USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 548 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot 17:sc= 0.751 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.841 K(o=1.6,f=-0.8!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0783 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 30:sc= 0.215 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.563 K(o=-0.56,f=-3.1!) USER MOD Single : A 16 LYS NZ :NH3+ -120:sc= -0.0759 (180deg=-0.293) USER MOD Single : A 18 GLN : amide:sc= -0.432 K(o=-0.43,f=-4.1!) USER MOD Single : A 31 GLN : amide:sc= -0.0924 K(o=-0.092,f=-2.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 74:sc= 0.636 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -161:sc= 1.18 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -114:sc= -0.0321 (180deg=-1.93!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 66 SER OG : rot 48:sc= 0.444 USER MOD Single : A 69 LYS NZ :NH3+ -157:sc= -1.75 (180deg=-2.48!) USER MOD Single : A 70 ASN : amide:sc=0.000934 K(o=0.00093,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -75.786 -19.693 -29.117 1.00 0.00 N ATOM 2 CA GLY A 1 -74.652 -20.199 -28.366 1.00 0.00 C ATOM 3 C GLY A 1 -73.668 -19.107 -27.997 1.00 0.00 C ATOM 4 O GLY A 1 -73.743 -17.993 -28.515 1.00 0.00 O ATOM 0 H1 GLY A 1 -76.647 -19.768 -28.538 1.00 0.00 H new ATOM 0 H2 GLY A 1 -75.621 -18.697 -29.365 1.00 0.00 H new ATOM 0 H3 GLY A 1 -75.904 -20.251 -29.986 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -75.009 -20.684 -27.458 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -74.141 -20.961 -28.955 1.00 0.00 H new ATOM 8 N SER A 2 -72.743 -19.426 -27.097 1.00 0.00 N ATOM 9 CA SER A 2 -71.743 -18.461 -26.655 1.00 0.00 C ATOM 10 C SER A 2 -70.705 -19.128 -25.757 1.00 0.00 C ATOM 11 O SER A 2 -71.035 -19.987 -24.939 1.00 0.00 O ATOM 12 CB SER A 2 -72.412 -17.306 -25.908 1.00 0.00 C ATOM 13 OG SER A 2 -71.508 -16.232 -25.714 1.00 0.00 O ATOM 0 H SER A 2 -72.665 -20.344 -26.660 1.00 0.00 H new ATOM 0 HA SER A 2 -71.238 -18.069 -27.538 1.00 0.00 H new ATOM 0 HB2 SER A 2 -73.279 -16.959 -26.470 1.00 0.00 H new ATOM 0 HB3 SER A 2 -72.778 -17.656 -24.943 1.00 0.00 H new ATOM 0 HG SER A 2 -71.960 -15.506 -25.236 1.00 0.00 H new ATOM 19 N SER A 3 -69.448 -18.726 -25.916 1.00 0.00 N ATOM 20 CA SER A 3 -68.360 -19.287 -25.123 1.00 0.00 C ATOM 21 C SER A 3 -67.110 -18.419 -25.226 1.00 0.00 C ATOM 22 O SER A 3 -67.067 -17.461 -25.997 1.00 0.00 O ATOM 23 CB SER A 3 -68.045 -20.711 -25.585 1.00 0.00 C ATOM 24 OG SER A 3 -67.531 -21.491 -24.519 1.00 0.00 O ATOM 0 H SER A 3 -69.158 -18.014 -26.586 1.00 0.00 H new ATOM 0 HA SER A 3 -68.679 -19.313 -24.081 1.00 0.00 H new ATOM 0 HB2 SER A 3 -68.948 -21.177 -25.978 1.00 0.00 H new ATOM 0 HB3 SER A 3 -67.321 -20.681 -26.400 1.00 0.00 H new ATOM 0 HG SER A 3 -67.339 -22.397 -24.839 1.00 0.00 H new ATOM 30 N GLY A 4 -66.092 -18.761 -24.441 1.00 0.00 N ATOM 31 CA GLY A 4 -64.854 -18.004 -24.458 1.00 0.00 C ATOM 32 C GLY A 4 -63.690 -18.784 -23.880 1.00 0.00 C ATOM 33 O GLY A 4 -63.865 -19.580 -22.958 1.00 0.00 O ATOM 0 H GLY A 4 -66.103 -19.549 -23.794 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -64.621 -17.717 -25.483 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -64.987 -17.083 -23.891 1.00 0.00 H new ATOM 37 N SER A 5 -62.499 -18.555 -24.423 1.00 0.00 N ATOM 38 CA SER A 5 -61.302 -19.246 -23.959 1.00 0.00 C ATOM 39 C SER A 5 -60.057 -18.395 -24.193 1.00 0.00 C ATOM 40 O SER A 5 -60.016 -17.575 -25.111 1.00 0.00 O ATOM 41 CB SER A 5 -61.154 -20.591 -24.672 1.00 0.00 C ATOM 42 OG SER A 5 -61.838 -21.617 -23.973 1.00 0.00 O ATOM 0 H SER A 5 -62.337 -17.896 -25.185 1.00 0.00 H new ATOM 0 HA SER A 5 -61.407 -19.420 -22.888 1.00 0.00 H new ATOM 0 HB2 SER A 5 -61.546 -20.514 -25.686 1.00 0.00 H new ATOM 0 HB3 SER A 5 -60.098 -20.847 -24.757 1.00 0.00 H new ATOM 0 HG SER A 5 -62.609 -21.235 -23.503 1.00 0.00 H new ATOM 48 N SER A 6 -59.045 -18.594 -23.355 1.00 0.00 N ATOM 49 CA SER A 6 -57.800 -17.843 -23.467 1.00 0.00 C ATOM 50 C SER A 6 -56.633 -18.635 -22.885 1.00 0.00 C ATOM 51 O SER A 6 -56.818 -19.717 -22.329 1.00 0.00 O ATOM 52 CB SER A 6 -57.926 -16.497 -22.751 1.00 0.00 C ATOM 53 OG SER A 6 -57.086 -15.523 -23.345 1.00 0.00 O ATOM 0 H SER A 6 -59.063 -19.269 -22.591 1.00 0.00 H new ATOM 0 HA SER A 6 -57.604 -17.667 -24.525 1.00 0.00 H new ATOM 0 HB2 SER A 6 -58.962 -16.159 -22.786 1.00 0.00 H new ATOM 0 HB3 SER A 6 -57.664 -16.615 -21.699 1.00 0.00 H new ATOM 0 HG SER A 6 -57.186 -14.671 -22.870 1.00 0.00 H new ATOM 59 N GLY A 7 -55.429 -18.086 -23.017 1.00 0.00 N ATOM 60 CA GLY A 7 -54.249 -18.754 -22.500 1.00 0.00 C ATOM 61 C GLY A 7 -53.022 -17.864 -22.526 1.00 0.00 C ATOM 62 O GLY A 7 -52.964 -16.898 -23.286 1.00 0.00 O ATOM 0 H GLY A 7 -55.250 -17.191 -23.473 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -54.438 -19.078 -21.477 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -54.056 -19.651 -23.088 1.00 0.00 H new ATOM 66 N MET A 8 -52.039 -18.190 -21.693 1.00 0.00 N ATOM 67 CA MET A 8 -50.807 -17.413 -21.624 1.00 0.00 C ATOM 68 C MET A 8 -49.661 -18.259 -21.079 1.00 0.00 C ATOM 69 O MET A 8 -49.784 -18.884 -20.026 1.00 0.00 O ATOM 70 CB MET A 8 -51.007 -16.177 -20.745 1.00 0.00 C ATOM 71 CG MET A 8 -51.725 -15.038 -21.452 1.00 0.00 C ATOM 72 SD MET A 8 -50.875 -14.506 -22.950 1.00 0.00 S ATOM 73 CE MET A 8 -49.730 -13.301 -22.280 1.00 0.00 C ATOM 0 H MET A 8 -52.072 -18.987 -21.057 1.00 0.00 H new ATOM 0 HA MET A 8 -50.551 -17.094 -22.634 1.00 0.00 H new ATOM 0 HB2 MET A 8 -51.575 -16.460 -19.859 1.00 0.00 H new ATOM 0 HB3 MET A 8 -50.035 -15.825 -20.401 1.00 0.00 H new ATOM 0 HG2 MET A 8 -52.737 -15.353 -21.706 1.00 0.00 H new ATOM 0 HG3 MET A 8 -51.816 -14.192 -20.771 1.00 0.00 H new ATOM 0 HE1 MET A 8 -49.131 -12.881 -23.087 1.00 0.00 H new ATOM 0 HE2 MET A 8 -50.287 -12.503 -21.789 1.00 0.00 H new ATOM 0 HE3 MET A 8 -49.075 -13.785 -21.556 1.00 0.00 H new ATOM 83 N ALA A 9 -48.546 -18.272 -21.802 1.00 0.00 N ATOM 84 CA ALA A 9 -47.377 -19.040 -21.389 1.00 0.00 C ATOM 85 C ALA A 9 -46.245 -18.120 -20.944 1.00 0.00 C ATOM 86 O ALA A 9 -45.541 -17.541 -21.772 1.00 0.00 O ATOM 87 CB ALA A 9 -46.911 -19.943 -22.522 1.00 0.00 C ATOM 0 H ALA A 9 -48.427 -17.760 -22.676 1.00 0.00 H new ATOM 0 HA ALA A 9 -47.662 -19.660 -20.539 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -46.038 -20.510 -22.200 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -47.712 -20.632 -22.791 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -46.649 -19.335 -23.388 1.00 0.00 H new ATOM 93 N SER A 10 -46.076 -17.989 -19.632 1.00 0.00 N ATOM 94 CA SER A 10 -45.032 -17.135 -19.077 1.00 0.00 C ATOM 95 C SER A 10 -44.418 -17.768 -17.832 1.00 0.00 C ATOM 96 O SER A 10 -45.117 -18.373 -17.021 1.00 0.00 O ATOM 97 CB SER A 10 -45.600 -15.756 -18.736 1.00 0.00 C ATOM 98 OG SER A 10 -46.295 -15.783 -17.501 1.00 0.00 O ATOM 0 H SER A 10 -46.648 -18.463 -18.934 1.00 0.00 H new ATOM 0 HA SER A 10 -44.251 -17.022 -19.828 1.00 0.00 H new ATOM 0 HB2 SER A 10 -44.790 -15.028 -18.686 1.00 0.00 H new ATOM 0 HB3 SER A 10 -46.273 -15.430 -19.529 1.00 0.00 H new ATOM 0 HG SER A 10 -46.647 -14.890 -17.304 1.00 0.00 H new ATOM 104 N GLY A 11 -43.104 -17.623 -17.689 1.00 0.00 N ATOM 105 CA GLY A 11 -42.416 -18.185 -16.541 1.00 0.00 C ATOM 106 C GLY A 11 -40.947 -17.814 -16.507 1.00 0.00 C ATOM 107 O GLY A 11 -40.102 -18.560 -17.001 1.00 0.00 O ATOM 0 H GLY A 11 -42.504 -17.126 -18.347 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -42.897 -17.837 -15.627 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -42.513 -19.271 -16.559 1.00 0.00 H new ATOM 111 N GLN A 12 -40.643 -16.659 -15.924 1.00 0.00 N ATOM 112 CA GLN A 12 -39.265 -16.191 -15.831 1.00 0.00 C ATOM 113 C GLN A 12 -38.961 -15.670 -14.430 1.00 0.00 C ATOM 114 O GLN A 12 -39.381 -14.573 -14.060 1.00 0.00 O ATOM 115 CB GLN A 12 -39.006 -15.093 -16.864 1.00 0.00 C ATOM 116 CG GLN A 12 -39.134 -15.569 -18.302 1.00 0.00 C ATOM 117 CD GLN A 12 -38.773 -14.493 -19.307 1.00 0.00 C ATOM 118 OE1 GLN A 12 -37.634 -14.027 -19.353 1.00 0.00 O ATOM 119 NE2 GLN A 12 -39.744 -14.091 -20.119 1.00 0.00 N ATOM 0 H GLN A 12 -41.331 -16.031 -15.509 1.00 0.00 H new ATOM 0 HA GLN A 12 -38.606 -17.035 -16.036 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -39.707 -14.275 -16.697 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -38.005 -14.690 -16.711 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -38.488 -16.434 -18.453 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -40.157 -15.900 -18.481 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -40.674 -14.504 -20.046 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -39.560 -13.369 -20.815 1.00 0.00 H new ATOM 128 N PHE A 13 -38.229 -16.463 -13.654 1.00 0.00 N ATOM 129 CA PHE A 13 -37.870 -16.082 -12.293 1.00 0.00 C ATOM 130 C PHE A 13 -36.356 -16.086 -12.109 1.00 0.00 C ATOM 131 O PHE A 13 -35.774 -17.083 -11.680 1.00 0.00 O ATOM 132 CB PHE A 13 -38.521 -17.033 -11.287 1.00 0.00 C ATOM 133 CG PHE A 13 -39.996 -17.217 -11.502 1.00 0.00 C ATOM 134 CD1 PHE A 13 -40.901 -16.284 -11.022 1.00 0.00 C ATOM 135 CD2 PHE A 13 -40.478 -18.322 -12.184 1.00 0.00 C ATOM 136 CE1 PHE A 13 -42.259 -16.449 -11.218 1.00 0.00 C ATOM 137 CE2 PHE A 13 -41.834 -18.493 -12.384 1.00 0.00 C ATOM 138 CZ PHE A 13 -42.726 -17.556 -11.899 1.00 0.00 C ATOM 0 H PHE A 13 -37.873 -17.374 -13.945 1.00 0.00 H new ATOM 0 HA PHE A 13 -38.236 -15.071 -12.116 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -38.030 -18.004 -11.347 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -38.354 -16.653 -10.279 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -40.541 -15.417 -10.488 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -39.785 -19.059 -12.564 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -42.954 -15.714 -10.839 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -42.197 -19.358 -12.919 1.00 0.00 H new ATOM 0 HZ PHE A 13 -43.787 -17.689 -12.052 1.00 0.00 H new ATOM 148 N VAL A 14 -35.723 -14.964 -12.437 1.00 0.00 N ATOM 149 CA VAL A 14 -34.276 -14.837 -12.308 1.00 0.00 C ATOM 150 C VAL A 14 -33.904 -13.613 -11.479 1.00 0.00 C ATOM 151 O VAL A 14 -33.698 -12.526 -12.016 1.00 0.00 O ATOM 152 CB VAL A 14 -33.596 -14.736 -13.686 1.00 0.00 C ATOM 153 CG1 VAL A 14 -33.709 -16.055 -14.436 1.00 0.00 C ATOM 154 CG2 VAL A 14 -34.200 -13.599 -14.496 1.00 0.00 C ATOM 0 H VAL A 14 -36.189 -14.130 -12.794 1.00 0.00 H new ATOM 0 HA VAL A 14 -33.923 -15.736 -11.802 1.00 0.00 H new ATOM 0 HB VAL A 14 -32.538 -14.522 -13.535 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -33.223 -15.964 -15.407 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -33.225 -16.844 -13.860 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -34.761 -16.304 -14.579 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -33.708 -13.542 -15.467 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -35.265 -13.780 -14.640 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -34.061 -12.658 -13.963 1.00 0.00 H new ATOM 164 N ASN A 15 -33.818 -13.798 -10.165 1.00 0.00 N ATOM 165 CA ASN A 15 -33.470 -12.709 -9.261 1.00 0.00 C ATOM 166 C ASN A 15 -32.032 -12.846 -8.772 1.00 0.00 C ATOM 167 O ASN A 15 -31.773 -13.447 -7.729 1.00 0.00 O ATOM 168 CB ASN A 15 -34.427 -12.685 -8.067 1.00 0.00 C ATOM 169 CG ASN A 15 -34.382 -13.970 -7.264 1.00 0.00 C ATOM 170 OD1 ASN A 15 -34.721 -15.042 -7.768 1.00 0.00 O ATOM 171 ND2 ASN A 15 -33.963 -13.870 -6.008 1.00 0.00 N ATOM 0 H ASN A 15 -33.985 -14.692 -9.703 1.00 0.00 H new ATOM 0 HA ASN A 15 -33.560 -11.771 -9.810 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -34.174 -11.846 -7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -35.444 -12.518 -8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -33.912 -14.702 -5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -33.692 -12.962 -5.632 1.00 0.00 H new ATOM 178 N LYS A 16 -31.098 -12.283 -9.532 1.00 0.00 N ATOM 179 CA LYS A 16 -29.685 -12.340 -9.176 1.00 0.00 C ATOM 180 C LYS A 16 -29.039 -10.963 -9.296 1.00 0.00 C ATOM 181 O LYS A 16 -29.666 -10.010 -9.759 1.00 0.00 O ATOM 182 CB LYS A 16 -28.952 -13.339 -10.074 1.00 0.00 C ATOM 183 CG LYS A 16 -28.927 -14.752 -9.517 1.00 0.00 C ATOM 184 CD LYS A 16 -30.129 -15.557 -9.983 1.00 0.00 C ATOM 185 CE LYS A 16 -29.879 -16.195 -11.341 1.00 0.00 C ATOM 186 NZ LYS A 16 -31.150 -16.571 -12.019 1.00 0.00 N ATOM 0 H LYS A 16 -31.294 -11.782 -10.398 1.00 0.00 H new ATOM 0 HA LYS A 16 -29.609 -12.669 -8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -29.429 -13.352 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -27.928 -12.998 -10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -28.010 -15.251 -9.830 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -28.913 -14.714 -8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -30.355 -16.333 -9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -31.003 -14.908 -10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -29.323 -15.501 -11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -29.257 -17.082 -11.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -31.160 -17.596 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -31.956 -16.315 -11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -31.223 -16.065 -12.925 1.00 0.00 H new ATOM 200 N LEU A 17 -27.781 -10.867 -8.879 1.00 0.00 N ATOM 201 CA LEU A 17 -27.049 -9.607 -8.941 1.00 0.00 C ATOM 202 C LEU A 17 -25.750 -9.771 -9.724 1.00 0.00 C ATOM 203 O LEU A 17 -25.382 -10.881 -10.108 1.00 0.00 O ATOM 204 CB LEU A 17 -26.747 -9.100 -7.530 1.00 0.00 C ATOM 205 CG LEU A 17 -25.889 -10.016 -6.657 1.00 0.00 C ATOM 206 CD1 LEU A 17 -24.412 -9.708 -6.848 1.00 0.00 C ATOM 207 CD2 LEU A 17 -26.280 -9.876 -5.192 1.00 0.00 C ATOM 0 H LEU A 17 -27.247 -11.646 -8.495 1.00 0.00 H new ATOM 0 HA LEU A 17 -27.673 -8.877 -9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -26.246 -8.135 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -27.693 -8.925 -7.018 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.066 -11.047 -6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -23.818 -10.370 -6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -24.141 -9.861 -7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -24.217 -8.672 -6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -25.659 -10.535 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.133 -8.844 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -27.328 -10.148 -5.067 1.00 0.00 H new ATOM 219 N GLN A 18 -25.060 -8.658 -9.955 1.00 0.00 N ATOM 220 CA GLN A 18 -23.801 -8.679 -10.691 1.00 0.00 C ATOM 221 C GLN A 18 -22.622 -8.417 -9.760 1.00 0.00 C ATOM 222 O GLN A 18 -22.166 -7.282 -9.626 1.00 0.00 O ATOM 223 CB GLN A 18 -23.824 -7.638 -11.811 1.00 0.00 C ATOM 224 CG GLN A 18 -24.931 -7.862 -12.828 1.00 0.00 C ATOM 225 CD GLN A 18 -26.228 -7.181 -12.437 1.00 0.00 C ATOM 226 OE1 GLN A 18 -26.354 -6.646 -11.335 1.00 0.00 O ATOM 227 NE2 GLN A 18 -27.201 -7.197 -13.340 1.00 0.00 N ATOM 0 H GLN A 18 -25.351 -7.731 -9.643 1.00 0.00 H new ATOM 0 HA GLN A 18 -23.681 -9.670 -11.129 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -23.940 -6.647 -11.372 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -22.863 -7.648 -12.325 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -24.608 -7.489 -13.800 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -25.106 -8.932 -12.939 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -27.053 -7.652 -14.241 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -28.096 -6.754 -13.133 1.00 0.00 H new ATOM 236 N GLU A 19 -22.134 -9.474 -9.119 1.00 0.00 N ATOM 237 CA GLU A 19 -21.008 -9.356 -8.199 1.00 0.00 C ATOM 238 C GLU A 19 -19.802 -8.731 -8.893 1.00 0.00 C ATOM 239 O GLU A 19 -19.219 -9.324 -9.800 1.00 0.00 O ATOM 240 CB GLU A 19 -20.633 -10.730 -7.639 1.00 0.00 C ATOM 241 CG GLU A 19 -20.295 -11.753 -8.711 1.00 0.00 C ATOM 242 CD GLU A 19 -18.827 -11.741 -9.087 1.00 0.00 C ATOM 243 OE1 GLU A 19 -18.013 -11.228 -8.290 1.00 0.00 O ATOM 244 OE2 GLU A 19 -18.491 -12.244 -10.180 1.00 0.00 O ATOM 0 H GLU A 19 -22.500 -10.421 -9.219 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.309 -8.706 -7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.778 -10.620 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -21.461 -11.106 -7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -20.567 -12.747 -8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -20.895 -11.555 -9.599 1.00 0.00 H new ATOM 251 N GLU A 20 -19.435 -7.529 -8.460 1.00 0.00 N ATOM 252 CA GLU A 20 -18.299 -6.823 -9.041 1.00 0.00 C ATOM 253 C GLU A 20 -17.246 -6.519 -7.978 1.00 0.00 C ATOM 254 O GLU A 20 -17.561 -6.006 -6.904 1.00 0.00 O ATOM 255 CB GLU A 20 -18.762 -5.523 -9.702 1.00 