USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 414 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 THR OG1 : rot 180:sc= -0.232 USER MOD Set 1.2: A 9 GLN : amide:sc= 0 X(o=-0.23,f=-0.54) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.226 (180deg=-0.959) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.19 (180deg=1.19) USER MOD Single : A 6 ASN : amide:sc= 0.413 K(o=0.41,f=-5.7!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot -160:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -111:sc= -0.757 (180deg=-2.15!) USER MOD Single : A 22 THR OG1 : rot 77:sc= 1.17 USER MOD Single : A 26 CYS SG : rot 46:sc= 0.152 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.489 K(o=0.49,f=-2.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.421 10.850 -0.781 1.00 0.00 N ATOM 2 CA MET A 1 6.846 9.881 -1.791 1.00 0.00 C ATOM 3 C MET A 1 5.727 9.642 -2.818 1.00 0.00 C ATOM 4 O MET A 1 4.596 9.310 -2.458 1.00 0.00 O ATOM 5 CB MET A 1 7.297 8.561 -1.108 1.00 0.00 C ATOM 6 CG MET A 1 6.294 7.941 -0.121 1.00 0.00 C ATOM 7 SD MET A 1 6.964 6.488 0.707 1.00 0.00 S ATOM 8 CE MET A 1 8.411 7.164 1.515 1.00 0.00 C ATOM 0 H1 MET A 1 7.230 11.100 -0.178 1.00 0.00 H new ATOM 0 H2 MET A 1 6.061 11.705 -1.250 1.00 0.00 H new ATOM 0 H3 MET A 1 5.669 10.434 -0.196 1.00 0.00 H new ATOM 0 HA MET A 1 7.701 10.284 -2.334 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.514 7.828 -1.885 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.231 8.749 -0.578 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.013 8.685 0.625 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.384 7.666 -0.655 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.685 6.532 2.359 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.239 7.202 0.807 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.192 8.170 1.872 1.00 0.00 H new ATOM 20 N LEU A 2 6.063 9.819 -4.106 1.00 0.00 N ATOM 21 CA LEU A 2 5.145 9.599 -5.233 1.00 0.00 C ATOM 22 C LEU A 2 5.081 8.094 -5.524 1.00 0.00 C ATOM 23 O LEU A 2 5.971 7.551 -6.176 1.00 0.00 O ATOM 24 CB LEU A 2 5.637 10.380 -6.485 1.00 0.00 C ATOM 25 CG LEU A 2 4.767 10.234 -7.781 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.367 10.843 -7.581 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.476 10.844 -9.007 1.00 0.00 C ATOM 0 H LEU A 2 6.992 10.123 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 2 4.149 9.964 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.693 11.438 -6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.651 10.054 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 2 4.640 9.169 -7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.786 10.727 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.861 10.331 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.462 11.902 -7.343 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.845 10.726 -9.888 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.659 11.904 -8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.426 10.334 -9.169 1.00 0.00 H new ATOM 39 N VAL A 3 4.051 7.421 -4.993 1.00 0.00 N ATOM 40 CA VAL A 3 3.866 5.955 -5.120 1.00 0.00 C ATOM 41 C VAL A 3 2.662 5.659 -6.023 1.00 0.00 C ATOM 42 O VAL A 3 1.692 6.410 -6.021 1.00 0.00 O ATOM 43 CB VAL A 3 3.671 5.294 -3.700 1.00 0.00 C ATOM 44 CG1 VAL A 3 4.868 5.627 -2.787 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.335 5.717 -3.030 1.00 0.00 C ATOM 0 H VAL A 3 3.312 7.876 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 3 4.760 5.525 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 3 3.624 4.215 -3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.721 5.165 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.785 5.244 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.946 6.708 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.248 5.236 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.318 6.799 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.499 5.413 -3.661 1.00 0.00 H new ATOM 55 N THR A 4 2.730 4.570 -6.804 1.00 0.00 N ATOM 56 CA THR A 4 1.682 4.230 -7.773 1.00 0.00 C ATOM 57 C THR A 4 0.544 3.470 -7.063 1.00 0.00 C ATOM 58 O THR A 4 0.646 2.267 -6.832 1.00 0.00 O ATOM 59 CB THR A 4 2.268 3.382 -8.954 1.00 0.00 C ATOM 60 OG1 THR A 4 3.510 3.953 -9.410 1.00 0.00 O ATOM 61 CG2 THR A 4 1.299 3.322 -10.140 1.00 0.00 C ATOM 0 H THR A 4 3.505 3.908 -6.781 1.00 0.00 H new ATOM 0 HA THR A 4 1.280 5.151 -8.195 1.00 0.00 H new ATOM 0 HB THR A 4 2.430 2.373 -8.575 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.867 3.414 -10.146 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.739 2.726 -10.940 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.362 2.866 -9.821 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.106 4.331 -10.504 1.00 0.00 H new ATOM 69 N ILE A 5 -0.546 4.189 -6.727 1.00 0.00 N ATOM 70 CA ILE A 5 -1.701 3.617 -6.002 1.00 0.00 C ATOM 71 C ILE A 5 -2.778 3.204 -7.020 1.00 0.00 C ATOM 72 O ILE A 5 -3.396 4.067 -7.651 1.00 0.00 O ATOM 73 CB ILE A 5 -2.304 4.621 -4.941 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.214 5.027 -3.896 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.553 4.020 -4.228 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.689 5.986 -2.811 1.00 0.00 C ATOM 0 H ILE A 5 -0.651 5.179 -6.949 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.354 2.746 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.629 5.514 -5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.834 4.123 -3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.378 5.485 -4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.940 4.738 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.322 3.798 -4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.271 3.103 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.863 6.208 -2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.041 6.910 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.503 5.527 -2.250 1.00 0.00 H new ATOM 88 N ASN A 6 -2.942 1.874 -7.194 1.00 0.00 N ATOM 89 CA ASN A 6 -3.947 1.257 -8.093 1.00 0.00 C ATOM 90 C ASN A 6 -3.723 1.685 -9.560 1.00 0.00 C ATOM 91 O ASN A 6 -4.671 1.851 -10.329 1.00 0.00 O ATOM 92 CB ASN A 6 -5.405 1.560 -7.609 1.00 0.00 C ATOM 93 CG ASN A 6 -5.720 1.028 -6.200 1.00 0.00 C ATOM 94 OD1 ASN A 6 -4.861 0.996 -5.326 1.00 0.00 O ATOM 95 ND2 ASN A 6 -6.952 0.605 -5.977 1.00 0.00 N ATOM 0 H ASN A 6 -2.370 1.185 -6.705 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.815 0.176 -8.051 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.565 2.638 -7.623 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.110 1.124 -8.317 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.208 0.240 -5.059 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.647 0.643 -6.723 1.00 0.00 H new ATOM 102 N GLY A 7 -2.438 1.829 -9.935 1.00 0.00 N ATOM 103 CA GLY A 7 -2.049 2.227 -11.294 1.00 0.00 C ATOM 104 C GLY A 7 -2.008 3.742 -11.498 1.00 0.00 C ATOM 105 O GLY A 7 -1.609 4.212 -12.570 1.00 0.00 O ATOM 0 H GLY A 7 -1.649 1.673 -9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.067 1.811 -11.519 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.750 1.791 -12.006 1.00 0.00 H new ATOM 109 N GLU A 8 -2.402 4.503 -10.462 1.00 0.00 N ATOM 110 CA GLU A 8 -2.450 5.977 -10.491 1.00 0.00 C ATOM 111 C GLU A 8 -1.483 6.523 -9.431 1.00 0.00 C ATOM 112 O GLU A 8 -1.724 6.355 -8.231 1.00 0.00 O ATOM 113 CB GLU A 8 -3.893 6.455 -10.197 1.00 0.00 C ATOM 114 CG GLU A 8 -4.971 5.841 -11.107 1.00 0.00 C ATOM 115 CD GLU A 8 -6.391 6.166 -10.625 1.00 0.00 C ATOM 116 OE1 GLU A 8 -6.802 5.620 -9.576 1.00 0.00 O ATOM 117 OE2 GLU A 8 -7.087 6.996 -11.257 1.00 0.00 O ATOM 0 H GLU A 8 -2.700 4.108 -9.570 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.155 6.343 -11.475 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.135 6.220 -9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.929 7.540 -10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.840 6.212 -12.123 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.840 4.759 -11.143 1.00 0.00 H new ATOM 124 N GLN A 9 -0.387 7.149 -9.875 1.00 0.00 N ATOM 125 CA GLN A 9 0.652 7.688 -8.983 1.00 0.00 C ATOM 126 C GLN A 9 0.098 8.855 -8.136 1.00 0.00 C ATOM 127 O GLN A 9 -0.347 9.872 -8.682 1.00 0.00 O ATOM 128 CB GLN A 9 1.884 8.140 -9.803 1.00 0.00 C ATOM 129 CG GLN A 9 2.535 7.007 -10.625 1.00 0.00 C ATOM 130 CD GLN A 9 3.765 7.429 -11.429 1.00 0.00 C ATOM 131 OE1 GLN A 9 3.880 8.573 -11.860 1.00 0.00 O ATOM 132 NE2 GLN A 9 4.690 6.497 -11.644 1.00 0.00 N ATOM 0 H GLN A 9 -0.193 7.298 -10.865 1.00 0.00 H new ATOM 0 HA GLN A 9 0.964 6.897 -8.301 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.585 8.941 -10.479 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.628 8.557 -9.124 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.819 6.202 -9.948 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.792 6.600 -11.310 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.562 5.556 -11.271 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.527 6.723 -12.182 1.00 0.00 H new ATOM 141 N ARG A 10 0.118 8.666 -6.810 1.00 0.00 N ATOM 142 CA ARG A 10 -0.288 9.653 -5.803 1.00 0.00 C ATOM 143 C ARG A 10 0.895 9.914 -4.863 1.00 0.00 C ATOM 144 O ARG A 10 1.613 8.979 -4.489 1.00 0.00 O ATOM 145 CB ARG A 10 -1.488 9.133 -4.980 1.00 0.00 C ATOM 146 CG ARG A 10 -2.040 10.152 -3.947 1.00 0.00 C ATOM 147 CD ARG A 10 -3.119 9.580 -3.024 1.00 0.00 C ATOM 148 NE ARG A 10 -4.231 8.972 -3.772 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.343 8.464 -3.221 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.522 8.494 -1.909 1.00 0.00 N ATOM 151 NH2 ARG A 10 -6.253 7.896 -3.989 1.00 0.00 N ATOM 0 H ARG A 10 0.429 7.788 -6.394 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.586 10.573 -6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.290 8.855 -5.664 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.188 8.226 -4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.214 10.521 -3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.450 11.009 -4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.673 8.832 -2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.505 10.374 -2.385 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.150 8.934 -4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.810 8.907 -1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.372 8.105 -1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.109 7.845 -4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.100 7.508 -3.574 1.00 0.00 H new ATOM 165 N GLU A 11 1.085 11.180 -4.486 1.00 0.00 N ATOM 166 CA GLU A 11 2.087 11.577 -3.498 1.00 0.00 C ATOM 167 C GLU A 11 1.489 11.338 -2.098 1.00 0.00 C ATOM 168 O GLU A 11 0.391 11.821 -1.805 1.00 0.00 O ATOM 169 CB GLU A 11 2.469 13.073 -3.723 1.00 0.00 C ATOM 170 CG GLU A 11 3.822 13.519 -3.114 1.00 0.00 C ATOM 171 CD GLU A 11 3.846 13.615 -1.575 1.00 0.00 C ATOM 172 OE1 GLU A 11 3.309 14.597 -1.020 1.00 0.00 O ATOM 173 OE2 GLU A 11 4.407 12.718 -0.924 1.00 0.00 O ATOM 0 H GLU A 11 0.545 11.961 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 11 3.000 10.990 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.493 13.266 -4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.680 13.697 -3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.594 12.818 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.086 14.492 -3.528 1.00 0.00 H new ATOM 180 N VAL A 12 2.197 10.563 -1.253 1.00 0.00 N ATOM 181 CA VAL A 12 1.767 10.242 0.127 1.00 0.00 C ATOM 182 C VAL A 12 2.923 10.468 1.120 1.00 0.00 C ATOM 183 O VAL A 12 4.094 10.390 0.749 1.00 0.00 O ATOM 184 CB VAL A 12 1.250 8.756 0.270 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.008 8.496 -0.618 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.384 7.729 -0.021 1.00 0.00 C ATOM 0 H VAL A 12 3.089 10.139 -1.508 1.00 0.00 H new ATOM 0 HA VAL A 12 0.938 10.912 0.356 1.00 0.00 H new ATOM 0 HB VAL A 12 0.941 8.618 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.319 7.464 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.797 9.170 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.265 8.671 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.994 6.717 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.751 7.871 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.201 7.880 0.684 1.00 0.00 H new ATOM 196 N GLN A 13 2.577 10.719 2.391 1.00 0.00 N ATOM 197 CA GLN A 13 3.563 10.991 3.460 1.00 0.00 C ATOM 198 C GLN A 13 3.970 9.687 