.00 H new ATOM 68 N LEU A 8 17.350 0.841 1.852 1.00 0.00 N ATOM 69 CA LEU A 8 16.114 1.501 1.427 1.00 0.00 C ATOM 70 C LEU A 8 15.700 2.606 2.410 1.00 0.00 C ATOM 71 O LEU A 8 14.575 3.103 2.351 1.00 0.00 O ATOM 72 CB LEU A 8 14.981 0.479 1.260 1.00 0.00 C ATOM 73 CG LEU A 8 15.242 -0.618 0.224 1.00 0.00 C ATOM 74 CD1 LEU A 8 14.437 -1.862 0.553 1.00 0.00 C ATOM 75 CD2 LEU A 8 14.908 -0.123 -1.174 1.00 0.00 C ATOM 0 H LEU A 8 18.156 1.049 1.262 1.00 0.00 H new ATOM 0 HA LEU A 8 16.306 1.968 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.792 0.008 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.071 1.011 0.982 1.00 0.00 H new ATOM 0 HG LEU A 8 16.301 -0.874 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.635 -2.631 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.723 -2.230 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.374 -1.619 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.100 -0.916 -1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.857 0.161 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.528 0.742 -1.412 1.00 0.00 H new ATOM 87 N ASP A 9 16.623 3.006 3.292 1.00 0.00 N ATOM 88 CA ASP A 9 16.350 4.067 4.261 1.00 0.00 C ATOM 89 C ASP A 9 16.460 5.436 3.594 1.00 0.00 C ATOM 90 O ASP A 9 15.554 6.260 3.703 1.00 0.00 O ATOM 91 CB ASP A 9 17.311 3.979 5.449 1.00 0.00 C ATOM 92 CG ASP A 9 16.620 4.240 6.770 1.00 0.00 C ATOM 93 OD1 ASP A 9 16.402 5.424 7.102 1.00 0.00 O ATOM 94 OD2 ASP A 9 16.296 3.260 7.468 1.00 0.00 O ATOM 0 H ASP A 9 17.561 2.611 3.353 1.00 0.00 H new ATOM 0 HA ASP A 9 15.333 3.937 4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.768 2.990 5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.117 4.700 5.315 1.00 0.00 H new ATOM 99 N VAL A 10 17.574 5.664 2.887 1.00 0.00 N ATOM 100 CA VAL A 10 17.794 6.930 2.182 1.00 0.00 C ATOM 101 C VAL A 10 16.520 7.365 1.449 1.00 0.00 C ATOM 102 O VAL A 10 16.027 8.475 1.656 1.00 0.00 O ATOM 103 CB VAL A 10 18.972 6.831 1.183 1.00 0.00 C ATOM 104 CG1 VAL A 10 18.980 8.016 0.228 1.00 0.00 C ATOM 105 CG2 VAL A 10 20.296 6.743 1.928 1.00 0.00 C ATOM 0 H VAL A 10 18.333 4.990 2.789 1.00 0.00 H new ATOM 0 HA VAL A 10 18.050 7.680 2.930 1.00 0.00 H new ATOM 0 HB VAL A 10 18.840 5.922 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.818 7.921 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.047 8.036 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.081 8.941 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.113 6.674 1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.427 7.633 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 10 20.297 5.859 2.565 1.00 0.00 H new ATOM 115 N PRO A 11 15.941 6.481 0.603 1.00 0.00 N ATOM 116 CA PRO A 11 14.707 6.783 -0.119 1.00 0.00 C ATOM 117 C PRO A 11 13.470 6.581 0.742 1.00 0.00 C ATOM 118 O PRO A 11 12.502 5.932 0.332 1.00 0.00 O ATOM 119 CB PRO A 11 14.736 5.795 -1.277 1.00 0.00 C ATOM 120 CG PRO A 11 15.476 4.612 -0.753 1.00 0.00 C ATOM 121 CD PRO A 11 16.425 5.120 0.304 1.00 0.00 C ATOM 0 HA PRO A 11 14.654 7.825 -0.435 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.728 5.524 -1.590 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.236 6.220 -2.147 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.786 3.880 -0.333 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.022 4.112 -1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.408 4.488 1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.453 5.134 -0.058 1.00 0.00 H new ATOM 129 N ILE A 12 13.501 7.163 1.932 1.00 0.00 N ATOM 130 CA ILE A 12 12.388 7.067 2.850 1.00 0.00 C ATOM 131 C ILE A 12 11.144 7.717 2.250 1.00 0.00 C ATOM 132 O ILE A 12 10.020 7.318 2.548 1.00 0.00 O ATOM 133 CB ILE A 12 12.738 7.690 4.225 1.00 0.00 C ATOM 134 CG1 ILE A 12 13.096 6.578 5.220 1.00 0.00 C ATOM 135 CG2 ILE A 12 11.605 8.565 4.761 1.00 0.00 C ATOM 136 CD1 ILE A 12 12.116 6.416 6.364 1.00 0.00 C ATOM 0 H ILE A 12 14.290 7.707 2.280 1.00 0.00 H new ATOM 0 HA ILE A 12 12.175 6.011 3.016 1.00 0.00 H new ATOM 0 HB ILE A 12 13.601 8.342 