0.00 C ATOM 256 CG GLU A 20 -19.737 -5.736 -10.848 1.00 0.00 C ATOM 257 CD GLU A 20 -19.683 -4.622 -11.875 1.00 0.00 C ATOM 258 OE1 GLU A 20 -19.280 -3.498 -11.510 1.00 0.00 O ATOM 259 OE2 GLU A 20 -20.043 -4.875 -13.043 1.00 0.00 O ATOM 0 H GLU A 20 -19.907 -7.024 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.852 -7.468 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -19.232 -4.890 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.891 -4.984 -10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.517 -6.686 -11.336 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -20.749 -5.809 -10.450 1.00 0.00 H new ATOM 266 N VAL A 21 -15.993 -6.839 -8.287 1.00 0.00 N ATOM 267 CA VAL A 21 -14.893 -6.601 -7.360 1.00 0.00 C ATOM 268 C VAL A 21 -14.826 -5.133 -6.953 1.00 0.00 C ATOM 269 O VAL A 21 -14.893 -4.240 -7.798 1.00 0.00 O ATOM 270 CB VAL A 21 -13.543 -7.014 -7.974 1.00 0.00 C ATOM 271 CG1 VAL A 21 -13.113 -6.017 -9.039 1.00 0.00 C ATOM 272 CG2 VAL A 21 -12.482 -7.140 -6.891 1.00 0.00 C ATOM 0 H VAL A 21 -15.715 -7.263 -9.172 1.00 0.00 H new ATOM 0 HA VAL A 21 -15.084 -7.212 -6.478 1.00 0.00 H new ATOM 0 HB VAL A 21 -13.663 -7.988 -8.449 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.157 -6.326 -9.461 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.864 -5.981 -9.828 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.010 -5.028 -8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.534 -7.433 -7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.363 -6.182 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -12.788 -7.896 -6.168 1.00 0.00 H new ATOM 282 N ILE A 22 -14.693 -4.891 -5.653 1.00 0.00 N ATOM 283 CA ILE A 22 -14.615 -3.531 -5.134 1.00 0.00 C ATOM 284 C ILE A 22 -13.237 -3.246 -4.545 1.00 0.00 C ATOM 285 O ILE A 22 -12.526 -4.161 -4.130 1.00 0.00 O ATOM 286 CB ILE A 22 -15.685 -3.278 -4.056 1.00 0.00 C ATOM 287 CG1 ILE A 22 -17.052 -3.764 -4.540 1.00 0.00 C ATOM 288 CG2 ILE A 22 -15.738 -1.799 -3.700 1.00 0.00 C ATOM 289 CD1 ILE A 22 -18.089 -3.842 -3.441 1.00 0.00 C ATOM 0 H ILE A 22 -14.637 -5.619 -4.940 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.793 -2.861 -5.975 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.417 -3.838 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -17.411 -3.094 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -16.939 -4.749 -4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.499 -1.635 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.767 -1.482 -3.319 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.986 -1.219 -4.589 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -19.033 -4.194 -3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -17.751 -4.535 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -18.231 -2.854 -3.004 1.00 0.00 H new ATOM 301 N CYS A 23 -12.868 -1.970 -4.509 1.00 0.00 N ATOM 302 CA CYS A 23 -11.577 -1.562 -3.969 1.00 0.00 C ATOM 303 C CYS A 23 -11.584 -1.615 -2.443 1.00 0.00 C ATOM 304 O CYS A 23 -12.368 -0.938 -1.778 1.00 0.00 O ATOM 305 CB CYS A 23 -11.226 -0.149 -4.440 1.00 0.00 C ATOM 306 SG CYS A 23 -9.446 0.234 -4.381 1.00 0.00 S ATOM 0 H CYS A 23 -13.445 -1.200 -4.848 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.822 -2.257 -4.336 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.581 -0.020 -5.463 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.762 0.572 -3.823 1.00 0.00 H new ATOM 311 N PRO A 24 -10.690 -2.438 -1.876 1.00 0.00 N ATOM 312 CA PRO A 24 -10.572 -2.598 -0.423 1.00 0.00 C ATOM 313 C PRO A 24 -10.004 -1.355 0.253 1.00 0.00 C ATOM 314 O PRO A 24 -9.758 -1.351 1.460 1.00 0.00 O ATOM 315 CB PRO A 24 -9.607 -3.776 -0.273 1.00 0.00 C ATOM 316 CG PRO A 24 -8.803 -3.769 -1.527 1.00 0.00 C ATOM 317 CD PRO A 24 -9.724 -3.274 -2.608 1.00 0.00 C ATOM 0 HA PRO A 24 -11.541 -2.760 0.049 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.972 -3.658 0.605 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.145 -4.716 -0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.933 -3.120 -1.429 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.432 -4.767 -1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.186 -2.700 -3.362 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.216 -4.098 -3.125 1.00 0.00 H new ATOM 325 N ILE A 25 -9.799 -0.302 -0.531 1.00 0.00 N ATOM 326 CA ILE A 25 -9.261 0.947 -0.006 1.00 0.00 C ATOM 327 C ILE A 25 -10.318 2.047 -0.014 1.00 0.00 C ATOM 328 O ILE A 25 -10.513 2.742 0.983 1.00 0.00 O ATOM 329 CB ILE A 25 -8.040 1.419 -0.817 1.00 0.00 C ATOM 330 CG1 ILE A 25 -6.920 0.378 -0.746 1.00 0.00 C ATOM 331 CG2 ILE A 25 -7.551 2.765 -0.304 1.00 0.00 C ATOM 332 CD1 ILE A 25 -5.689 0.760 -1.537 1.00 0.00 C ATOM 0 H ILE A 25 -9.997 -0.289 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.951 0.750 1.020 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.338 1.535 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.640 0.228 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.298 -0.576 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.688 3.085 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.348 3.503 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.267 2.673 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.937 -0.023 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.955 0.882 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.287 1.698 -1.154 1.00 0.00 H new ATOM 344 N CYS A 26 -10.998 2.197 -1.146 1.00 0.00 N ATOM 345 CA CYS A 26 -12.037 3.211 -1.285 1.00 0.00 C ATOM 346 C CYS A 26 -13.411 2.565 -1.438 1.00 0.00 C ATOM 347 O CYS A 26 -14.394 3.237 -1.752 1.00 0.00 O ATOM 348 CB CYS A 26 -11.746 4.108 -2.490 1.00 0.00 C ATOM 349 SG CYS A 26 -11.587 3.207 -4.065 1.00 0.00 S ATOM 0 H CYS A 26 -10.848 1.629 -1.980 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.039 3.819 -0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.545 4.844 -2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.825 4.660 -2.305 1.00 0.00 H new ATOM 354 N LEU A 27 -13.471 1.257 -1.214 1.00 0.00 N ATOM 355 CA LEU A 27 -14.724 0.518 -1.326 1.00 0.00 C ATOM 356 C LEU A 27 -15.527 0.989 -2.535 1.00 0.00 C ATOM 357 O LEU A 27 -16.757 1.021 -2.502 1.00 0.00 O ATOM 358 CB LEU A 27 -15.554 0.687 -0.052 1.00 0.00 C ATOM 359 CG LEU A 27 -14.837 0.375 1.262 1.00 0.00 C ATOM 360 CD1 LEU A 27 -15.710 0.752 2.449 1.00 0.00 C ATOM 361 CD2 LEU A 27 -14.455 -1.097 1.325 1.00 0.00 C ATOM 0 H LEU A 27 -12.667 0.686 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.485 -0.537 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.915 1.715 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.431 0.044 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.924 0.969 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.183 0.523 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.933 1.818 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.640 0.185 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.946 -1.301 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.354 -1.709 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.791 -1.336 0.494 1.00 0.00 H new ATOM 373 N ASP A 28 -14.822 1.350 -3.602 1.00 0.00 N ATOM 374 CA ASP A 28 -15.469 1.815 -4.823 1.00 0.00 C ATOM 375 C ASP A 28 -15.287 0.806 -5.953 1.00 0.00 C ATOM 376 O ASP A 28 -14.243 0.162 -6.061 1.00 0.00 O ATOM 377 CB ASP A 28 -14.902 3.173 -5.241 1.00 0.00 C ATOM 378 CG ASP A 28 -15.507 3.680 -6.535 1.00 0.00 C ATOM 379 OD1 ASP A 28 -16.616 3.228 -6.889 1.00 0.00 O ATOM 380 OD2 ASP A 28 -14.873 4.531 -7.193 1.00 0.00 O ATOM 0 H ASP A 28 -13.803 1.329 -3.646 1.00 0.00 H new ATOM 0 HA ASP A 28 -16.535 1.921 -4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -15.085 3.899 -4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.821 3.092 -5.356 1.00 0.00 H new ATOM 385 N ILE A 29 -16.310 0.672 -6.790 1.00 0.00 N ATOM 386 CA ILE A 29 -16.263 -0.259 -7.911 1.00 0.00 C ATOM 387 C ILE A 29 -14.941 -0.148 -8.662 1.00 0.00 C ATOM 388 O ILE A 29 -14.748 0.761 -9.471 1.00 0.00 O ATOM 389 CB ILE A 29 -17.422 -0.015 -8.895 1.00 0.00 C ATOM 390 CG1 ILE A 29 -18.767 -0.171 -8.182 1.00 0.00 C ATOM 391 CG2 ILE A 29 -17.327 -0.972 -10.073 1.00 0.00 C ATOM 392 CD1 ILE A 29 -19.911 0.515 -8.894 1.00 0.00 C ATOM 0 H ILE A 29 -17.182 1.196 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.358 -1.261 -7.493 1.00 0.00 H new ATOM 0 HB ILE A 