4.181 1.00 0.00 C ATOM 199 O GLN A 13 5.079 9.586 4.725 1.00 0.00 O ATOM 200 CB GLN A 13 2.980 12.024 4.462 1.00 0.00 C ATOM 201 CG GLN A 13 3.989 12.548 5.505 1.00 0.00 C ATOM 202 CD GLN A 13 3.412 13.619 6.428 1.00 0.00 C ATOM 203 OE1 GLN A 13 2.870 13.319 7.488 1.00 0.00 O ATOM 204 NE2 GLN A 13 3.524 14.880 6.037 1.00 0.00 N ATOM 0 H GLN A 13 1.609 10.740 2.712 1.00 0.00 H new ATOM 0 HA GLN A 13 4.463 11.410 3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.584 12.871 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.140 11.568 4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.343 11.712 6.108 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.857 12.956 4.986 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.979 15.101 5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.155 15.630 6.622 1.00 0.00 H new ATOM 213 N SER A 14 3.070 8.690 4.151 1.00 0.00 N ATOM 214 CA SER A 14 3.253 7.419 4.867 1.00 0.00 C ATOM 215 C SER A 14 4.353 6.547 4.222 1.00 0.00 C ATOM 216 O SER A 14 4.214 6.099 3.080 1.00 0.00 O ATOM 217 CB SER A 14 1.929 6.647 4.908 1.00 0.00 C ATOM 218 OG SER A 14 0.896 7.412 5.507 1.00 0.00 O ATOM 0 H SER A 14 2.195 8.744 3.629 1.00 0.00 H new ATOM 0 HA SER A 14 3.572 7.654 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.637 6.371 3.895 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.065 5.720 5.465 1.00 0.00 H new ATOM 0 HG SER A 14 0.178 6.815 5.806 1.00 0.00 H new ATOM 224 N ALA A 15 5.443 6.333 4.987 1.00 0.00 N ATOM 225 CA ALA A 15 6.556 5.421 4.622 1.00 0.00 C ATOM 226 C ALA A 15 6.364 4.017 5.244 1.00 0.00 C ATOM 227 O ALA A 15 7.285 3.200 5.249 1.00 0.00 O ATOM 228 CB ALA A 15 7.903 6.040 5.050 1.00 0.00 C ATOM 0 H ALA A 15 5.580 6.792 5.887 1.00 0.00 H new ATOM 0 HA ALA A 15 6.557 5.294 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.716 5.366 4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.041 6.996 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.905 6.196 6.129 1.00 0.00 H new ATOM 234 N SER A 16 5.152 3.757 5.756 1.00 0.00 N ATOM 235 CA SER A 16 4.716 2.445 6.276 1.00 0.00 C ATOM 236 C SER A 16 3.391 2.079 5.611 1.00 0.00 C ATOM 237 O SER A 16 2.532 2.945 5.462 1.00 0.00 O ATOM 238 CB SER A 16 4.530 2.500 7.808 1.00 0.00 C ATOM 239 OG SER A 16 4.043 1.264 8.328 1.00 0.00 O ATOM 0 H SER A 16 4.426 4.470 5.823 1.00 0.00 H new ATOM 0 HA SER A 16 5.475 1.696 6.052 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.481 2.743 8.281 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.834 3.300 8.061 1.00 0.00 H new ATOM 0 HG SER A 16 3.939 1.336 9.300 1.00 0.00 H new ATOM 245 N VAL A 17 3.240 0.797 5.214 1.00 0.00 N ATOM 246 CA VAL A 17 2.018 0.292 4.555 1.00 0.00 C ATOM 247 C VAL A 17 0.827 0.286 5.537 1.00 0.00 C ATOM 248 O VAL A 17 -0.314 0.527 5.126 1.00 0.00 O ATOM 249 CB VAL A 17 2.246 -1.142 3.927 1.00 0.00 C ATOM 250 CG1 VAL A 17 0.935 -1.778 3.399 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.299 -1.078 2.795 1.00 0.00 C ATOM 0 H VAL A 17 3.960 0.086 5.341 1.00 0.00 H new ATOM 0 HA VAL A 17 1.779 0.971 3.736 1.00 0.00 H new ATOM 0 HB VAL A 17 2.614 -1.781 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.151 -2.761 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.225 -1.882 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.506 -1.140 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.443 -2.074 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.953 -0.401 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.244 -0.714 3.198 1.00 0.00 H new ATOM 261 N ALA A 18 1.102 0.016 6.837 1.00 0.00 N ATOM 262 CA ALA A 18 0.086 0.086 7.905 1.00 0.00 C ATOM 263 C ALA A 18 -0.522 1.490 7.972 1.00 0.00 C ATOM 264 O ALA A 18 -1.736 1.655 7.809 1.00 0.00 O ATOM 265 CB ALA A 18 0.695 -0.321 9.260 1.00 0.00 C ATOM 0 H ALA A 18 2.028 -0.254 7.168 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.713 -0.618 7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.070 -0.263 10.035 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.072 -1.342 9.198 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.515 0.354 9.508 1.00 0.00 H new ATOM 271 N ALA A 19 0.363 2.494 8.157 1.00 0.00 N ATOM 272 CA ALA A 19 -0.024 3.911 8.236 1.00 0.00 C ATOM 273 C ALA A 19 -0.648 4.398 6.920 1.00 0.00 C ATOM 274 O ALA A 19 -1.537 5.248 6.937 1.00 0.00 O ATOM 275 CB ALA A 19 1.196 4.769 8.603 1.00 0.00 C ATOM 0 H ALA A 19 1.366 2.339 8.255 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.779 4.013 9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.900 5.817 8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.588 4.450 9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.967 4.650 7.842 1.00 0.00 H new ATOM 281 N LEU A 20 -0.163 3.843 5.789 1.00 0.00 N ATOM 282 CA LEU A 20 -0.624 4.217 4.447 1.00 0.00 C ATOM 283 C LEU A 20 -2.092 3.846 4.276 1.00 0.00 C ATOM 284 O LEU A 20 -2.916 4.704 3.989 1.00 0.00 O ATOM 285 CB LEU A 20 0.251 3.544 3.352 1.00 0.00 C ATOM 286 CG LEU A 20 -0.099 3.904 1.872 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.041 5.425 1.630 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.811 3.149 0.883 1.00 0.00 C ATOM 0 H LEU A 20 0.560 3.123 5.787 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.524 5.296 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.292 3.812 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.175 2.463 3.469 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.125 3.583 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.290 5.638 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.756 5.925 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.964 5.789 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.543 3.420 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.851 3.417 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.683 2.075 1.018 1.00 0.00 H new ATOM 300 N MET A 21 -2.414 2.565 4.501 1.00 0.00 N ATOM 301 CA MET A 21 -3.777 2.053 4.344 1.00 0.00 C ATOM 302 C MET A 21 -4.708 2.609 5.439 1.00 0.00 C ATOM 303 O MET A 21 -5.901 2.712 5.223 1.00 0.00 O ATOM 304 CB MET A 21 -3.782 0.503 4.312 1.00 0.00 C ATOM 305 CG MET A 21 -2.915 -0.089 3.183 1.00 0.00 C ATOM 306 SD MET A 21 -3.174 -1.856 2.953 1.00 0.00 S ATOM 307 CE MET A 21 -4.849 -1.898 