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.164 5.633 4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.085 6.781 5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.893 8.982 5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.409 9.376 4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 12 10.705 7.962 4.880 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.448 5.609 7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.064 7.344 6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.129 6.179 5.967 1.00 0.00 H new ATOM 148 N GLY A 13 11.351 8.692 1.369 1.00 0.00 N ATOM 149 CA GLY A 13 10.230 9.341 0.719 1.00 0.00 C ATOM 150 C GLY A 13 9.586 8.432 -0.301 1.00 0.00 C ATOM 151 O GLY A 13 8.363 8.377 -0.409 1.00 0.00 O ATOM 0 H GLY A 13 12.270 9.041 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.492 9.633 1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.569 10.255 0.232 1.00 0.00 H new ATOM 155 N LEU A 14 10.419 7.686 -1.029 1.00 0.00 N ATOM 156 CA LEU A 14 9.927 6.744 -2.034 1.00 0.00 C ATOM 157 C LEU A 14 9.007 5.718 -1.383 1.00 0.00 C ATOM 158 O LEU A 14 7.985 5.331 -1.950 1.00 0.00 O ATOM 159 CB LEU A 14 11.092 6.031 -2.738 1.00 0.00 C ATOM 160 CG LEU A 14 12.306 6.903 -3.077 1.00 0.00 C ATOM 161 CD1 LEU A 14 13.221 6.181 -4.051 1.00 0.00 C ATOM 162 CD2 LEU A 14 11.873 8.240 -3.655 1.00 0.00 C ATOM 0 H LEU A 14 11.435 7.716 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 14 9.368 7.306 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.425 5.209 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.717 5.590 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 14 12.853 7.093 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 14 14.078 6.813 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.567 5.250 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.675 5.961 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.754 8.839 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.298 8.074 -4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.256 8.768 -2.928 1.00 0.00 H new ATOM 174 N LEU A 15 9.372 5.302 -0.174 1.00 0.00 N ATOM 175 CA LEU A 15 8.574 4.332 0.573 1.00 0.00 C ATOM 176 C LEU A 15 7.454 5.024 1.353 1.00 0.00 C ATOM 177 O LEU A 15 6.397 4.436 1.579 1.00 0.00 O ATOM 178 CB LEU A 15 9.455 3.495 1.511 1.00 0.00 C ATOM 179 CG LEU A 15 10.197 4.281 2.589 1.00 0.00 C ATOM 180 CD1 LEU A 15 9.366 4.369 3.858 1.00 0.00 C ATOM 181 CD2 LEU A 15 11.546 3.643 2.880 1.00 0.00 C ATOM 0 H LEU A 15 10.212 5.619 0.309 1.00 0.00 H new ATOM 0 HA LEU A 15 8.115 3.656 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.829 2.746 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.187 2.956 0.909 1.00 0.00 H new ATOM 0 HG LEU A 15 10.365 5.292 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.913 4.933 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.424 4.872 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.164 3.365 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.061 4.216 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.398 2.620 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.148 3.634 1.971 1.00 0.00 H new ATOM 193 N GLN A 16 7.675 6.286 1.735 1.00 0.00 N ATOM 194 CA GLN A 16 6.674 7.056 2.453 1.00 0.00 C ATOM 195 C GLN A 16 5.479 7.296 1.543 1.00 0.00 C ATOM 196 O GLN A 16 4.328 7.218 1.966 1.00 0.00 O ATOM 197 CB GLN A 16 7.261 8.389 2.931 1.00 0.00 C ATOM 198 CG GLN A 16 8.088 8.266 4.204 1.00 0.00 C ATOM 199 CD GLN A 16 7.306 8.574 5.467 1.00 0.00 C ATOM 200 OE1 GLN A 16 6.125 8.252 5.579 1.00 0.00 O ATOM 201 NE2 GLN A 16 7.970 9.194 6.431 1.00 0.00 N ATOM 0 H GLN A 16 8.543 6.790 1.555 1.00 0.00 H new ATOM 0 HA GLN A 16 6.352 6.497 3.331 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.885 8.807 2.141 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.448 9.095 3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.488 7.254 4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.941 8.942 4.140 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.950 9.443 6.296 