29 -17.349 1.005 -9.274 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.996 -1.232 -8.083 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -18.683 0.233 -7.173 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.153 -0.787 -10.760 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.382 -0.817 -10.593 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.378 -1.999 -9.712 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.833 0.363 -8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.704 1.583 -8.970 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -20.022 0.095 -9.894 1.00 0.00 H new ATOM 404 N LEU A 30 -14.032 -1.078 -8.391 1.00 0.00 N ATOM 405 CA LEU A 30 -12.728 -1.087 -9.044 1.00 0.00 C ATOM 406 C LEU A 30 -12.876 -1.026 -10.560 1.00 0.00 C ATOM 407 O LEU A 30 -13.240 -2.014 -11.198 1.00 0.00 O ATOM 408 CB LEU A 30 -11.945 -2.340 -8.647 1.00 0.00 C ATOM 409 CG LEU A 30 -11.092 -2.227 -7.383 1.00 0.00 C ATOM 410 CD1 LEU A 30 -10.843 -3.602 -6.782 1.00 0.00 C ATOM 411 CD2 LEU A 30 -9.775 -1.530 -7.689 1.00 0.00 C ATOM 0 H LEU A 30 -14.174 -1.836 -7.723 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.180 -0.204 -8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.652 -3.158 -8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.294 -2.615 -9.477 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.636 -1.628 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.234 -3.502 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.796 -4.065 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.320 -4.226 -7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.181 -1.458 -6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.226 -2.102 -8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.974 -0.529 -8.072 1.00 0.00 H new ATOM 423 N GLN A 31 -12.591 0.140 -11.131 1.00 0.00 N ATOM 424 CA GLN A 31 -12.692 0.329 -12.573 1.00 0.00 C ATOM 425 C GLN A 31 -11.447 -0.195 -13.280 1.00 0.00 C ATOM 426 O GLN A 31 -11.528 -0.745 -14.378 1.00 0.00 O ATOM 427 CB GLN A 31 -12.894 1.809 -12.902 1.00 0.00 C ATOM 428 CG GLN A 31 -13.079 2.083 -14.386 1.00 0.00 C ATOM 429 CD GLN A 31 -14.485 1.780 -14.865 1.00 0.00 C ATOM 430 OE1 GLN A 31 -15.228 1.041 -14.217 1.00 0.00 O ATOM 431 NE2 GLN A 31 -14.859 2.350 -16.004 1.00 0.00 N ATOM 0 H GLN A 31 -12.288 0.968 -10.617 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.554 -0.236 -12.928 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.766 2.177 -12.362 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.034 2.373 -12.541 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.847 3.128 -14.590 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.369 1.482 -14.954 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.211 2.955 -16.508 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.794 2.183 -16.375 1.00 0.00 H new ATOM 440 N LYS A 32 -10.294 -0.022 -12.642 1.00 0.00 N ATOM 441 CA LYS A 32 -9.030 -0.478 -13.207 1.00 0.00 C ATOM 442 C LYS A 32 -8.241 -1.294 -12.188 1.00 0.00 C ATOM 443 O LYS A 32 -7.365 -0.782 -11.491 1.00 0.00 O ATOM 444 CB LYS A 32 -8.196 0.717 -13.675 1.00 0.00 C ATOM 445 CG LYS A 32 -8.857 1.525 -14.778 1.00 0.00 C ATOM 446 CD LYS A 32 -9.708 2.649 -14.212 1.00 0.00 C ATOM 447 CE LYS A 32 -9.759 3.840 -15.157 1.00 0.00 C ATOM 448 NZ LYS A 32 -8.521 4.663 -15.078 1.00 0.00 N ATOM 0 H LYS A 32 -10.209 0.431 -11.732 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.253 -1.115 -14.063 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.002 1.370 -12.824 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.229 0.359 -14.028 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.092 1.941 -15.434 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.478 0.869 -15.389 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.719 2.285 -14.029 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.304 2.964 -13.250 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.896 3.487 -16.179 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.623 4.459 -14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.594 5.465 -15.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.403 5.021 -14.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.699 4.079 -15.334 1.00 0.00 H new ATOM 462 N PRO A 33 -8.555 -2.595 -12.100 1.00 0.00 N ATOM 463 CA PRO A 33 -7.886 -3.510 -11.170 1.00 0.00 C ATOM 464 C PRO A 33 -6.440 -3.786 -11.569 1.00 0.00 C ATOM 465 O PRO A 33 -6.177 -4.379 -12.615 1.00 0.00 O ATOM 466 CB PRO A 33 -8.721 -4.789 -11.268 1.00 0.00 C ATOM 467 CG PRO A 33 -9.347 -4.731 -12.618 1.00 0.00 C ATOM 468 CD PRO A 33 -9.589 -3.274 -12.900 1.00 0.00 C ATOM 0 HA PRO A 33 -7.830 -3.098 -10.162 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.099 -5.677 -11.158 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.476 -4.830 -10.483 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.693 -5.171 -13.371 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.281 -5.293 -12.640 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.488 -3.048 -13.962 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.592 -2.968 -12.603 1.00 0.00 H new ATOM 476 N VAL A 34 -5.506 -3.352 -10.729 1.00 0.00 N ATOM 477 CA VAL A 34 -4.086 -3.554 -10.994 1.00 0.00 C ATOM 478 C VAL A 34 -3.495 -4.597 -10.052 1.00 0.00 C ATOM 479 O VAL A 34 -3.327 -4.349 -8.858 1.00 0.00 O ATOM 480 CB VAL A 34 -3.296 -2.240 -10.848 1.00 0.00 C ATOM 481 CG1 VAL A 34 -1.808 -2.487 -11.048 1.00 0.00 C ATOM 482 CG2 VAL A 34 -3.809 -1.199 -11.831 1.00 0.00 C ATOM 0 H VAL A 34 -5.707 -2.858 -9.859 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.002 -3.907 -12.022 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.444 -1.857 -9.838 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.266 -1.548 -10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.454 -3.198 -10.301 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.637 -2.893 -12.045 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.240 -0.277 -11.714 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.692 -1.571 -12.849 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.863 -1.002 -11.635 1.00 0.00 H new ATOM 492 N THR A 35 -3.179 -5.768 -10.598 1.00 0.00 N ATOM 493 CA THR A 35 -2.607 -6.850 -9.807 1.00 0.00 C ATOM 494 C THR A 35 -1.098 -6.687 -9.663 1.00 0.00 C ATOM 495 O THR A 35 -0.361 -6.748 -10.648 1.00 0.00 O ATOM 496 CB THR A 35 -2.906 -8.224 -10.436 1.00 0.00 C ATOM 497 OG1 THR A 35 -4.321 -8.434 -10.505 1.00 0.00 O ATOM 498 CG2 THR A 35 -2.261 -9.340 -9.628 1.00 0.00 C ATOM 0 H THR A 35 -3.310 -5.990 -11.585 1.00 0.00 H new ATOM 0 HA THR A 35 -3.071 -6.801 -8.822 1.00 0.00 H new ATOM 0 HB THR A 35 -2.488 -8.237 -11.443 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.785 -7.577 -10.397 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.486 -10.301 -10.091 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.181 -9.193 -9.602 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.653 -9.327 -8.611 1.00 0.00 H new ATOM 506 N ILE A 36 -0.644 -6.481 -8.432 1.00 0.00 N ATOM 507 CA ILE A 36 0.778 -6.312 -8.160 1.00 0.00 C ATOM 508 C ILE A 36 1.417 -7.630 -7.736 1.00 0.00 C ATOM 509 O ILE A 36 0.767 -8.675 -7.734 1.00 0.00 O ATOM 510 CB ILE A 36 1.019 -5.260 -7.061 1.00 0.00 C ATOM 511 CG1 ILE A 36 0.176 -5.578 -5.825 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.701 -3.867 -7.583 1.00 0.00 C ATOM 513 CD1 ILE A 36 0.383 -4.607 -4.685 1.00 0.00 C ATOM 0 H ILE A 36 -1.241 -6.427 -7.606 1.00 0.00 H new ATOM 0 HA ILE A 36 1.239 -5.970 -9.087 1.00 0.00 H new ATOM 0 HB ILE A 36 2.071 -5.288 -6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.878 -5.578 -6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.415 -6.585 -5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.876 -3.134 -6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.342 -3.643 -8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.343 -3.824 -7.893 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.247 -4.895 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.429 -4.624 -4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.116 -3.602 -5.011 1.00 0.00 H new ATOM 525 N ASP A 37 2.694 -7.572 -7.376 1.00 0.00 N ATOM 526 CA ASP A 37 3.422 -8.760 -6.946 1.00 0.00 C ATOM 527 C ASP A 37 2.659 -9.499 -5.851 1.00 0.00 C ATOM 528 O ASP A 37 2.536 -10.724 -5.883 1.00 0.00 O ATOM 