USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 606 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 87 LYS NZ :NH3+ -145:sc= 1.55 (180deg=-1.75!) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0.937 USER MOD Set 2.1: A 19 GLN :FLIP amide:sc= 0.713 F(o=0.34,f=1.9) USER MOD Set 2.2: A 29 TYR OH : rot 84:sc= 1.15 USER MOD Single : A 1 THR N :NH3+ -154:sc= -0.618 (180deg=-2.5!) USER MOD Single : A 1 THR OG1 : rot 38:sc= 0.154 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.3!) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0.029 K(o=0.029,f=-0.57) USER MOD Single : A 10 HIS : no HE2:sc= -0.582 K(o=-0.58,f=-2.8!) USER MOD Single : A 15 SER OG : rot 50:sc= 0.0466 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.11) USER MOD Single : A 32 SER OG : rot 55:sc= 0.985 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -124:sc= -0.707 (180deg=-1.25) USER MOD Single : A 53 GLN :FLIP amide:sc= -1.3 F(o=-6.1!,f=-1.3) USER MOD Single : A 55 ASN : amide:sc= -16.3! C(o=-16!,f=-21!) USER MOD Single : A 58 ASN : amide:sc= -1.53! C(o=-1.5!,f=-3.7!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= -6.1! (180deg=-6.1!) USER MOD Single : A 63 SER OG : rot -57:sc= 0.737 USER MOD Single : A 64 ASN : amide:sc= -0.0111 K(o=-0.011,f=-3.4!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 73:sc= 0.934 USER MOD Single : A 84 THR OG1 : rot 85:sc= 0.176 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 7.244 -5.355 0.214 1.00 0.00 N ATOM 2 CA THR A 1 7.938 -4.874 -0.968 1.00 0.00 C ATOM 3 C THR A 1 7.500 -5.664 -2.203 1.00 0.00 C ATOM 4 O THR A 1 7.951 -6.789 -2.416 1.00 0.00 O ATOM 5 CB THR A 1 9.442 -4.951 -0.698 1.00 0.00 C ATOM 6 OG1 THR A 1 9.661 -3.982 0.323 1.00 0.00 O ATOM 7 CG2 THR A 1 10.275 -4.446 -1.877 1.00 0.00 C ATOM 0 H1 THR A 1 7.189 -4.592 0.919 1.00 0.00 H new ATOM 0 H2 THR A 1 6.283 -5.656 -0.046 1.00 0.00 H new ATOM 0 H3 THR A 1 7.763 -6.161 0.617 1.00 0.00 H new ATOM 0 HA THR A 1 7.685 -3.835 -1.180 1.00 0.00 H new ATOM 0 HB THR A 1 9.718 -5.981 -0.474 1.00 0.00 H new ATOM 0 HG1 THR A 1 8.909 -3.993 0.951 1.00 0.00 H new ATOM 0 HG21 THR A 1 11.335 -4.522 -1.633 1.00 0.00 H new ATOM 0 HG22 THR A 1 10.061 -5.050 -2.759 1.00 0.00 H new ATOM 0 HG23 THR A 1 10.024 -3.405 -2.081 1.00 0.00 H new ATOM 15 N VAL A 2 6.628 -5.046 -2.985 1.00 0.00 N ATOM 16 CA VAL A 2 6.125 -5.677 -4.192 1.00 0.00 C ATOM 17 C VAL A 2 5.884 -4.608 -5.259 1.00 0.00 C ATOM 18 O VAL A 2 5.450 -3.500 -4.947 1.00 0.00 O ATOM 19 CB VAL A 2 4.872 -6.495 -3.872 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.276 -7.106 -5.142 1.00 0.00 C ATOM 21 CG2 VAL A 2 5.175 -7.577 -2.833 1.00 0.00 C ATOM 0 H VAL A 2 6.257 -4.113 -2.806 1.00 0.00 H new ATOM 0 HA VAL A 2 6.860 -6.376 -4.592 1.00 0.00 H new ATOM 0 HB VAL A 2 4.130 -5.819 -3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.387 -7.682 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.006 -6.310 -5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.011 -7.761 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.268 -8.144 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.941 -8.248 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.532 -7.110 -1.915 1.00 0.00 H new ATOM 31 N THR A 3 6.175 -4.977 -6.498 1.00 0.00 N ATOM 32 CA THR A 3 5.996 -4.064 -7.613 1.00 0.00 C ATOM 33 C THR A 3 4.866 -4.548 -8.524 1.00 0.00 C ATOM 34 O THR A 3 5.079 -5.407 -9.379 1.00 0.00 O ATOM 35 CB THR A 3 7.339 -3.925 -8.333 1.00 0.00 C ATOM 36 OG1 THR A 3 8.162 -3.230 -7.400 1.00 0.00 O ATOM 37 CG2 THR A 3 7.264 -2.986 -9.538 1.00 0.00 C ATOM 0 H THR A 3 6.534 -5.897 -6.754 1.00 0.00 H new ATOM 0 HA THR A 3 5.692 -3.076 -7.268 1.00 0.00 H new ATOM 0 HB THR A 3 7.678 -4.908 -8.661 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.054 -3.098 -7.785 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.244 -2.923 -10.012 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.538 -3.371 -10.254 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.957 -1.994 -9.208 1.00 0.00 H new ATOM 45 N LEU A 4 3.690 -3.979 -8.309 1.00 0.00 N ATOM 46 CA LEU A 4 2.526 -4.343 -9.099 1.00 0.00 C ATOM 47 C LEU A 4 2.777 -3.980 -10.565 1.00 0.00 C ATOM 48 O LEU A 4 2.946 -2.809 -10.897 1.00 0.00 O ATOM 49 CB LEU A 4 1.262 -3.708 -8.516 1.00 0.00 C ATOM 50 CG LEU A 4 0.350 -4.641 -7.717 1.00 0.00 C ATOM 51 CD1 LEU A 4 -0.982 -3.961 -7.394 1.00 0.00 C ATOM 52 CD2 LEU A 4 0.153 -5.972 -8.446 1.00 0.00 C ATOM 0 H LEU A 4 3.517 -3.268 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 4 2.360 -5.420 -9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.559 -2.882 -7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.683 -3.280 -9.335 1.00 0.00 H new ATOM 0 HG LEU A 4 0.836 -4.864 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.612 -4.646 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.798 -3.063 -6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.486 -3.690 -8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.499 -6.617 -7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -0.301 -5.790 -9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.119 -6.459 -8.581 1.00 0.00 H new ATOM 63 N ASN A 5 2.792 -5.007 -11.401 1.00 0.00 N ATOM 64 CA ASN A 5 3.019 -4.812 -12.822 1.00 0.00 C ATOM 65 C ASN A 5 1.718 -4.356 -13.484 1.00 0.00 C ATOM 66 O ASN A 5 0.827 -5.167 -13.734 1.00 0.00 O ATOM 67 CB ASN A 5 3.461 -6.114 -13.494 1.00 0.00 C ATOM 68 CG ASN A 5 4.827 -5.950 -14.162 1.00 0.00 C ATOM 69 OD1 ASN A 5 5.236 -4.865 -14.542 1.00 0.00 O ATOM 70 ND2 ASN A 5 5.509 -7.085 -14.284 1.00 0.00 N ATOM 0 H ASN A 5 2.650 -5.978 -11.121 1.00 0.00 H new ATOM 0 HA ASN A 5 3.802 -4.063 -12.938 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.508 -6.912 -12.753 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.722 -6.413 -14.238 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.433 -7.081 -14.717 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.109 -7.960 -13.945 1.00 0.00 H new ATOM 76 N MET A 6 1.648 -3.060 -13.750 1.00 0.00 N ATOM 77 CA MET A 6 0.470 -2.486 -14.379 1.00 0.00 C ATOM 78 C MET A 6 0.680 -1.003 -14.685 1.00 0.00 C ATOM 79 O MET A 6 1.415 -0.316 -13.977 1.00 0.00 O ATOM 80 CB MET A 6 -0.734 -2.651 -13.451 1.00 0.00 C ATOM 81 CG MET A 6 -1.825 -3.496 -14.112 1.00 0.00 C ATOM 82 SD MET A 6 -3.127 -2.441 -14.726 1.00 0.00 S ATOM 83 CE MET A 6 -3.208 -3.001 -16.418 1.00 0.00 C ATOM 0 H MET A 6 2.389 -2.390 -13.541 1.00 0.00 H new ATOM 0 HA MET A 6 0.291 -3.009 -15.318 1.00 0.00 H new ATOM 0 HB2 MET A 6 -0.418 -3.122 -12.520 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.135 -1.671 -13.192 1.00 0.00 H new ATOM 0 HG2 MET A 6 -1.400 -4.077 -14.931 1.00 0.00 H new ATOM 0 HG3 MET A 6 -2.231 -4.208 -13.393 1.00 0.00 H new ATOM 0 HE1 MET A 6 -3.977 -2.442 -16.950 1.00 0.00 H new ATOM 0 HE2 MET A 6 -2.244 -2.841 -16.901 1.00 0.00 H new ATOM 0 HE3 MET A 6 -3.452 -4.063 -16.438 1.00 0.00 H new ATOM 91 N GLU A 7 0.022 -0.551 -15.743 1.00 0.00 N ATOM 92 CA GLU A 7 0.127 0.839 -16.152 1.00 0.00 C ATOM 93 C GLU A 7 -0.549 1.748 -15.123 1.00 0.00 C ATOM 94 O GLU A 7 -1.293 