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.501 9.422 7.308 1.00 0.00 H new ATOM 210 N ILE A 17 5.765 7.556 0.272 1.00 0.00 N ATOM 211 CA ILE A 17 4.716 7.778 -0.716 1.00 0.00 C ATOM 212 C ILE A 17 3.765 6.587 -0.771 1.00 0.00 C ATOM 213 O ILE A 17 2.544 6.760 -0.882 1.00 0.00 O ATOM 214 CB ILE A 17 5.314 8.046 -2.116 1.00 0.00 C ATOM 215 CG1 ILE A 17 6.064 9.382 -2.117 1.00 0.00 C ATOM 216 CG2 ILE A 17 4.231 8.037 -3.184 1.00 0.00 C ATOM 217 CD1 ILE A 17 6.216 9.998 -3.490 1.00 0.00 C ATOM 0 H ILE A 17 6.714 7.618 -0.098 1.00 0.00 H new ATOM 0 HA ILE A 17 4.155 8.661 -0.409 1.00 0.00 H new ATOM 0 HB ILE A 17 6.017 7.247 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.537 10.084 -1.471 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.053 9.232 -1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.680 8.228 -4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.739 7.064 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.497 8.812 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.757 10.941 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.770 9.316 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.230 10.181 -3.918 1.00 0.00 H new ATOM 229 N LEU A 18 4.323 5.381 -0.654 1.00 0.00 N ATOM 230 CA LEU A 18 3.518 4.163 -0.660 1.00 0.00 C ATOM 231 C LEU A 18 2.554 4.123 0.532 1.00 0.00 C ATOM 232 O LEU A 18 1.635 3.305 0.563 1.00 0.00 O ATOM 233 CB LEU A 18 4.423 2.923 -0.652 1.00 0.00 C ATOM 234 CG LEU A 18 5.473 2.872 -1.767 1.00 0.00 C ATOM 235 CD1 LEU A 18 6.672 2.047 -1.331 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.874 2.299 -3.040 1.00 0.00 C ATOM 0 H LEU A 18 5.326 5.224 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 18 2.923 4.163 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.935 2.873 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.795 2.035 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 18 5.806 3.890 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.408 2.021 -2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.119 2.496 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.350 1.031 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.635 2.271 -3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.513 1.288 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.044 2.926 -3.366 1.00 0.00 H new ATOM 248 N LEU A 19 2.745 5.029 1.496 1.00 0.00 N ATOM 249 CA LEU A 19 1.864 5.106 2.661 1.00 0.00 C ATOM 250 C LEU A 19 1.271 6.512 2.807 1.00 0.00 C ATOM 251 O LEU A 19 0.605 6.812 3.801 1.00 0.00 O ATOM 252 CB LEU A 19 2.603 4.680 3.939 1.00 0.00 C ATOM 253 CG LEU A 19 3.661 5.662 4.455 1.00 0.00 C ATOM 254 CD1 LEU A 19 3.233 6.270 5.778 1.00 0.00 C ATOM 255 CD2 LEU A 19 5.003 4.966 4.605 1.00 0.00 C ATOM 0 H LEU A 19 3.499 5.716 1.491 1.00 0.00 H new ATOM 0 HA LEU A 19 1.039 4.410 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.866 4.522 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.085 3.720 3.755 1.00 0.00 H new ATOM 0 HG LEU A 19 3.763 6.465 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.999 6.963 6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.293 6.805 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.099 5.479 6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.743 5.677 4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.909 4.143 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.322 4.578 3.638 1.00 0.00 H new ATOM 267 N GLU A 20 1.508 7.365 1.802 1.00 0.00 N ATOM 268 CA GLU A 20 0.994 8.723 1.797 1.00 0.00 C ATOM 269 C GLU A 20 -0.082 8.882 0.731 1.00 0.00 C ATOM 270 O GLU A 20 -1.219 9.250 1.031 1.00 0.00 O ATOM 271 CB GLU A 20 2.135 9.705 1.547 1.00 0.00 C ATOM 272 CG GLU A 20 2.939 10.026 2.795 1.00 0.00 C ATOM 273 CD GLU A 20 2.983 11.508 3.108 1.00 0.00 C ATOM 274 OE1 GLU A 20 1.940 12.059 3.515 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.062 12.115 2.947 1.00 0.00 O ATOM 0 H GLU A 20 2.059 7.126 0.978 1.00 0.00 H new ATOM 0 HA GLU A 20 0.548 8.935 2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.802 9.291 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.726 