529 CB ASP A 37 4.816 -8.378 -6.445 1.00 0.00 C ATOM 530 CG ASP A 37 5.819 -9.503 -6.610 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.755 -10.475 -5.828 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.668 -9.411 -7.521 1.00 0.00 O ATOM 0 H ASP A 37 3.247 -6.715 -7.373 1.00 0.00 H new ATOM 0 HA ASP A 37 3.523 -9.424 -7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.166 -7.500 -6.988 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.757 -8.099 -5.393 1.00 0.00 H new ATOM 537 N CYS A 38 2.150 -8.746 -4.882 1.00 0.00 N ATOM 538 CA CYS A 38 1.400 -9.328 -3.775 1.00 0.00 C ATOM 539 C CYS A 38 0.155 -10.050 -4.282 1.00 0.00 C ATOM 540 O CYS A 38 -0.309 -11.012 -3.672 1.00 0.00 O ATOM 541 CB CYS A 38 1.002 -8.241 -2.774 1.00 0.00 C ATOM 542 SG CYS A 38 -0.613 -7.471 -3.117 1.00 0.00 S ATOM 0 H CYS A 38 2.243 -7.731 -4.841 1.00 0.00 H new ATOM 0 HA CYS A 38 2.041 -10.054 -3.276 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.981 -8.673 -1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.769 -7.466 -2.771 1.00 0.00 H new ATOM 547 N GLY A 39 -0.382 -9.577 -5.403 1.00 0.00 N ATOM 548 CA GLY A 39 -1.568 -10.189 -5.973 1.00 0.00 C ATOM 549 C GLY A 39 -2.799 -9.318 -5.821 1.00 0.00 C ATOM 550 O GLY A 39 -3.538 -9.101 -6.782 1.00 0.00 O ATOM 0 H GLY A 39 -0.017 -8.781 -5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.397 -10.390 -7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.745 -11.150 -5.491 1.00 0.00 H new ATOM 554 N HIS A 40 -3.023 -8.817 -4.610 1.00 0.00 N ATOM 555 CA HIS A 40 -4.175 -7.966 -4.335 1.00 0.00 C ATOM 556 C HIS A 40 -4.395 -6.967 -5.468 1.00 0.00 C ATOM 557 O HIS A 40 -3.440 -6.460 -6.054 1.00 0.00 O ATOM 558 CB HIS A 40 -3.982 -7.221 -3.013 1.00 0.00 C ATOM 559 CG HIS A 40 -3.876 -8.127 -1.826 1.00 0.00 C ATOM 560 ND1 HIS A 40 -3.235 -7.767 -0.659 1.00 0.00 N ATOM 561 CD2 HIS A 40 -4.336 -9.385 -1.628 1.00 0.00 C ATOM 562 CE1 HIS A 40 -3.304 -8.765 0.205 1.00 0.00 C ATOM 563 NE2 HIS A 40 -3.967 -9.758 -0.359 1.00 0.00 N ATOM 0 H HIS A 40 -2.422 -8.986 -3.804 1.00 0.00 H new ATOM 0 HA HIS A 40 -5.056 -8.603 -4.259 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.080 -6.612 -3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.818 -6.538 -2.865 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -4.890 -9.983 -2.336 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.889 -8.768 1.202 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -4.172 -10.657 0.077 1.00 0.00 H new ATOM 571 N ASN A 41 -5.659 -6.691 -5.769 1.00 0.00 N ATOM 572 CA ASN A 41 -6.004 -5.755 -6.833 1.00 0.00 C ATOM 573 C ASN A 41 -6.489 -4.429 -6.254 1.00 0.00 C ATOM 574 O ASN A 41 -7.330 -4.402 -5.355 1.00 0.00 O ATOM 575 CB ASN A 41 -7.082 -6.353 -7.738 1.00 0.00 C ATOM 576 CG ASN A 41 -6.514 -7.341 -8.739 1.00 0.00 C ATOM 577 OD1 ASN A 41 -6.183 -6.977 -9.867 1.00 0.00 O ATOM 578 ND2 ASN A 41 -6.399 -8.599 -8.328 1.00 0.00 N ATOM 0 H ASN A 41 -6.461 -7.102 -5.292 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.107 -5.568 -7.423 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.832 -6.852 -7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.590 -5.550 -8.272 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.023 -9.309 -8.957 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.686 -8.855 -7.383 1.00 0.00 H new ATOM 585 N PHE A 42 -5.953 -3.331 -6.775 1.00 0.00 N ATOM 586 CA PHE A 42 -6.331 -2.001 -6.310 1.00 0.00 C ATOM 587 C PHE A 42 -6.780 -1.124 -7.476 1.00 0.00 C ATOM 588 O PHE A 42 -6.645 -1.502 -8.640 1.00 0.00 O ATOM 589 CB PHE A 42 -5.158 -1.340 -5.582 1.00 0.00 C ATOM 590 CG PHE A 42 -4.744 -2.064 -4.333 1.00 0.00 C ATOM 591 CD1 PHE A 42 -5.612 -2.172 -3.259 1.00 0.00 C ATOM 592 CD2 PHE A 42 -3.485 -2.634 -4.233 1.00 0.00 C ATOM 593 CE1 PHE A 42 -5.234 -2.838 -2.108 1.00 0.00 C ATOM 594 CE2 PHE A 42 -3.102 -3.301 -3.085 1.00 0.00 C ATOM 595 CZ PHE A 42 -3.977 -3.402 -2.021 1.00 0.00 C ATOM 0 H PHE A 42 -5.256 -3.335 -7.519 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.166 -2.109 -5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.306 -1.283 -6.259 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.430 -0.316 -5.326 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.596 -1.731 -3.321 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.796 -2.556 -5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.921 -2.917 -1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.119 -3.743 -3.020 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.678 -3.921 -1.122 1.00 0.00 H new ATOM 605 N CYS A 43 -7.314 0.049 -7.154 1.00 0.00 N ATOM 606 CA CYS A 43 -7.785 0.980 -8.172 1.00 0.00 C ATOM 607 C CYS A 43 -6.779 2.109 -8.384 1.00 0.00 C ATOM 608 O CYS A 43 -6.250 2.671 -7.424 1.00 0.00 O ATOM 609 CB CYS A 43 -9.143 1.561 -7.774 1.00 0.00 C ATOM 610 SG CYS A 43 -9.038 3.093 -6.793 1.00 0.00 S ATOM 0 H CYS A 43 -7.431 0.378 -6.196 1.00 0.00 H new ATOM 0 HA CYS A 43 -7.893 0.431 -9.108 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.720 1.759 -8.677 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.693 0.813 -7.202 1.00 0.00 H new ATOM 615 N LEU A 44 -6.521 2.434 -9.645 1.00 0.00 N ATOM 616 CA LEU A 44 -5.579 3.496 -9.984 1.00 0.00 C ATOM 617 C LEU A 44 -5.678 4.649 -8.990 1.00 0.00 C ATOM 618 O LEU A 44 -4.736 4.925 -8.247 1.00 0.00 O ATOM 619 CB LEU A 44 -5.843 4.005 -11.402 1.00 0.00 C ATOM 620 CG LEU A 44 -4.907 5.105 -11.905 1.00 0.00 C ATOM 621 CD1 LEU A 44 -3.593 4.509 -12.387 1.00 0.00 C ATOM 622 CD2 LEU A 44 -5.571 5.904 -13.017 1.00 0.00 C ATOM 0 H LEU A 44 -6.950 1.978 -10.450 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.571 3.084 -9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.780 3.160 -12.088 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.866 4.377 -11.448 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.694 5.781 -11.076 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.940 5.307 -12.741 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.109 3.982 -11.565 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.787 3.811 -13.201 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.890 6.682 -13.362 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.814 5.240 -13.847 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.485 6.363 -12.640 1.00 0.00 H new ATOM 634 N LYS A 45 -6.825 5.319 -8.982 1.00 0.00 N ATOM 635 CA LYS A 45 -7.050 6.440 -8.077 1.00 0.00 C ATOM 636 C LYS A 45 -6.377 6.197 -6.730 1.00 0.00 C ATOM 637 O LYS A 45 -5.847 7.121 -6.114 1.00 0.00 O ATOM 638 CB LYS A 45 -8.550 6.666 -7.876 1.00 0.00 C ATOM 639 CG LYS A 45 -9.323 6.816 -9.175 1.00 0.00 C ATOM 640 CD LYS A 45 -10.578 7.650 -8.984 1.00 0.00 C ATOM 641 CE LYS A 45 -11.606 7.366 -10.069 1.00 0.00 C ATOM 642 NZ LYS A 45 -11.133 7.803 -11.411 1.00 0.00 N ATOM 0 H LYS A 45 -7.614 5.105 -9.592 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.611 7.331 -8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.962 5.829 -7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.696 7.561 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.686 7.282 -9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.594 5.831 -9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.011 7.439 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.318 8.708 -8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.825 6.298 -10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.538 7.877 -9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.862 7.592 -12.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.949 8.826 -11.