2.315 1.00 0.00 C ATOM 0 H MET A 21 -1.739 1.860 4.795 1.00 0.00 H new ATOM 0 HA MET A 21 -4.165 2.401 3.387 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.424 0.126 5.270 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.807 0.153 4.194 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.138 0.430 2.251 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.864 0.093 3.406 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.511 -2.340 3.059 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.179 -0.883 2.093 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.876 -2.496 1.404 1.00 0.00 H new ATOM 317 N THR A 22 -4.153 2.984 6.610 1.00 0.00 N ATOM 318 CA THR A 22 -4.922 3.686 7.663 1.00 0.00 C ATOM 319 C THR A 22 -5.321 5.104 7.190 1.00 0.00 C ATOM 320 O THR A 22 -6.454 5.553 7.417 1.00 0.00 O ATOM 321 CB THR A 22 -4.123 3.743 9.012 1.00 0.00 C ATOM 322 OG1 THR A 22 -3.832 2.404 9.453 1.00 0.00 O ATOM 323 CG2 THR A 22 -4.896 4.473 10.130 1.00 0.00 C ATOM 0 H THR A 22 -3.177 2.814 6.852 1.00 0.00 H new ATOM 0 HA THR A 22 -5.834 3.119 7.849 1.00 0.00 H new ATOM 0 HB THR A 22 -3.208 4.302 8.818 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.092 2.039 8.924 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.296 4.483 11.040 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.102 5.498 9.820 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.836 3.955 10.320 1.00 0.00 H new ATOM 331 N GLU A 23 -4.380 5.766 6.485 1.00 0.00 N ATOM 332 CA GLU A 23 -4.563 7.117 5.931 1.00 0.00 C ATOM 333 C GLU A 23 -5.590 7.097 4.779 1.00 0.00 C ATOM 334 O GLU A 23 -6.437 7.991 4.664 1.00 0.00 O ATOM 335 CB GLU A 23 -3.188 7.659 5.433 1.00 0.00 C ATOM 336 CG GLU A 23 -3.195 9.132 4.972 1.00 0.00 C ATOM 337 CD GLU A 23 -3.508 10.113 6.117 1.00 0.00 C ATOM 338 OE1 GLU A 23 -2.639 10.305 7.001 1.00 0.00 O ATOM 339 OE2 GLU A 23 -4.621 10.695 6.149 1.00 0.00 O ATOM 0 H GLU A 23 -3.462 5.370 6.284 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.948 7.776 6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.459 7.549 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.847 7.037 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.224 9.379 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.934 9.257 4.180 1.00 0.00 H new ATOM 346 N LEU A 24 -5.521 6.029 3.957 1.00 0.00 N ATOM 347 CA LEU A 24 -6.341 5.869 2.734 1.00 0.00 C ATOM 348 C LEU A 24 -7.718 5.215 3.038 1.00 0.00 C ATOM 349 O LEU A 24 -8.468 4.905 2.105 1.00 0.00 O ATOM 350 CB LEU A 24 -5.553 5.024 1.685 1.00 0.00 C ATOM 351 CG LEU A 24 -4.151 5.578 1.271 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.437 4.650 0.275 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.251 7.008 0.721 1.00 0.00 C ATOM 0 H LEU A 24 -4.889 5.246 4.124 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.542 6.861 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.421 4.018 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.165 4.933 0.788 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.544 5.611 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.467 5.073 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.295 3.669 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.042 4.548 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.258 7.361 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.898 7.016 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.669 7.663 1.485 1.00 0.00 H new ATOM 365 N ASP A 25 -8.020 5.006 4.349 1.00 0.00 N ATOM 366 CA ASP A 25 -9.303 4.420 4.833 1.00 0.00 C ATOM 367 C ASP A 25 -9.531 3.009 4.225 1.00 0.00 C ATOM 368 O ASP A 25 -10.612 2.652 3.758 1.00 0.00 O ATOM 369 CB ASP A 25 -10.493 5.397 4.564 1.00 0.00 C ATOM 370 CG ASP A 25 -11.810 4.981 5.255 1.00 0.00 C ATOM 371 OD1 ASP A 25 -11.813 4.823 6.500 1.00 0.00 O ATOM 372 OD2 ASP A 25 -12.846 4.807 4.571 1.00 0.00 O ATOM 0 H ASP A 25 -7.376 5.241 5.105 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.245 4.287 5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.215 6.395 4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.662 5.461 3.489 1.00 0.00 H new ATOM 377 N CYS A 26 -8.450 2.234 4.242 1.00 0.00 N ATOM 378 CA CYS A 26 -8.384 0.850 3.748 1.00 0.00 C ATOM 379 C CYS A 26 -7.893 -0.101 4.866 1.00 0.00 C ATOM 380 O CYS A 26 -7.462 -1.222 4.592 1.00 0.00 O ATOM 381 CB CYS A 26 -7.434 0.799 2.530 1.00 0.00 C ATOM 382 SG CYS A 26 -7.847 1.959 1.210 1.00 0.00 S ATOM 0 H CYS A 26 -7.558 2.560 4.614 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.378 0.521 3.445 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.418 1.001 2.869 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.439 -0.212 2.123 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.102 3.126 1.722 1.00 0.00 H new ATOM 439 N TYR A 31 -9.630 -5.517 3.639 1.00 0.00 N ATOM 440 CA TYR A 31 -8.784 -5.002 2.549 1.00 0.00 C ATOM 441 C TYR A 31 -7.409 -5.674 2.604 1.00 0.00 C ATOM 442 O TYR A 31 -6.967 -6.146 3.659 1.00 0.00 O ATOM 443 CB TYR A 31 -8.575 -3.465 2.679 1.00 0.00 C ATOM 444 CG TYR A 31 -9.737 -2.585 2.208 1.00 0.00 C ATOM 445 CD1 TYR A 31 -10.894 -2.435 2.969 1.00 0.00 C ATOM 446 CD2 TYR A 31 -9.653 -1.868 1.011 1.00 0.00 C ATOM 447 CE1 TYR A 31 -11.925 -1.615 2.545 1.00 0.00 C ATOM 448 CE2 TYR A 31 -10.675 -1.043 0.596 1.00 0.00 C ATOM 449 CZ TYR A 31 -11.806 -0.918 1.365 1.00 0.00 C ATOM 450 OH TYR A 31 -12.819 -0.079 0.957 1.00 0.00 O ATOM 0 HA TYR A 31 -9.286 -5.220 1.606 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.371 -3.234 3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.685 -3.191 2.112 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.988 -2.967 3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.768 -1.963 0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.822 -1.522 3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -10.587 -0.496 -0.331 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.575 0.337 0.104 1.00 0.00 H new ATOM 460 N ALA A 32 -6.749 -5.687 1.454 1.00 0.00 N ATOM 461 CA ALA A 32 -5.371 -6.146 1.297 1.00 0.00 C ATOM 462 C ALA A 32 -4.619 -5.135 0.431 1.00 0.00 C ATOM 463 O ALA A 32 -5.220 -4.215 -0.138 1.00 0.00 O ATOM 464 CB ALA A 32 -5.335 -7.547 0.667 1.00 0.00 C ATOM 0 H ALA A 32 -7.167 -5.370 0.579 