10.630 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.509 9.494 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.957 9.657 2.669 1.00 0.00 H new ATOM 282 N GLN A 21 0.273 8.573 -0.516 1.00 0.00 N ATOM 283 CA GLN A 21 -0.682 8.663 -1.620 1.00 0.00 C ATOM 284 C GLN A 21 -1.439 7.355 -1.798 1.00 0.00 C ATOM 285 O GLN A 21 -2.402 7.281 -2.564 1.00 0.00 O ATOM 286 CB GLN A 21 0.018 9.072 -2.921 1.00 0.00 C ATOM 287 CG GLN A 21 1.083 8.086 -3.384 1.00 0.00 C ATOM 288 CD GLN A 21 1.506 8.304 -4.825 1.00 0.00 C ATOM 289 OE1 GLN A 21 1.279 7.457 -5.684 1.00 0.00 O ATOM 290 NE2 GLN A 21 2.126 9.441 -5.098 1.00 0.00 N ATOM 0 H GLN A 21 1.206 8.261 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.407 9.438 -1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.730 9.179 -3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.478 10.050 -2.783 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.956 8.173 -2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.703 7.070 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.296 10.120 -4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.434 9.638 -6.050 1.00 0.00 H new ATOM 299 N ALA A 22 -1.026 6.341 -1.050 1.00 0.00 N ATOM 300 CA ALA A 22 -1.690 5.050 -1.080 1.00 0.00 C ATOM 301 C ALA A 22 -2.800 5.003 -0.028 1.00 0.00 C ATOM 302 O ALA A 22 -3.621 4.091 -0.032 1.00 0.00 O ATOM 303 CB ALA A 22 -0.685 3.929 -0.863 1.00 0.00 C ATOM 0 H ALA A 22 -0.231 6.391 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.143 4.910 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.200 2.969 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.068 3.958 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.202 4.056 0.106 1.00 0.00 H new ATOM 309 N ARG A 23 -2.832 6.002 0.866 1.00 0.00 N ATOM 310 CA ARG A 23 -3.857 6.069 1.908 1.00 0.00 C ATOM 311 C ARG A 23 -5.252 6.084 1.290 1.00 0.00 C ATOM 312 O ARG A 23 -6.014 5.131 1.438 1.00 0.00 O ATOM 313 CB ARG A 23 -3.651 7.311 2.784 1.00 0.00 C ATOM 314 CG ARG A 23 -2.378 7.268 3.612 1.00 0.00 C ATOM 315 CD ARG A 23 -2.374 6.084 4.563 1.00 0.00 C ATOM 316 NE ARG A 23 -1.145 6.033 5.353 1.00 0.00 N ATOM 317 CZ ARG A 23 -1.044 5.471 6.552 1.00 0.00 C ATOM 318 NH1 ARG A 23 -2.079 4.851 7.091 1.00 0.00 N ATOM 319 NH2 ARG A 23 0.101 5.514 7.202 1.00 0.00 N ATOM 0 H ARG A 23 -2.161 6.770 0.885 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.766 5.182 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.630 8.195 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.505 7.420 3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.514 7.208 2.950 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.281 8.193 4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.234 6.149 5.230 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.481 5.160 3.995 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.307 6.458 4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.964 4.802 6.586 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.993 4.422 8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.907 5.978 6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.181 5.083 8.123 1.00 0.00 H new ATOM 333 N ALA A 24 -5.574 7.162 0.576 1.00 0.00 N ATOM 334 CA ALA A 24 -6.874 7.283 -0.081 1.00 0.00 C ATOM 335 C ALA A 24 -7.041 6.252 -1.192 1.00 0.00 C ATOM 336 O ALA A 24 -8.156 6.014 -1.664 1.00 0.00 O ATOM 337 CB ALA A 24 -7.077 8.700 -0.602 1.00 0.00 C ATOM 0 H ALA A 24 -4.955 7.961 0.438 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.646 7.078 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.050 8.773 -1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.033 9.403 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.293 8.939 -1.321 1.00 0.00 H new ATOM 343 N ARG A 25 -5.937 5.631 -1.596 1.00 0.00 N ATOM 344 CA ARG A 25 -5.966 4.619 -2.626 1.00 0.00 C ATOM 345 C ARG A 25 -6.274 3.257 -2.017 1.00 0.00 C ATOM 346 O ARG A 25 -7.203 2.574 -2.442 1.00 0.00 O ATOM 347 CB ARG A 25 -4.625 4.618 -3.348 1.00 0.00 C ATOM 348 CG ARG A 25 -4.714 5.109 -4.781 1.00 