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.257 7.297 -11.652 1.00 0.00 H new ATOM 656 N CYS A 46 -6.400 4.947 -6.280 1.00 0.00 N ATOM 657 CA CYS A 46 -5.791 4.581 -5.007 1.00 0.00 C ATOM 658 C CYS A 46 -4.285 4.385 -5.161 1.00 0.00 C ATOM 659 O CYS A 46 -3.491 5.190 -4.674 1.00 0.00 O ATOM 660 CB CYS A 46 -6.430 3.302 -4.461 1.00 0.00 C ATOM 661 SG CYS A 46 -7.861 3.593 -3.372 1.00 0.00 S ATOM 0 H CYS A 46 -6.834 4.170 -6.778 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.964 5.395 -4.303 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.745 2.680 -5.299 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.677 2.738 -3.911 1.00 0.00 H new ATOM 666 N ILE A 47 -3.901 3.310 -5.840 1.00 0.00 N ATOM 667 CA ILE A 47 -2.492 3.009 -6.059 1.00 0.00 C ATOM 668 C ILE A 47 -1.689 4.282 -6.301 1.00 0.00 C ATOM 669 O ILE A 47 -0.528 4.383 -5.903 1.00 0.00 O ATOM 670 CB ILE A 47 -2.298 2.058 -7.256 1.00 0.00 C ATOM 671 CG1 ILE A 47 -2.913 0.690 -6.953 1.00 0.00 C ATOM 672 CG2 ILE A 47 -0.820 1.919 -7.588 1.00 0.00 C ATOM 673 CD1 ILE A 47 -2.966 -0.227 -8.154 1.00 0.00 C ATOM 0 H ILE A 47 -4.546 2.633 -6.248 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.130 2.520 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.807 2.480 -8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.337 0.208 -6.163 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.923 0.832 -6.569 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.699 1.244 -8.435 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.411 2.897 -7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.290 1.516 -6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.413 -1.178 -7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.567 0.234 -8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.956 -0.399 -8.525 1.00 0.00 H new ATOM 685 N THR A 48 -2.315 5.255 -6.956 1.00 0.00 N ATOM 686 CA THR A 48 -1.660 6.523 -7.251 1.00 0.00 C ATOM 687 C THR A 48 -1.679 7.447 -6.038 1.00 0.00 C ATOM 688 O THR A 48 -0.702 8.142 -5.761 1.00 0.00 O ATOM 689 CB THR A 48 -2.330 7.239 -8.438 1.00 0.00 C ATOM 690 OG1 THR A 48 -2.537 6.317 -9.513 1.00 0.00 O ATOM 691 CG2 THR A 48 -1.478 8.404 -8.919 1.00 0.00 C ATOM 0 H THR A 48 -3.276 5.189 -7.292 1.00 0.00 H new ATOM 0 HA THR A 48 -0.627 6.292 -7.512 1.00 0.00 H new ATOM 0 HB THR A 48 -3.292 7.627 -8.103 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.276 5.713 -9.289 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.972 8.894 -9.758 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.347 9.119 -8.107 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.503 8.035 -9.237 1.00 0.00 H new ATOM 699 N GLN A 49 -2.797 7.449 -5.319 1.00 0.00 N ATOM 700 CA GLN A 49 -2.942 8.288 -4.135 1.00 0.00 C ATOM 701 C GLN A 49 -1.868 7.962 -3.103 1.00 0.00 C ATOM 702 O GLN A 49 -1.263 8.862 -2.517 1.00 0.00 O ATOM 703 CB GLN A 49 -4.330 8.103 -3.521 1.00 0.00 C ATOM 704 CG GLN A 49 -4.701 9.186 -2.520 1.00 0.00 C ATOM 705 CD GLN A 49 -6.200 9.341 -2.357 1.00 0.00 C ATOM 706 OE1 GLN A 49 -6.912 9.642 -3.316 1.00 0.00 O ATOM 707 NE2 GLN A 49 -6.689 9.137 -1.140 1.00 0.00 N ATOM 0 H GLN A 49 -3.615 6.879 -5.535 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.823 9.328 -4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.072 8.088 -4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.373 7.132 -3.027 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.257 8.949 -1.553 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.274 10.136 -2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.063 8.889 -0.374 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.691 9.228 -0.971 1.00 0.00 H new ATOM 716 N ILE A 50 -1.636 6.673 -2.883 1.00 0.00 N ATOM 717 CA ILE A 50 -0.635 6.230 -1.922 1.00 0.00 C ATOM 718 C ILE A 50 0.723 6.860 -2.212 1.00 0.00 C ATOM 719 O ILE A 50 1.351 7.441 -1.327 1.00 0.00 O ATOM 720 CB ILE A 50 -0.488 4.696 -1.928 1.00 0.00 C ATOM 721 CG1 ILE A 50 -1.837 4.032 -1.648 1.00 0.00 C ATOM 722 CG2 ILE A 50 0.548 4.260 -0.902 1.00 0.00 C ATOM 723 CD1 ILE A 50 -1.925 2.608 -2.151 1.00 0.00 C ATOM 0 H ILE A 50 -2.128 5.916 -3.358 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.979 6.550 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.148 4.381 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.022 4.041 -0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.627 4.622 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.641 3.174 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.511 4.710 -1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.235 4.583 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.909 2.200 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.772 2.593 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.158 2.003 -1.668 1.00 0.00 H new ATOM 735 N GLY A 51 1.170 6.744 -3.459 1.00 0.00 N ATOM 736 CA GLY A 51 2.450 7.309 -3.844 1.00 0.00 C ATOM 737 C GLY A 51 2.378 8.807 -4.067 1.00 0.00 C ATOM 738 O GLY A 51 2.527 9.280 -5.193 1.00 0.00 O ATOM 0 H GLY A 51 0.668 6.269 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.186 7.095 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.798 6.825 -4.757 1.00 0.00 H new ATOM 742 N GLU A 52 2.149 9.553 -2.991 1.00 0.00 N ATOM 743 CA GLU A 52 2.056 11.006 -3.076 1.00 0.00 C ATOM 744 C GLU A 52 3.408 11.655 -2.794 1.00 0.00 C ATOM 745 O GLU A 52 3.794 12.623 -3.451 1.00 0.00 O ATOM 746 CB GLU A 52 1.010 11.531 -2.089 1.00 0.00 C ATOM 747 CG GLU A 52 1.248 11.085 -0.656 1.00 0.00 C ATOM 748 CD GLU A 52 0.226 11.654 0.309 1.00 0.00 C ATOM 749 OE1 GLU A 52 -0.980 11.619 -0.016 1.00 0.00 O ATOM 750 OE2 GLU A 52 0.631 12.133 1.388 1.00 0.00 O ATOM 0 H GLU A 52 2.025 9.176 -2.051 1.00 0.00 H new ATOM 0 HA GLU A 52 1.752 11.266 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.003 12.620 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.023 11.195 -2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.220 9.996 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.246 11.392 -0.345 1.00 0.00 H new ATOM 757 N THR A 53 4.124 11.116 -1.813 1.00 0.00 N ATOM 758 CA THR A 53 5.431 11.642 -1.442 1.00 0.00 C ATOM 759 C THR A 53 6.492 10.548 -1.468 1.00 0.00 C ATOM 760 O THR A 53 7.471 10.601 -0.724 1.00 0.00 O ATOM 761 CB THR A 53 5.403 12.281 -0.041 1.00 0.00 C ATOM 762 OG1 THR A 53 5.003 11.310 0.932 1.00 0.00 O ATOM 763 CG2 THR A 53 4.449 13.465 -0.005 1.00 0.00 C ATOM 0 H THR A 53 3.820 10.314 -1.260 1.00 0.00 H new ATOM 0 HA THR A 53 5.683 12.407 -2.177 1.00 0.00 H new ATOM 0 HB THR A 53 6.407 12.636 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.989 11.724 1.820 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.446 13.900 0.995 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.773 14.215 -0.726 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.443 13.130 -0.258 1.00 0.00 H new ATOM 771 N SER A 54 6.291 9.556 -2.330 1.00 0.00 N ATOM 772 CA SER A 54 7.230 8.446 -2.450 1.00 0.00 C ATOM 773 C SER A 54 7.866 8.421 -3.837 1.00 0.00 C ATOM 774 O SER A 54 7.248 8.824 -4.823 1.00 0.00 O ATOM 775 CB SER A 54 6.520 7.118 -2.178 1.00 0.00 C ATOM 776 OG SER A 54 7.444 6.044 -2.145 1.00 0.00 O ATOM 0 H SER A 54 5.487 9.498 -2.955 1.00 0.00 H new ATOM 0 HA SER A 54 8.018 8.587 -1.710 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.988 7.174 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.773 6.936 -2.951 1.00 0.00 H new ATOM 0 HG SER A 54 6.967 5.198 -2.279 1.00 0.00 H new ATOM 782 N CYS A 55 9.105 7.946 -3.903 1.00 0.00 N ATOM 783 CA CYS A 55 9.827 7.869 -5.169 1.00 0.00 C ATOM 784 C CYS A 55 9.485 6.581 -5.912 1.00 0.00 C ATOM 785 O CYS A 55 10.373 5.858 -6.362 1.00 0.00 O ATOM 786 CB CYS A 55 11.335 7.946 -4.925 1.00 0.00 C ATOM 787 SG CYS A 55 11.875 9.474 -4.122 1.00 0.00 S ATOM 0 H CYS A 55 9.630 7.609 -3.096 1.00 0.00 H new ATOM 0 HA CYS A 55 9.522 8.715 -5.785 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.637 7.098 -4.310 1.00 0.00 H new ATOM 0 HB3 CYS A 55 11.852 7.847 -5.879 1.00 0.00 H new ATOM 0 HG CYS A 55 13.164 9.445 -3.956 1.00 0.00 H new ATOM 793 N GLY A 56 8.192 6.300 -6.035 1.00 0.00 N ATOM 794 CA GLY A 56 7.755 5.099 -6.722 1.00 0.00 C ATOM 795 C GLY A 56 7.557 3.930 -5.777 1.00 0.00 C ATOM 796 O GLY A 56 6.444 3.425 -5.629 1.00 0.00 O ATOM 0 H GLY A 56 7.439 6.883 -5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.820 5.303 -7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.491 4.829 -7.480 1.00 0.00 H new ATOM 800 N PHE A 57 8.638 3.498 -5.138 1.00 0.00 N ATOM 801 CA PHE A 57 8.578 2.379 -4.204 1.00 0.00 C ATOM 802 C PHE A 57 7.422 2.551 -3.223 1.00 0.00 C ATOM 803 O PHE A 57 7.403 3.490 -2.427 1.00 0.00 O ATOM 804 CB PHE A 57 9.897 2.254 -3.439 1.00 0.00 C ATOM 805 CG PHE A 57 11.048 1.813 -4.297 1.00 0.00 C ATOM 806 CD1 PHE A 57 11.752 2.730 -5.061 1.00 0.00 C ATOM 807 CD2 PHE A 57 11.427 0.481 -4.339 1.00 0.00 C ATOM 808 CE1 PHE A 57 12.811 2.326 -5.852 1.00 0.00 C ATOM 809 CE2 PHE A 57 12.486 0.071 -5.128 1.00 0.00 C ATOM 810 CZ PHE A 57 13.179 0.995 -5.884 1.00 0.00 C ATOM 0 H PHE A 57 9.567 3.905 -5.249 1.00 0.00 H new ATOM 0 HA PHE A 57 8.412 1.468 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.139 