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.890 -6.217 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.300 -7.871 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.869 -8.248 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.810 -7.517 -0.313 1.00 0.00 H new ATOM 470 N VAL A 33 -3.313 -5.310 0.352 1.00 0.00 N ATOM 471 CA VAL A 33 -2.434 -4.490 -0.486 1.00 0.00 C ATOM 472 C VAL A 33 -1.552 -5.422 -1.319 1.00 0.00 C ATOM 473 O VAL A 33 -1.288 -6.554 -0.917 1.00 0.00 O ATOM 474 CB VAL A 33 -1.551 -3.529 0.399 1.00 0.00 C ATOM 475 CG1 VAL A 33 -0.660 -4.332 1.368 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.718 -2.545 -0.462 1.00 0.00 C ATOM 0 H VAL A 33 -2.818 -6.034 0.873 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.035 -3.864 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.231 -2.922 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.062 -3.645 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.288 -4.934 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.000 -4.986 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.126 -1.903 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.054 -3.108 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.388 -1.931 -1.064 1.00 0.00 H new ATOM 486 N ALA A 34 -1.142 -4.949 -2.488 1.00 0.00 N ATOM 487 CA ALA A 34 -0.200 -5.645 -3.357 1.00 0.00 C ATOM 488 C ALA A 34 0.958 -4.694 -3.654 1.00 0.00 C ATOM 489 O ALA A 34 0.839 -3.805 -4.492 1.00 0.00 O ATOM 490 CB ALA A 34 -0.902 -6.127 -4.641 1.00 0.00 C ATOM 0 H ALA A 34 -1.459 -4.056 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 34 0.190 -6.537 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.183 -6.644 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.711 -6.809 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.309 -5.270 -5.177 1.00 0.00 H new ATOM 496 N LEU A 35 2.073 -4.885 -2.943 1.00 0.00 N ATOM 497 CA LEU A 35 3.281 -4.082 -3.121 1.00 0.00 C ATOM 498 C LEU A 35 4.123 -4.760 -4.202 1.00 0.00 C ATOM 499 O LEU A 35 4.655 -5.849 -3.968 1.00 0.00 O ATOM 500 CB LEU A 35 4.079 -3.976 -1.798 1.00 0.00 C ATOM 501 CG LEU A 35 5.429 -3.180 -1.893 1.00 0.00 C ATOM 502 CD1 LEU A 35 5.188 -1.677 -2.122 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.313 -3.425 -0.662 1.00 0.00 C ATOM 0 H LEU A 35 2.161 -5.605 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 35 3.018 -3.066 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.447 -3.500 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.294 -4.983 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 35 5.966 -3.558 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.146 -1.160 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.639 -1.534 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.608 -1.271 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.239 -2.859 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.785 -3.103 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.544 -4.488 -0.585 1.00 0.00 H new ATOM 515 N ASN A 36 4.186 -4.121 -5.384 1.00 0.00 N ATOM 516 CA ASN A 36 4.824 -4.669 -6.604 1.00 0.00 C ATOM 517 C ASN A 36 4.223 -6.051 -6.940 1.00 0.00 C ATOM 518 O ASN A 36 4.953 -7.028 -7.146 1.00 0.00 O ATOM 519 CB ASN A 36 6.373 -4.728 -6.457 1.00 0.00 C ATOM 520 CG ASN A 36 6.999 -3.383 -6.075 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.469 -2.319 -6.392 1.00 0.00 O ATOM 522 ND2 ASN A 36 8.134 -3.426 -5.391 1.00 0.00 N ATOM 0 H ASN A 36 3.789 -3.192 -5.525 1.00 0.00 H new ATOM 0 HA ASN A 36 4.616 -3.998 -7.438 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.631 -5.469 -5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.807 -5.069 -7.397 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.594 -2.560 -5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.547 -4.325 -5.144 1.00 0.00 H new ATOM 529 N TYR A 37 2.867 -6.113 -6.913 1.00 0.00 N ATOM 530 CA TYR A 37 2.048 -7.322 -7.227 1.00 0.00 C ATOM 531 C TYR A 37 2.095 -8.404 -6.108 1.00 0.00 C ATOM 532 O TYR A 37 1.304 -9.358 -6.142 1.00 0.00 O ATOM 533 CB TYR A 37 2.401 -7.938 -8.619 1.00 0.00 C ATOM 534 CG TYR A 37 2.157 -6.984 -9.809 1.00 0.00 C ATOM 535 CD1 TYR A 37 3.116 -6.040 -10.193 1.00 0.00 C ATOM 536 CD2 TYR A 37 0.969 -7.025 -10.542 1.00 0.00 C ATOM 537 CE1 TYR A 37 2.908 -5.181 -11.250 1.00 0.00 C ATOM 538 CE2 TYR A 37 0.755 -6.164 -11.604 1.00 0.00 C ATOM 539 CZ TYR A 37 1.726 -5.242 -11.953 1.00 0.00 C ATOM 540 OH TYR A 37 1.511 -4.375 -13.003 1.00 0.00 O ATOM 0 H TYR A 37 2.295 -5.306 -6.667 1.00 0.00 H new ATOM 0 HA TYR A 37 1.019 -6.964 -7.276 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.449 -8.238 -8.617 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.810 -8.842 -8.765 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.045 -5.983 -9.645 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.205 -7.740 -10.276 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.668 -4.464 -11.525 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.170 -6.212 -12.160 1.00 0.00 H new ATOM 0 HH TYR A 37 0.630 -4.548 -13.395 1.00 0.00 H new ATOM 550 N ASP A 38 2.993 -8.245 -5.112 1.00 0.00 N ATOM 551 CA ASP A 38 3.099 -9.169 -3.963 1.00 0.00 C ATOM 552 C ASP A 38 2.075 -8.765 -2.896 1.00 0.00 C ATOM 553 O ASP A 38 2.169 -7.666 -2.339 1.00 0.00 O ATOM 554 CB ASP A 38 4.534 -9.144 -3.367 1.00 0.00 C ATOM 555 CG ASP A 38 4.682 -9.997 -2.085 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.839 -11.230 -2.197 1.00 0.00 O ATOM 557 OD2 ASP A 38 4.625 -9.441 -0.962 1.00 0.00 O ATOM 0 H ASP A 38 3.662 -7.476 -5.082 1.00 0.00 H new ATOM 0 HA ASP A 38 2.893 -10.184 -4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.237 -9.505 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.808 -8.113 -3.142 1.00 0.00 H new ATOM 562 N VAL A 39 1.111 -9.655 -2.616 1.00 0.00 N ATOM 563 CA VAL A 39 0.049 -9.398 -1.640 1.00 0.00 C ATOM 564 C VAL A 39 0.612 -9.481 -0.213 1.00 0.00 C ATOM 565 O VAL A 39 1.083 -10.543 0.215 1.00 0.00 O ATOM 566 CB VAL A 39 -1.146 -10.398 -1.791 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.316 -10.051 -0.826 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.624 -10.451 -3.254 1.00 0.00 C ATOM 0 H VAL A 39 1.048 -10.571 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.330 -8.394 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.788 -11.389 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.125 -10.769 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.963 -10.094 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.681 -9.047 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.455 -11.151 -3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.951 -9.459 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.805 -10.780 -3.893 1.00 0.00 H new ATOM 578 N VAL A 40 0.548 -8.359 0.504 1.00 0.00 N ATOM 579 CA VAL A 40 0.998 -8.246 1.893 1.00 0.00 C ATOM 580 C VAL A 40 -0.244 -8.278 2.820 1.00 0.00 C ATOM 581 O VAL A 40 -1.143 -7.440 2.664 1.00 0.00 O ATOM 582 CB VAL A 40 1.815 -6.919 2.121 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.297 -6.784 3.588 1.00 0.00 C ATOM 584 CG2 VAL A 40 3.011 -6.816 1.129 1.00 0.00 C ATOM 0 H VAL A 40 0.175 -7.487 0.129 1.00 0.00 H new ATOM 0 HA VAL A 40 1.659 -9.081 2.124 1.00 0.00 H new ATOM 0 HB VAL A 40 1.139 -6.087 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.856 -5.856 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.435 -6.773 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.939 -7.628 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.556 -5.890 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.679 -7.665 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.636 -6.822 0.105 1.00 0.00 H new ATOM 594 N PRO A 41 -0.344 -9.282 3.755 1.00 0.00 N ATOM 595 CA PRO A 41 -1.426 -9.337 4.777 1.00 0.00 C ATOM 596 C PRO A 41 -1.204 -8.318 5.927 1.00 0.00 C ATOM 597 O PRO A 41 -0.100 -7.777 6.089 1.00 0.00 O ATOM 598 CB PRO A 41 -1.351 -10.801 5.278 1.00 0.00 C ATOM 599 CG PRO A 41 0.094 -11.176 5.111 1.00 0.00 C ATOM 600 CD PRO A 41 0.565 -10.456 3.861 1.00 0.00 C ATOM 0 HA PRO A 41 -2.403 -9.069 4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.665 -10.882 6.318 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.001 -11.454 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.679 -10.875 5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.209 -12.255 5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.607 -10.147 3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.494 -11.096 2.982 1.00 0.00 H new ATOM 608 N ARG A 42 -2.278 -8.098 6.724 1.00 0.00 N ATOM 609 CA ARG A 42 -2.347 -7.062 7.790 1.00 0.00 C ATOM 610 C ARG A 42 -1.179 -7.137 8.792 1.00 0.00 C ATOM 611 O ARG A 42 -0.628 -6.101 9.196 1.00 0.00 O ATOM 612 CB ARG A 42 -3.690 -7.164 8.569 1.00 0.00 C ATOM 613 CG ARG A 42 -4.955 -7.003 7.703 1.00 0.00 C ATOM 614 CD ARG A 42 -6.246 -7.165 8.524 1.00 0.00 C ATOM 615 NE ARG A 42 -6.284 -8.451 9.264 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.255 -9.385 9.190 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.309 -9.214 8.407 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.155 -10.500 9.905 1.00 0.00 N ATOM 0 H ARG A 42 -3.136 -8.643 6.645 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.278 -6.103 7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.731 -8.131 9.070 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.701 -6.401 9.348 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.947 -6.020 7.231 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.941 -7.742 6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.331 -6.339 9.230 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.107 -7.105 7.859 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.501 -8.647 9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.396 -8.366 7.847 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.034 -9.931 8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.346 -10.648 10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.887 -11.208 9.851 1.00 0.00 H new ATOM 632 N GLY A 43 -0.823 -8.370 9.176 1.00 0.00 N ATOM 633 CA GLY A 43 0.226 -8.628 10.165 1.00 0.00 C ATOM 634 C GLY A 43 1.613 -8.121 9.748 1.00 0.00 C ATOM 635 O GLY A 43 2.488 -7.923 10.604 1.00 0.00 O ATOM 0 H GLY A 43 -1.257 -9.217 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.054 -8.157 11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.282 -9.701 10.349 1.00 0.00 H new ATOM 639 N LYS A 44 1.824 -7.917 8.430 1.00 0.00 N ATOM 640 CA LYS A 44 3.112 -7.444 7.891 1.00 0.00 C ATOM 641 C LYS A 44 3.026 -5.999 7.372 1.00 0.00 C ATOM 642 O LYS A 44 4.062 -5.448 7.036 1.00 0.00 O ATOM 643 CB LYS A 44 3.630 -8.373 6.764 1.00 0.00 C ATOM 644 CG LYS A 44 4.015 -9.799 7.207 1.00 0.00 C ATOM 645 CD LYS A 44 4.849 -10.539 6.128 1.00 0.00 C ATOM 646 CE LYS A 44 4.101 -10.695 4.786 1.00 0.00 C ATOM 647 NZ LYS A 44 5.012 -11.072 3.680 1.00 0.00 N ATOM 0 H LYS A 44 1.112 -8.075 7.717 1.00 0.00 H new ATOM 0 HA LYS A 44 3.819 -7.467 8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.862 -8.445 5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.501 -7.906 6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.586 -9.749 8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.111 -10.369 7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.778 -9.994 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.122 -11.526 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.325 -11.453 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.601 -9.759 4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.468 -11.166 2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.738 -10.337 3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.471 -11.979 3.902 1.00 0.00 H new ATOM 661 N TRP A 45 1.809 -5.389 7.310 1.00 0.00 N ATOM 662 CA TRP A 45 1.641 -3.969 6.859 1.00 0.00 C ATOM 663 C TRP A 45 2.580 -3.030 7.654 1.00 0.00 C ATOM 664 O TRP A 45 3.188 -2.106 7.102 1.00 0.00 O ATOM 665 CB TRP A 45 0.167 -3.475 7.024 1.00 0.00 C ATOM 666 CG TRP A 45 -0.854 -4.061 6.074 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.631 -4.893 5.019 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.271 -3.808 6.081 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.813 -5.210 4.405 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.834 -4.551 5.029 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.114 -3.040 6.887 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -4.197 -4.547 4.753 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.474 -3.031 6.614 1.00 0.00 C ATOM 674 CH2 TRP A 45 -5.006 -3.784 5.556 1.00 0.00 C ATOM 0 H TRP A 45 0.935 -5.850 7.563 1.00 0.00 H new ATOM 0 HA TRP A 45 1.899 -3.941 5.800 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.153 -3.691 8.043 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.156 -2.391 6.910 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.340 -5.252 4.711 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.915 -5.838 3.608 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.714 -2.463 7.