0.00 C ATOM 349 CD ARG A 25 -4.251 6.553 -4.898 1.00 0.00 C ATOM 350 NE ARG A 25 -5.110 7.489 -4.150 1.00 0.00 N ATOM 351 CZ ARG A 25 -5.119 8.802 -4.347 1.00 0.00 C ATOM 352 NH1 ARG A 25 -4.289 9.355 -5.213 1.00 0.00 N ATOM 353 NH2 ARG A 25 -5.947 9.566 -3.667 1.00 0.00 N ATOM 0 H ARG A 25 -5.009 5.819 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.754 4.838 -3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.924 5.247 -2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.218 3.607 -3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.103 4.475 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.742 5.024 -5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.228 6.633 -4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.236 6.841 -5.949 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.734 7.106 -3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.635 8.773 -5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.302 10.364 -5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.583 9.150 -2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.952 10.574 -3.820 1.00 0.00 H new ATOM 367 N ALA A 26 -5.514 2.891 -0.998 1.00 0.00 N ATOM 368 CA ALA A 26 -5.720 1.631 -0.299 1.00 0.00 C ATOM 369 C ALA A 26 -6.938 1.705 0.620 1.00 0.00 C ATOM 370 O ALA A 26 -7.460 0.673 1.040 1.00 0.00 O ATOM 371 CB ALA A 26 -4.474 1.244 0.486 1.00 0.00 C ATOM 0 H ALA A 26 -4.744 3.452 -0.634 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.910 0.859 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.648 0.300 1.002 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.632 1.135 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.249 2.020 1.217 1.00 0.00 H new ATOM 377 N ALA A 27 -7.409 2.921 0.921 1.00 0.00 N ATOM 378 CA ALA A 27 -8.576 3.078 1.771 1.00 0.00 C ATOM 379 C ALA A 27 -9.791 2.442 1.119 1.00 0.00 C ATOM 380 O ALA A 27 -10.609 1.813 1.793 1.00 0.00 O ATOM 381 CB ALA A 27 -8.829 4.547 2.088 1.00 0.00 C ATOM 0 H ALA A 27 -7.001 3.795 0.590 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.386 2.567 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.708 4.635 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.963 4.962 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.996 5.096 1.161 1.00 0.00 H new ATOM 387 N ARG A 28 -9.881 2.561 -0.205 1.00 0.00 N ATOM 388 CA ARG A 28 -10.982 1.943 -0.934 1.00 0.00 C ATOM 389 C ARG A 28 -10.713 0.455 -1.113 1.00 0.00 C ATOM 390 O ARG A 28 -11.628 -0.336 -1.340 1.00 0.00 O ATOM 391 CB ARG A 28 -11.176 2.602 -2.298 1.00 0.00 C ATOM 392 CG ARG A 28 -10.070 2.273 -3.287 1.00 0.00 C ATOM 393 CD ARG A 28 -9.872 3.389 -4.290 1.00 0.00 C ATOM 394 NE ARG A 28 -9.609 4.659 -3.618 1.00 0.00 N ATOM 395 CZ ARG A 28 -10.109 5.829 -3.988 1.00 0.00 C ATOM 396 NH1 ARG A 28 -10.881 5.932 -5.054 1.00 0.00 N ATOM 397 NH2 ARG A 28 -9.827 6.899 -3.282 1.00 0.00 N ATOM 0 H ARG A 28 -9.215 3.072 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.895 2.081 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.132 2.285 -2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.228 3.683 -2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.139 2.098 -2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.313 1.349 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.041 3.145 -4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.760 3.482 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.995 4.644 -2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.101 5.103 -5.607 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.258 6.840 -5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.229 6.824 -2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.206 7.805 -3.556 1.00 0.00 H new ATOM 411 N GLU A 29 -9.445 0.086 -0.988 1.00 0.00 N ATOM 412 CA GLU A 29 -9.027 -1.293 -1.113 1.00 0.00 C ATOM 413 C GLU A 29 -9.285 -2.025 0.186 1.00 0.00 C ATOM 414 O GLU A 29 -9.893 -3.091 0.202 1.00 0.00 O ATOM 415 CB GLU A 29 -7.543 -1.339 -1.455 1.00 0.00 C ATOM 416 CG GLU A 29 -7.239 -0.965 -2.897 1.00 0.00 C ATOM 417 CD GLU A 