3.216 -2.988 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.769 1.542 -2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.470 3.772 -5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.889 -0.246 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.350 3.050 -6.444 1.00 0.00 H new ATOM 0 HE2 PHE A 57 12.770 -0.971 -5.153 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.008 0.678 -6.500 1.00 0.00 H new ATOM 820 N PHE A 58 6.459 1.638 -3.287 1.00 0.00 N ATOM 821 CA PHE A 58 5.298 1.688 -2.406 1.00 0.00 C ATOM 822 C PHE A 58 4.905 0.288 -1.944 1.00 0.00 C ATOM 823 O PHE A 58 4.884 -0.656 -2.733 1.00 0.00 O ATOM 824 CB PHE A 58 4.118 2.352 -3.119 1.00 0.00 C ATOM 825 CG PHE A 58 3.402 1.437 -4.071 1.00 0.00 C ATOM 826 CD1 PHE A 58 4.058 0.908 -5.171 1.00 0.00 C ATOM 827 CD2 PHE A 58 2.072 1.107 -3.867 1.00 0.00 C ATOM 828 CE1 PHE A 58 3.402 0.066 -6.049 1.00 0.00 C ATOM 829 CE2 PHE A 58 1.410 0.265 -4.741 1.00 0.00 C ATOM 830 CZ PHE A 58 2.076 -0.255 -5.834 1.00 0.00 C ATOM 0 H PHE A 58 6.459 0.854 -3.940 1.00 0.00 H new ATOM 0 HA PHE A 58 5.564 2.279 -1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.410 2.714 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.478 3.223 -3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.095 1.157 -5.344 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.546 1.512 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.925 -0.340 -6.902 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.374 0.014 -4.570 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.561 -0.912 -6.519 1.00 0.00 H new ATOM 840 N LYS A 59 4.594 0.161 -0.658 1.00 0.00 N ATOM 841 CA LYS A 59 4.200 -1.122 -0.088 1.00 0.00 C ATOM 842 C LYS A 59 2.682 -1.272 -0.082 1.00 0.00 C ATOM 843 O LYS A 59 1.957 -0.337 0.260 1.00 0.00 O ATOM 844 CB LYS A 59 4.743 -1.259 1.336 1.00 0.00 C ATOM 845 CG LYS A 59 4.299 -0.143 2.266 1.00 0.00 C ATOM 846 CD LYS A 59 4.354 -0.575 3.722 1.00 0.00 C ATOM 847 CE LYS A 59 3.311 0.151 4.558 1.00 0.00 C ATOM 848 NZ LYS A 59 3.697 1.565 4.820 1.00 0.00 N ATOM 0 H LYS A 59 4.607 0.932 0.010 1.00 0.00 H new ATOM 0 HA LYS A 59 4.623 -1.912 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.420 -2.215 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.832 -1.279 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.937 0.729 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.283 0.160 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.192 -1.651 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.347 -0.376 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.351 0.126 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.178 -0.371 5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.961 2.025 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.601 1.589 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.799 2.070 3.917 1.00 0.00 H new ATOM 862 N CYS A 60 2.207 -2.454 -0.459 1.00 0.00 N ATOM 863 CA CYS A 60 0.776 -2.727 -0.496 1.00 0.00 C ATOM 864 C CYS A 60 0.121 -2.379 0.838 1.00 0.00 C ATOM 865 O CYS A 60 0.649 -2.672 1.911 1.00 0.00 O ATOM 866 CB CYS A 60 0.525 -4.198 -0.832 1.00 0.00 C ATOM 867 SG CYS A 60 -1.225 -4.694 -0.737 1.00 0.00 S ATOM 0 H CYS A 60 2.793 -3.239 -0.743 1.00 0.00 H new ATOM 0 HA CYS A 60 0.332 -2.103 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.894 -4.398 -1.838 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.105 -4.820 -0.150 1.00 0.00 H new ATOM 872 N PRO A 61 -1.056 -1.740 0.770 1.00 0.00 N ATOM 873 CA PRO A 61 -1.808 -1.339 1.963 1.00 0.00 C ATOM 874 C PRO A 61 -2.389 -2.535 2.710 1.00 0.00 C ATOM 875 O PRO A 61 -2.306 -2.613 3.937 1.00 0.00 O ATOM 876 CB PRO A 61 -2.931 -0.466 1.397 1.00 0.00 C ATOM 877 CG PRO A 61 -3.108 -0.937 -0.005 1.00 0.00 C ATOM 878 CD PRO A 61 -1.743 -1.360 -0.475 1.00 0.00 C ATOM 0 HA PRO A 61 -1.177 -0.828 2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.850 -0.581 1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.665 0.591 1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.812 -1.768 -0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.509 -0.144 -0.636 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.799 -2.195 -1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.226 -0.549 -0.988 1.00 0.00 H new ATOM 886 N LEU A 62 -2.977 -3.464 1.965 1.00 0.00 N ATOM 887 CA LEU A 62 -3.572 -4.657 2.558 1.00 0.00 C ATOM 888 C LEU A 62 -2.513 -5.503 3.257 1.00 0.00 C ATOM 889 O LEU A 62 -2.620 -5.790 4.450 1.00 0.00 O ATOM 890 CB LEU A 62 -4.276 -5.487 1.483 1.00 0.00 C ATOM 891 CG LEU A 62 -5.618 -4.945 0.988 1.00 0.00 C ATOM 892 CD1 LEU A 62 -6.101 -5.735 -0.217 1.00 0.00 C ATOM 893 CD2 LEU A 62 -6.653 -4.983 2.103 1.00 0.00 C ATOM 0 H LEU A 62 -3.055 -3.415 0.949 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.304 -4.338 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.607 -5.580 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.435 -6.492 1.874 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.479 -3.908 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.057 -5.335 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.370 -5.655 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.223 -6.782 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.601 -4.594 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.789 -6.011 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.311 -4.371 2.938 1.00 0.00 H new ATOM 905 N CYS A 63 -1.489 -5.899 2.508 1.00 0.00 N ATOM 906 CA CYS A 63 -0.409 -6.710 3.055 1.00 0.00 C ATOM 907 C CYS A 63 0.921 -5.966 2.984 1.00 0.00 C ATOM 908 O CYS A 63 1.378 -5.591 1.904 1.00 0.00 O ATOM 909 CB CYS A 63 -0.305 -8.036 2.299 1.00 0.00 C ATOM 910 SG CYS A 63 0.162 -7.858 0.547 1.00 0.00 S ATOM 0 H CYS A 63 -1.385 -5.671 1.519 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.636 -6.913 4.102 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.429 -8.669 2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.263 -8.552 2.358 1.00 0.00 H new ATOM 915 N LYS A 64 1.538 -5.755 4.141 1.00 0.00 N ATOM 916 CA LYS A 64 2.816 -5.057 4.212 1.00 0.00 C ATOM 917 C LYS A 64 3.955 -5.960 3.748 1.00 0.00 C ATOM 918 O LYS A 64 4.678 -6.534 4.562 1.00 0.00 O ATOM 919 CB LYS A 64 3.081 -4.579 5.641 1.00 0.00 C ATOM 920 CG LYS A 64 2.366 -3.285 5.992 1.00 0.00 C ATOM 921 CD LYS A 64 2.089 -3.188 7.483 1.00 0.00 C ATOM 922 CE LYS A 64 3.277 -2.606 8.233 1.00 0.00 C ATOM 923 NZ LYS A 64 3.380 -1.132 8.052 1.00 0.00 N ATOM 0 H LYS A 64 1.173 -6.058 5.044 1.00 0.00 H new ATOM 0 HA LYS A 64 2.767 -4.193 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.771 -5.357 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.154 -4.440 5.776 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.973 -2.436 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.427 -3.226 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.210 -2.565 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.858 -4.178 7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.184 -2.836 9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.194 -3.080 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.245 -0.907 7.