1.275 -14.265 1.00 0.00 O ATOM 95 CB GLU A 7 -0.471 1.047 -17.545 1.00 0.00 C ATOM 96 CG GLU A 7 0.587 1.559 -18.525 1.00 0.00 C ATOM 97 CD GLU A 7 1.727 0.551 -18.676 1.00 0.00 C ATOM 98 OE1 GLU A 7 1.566 -0.626 -18.320 1.00 0.00 O ATOM 99 OE2 GLU A 7 2.812 1.027 -19.186 1.00 0.00 O ATOM 0 H GLU A 7 -0.586 -1.123 -16.329 1.00 0.00 H new ATOM 0 HA GLU A 7 1.183 1.104 -16.203 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.886 0.108 -17.910 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.294 1.759 -17.489 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.129 1.744 -19.497 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.983 2.512 -18.173 1.00 0.00 H new ATOM 105 N ARG A 8 -0.268 3.037 -15.245 1.00 0.00 N ATOM 106 CA ARG A 8 -0.840 4.016 -14.336 1.00 0.00 C ATOM 107 C ARG A 8 -2.331 4.202 -14.625 1.00 0.00 C ATOM 108 O ARG A 8 -2.712 5.073 -15.407 1.00 0.00 O ATOM 109 CB ARG A 8 -0.131 5.366 -14.463 1.00 0.00 C ATOM 110 CG ARG A 8 1.177 5.375 -13.670 1.00 0.00 C ATOM 111 CD ARG A 8 1.783 6.780 -13.627 1.00 0.00 C ATOM 112 NE ARG A 8 2.177 7.203 -14.990 1.00 0.00 N ATOM 113 CZ ARG A 8 3.065 8.186 -15.249 1.00 0.00 C ATOM 114 NH1 ARG A 8 3.659 8.858 -14.239 1.00 0.00 N ATOM 115 NH2 ARG A 8 3.344 8.481 -16.505 1.00 0.00 N ATOM 0 H ARG A 8 0.348 3.426 -15.959 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.707 3.642 -13.321 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.075 5.575 -15.513 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.785 6.160 -14.102 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.993 5.023 -12.655 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.886 4.683 -14.124 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.061 7.484 -13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.652 6.790 -12.969 1.00 0.00 H new ATOM 0 HE ARG A 8 1.751 6.722 -15.782 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.438 8.624 -13.271 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.329 9.599 -14.444 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.891 7.969 -17.262 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.013 9.221 -16.719 1.00 0.00 H new ATOM 125 N HIS A 9 -3.135 3.370 -13.980 1.00 0.00 N ATOM 126 CA HIS A 9 -4.576 3.431 -14.158 1.00 0.00 C ATOM 127 C HIS A 9 -5.271 3.084 -12.841 1.00 0.00 C ATOM 128 O HIS A 9 -4.617 2.705 -11.870 1.00 0.00 O ATOM 129 CB HIS A 9 -5.018 2.534 -15.316 1.00 0.00 C ATOM 130 CG HIS A 9 -5.946 3.210 -16.297 1.00 0.00 C ATOM 131 ND1 HIS A 9 -7.313 3.300 -16.096 1.00 0.00 N ATOM 132 CD2 HIS A 9 -5.691 3.829 -17.485 1.00 0.00 C ATOM 133 CE1 HIS A 9 -7.846 3.945 -17.123 1.00 0.00 C ATOM 134 NE2 HIS A 9 -6.839 4.271 -17.984 1.00 0.00 N ATOM 0 H HIS A 9 -2.816 2.649 -13.333 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.870 4.445 -14.427 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.134 2.185 -15.849 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.514 1.653 -14.910 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.719 3.941 -17.943 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.893 4.173 -17.255 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -6.950 4.772 -18.866 1.00 0.00 H new ATOM 141 N HIS A 10 -6.589 3.228 -12.848 1.00 0.00 N ATOM 142 CA HIS A 10 -7.379 2.934 -11.665 1.00 0.00 C ATOM 143 C HIS A 10 -8.344 1.785 -11.966 1.00 0.00 C ATOM 144 O HIS A 10 -9.384 1.990 -12.590 1.00 0.00 O ATOM 145 CB HIS A 10 -8.093 4.191 -11.164 1.00 0.00 C ATOM 146 CG HIS A 10 -8.830 4.950 -12.241 1.00 0.00 C ATOM 147 ND1 HIS A 10 -10.033 4.521 -12.772 1.00 0.00 N ATOM 148 CD2 HIS A 10 -8.520 6.115 -12.881 1.00 0.00 C ATOM 149 CE1 HIS A 10 -10.423 5.395 -13.689 1.00 0.00 C ATOM 150 NE2 HIS A 10 -9.483 6.382 -13.756 1.00 0.00 N ATOM 0 H HIS A 10 -7.128 3.544 -13.654 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.724 2.611 -10.856 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.800 3.908 -10.385 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.360 4.854 -10.704 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.535 3.675 -12.503 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.641 6.717 -12.706 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.326 5.336 -14.279 1.00 0.00 H new ATOM 157 N PHE A 11 -7.964 0.601 -11.507 1.00 0.00 N ATOM 158 CA PHE A 11 -8.782 -0.581 -11.718 1.00 0.00 C ATOM 159 C PHE A 11 -9.138 -1.246 -10.388 1.00 0.00 C ATOM 160 O PHE A 11 -10.250 -1.746 -10.217 1.00 0.00 O ATOM 161 CB PHE A 11 -7.952 -1.555 -12.556 1.00 0.00 C ATOM 162 CG PHE A 11 -8.788 -2.521 -13.399 1.00 0.00 C ATOM 163 CD1 PHE A 11 -9.234 -2.140 -14.626 1.00 0.00 C ATOM 164 CD2 PHE A 11 -9.086 -3.758 -12.920 1.00 0.00 C ATOM 165 CE1 PHE A 11 -10.011 -3.035 -15.408 1.00 0.00 C ATOM 166 CE2 PHE A 11 -9.862 -4.654 -13.702 1.00 0.00 C ATOM 167 CZ PHE A 11 -10.309 -4.274 -14.930 1.00 0.00 C ATOM 0 H PHE A 11 -7.101 0.435 -10.990 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.712 -0.306 -12.216 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.299 -0.985 -13.216 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -7.308 -2.132 -11.892 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.997 -1.157 -15.006 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.733 -4.059 -11.945 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.366 -2.733 -16.382 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.098 -5.637 -13.322 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.900 -4.955 -15.525 1.00 0.00 H new ATOM 176 N LEU A 12 -8.174 -1.231 -9.478 1.00 0.00 N ATOM 177 CA LEU A 12 -8.373 -1.827 -8.168 1.00 0.00 C ATOM 178 C LEU A 12 -8.499 -0.717 -7.122 1.00 0.00 C ATOM 179 O LEU A 12 -7.816 0.302 -7.207 1.00 0.00 O ATOM 180 CB LEU A 12 -7.262 -2.835 -7.864 1.00 0.00 C ATOM 181 CG LEU A 12 -5.846 -2.413 -8.264 1.00 0.00 C ATOM 182 CD1 LEU A 12 -5.656 -2.501 -9.779 1.00 0.00 C ATOM 183 CD2 LEU A 12 -5.516 -1.020 -7.724 1.00 0.00 C ATOM 0 H LEU A 12 -7.254 -0.816 -9.622 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.303 -2.395 -8.145 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.269 -3.042 -6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.498 -3.770 -8.372 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.140 -3.109 -7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.642 -2.196 -10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.821 -3.527 -10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.370 -1.843 -10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.505 -0.744 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.224 -0.296 -8.128 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.585 -1.026 -6.636 1.00 0.00 H new ATOM 194 N GLY A 13 -9.379 -0.953 -6.159 1.00 0.00 N ATOM 195 CA GLY A 13 -9.603 0.013 -5.098 1.00 0.00 C ATOM 196 C GLY A 13 -8.873 -0.397 -3.819 1.00 0.00 C ATOM 197 O GLY A 13 -9.127 -1.469 -3.271 1.00 0.00 O ATOM 0 H GLY A 13 -9.945 -1.799 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.258 0.996 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.671 0.099 -4.899 1.00 0.00 H new ATOM 201 N ILE A 14 -7.979 0.477 -3.378 