29 -5.887 -1.465 -3.359 1.00 0.00 C ATOM 418 OE1 GLU A 29 -5.767 -2.673 -3.648 1.00 0.00 O ATOM 419 OE2 GLU A 29 -4.950 -0.645 -3.433 1.00 0.00 O ATOM 0 H GLU A 29 -8.683 0.737 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.594 -1.778 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.005 -0.662 -0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.165 -2.343 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.014 -1.375 -3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.276 0.119 -3.002 1.00 0.00 H new ATOM 426 N GLN A 30 -8.830 -1.417 1.274 1.00 0.00 N ATOM 427 CA GLN A 30 -9.005 -1.960 2.613 1.00 0.00 C ATOM 428 C GLN A 30 -10.465 -2.318 2.877 1.00 0.00 C ATOM 429 O GLN A 30 -10.763 -3.287 3.575 1.00 0.00 O ATOM 430 CB GLN A 30 -8.522 -0.940 3.639 1.00 0.00 C ATOM 431 CG GLN A 30 -7.119 -1.214 4.149 1.00 0.00 C ATOM 432 CD GLN A 30 -7.001 -1.004 5.639 1.00 0.00 C ATOM 433 OE1 GLN A 30 -6.666 -1.919 6.384 1.00 0.00 O ATOM 434 NE2 GLN A 30 -7.278 0.208 6.083 1.00 0.00 N ATOM 0 H GLN A 30 -8.327 -0.530 1.251 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.417 -2.874 2.697 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.550 0.054 3.193 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.212 -0.930 4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.840 -2.239 3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.414 -0.561 3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.553 0.940 5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.217 0.412 7.081 1.00 0.00 H new ATOM 443 N ALA A 31 -11.367 -1.530 2.299 1.00 0.00 N ATOM 444 CA ALA A 31 -12.801 -1.758 2.455 1.00 0.00 C ATOM 445 C ALA A 31 -13.306 -2.790 1.450 1.00 0.00 C ATOM 446 O ALA A 31 -14.172 -3.608 1.762 1.00 0.00 O ATOM 447 CB ALA A 31 -13.560 -0.445 2.311 1.00 0.00 C ATOM 0 H ALA A 31 -11.130 -0.726 1.717 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.979 -2.155 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.628 -0.627 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.225 0.255 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.371 -0.022 1.324 1.00 0.00 H new ATOM 453 N THR A 32 -12.748 -2.741 0.249 1.00 0.00 N ATOM 454 CA THR A 32 -13.122 -3.665 -0.823 1.00 0.00 C ATOM 455 C THR A 32 -12.499 -5.046 -0.610 1.00 0.00 C ATOM 456 O THR A 32 -13.183 -6.062 -0.713 1.00 0.00 O ATOM 457 CB THR A 32 -12.699 -3.104 -2.186 1.00 0.00 C ATOM 458 OG1 THR A 32 -13.185 -1.785 -2.361 1.00 0.00 O ATOM 459 CG2 THR A 32 -13.197 -3.923 -3.356 1.00 0.00 C ATOM 0 H THR A 32 -12.029 -2.067 -0.013 1.00 0.00 H new ATOM 0 HA THR A 32 -14.206 -3.774 -0.803 1.00 0.00 H new ATOM 0 HB THR A 32 -11.609 -3.131 -2.177 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.469 -1.144 -2.169 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.861 -3.468 -4.288 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.803 -4.937 -3.284 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.286 -3.955 -3.340 1.00 0.00 H new ATOM 467 N THR A 33 -11.200 -5.079 -0.310 1.00 0.00 N ATOM 468 CA THR A 33 -10.490 -6.342 -0.084 1.00 0.00 C ATOM 469 C THR A 33 -11.098 -7.120 1.082 1.00 0.00 C ATOM 470 O THR A 33 -11.291 -8.334 0.989 1.00 0.00 O ATOM 471 CB THR A 33 -8.993 -6.095 0.158 1.00 0.00 C ATOM 472 OG1 THR A 33 -8.265 -7.307 0.059 1.00 0.00 O ATOM 473 CG2 THR A 33 -8.677 -5.479 1.509 1.00 0.00 C ATOM 0 H THR A 33 -10.617 -4.247 -0.218 1.00 0.00 H new ATOM 0 HA THR A 33 -10.598 -6.945 -0.985 1.00 0.00 H new ATOM 0 HB THR A 33 -8.699 -5.384 -0.614 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.314 -7.131 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.600 -5.337 1.601 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.179 -4.515 1.596 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.025 -6.142 2.301 1.00 0.00 H new ATOM 481 N ASN A 34 -11.421 -6.415 2.169 1.00 0.00 N ATOM 482 CA ASN A 34 -12.028 -7.040 3.335 1.00 0.00 C ATOM 483 C ASN A 34 -13.322 -7.747 2.928 1.00 0.00 C ATOM 484 O ASN A 34 -13.555 -8.902 3.294 1.00 0.00 O ATOM 485 CB ASN A 34 -12.298 -5.975 4.399 1.00 0.00 