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.551 -0.788 7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.416 -0.670 8.983 1.00 0.00 H new ATOM 937 N THR A 65 4.111 -6.079 2.433 1.00 0.00 N ATOM 938 CA THR A 65 5.162 -6.911 1.860 1.00 0.00 C ATOM 939 C THR A 65 6.156 -6.071 1.066 1.00 0.00 C ATOM 940 O THR A 65 5.820 -4.994 0.574 1.00 0.00 O ATOM 941 CB THR A 65 4.579 -8.001 0.942 1.00 0.00 C ATOM 942 OG1 THR A 65 5.627 -8.850 0.463 1.00 0.00 O ATOM 943 CG2 THR A 65 3.844 -7.379 -0.237 1.00 0.00 C ATOM 0 H THR A 65 3.523 -5.610 1.745 1.00 0.00 H new ATOM 0 HA THR A 65 5.677 -7.388 2.694 1.00 0.00 H new ATOM 0 HB THR A 65 3.870 -8.592 1.521 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.248 -9.542 -0.119 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.441 -8.168 -0.872 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.028 -6.756 0.130 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.536 -6.767 -0.815 1.00 0.00 H new ATOM 951 N SER A 66 7.381 -6.572 0.943 1.00 0.00 N ATOM 952 CA SER A 66 8.426 -5.865 0.210 1.00 0.00 C ATOM 953 C SER A 66 8.340 -6.166 -1.283 1.00 0.00 C ATOM 954 O SER A 66 8.987 -7.088 -1.781 1.00 0.00 O ATOM 955 CB SER A 66 9.806 -6.257 0.742 1.00 0.00 C ATOM 956 OG SER A 66 9.973 -7.664 0.739 1.00 0.00 O ATOM 0 H SER A 66 7.675 -7.464 1.341 1.00 0.00 H new ATOM 0 HA SER A 66 8.278 -4.795 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.580 -5.795 0.130 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.931 -5.875 1.755 1.00 0.00 H new ATOM 0 HG SER A 66 9.698 -8.024 -0.130 1.00 0.00 H new ATOM 962 N VAL A 67 7.535 -5.382 -1.994 1.00 0.00 N ATOM 963 CA VAL A 67 7.364 -5.562 -3.430 1.00 0.00 C ATOM 964 C VAL A 67 7.871 -4.348 -4.201 1.00 0.00 C ATOM 965 O VAL A 67 8.076 -3.278 -3.628 1.00 0.00 O ATOM 966 CB VAL A 67 5.888 -5.807 -3.793 1.00 0.00 C ATOM 967 CG1 VAL A 67 5.391 -7.100 -3.164 1.00 0.00 C ATOM 968 CG2 VAL A 67 5.030 -4.629 -3.358 1.00 0.00 C ATOM 0 H VAL A 67 6.991 -4.616 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 67 7.950 -6.437 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 67 5.809 -5.904 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.346 -7.257 -3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.988 -7.935 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.482 -7.036 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.990 -4.819 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.112 -4.498 -2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.372 -3.724 -3.860 1.00 0.00 H new ATOM 978 N ARG A 68 8.071 -4.522 -5.503 1.00 0.00 N ATOM 979 CA ARG A 68 8.555 -3.441 -6.353 1.00 0.00 C ATOM 980 C ARG A 68 7.483 -3.014 -7.352 1.00 0.00 C ATOM 981 O ARG A 68 6.529 -3.749 -7.608 1.00 0.00 O ATOM 982 CB ARG A 68 9.818 -3.875 -7.098 1.00 0.00 C ATOM 983 CG ARG A 68 10.767 -2.729 -7.408 1.00 0.00 C ATOM 984 CD ARG A 68 11.990 -3.210 -8.174 1.00 0.00 C ATOM 985 NE ARG A 68 11.631 -3.818 -9.452 1.00 0.00 N ATOM 986 CZ ARG A 68 11.351 -3.118 -10.546 1.00 0.00 C ATOM 987 NH1 ARG A 68 11.389 -1.793 -10.518 1.00 0.00 N ATOM 988 NH2 ARG A 68 11.033 -3.744 -11.672 1.00 0.00 N ATOM 0 H ARG A 68 7.905 -5.401 -5.992 1.00 0.00 H new ATOM 0 HA ARG A 68 8.793 -2.590 -5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.344 -4.620 -6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.531 -4.360 -8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.245 -1.971 -7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.082 -2.254 -6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.662 -2.370 -8.348 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.535 -3.934 -7.569 1.00 0.00 H new ATOM 0 HE ARG A 68 11.593 -4.836 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.634 -1.308 -9.655 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.173 -1.259 -11.360 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.003 -4.763 -11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.818 -3.206 -12.511 1.00 0.00 H new ATOM 1002 N LYS A 69 7.647 -1.821 -7.914 1.00 0.00 N ATOM 1003 CA LYS A 69 6.696 -1.296 -8.886 1.00 0.00 C ATOM 1004 C LYS A 69 6.977 -1.852 -10.278 1.00 0.00 C ATOM 1005 O LYS A 69 8.090 -2.287 -10.570 1.00 0.00 O ATOM 1006 CB LYS A 69 6.757 0.233 -8.914 1.00 0.00 C ATOM 1007 CG LYS A 69 7.983 0.780 -9.625 1.00 0.00 C ATOM 1008 CD LYS A 69 9.084 1.140 -8.641 1.00 0.00 C ATOM 1009 CE LYS A 69 8.962 2.581 -8.171 1.00 0.00 C ATOM 1010 NZ LYS A 69 9.674 3.522 -9.080 1.00 0.00 N ATOM 0 H LYS A 69 8.430 -1.199 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 69 5.696 -1.609 -8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.862 0.615 -9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.744 0.608 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.355 0.039 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 69 7.707 1.662 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.039 0.471 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.056 0.990 -9.110 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.909 2.857 -8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.369 2.670 -7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.909 4.393 -8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.549 3.077 -9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.062 3.753 -9.889 1.00 0.00 H new ATOM 1024 N ASN A 70 5.960 -1.833 -11.134 1.00 0.00 N ATOM 1025 CA ASN A 70 6.099 -2.335 -12.496 1.00 0.00 C ATOM 1026 C ASN A 70 6.966 -1.401 -13.335 1.00 0.00 C ATOM 1027 O ASN A 70 8.027 -1.791 -13.819 1.00 0.00 O ATOM 1028 CB ASN A 70 4.722 -2.492 -13.146 1.00 0.00 C ATOM 1029 CG ASN A 70 3.778 -1.364 -12.780 1.00 0.00 C ATOM 1030 OD1 ASN A 70 3.432 -1.184 -11.612 1.00 0.00 O ATOM 1031 ND2 ASN A 70 3.355 -0.598 -13.779 1.00 0.00 N ATOM 0 H ASN A 70 5.032 -1.476 -10.909 1.00 0.00 H new ATOM 0 HA ASN A 70 6.586 -3.309 -12.450 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.837 -2.529 -14.229 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.285 -3.442 -12.839 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.717 0.176 -13.593 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.668 -0.784 -14.732 1.00 0.00 H new ATOM 1038 N ALA A 71 6.506 -0.165 -13.501 1.00 0.00 N ATOM 1039 CA ALA A 71 7.240 0.825 -14.278 1.00 0.00 C ATOM 1040 C ALA A 71 7.597 2.038 -13.425 1.00 0.00 C ATOM 1041 O ALA A 71 6.803 2.479 -12.593 1.00 0.00 O ATOM 1042 CB ALA A 71 6.428 1.252 -15.491 1.00 0.00 C ATOM 0 H ALA A 71 5.628 0.174 -13.107 1.00 0.00 H new ATOM 0 HA ALA A 71 8.168 0.367 -14.619 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.989 1.992 -16.062 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.228 0.384 -16.119 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.484 1.687 -15.162 1.00 0.00 H new ATOM 1048 N ILE A 72 8.796 2.571 -13.635 1.00 0.00 N ATOM 1049 CA ILE A 72 9.256 3.733 -12.885 1.00 0.00 C ATOM 1050 C ILE A 72 8.707 5.025 -13.480 1.00 0.00 C ATOM 1051 O ILE A 72 8.143 5.026 -14.575 1.00 0.00 O ATOM 1052 CB ILE A 72 10.794 3.809 -12.854 1.00 0.00 C ATOM 1053 CG1 ILE A 72 11.347 3.991 -14.269 1.00 0.00 C ATOM 1054 CG2 ILE A 72 11.373 2.558 -12.210 1.00 0.00 C ATOM 1055 CD1 ILE A 72 11.384 5.433 -14.723 1.00 0.00 C ATOM 0 H ILE A 72 9.466 2.217 -14.318 1.00 0.00 H new ATOM 0 HA ILE A 72 8.884 3.619 -11.867 1.00 0.00 H new ATOM 0 HB ILE A 72 11.088 4.672 -12.256 1.00 0.00 H new ATOM 0 HG12 ILE A 72 12.355 3.579 -14.312 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.738 3.415 -14.965 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.461 2.626 -12.195 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.001 2.469 -11.189 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.072 1.681 -12.783 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.787 5.486 -15.734 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.374 5.844 -14.713 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.017 6.010 -14.049 1.00 0.00 H new ATOM 1067 N ARG A 73 8.877 6.124 -12.753 1.00 0.00 N ATOM 1068 CA ARG A 73 8.399 7.424 -13.210 1.00 0.00 C ATOM 1069 C ARG A 73 9.548 8.424 -13.302 1.00 0.00 C ATOM 1070 O ARG A 73 10.181 8.752 -12.298 1.00 0.00 O ATOM 1071 CB ARG A 73 7.321 7.955 -12.264 1.00 0.00 C ATOM 1072 CG ARG A 73 5.950 7.339 -12.495 1.00 0.00 C ATOM 1073 CD ARG A 73 5.208 8.040 -13.622 1.00 0.00 C ATOM 1074 NE ARG A 73 4.526 9.247 -13.162 1.00 0.00 N ATOM 1075 CZ ARG A 73 3.800 10.028 -13.953 1.00 0.00 C ATOM 1076 NH1 ARG A 73 3.662 9.731 -15.238 1.00 0.00 N ATOM 1077 NH2 ARG A 73 3.211 11.110 -13.460 1.00 0.00 N ATOM 0 H ARG A 73 9.342 6.141 -11.845 1.00 0.00 H new ATOM 0 HA ARG A 73 7.970 7.297 -14.204 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.627 7.765 -11.235 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.248 9.036 -12.380 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.061 6.281 -12.733 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.363 7.400 -11.578 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.912 8.301 -14.412 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.480 7.356 -14.057 1.00 0.00 H new ATOM 0 HE ARG A 73 4.612 9.504 -12.179 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.114 8.901 -15.621 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.104 10.333 -15.843 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.316 11.342 -12.472 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.654 11.709 -14.069 1.00 0.00 H new TER 1091 ARG A 73 HETATM 1092 ZN ZN A 201 -9.446 2.529 -4.637 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 -1.334 -7.037 -0.919 1.00 0.00 ZN