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.604 -5.124 3.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.134 -2.435 7.226 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.070 -3.762 5.371 1.00 0.00 H new ATOM 685 N ASP A 46 2.667 -3.310 8.963 1.00 0.00 N ATOM 686 CA ASP A 46 3.540 -2.599 9.922 1.00 0.00 C ATOM 687 C ASP A 46 5.028 -2.785 9.584 1.00 0.00 C ATOM 688 O ASP A 46 5.826 -1.846 9.677 1.00 0.00 O ATOM 689 CB ASP A 46 3.262 -3.129 11.356 1.00 0.00 C ATOM 690 CG ASP A 46 1.792 -2.970 11.781 1.00 0.00 C ATOM 691 OD1 ASP A 46 0.936 -3.742 11.291 1.00 0.00 O ATOM 692 OD2 ASP A 46 1.481 -2.079 12.601 1.00 0.00 O ATOM 0 H ASP A 46 2.122 -4.054 9.399 1.00 0.00 H new ATOM 0 HA ASP A 46 3.315 -1.534 9.860 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.538 -4.182 11.408 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.899 -2.598 12.064 1.00 0.00 H new ATOM 697 N GLU A 47 5.373 -4.022 9.208 1.00 0.00 N ATOM 698 CA GLU A 47 6.756 -4.451 8.923 1.00 0.00 C ATOM 699 C GLU A 47 7.191 -4.123 7.480 1.00 0.00 C ATOM 700 O GLU A 47 8.381 -4.234 7.143 1.00 0.00 O ATOM 701 CB GLU A 47 6.866 -5.978 9.177 1.00 0.00 C ATOM 702 CG GLU A 47 6.400 -6.441 10.571 1.00 0.00 C ATOM 703 CD GLU A 47 7.130 -5.724 11.716 1.00 0.00 C ATOM 704 OE1 GLU A 47 8.305 -6.065 11.987 1.00 0.00 O ATOM 705 OE2 GLU A 47 6.548 -4.804 12.338 1.00 0.00 O ATOM 0 H GLU A 47 4.690 -4.770 9.090 1.00 0.00 H new ATOM 0 HA GLU A 47 7.425 -3.901 9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.278 -6.500 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.904 -6.280 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.328 -6.268 10.666 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.559 -7.516 10.663 1.00 0.00 H new ATOM 712 N THR A 48 6.226 -3.726 6.638 1.00 0.00 N ATOM 713 CA THR A 48 6.456 -3.441 5.221 1.00 0.00 C ATOM 714 C THR A 48 6.513 -1.915 5.024 1.00 0.00 C ATOM 715 O THR A 48 5.509 -1.235 5.265 1.00 0.00 O ATOM 716 CB THR A 48 5.331 -4.071 4.338 1.00 0.00 C ATOM 717 OG1 THR A 48 5.234 -5.469 4.642 1.00 0.00 O ATOM 718 CG2 THR A 48 5.596 -3.901 2.834 1.00 0.00 C ATOM 0 H THR A 48 5.257 -3.594 6.927 1.00 0.00 H new ATOM 0 HA THR A 48 7.402 -3.884 4.911 1.00 0.00 H new ATOM 0 HB THR A 48 4.401 -3.551 4.566 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.826 -5.584 5.526 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.784 -4.357 2.268 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.656 -2.840 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.537 -4.386 2.573 1.00 0.00 H new ATOM 726 N PRO A 49 7.707 -1.341 4.664 1.00 0.00 N ATOM 727 CA PRO A 49 7.833 0.102 4.356 1.00 0.00 C ATOM 728 C PRO A 49 7.275 0.464 2.953 1.00 0.00 C ATOM 729 O PRO A 49 6.864 -0.409 2.176 1.00 0.00 O ATOM 730 CB PRO A 49 9.363 0.343 4.462 1.00 0.00 C ATOM 731 CG PRO A 49 9.979 -0.971 4.073 1.00 0.00 C ATOM 732 CD PRO A 49 9.023 -2.043 4.570 1.00 0.00 C ATOM 0 HA PRO A 49 7.252 0.731 5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.685 1.145 3.798 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.650 0.632 5.473 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.111 -1.036 2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.965 -1.088 4.522 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.977 -2.887 3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.334 -2.438 5.537 1.00 0.00 H new ATOM 740 N VAL A 50 7.245 1.775 2.672 1.00 0.00 N ATOM 741 CA VAL A 50 6.791 2.355 1.392 1.00 0.00 C ATOM 742 C VAL A 50 7.916 3.246 0.828 1.00 0.00 C ATOM 743 O VAL A 50 8.641 3.885 1.605 1.00 0.00 O ATOM 744 CB VAL A 50 5.479 3.203 1.617 1.00 0.00 C ATOM 745 CG1 VAL A 50 4.995 3.887 0.326 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.350 2.346 2.221 1.00 0.00 C ATOM 0 H VAL A 50 7.543 2.482 3.344 1.00 0.00 H new ATOM 0 HA VAL A 50 6.564 1.559 0.683 1.00 0.00 H new ATOM 0 HB VAL A 50 5.740 3.987 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.090 4.458 0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.771 4.558 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.781 3.130 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.462 2.962 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.117 1.523 1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.671 1.946 3.183 1.00 0.00 H new ATOM 756 N THR A 51 8.085 3.260 -0.507 1.00 0.00 N ATOM 757 CA THR A 51 9.045 4.143 -1.208 1.00 0.00 C ATOM 758 C THR A 51 8.434 4.627 -2.539 1.00 0.00 C ATOM 759 O THR A 51 7.604 3.937 -3.140 1.00 0.00 O ATOM 760 CB THR A 51 10.411 3.400 -1.454 1.00 0.00 C ATOM 761 OG1 THR A 51 10.958 2.989 -0.191 1.00 0.00 O ATOM 762 CG2 THR A 51 11.462 4.265 -2.185 1.00 0.00 C ATOM 0 H THR A 51 7.557 2.656 -1.137 1.00 0.00 H new ATOM 0 HA THR A 51 9.248 5.011 -0.580 1.00 0.00 H new ATOM 0 HB THR A 51 10.190 2.548 -2.097 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.808 2.524 -0.338 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.377 3.689 -2.320 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.074 4.563 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.677 5.154 -1.592 1.00 0.00 H new ATOM 770 N ALA A 52 8.825 5.847 -2.966 1.00 0.00 N ATOM 771 CA ALA A 52 8.363 6.457 -4.229 1.00 0.00 C ATOM 772 C ALA A 52 8.666 5.536 -5.438 1.00 0.00 C ATOM 773 O ALA A 52 9.814 5.117 -5.626 1.00 0.00 O ATOM 774 CB ALA A 52 9.015 7.840 -4.434 1.00 0.00 C ATOM 0 H ALA A 52 9.472 6.437 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 52 7.283 6.586 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.662 8.273 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.745 8.496 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.099 7.729 -4.471 1.00 0.00 