1.00 0.00 N ATOM 202 CA ILE A 14 -7.210 0.219 -2.174 1.00 0.00 C ATOM 203 C ILE A 14 -7.417 1.368 -1.185 1.00 0.00 C ATOM 204 O ILE A 14 -8.058 2.366 -1.513 1.00 0.00 O ATOM 205 CB ILE A 14 -5.742 -0.037 -2.520 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.261 0.920 -3.612 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.515 -1.502 -2.901 1.00 0.00 C ATOM 208 CD1 ILE A 14 -3.813 1.348 -3.369 1.00 0.00 C ATOM 0 H ILE A 14 -7.771 1.365 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.562 -0.690 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.143 0.161 -1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.342 0.436 -4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.904 1.800 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.463 -1.656 -3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.793 -2.143 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.127 -1.751 -3.768 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.497 2.028 -4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.740 1.853 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.169 0.469 -3.368 1.00 0.00 H new ATOM 219 N SER A 15 -6.864 1.190 0.005 1.00 0.00 N ATOM 220 CA SER A 15 -6.979 2.200 1.043 1.00 0.00 C ATOM 221 C SER A 15 -5.933 1.955 2.132 1.00 0.00 C ATOM 222 O SER A 15 -5.335 0.881 2.193 1.00 0.00 O ATOM 223 CB SER A 15 -8.384 2.207 1.651 1.00 0.00 C ATOM 224 OG SER A 15 -9.148 3.328 1.215 1.00 0.00 O ATOM 0 H SER A 15 -6.335 0.361 0.274 1.00 0.00 H new ATOM 0 HA SER A 15 -6.801 3.176 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.902 1.287 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.309 2.220 2.738 1.00 0.00 H new ATOM 0 HG SER A 15 -9.100 3.397 0.239 1.00 0.00 H new ATOM 229 N ILE A 16 -5.742 2.968 2.963 1.00 0.00 N ATOM 230 CA ILE A 16 -4.777 2.875 4.047 1.00 0.00 C ATOM 231 C ILE A 16 -5.510 2.956 5.387 1.00 0.00 C ATOM 232 O ILE A 16 -6.699 3.271 5.429 1.00 0.00 O ATOM 233 CB ILE A 16 -3.682 3.932 3.880 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.266 5.344 3.960 1.00 0.00 C ATOM 235 CG2 ILE A 16 -2.898 3.709 2.585 1.00 0.00 C ATOM 236 CD1 ILE A 16 -3.823 6.049 5.243 1.00 0.00 C ATOM 0 H ILE A 16 -6.238 3.857 2.909 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.267 1.912 4.021 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.978 3.828 4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.946 5.923 3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.354 5.294 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.126 4.473 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.432 2.724 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.576 3.771 1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.252 7.051 5.275 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.165 5.480 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.735 6.119 5.263 1.00 0.00 H new ATOM 247 N VAL A 17 -4.773 2.667 6.448 1.00 0.00 N ATOM 248 CA VAL A 17 -5.338 2.704 7.785 1.00 0.00 C ATOM 249 C VAL A 17 -4.214 2.895 8.805 1.00 0.00 C ATOM 250 O VAL A 17 -3.036 2.840 8.453 1.00 0.00 O ATOM 251 CB VAL A 17 -6.165 1.441 8.038 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.278 0.194 8.031 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.947 1.551 9.349 1.00 0.00 C ATOM 0 H VAL A 17 -3.788 2.406 6.409 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.018 3.550 7.888 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.885 1.344 7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.890 -0.689 8.213 