C ATOM 486 CG ASN A 34 -11.653 -6.295 5.733 1.00 0.00 C ATOM 487 OD1 ASN A 34 -11.915 -7.335 6.330 1.00 0.00 O ATOM 488 ND2 ASN A 34 -10.798 -5.399 6.207 1.00 0.00 N ATOM 0 H ASN A 34 -11.270 -5.410 2.261 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.349 -7.784 3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.928 -5.013 4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.374 -5.872 4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.331 -5.562 7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.608 -4.547 5.680 1.00 0.00 H new ATOM 495 N ALA A 35 -14.143 -7.052 2.139 1.00 0.00 N ATOM 496 CA ALA A 35 -15.392 -7.609 1.646 1.00 0.00 C ATOM 497 C ALA A 35 -15.127 -8.662 0.573 1.00 0.00 C ATOM 498 O ALA A 35 -15.825 -9.664 0.496 1.00 0.00 O ATOM 499 CB ALA A 35 -16.292 -6.503 1.110 1.00 0.00 C ATOM 0 H ALA A 35 -13.959 -6.098 1.829 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.905 -8.095 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -17.223 -6.936 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -16.511 -5.793 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.787 -5.987 0.293 1.00 0.00 H new ATOM 505 N ARG A 36 -14.097 -8.437 -0.240 1.00 0.00 N ATOM 506 CA ARG A 36 -13.722 -9.372 -1.298 1.00 0.00 C ATOM 507 C ARG A 36 -13.406 -10.748 -0.721 1.00 0.00 C ATOM 508 O ARG A 36 -13.650 -11.772 -1.358 1.00 0.00 O ATOM 509 CB ARG A 36 -12.506 -8.830 -2.053 1.00 0.00 C ATOM 510 CG ARG A 36 -12.854 -7.979 -3.266 1.00 0.00 C ATOM 511 CD ARG A 36 -12.522 -8.694 -4.568 1.00 0.00 C ATOM 512 NE ARG A 36 -13.706 -9.308 -5.182 1.00 0.00 N ATOM 513 CZ ARG A 36 -14.496 -8.711 -6.069 1.00 0.00 C ATOM 514 NH1 ARG A 36 -14.278 -7.464 -6.439 1.00 0.00 N ATOM 515 NH2 ARG A 36 -15.516 -9.372 -6.577 1.00 0.00 N ATOM 0 H ARG A 36 -13.504 -7.609 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.562 -9.476 -1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.902 -8.236 -1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.889 -9.669 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.916 -7.733 -3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.308 -7.037 -3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.079 -7.985 -5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.774 -9.463 -4.377 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.939 -10.262 -4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.495 -6.944 -6.044 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.893 -7.019 -7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.695 -10.334 -6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.127 -8.922 -7.258 1.00 0.00 H new ATOM 529 N ILE A 37 -12.867 -10.762 0.491 1.00 0.00 N ATOM 530 CA ILE A 37 -12.533 -12.018 1.156 1.00 0.00 C ATOM 531 C ILE A 37 -13.800 -12.790 1.528 1.00 0.00 C ATOM 532 O ILE A 37 -13.872 -14.005 1.342 1.00 0.00 O ATOM 533 CB ILE A 37 -11.668 -11.786 2.417 1.00 0.00 C ATOM 534 CG1 ILE A 37 -10.284 -11.266 2.019 1.00 0.00 C ATOM 535 CG2 ILE A 37 -11.541 -13.071 3.229 1.00 0.00 C ATOM 536 CD1 ILE A 37 -9.310 -11.175 3.176 1.00 0.00 C ATOM 0 H ILE A 37 -12.652 -9.925 1.032 1.00 0.00 H new ATOM 0 HA ILE A 37 -11.950 -12.610 0.450 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.159 -11.038 3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.866 -11.921 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.392 -10.279 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.929 -12.885 4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.531 -13.405 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.072 -13.843 2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.352 -10.799 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.705 -10.497 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.171 -12.164 3.613 1.00 0.00 H new ATOM 548 N LEU A 38 -14.798 -12.075 2.041 1.00 0.00 N ATOM 549 CA LEU A 38 -16.066 -12.690 2.426 1.00 0.00 C ATOM 550 C LEU A 38 -17.092 -12.654 1.282 1.00 0.00 C ATOM 551 O LEU A 38 -18.140 -13.299 1.366 1.00 0.00 O ATOM 552 CB LEU A 38 -16.635 -11.990 3.666 1.00 0.00 