H new ATOM 780 N GLY A 53 7.628 5.236 -6.238 1.00 0.00 N ATOM 781 CA GLY A 53 7.766 4.418 -7.447 1.00 0.00 C ATOM 782 C GLY A 53 7.078 3.063 -7.367 1.00 0.00 C ATOM 783 O GLY A 53 6.774 2.485 -8.411 1.00 0.00 O ATOM 0 H GLY A 53 6.675 5.554 -6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.358 4.970 -8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.826 4.263 -7.648 1.00 0.00 H new ATOM 787 N ASP A 54 6.827 2.550 -6.143 1.00 0.00 N ATOM 788 CA ASP A 54 6.282 1.180 -5.958 1.00 0.00 C ATOM 789 C ASP A 54 4.828 1.056 -6.436 1.00 0.00 C ATOM 790 O ASP A 54 4.016 1.973 -6.247 1.00 0.00 O ATOM 791 CB ASP A 54 6.393 0.731 -4.482 1.00 0.00 C ATOM 792 CG ASP A 54 7.841 0.479 -4.037 1.00 0.00 C ATOM 793 OD1 ASP A 54 8.476 -0.470 -4.553 1.00 0.00 O ATOM 794 OD2 ASP A 54 8.356 1.215 -3.172 1.00 0.00 O ATOM 0 H ASP A 54 6.990 3.056 -5.273 1.00 0.00 H new ATOM 0 HA ASP A 54 6.890 0.521 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.950 1.494 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.812 -0.180 -4.341 1.00 0.00 H new ATOM 799 N GLU A 55 4.537 -0.108 -7.045 1.00 0.00 N ATOM 800 CA GLU A 55 3.211 -0.474 -7.563 1.00 0.00 C ATOM 801 C GLU A 55 2.330 -0.969 -6.404 1.00 0.00 C ATOM 802 O GLU A 55 2.194 -2.177 -6.185 1.00 0.00 O ATOM 803 CB GLU A 55 3.326 -1.578 -8.673 1.00 0.00 C ATOM 804 CG GLU A 55 3.999 -1.146 -10.009 1.00 0.00 C ATOM 805 CD GLU A 55 5.434 -0.599 -9.861 1.00 0.00 C ATOM 806 OE1 GLU A 55 6.299 -1.305 -9.298 1.00 0.00 O ATOM 807 OE2 GLU A 55 5.696 0.543 -10.300 1.00 0.00 O ATOM 0 H GLU A 55 5.236 -0.836 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 55 2.755 0.406 -8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.887 -2.418 -8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.324 -1.943 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.019 -2.002 -10.683 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.381 -0.383 -10.481 1.00 0.00 H new ATOM 814 N ILE A 56 1.768 -0.016 -5.654 1.00 0.00 N ATOM 815 CA ILE A 56 0.923 -0.300 -4.493 1.00 0.00 C ATOM 816 C ILE A 56 -0.542 -0.387 -4.956 1.00 0.00 C ATOM 817 O ILE A 56 -1.228 0.622 -5.110 1.00 0.00 O ATOM 818 CB ILE A 56 1.108 0.813 -3.394 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.614 0.899 -2.983 1.00 0.00 C ATOM 820 CG2 ILE A 56 0.200 0.572 -2.159 1.00 0.00 C ATOM 821 CD1 ILE A 56 2.943 1.959 -1.954 1.00 0.00 C ATOM 0 H ILE A 56 1.888 0.980 -5.838 1.00 0.00 H new ATOM 0 HA ILE A 56 1.213 -1.251 -4.046 1.00 0.00 H new ATOM 0 HB ILE A 56 0.800 1.767 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.923 -0.071 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.208 1.087 -3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.362 1.364 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.845 0.573 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.444 -0.391 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.011 1.937 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.672 2.940 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.383 1.764 -1.039 1.00 0.00 H new ATOM 833 N GLU A 57 -0.988 -1.617 -5.193 1.00 0.00 N ATOM 834 CA GLU A 57 -2.353 -1.925 -5.622 1.00 0.00 C ATOM 835 C GLU A 57 -3.165 -2.358 -4.399 1.00 0.00 C ATOM 836 O GLU A 57 -2.980 -3.459 -3.892 1.00 0.00 O ATOM 837 CB GLU A 57 -2.321 -3.044 -6.697 1.00 0.00 C ATOM 838 CG GLU A 57 -3.709 -3.527 -7.173 1.00 0.00 C ATOM 839 CD GLU A 57 -3.628 -4.625 -8.243 1.00 0.00 C ATOM 840 OE1 GLU A 57 -3.546 -5.819 -7.888 1.00 0.00 O ATOM 841 OE2 GLU A 57 -3.633 -4.299 -9.451 1.00 0.00 O ATOM 0 H GLU A 57 -0.401 -2.445 -5.091 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.821 -1.046 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.762 -2.683 -7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.773 -3.897 -6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.270 -3.902 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.265 -2.679 -7.572 1.00 0.00 H new ATOM 848 N ILE A 58 -4.060 -1.486 -3.927 1.00 0.00 N ATOM 849 CA ILE A 58 -4.916 -1.792 -2.780 1.00 0.00 C ATOM 850 C ILE A 58 -6.027 -2.728 -3.257 1.00 0.00 C ATOM 851 O ILE A 58 -6.925 -2.313 -3.999 1.00 0.00 O ATOM 852 CB ILE A 58 -5.524 -0.495 -2.145 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.374 0.460 -1.698 1.00 0.00 C ATOM 854 CG2 ILE A 58 -6.480 -0.832 -0.963 1.00 0.00 C ATOM 855 CD1 ILE A 58 -4.841 1.788 -1.138 1.00 0.00 C ATOM 0 H ILE A 58 -4.210 -0.559 -4.324 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.320 -2.270 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.125 0.013 -2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.771 -0.046 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.723 0.649 -2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.883 0.091 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.298 -1.455 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.929 -1.368 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.976 2.387 -0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.417 2.320 -1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.466 1.614 -0.262 1.00 0.00 H new ATOM 867 N LEU A 59 -5.891 -4.002 -2.892 1.00 0.00 N ATOM 868 CA LEU A 59 -6.840 -5.048 -3.243 1.00 0.00 C ATOM 869 C LEU A 59 -8.056 -5.029 -2.311 1.00 0.00 C ATOM 870 O LEU A 59 -7.944 -4.733 -1.117 1.00 0.00 O ATOM 871 CB LEU A 59 -6.138 -6.434 -3.169 1.00 0.00 C ATOM 872 CG LEU A 59 -5.143 -6.751 -4.327 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.320 -8.014 -4.024 1.00 0.00 C ATOM 874 CD2 LEU A 59 -5.899 -6.890 -5.669 1.00 0.00 C ATOM 0 H LEU A 59 -5.105 -4.338 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.191 -4.867 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.599 -6.498 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.905 -7.209 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.446 -5.917 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.636 -8.209 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.750 -7.865 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.991 -8.864 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.189 -7.111 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.625 -7.700 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.417 -5.957 -5.893 1.00 0.00 H new