C ATOM 553 CG LEU A 38 -17.199 -10.587 3.427 1.00 0.00 C ATOM 554 CD1 LEU A 38 -18.717 -10.608 3.473 1.00 0.00 C ATOM 555 CD2 LEU A 38 -16.650 -9.612 4.454 1.00 0.00 C ATOM 0 H LEU A 38 -14.753 -11.068 2.200 1.00 0.00 H new ATOM 0 HA LEU A 38 -15.868 -13.737 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -17.425 -12.614 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.849 -11.924 4.418 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.889 -10.256 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -19.100 -9.602 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.095 -11.277 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.047 -10.960 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.061 -8.619 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.931 -9.941 5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.563 -9.575 4.376 1.00 0.00 H new ATOM 567 N ALA A 39 -16.799 -11.899 0.217 1.00 0.00 N ATOM 568 CA ALA A 39 -17.708 -11.790 -0.916 1.00 0.00 C ATOM 569 C ALA A 39 -16.946 -11.670 -2.240 1.00 0.00 C ATOM 570 O ALA A 39 -17.214 -10.781 -3.051 1.00 0.00 O ATOM 571 CB ALA A 39 -18.651 -10.610 -0.718 1.00 0.00 C ATOM 0 H ALA A 39 -15.940 -11.358 0.122 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.299 -12.705 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.326 -10.537 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.231 -10.757 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.071 -9.691 -0.635 1.00 0.00 H new ATOM 577 N ARG A 40 -15.987 -12.571 -2.440 1.00 0.00 N ATOM 578 CA ARG A 40 -15.167 -12.588 -3.652 1.00 0.00 C ATOM 579 C ARG A 40 -16.016 -12.449 -4.917 1.00 0.00 C ATOM 580 O ARG A 40 -15.712 -11.636 -5.793 1.00 0.00 O ATOM 581 CB ARG A 40 -14.344 -13.878 -3.710 1.00 0.00 C ATOM 582 CG ARG A 40 -13.357 -13.920 -4.867 1.00 0.00 C ATOM 583 CD ARG A 40 -12.096 -14.681 -4.498 1.00 0.00 C ATOM 584 NE ARG A 40 -11.333 -14.000 -3.447 1.00 0.00 N ATOM 585 CZ ARG A 40 -10.057 -14.240 -3.173 1.00 0.00 C ATOM 586 NH1 ARG A 40 -9.384 -15.150 -3.852 1.00 0.00 N ATOM 587 NH2 ARG A 40 -9.455 -13.568 -2.211 1.00 0.00 N ATOM 0 H ARG A 40 -15.756 -13.306 -1.772 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.497 -11.730 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.798 -13.993 -2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.022 -14.728 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -13.827 -14.391 -5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.096 -12.903 -5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.362 -15.683 -4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.470 -14.797 -5.383 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.815 -13.295 -2.890 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.844 -15.676 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.403 -15.327 -3.634 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.970 -12.866 -1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.474 -13.750 -1.998 1.00 0.00 H new ATOM 601 N VAL A 41 -17.073 -13.242 -4.992 1.00 0.00 N ATOM 602 CA VAL A 41 -17.985 -13.225 -6.133 1.00 0.00 C ATOM 603 C VAL A 41 -19.430 -13.463 -5.683 1.00 0.00 C ATOM 604 O VAL A 41 -20.352 -12.976 -6.373 1.00 0.00 O ATOM 605 CB VAL A 41 -17.583 -14.281 -7.193 1.00 0.00 C ATOM 606 CG1 VAL A 41 -17.735 -15.694 -6.645 1.00 0.00 C ATOM 607 CG2 VAL A 41 -18.403 -14.110 -8.463 1.00 0.00 C ATOM 608 OXT VAL A 41 -19.625 -14.127 -4.639 1.00 0.00 O ATOM 0 H VAL A 41 -17.326 -13.915 -4.268 1.00 0.00 H new ATOM 0 HA VAL A 41 -17.916 -12.237 -6.588 1.00 0.00 H new ATOM 0 HB VAL A 41 -16.532 -14.125 -7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.446 -16.414 -7.410 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -17.095 -15.816 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -18.773 -15.864 -6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.104 -14.862 -9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -19.461 -14.230 -8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.232 -13.116 -8.875 1.00 0.00 H new TER 618 VAL A 41