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.787 0.102 7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.523 0.280 8.813 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.526 0.641 9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.251 1.685 10.177 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.621 2.406 9.300 1.00 0.00 H new ATOM 263 N GLY A 18 -4.616 3.116 10.048 1.00 0.00 N ATOM 264 CA GLY A 18 -3.658 3.317 11.121 1.00 0.00 C ATOM 265 C GLY A 18 -4.123 2.630 12.407 1.00 0.00 C ATOM 266 O GLY A 18 -4.993 1.761 12.371 1.00 0.00 O ATOM 0 H GLY A 18 -5.594 3.160 10.336 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.686 2.922 10.824 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.527 4.384 11.301 1.00 0.00 H new ATOM 270 N GLN A 19 -3.523 3.047 13.513 1.00 0.00 N ATOM 271 CA GLN A 19 -3.864 2.484 14.807 1.00 0.00 C ATOM 272 C GLN A 19 -3.011 3.121 15.906 1.00 0.00 C ATOM 273 O GLN A 19 -3.532 3.537 16.939 1.00 0.00 O ATOM 274 CB GLN A 19 -3.705 0.963 14.802 1.00 0.00 C ATOM 275 CG GLN A 19 -4.961 0.278 15.345 1.00 0.00 C ATOM 276 CD GLN A 19 -4.736 -1.226 15.516 1.00 0.00 C ATOM 277 OE1 GLN A 19 -4.869 -1.654 16.768 1.00 0.00 O flip ATOM 278 NE2 GLN A 19 -4.461 -1.949 14.573 1.00 0.00 N flip ATOM 0 H GLN A 19 -2.803 3.769 13.538 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.911 2.706 15.013 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.508 0.618 13.787 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.843 0.682 15.407 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.235 0.719 16.303 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.796 0.449 14.665 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.374 -1.555 13.636 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.318 -2.948 14.721 1.00 0.00 H new ATOM 285 N SER A 20 -1.713 3.178 15.644 1.00 0.00 N ATOM 286 CA SER A 20 -0.782 3.757 16.597 1.00 0.00 C ATOM 287 C SER A 20 -0.749 2.915 17.874 1.00 0.00 C ATOM 288 O SER A 20 -1.747 2.826 18.588 1.00 0.00 O ATOM 289 CB SER A 20 -1.158 5.204 16.924 1.00 0.00 C ATOM 290 OG SER A 20 -0.288 6.137 16.288 1.00 0.00 O ATOM 0 H SER A 20 -1.285 2.833 14.785 1.00 0.00 H new ATOM 0 HA SER A 20 0.211 3.761 16.147 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.184 5.392 16.609 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.123 5.353 18.003 1.00 0.00 H new ATOM 0 HG SER A 20 -0.561 7.049 16.519 1.00 0.00 H new ATOM 295 N ASN A 21 0.408 2.320 18.122 1.00 0.00 N ATOM 296 CA ASN A 21 0.584 1.489 19.301 1.00 0.00 C ATOM 297 C ASN A 21 1.964 1.753 19.905 1.00 0.00 C ATOM 298 O ASN A 21 2.984 1.467 19.281 1.00 0.00 O ATOM 299 CB ASN A 21 0.500 0.003 18.945 1.00 0.00 C ATOM 300 CG ASN A 21 -0.090 -0.806 20.102 1.00 0.00 C ATOM 301 OD1 ASN A 21 -1.159 -0.517 20.613 1.00 0.00 O ATOM 302 ND2 ASN A 21 0.664 -1.833 20.483 1.00 0.00 N ATOM 0 H ASN A 21 1.233 2.397 17.527 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.208 1.736 20.008 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.115 -0.127 18.055 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.494 -0.373 18.703 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.357 -2.435 21.247 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.549 -2.018 20.011 1.00 0.00 H new ATOM 308 N ASP A 22 1.952 2.297 21.114 1.00 0.00 N ATOM 309 CA ASP A 22 3.190 2.604 21.809 1.00 0.00 C ATOM 310 C ASP A 22 3.946 1.304 22.092 1.00 0.00 C ATOM 311 O ASP A 22 3.767 0.693 23.144 1.00 0.00 O ATOM 312 CB ASP A 22 2.914 3.290 23.149 1.00 0.00 C ATOM 313 CG ASP A 22 2.188 4.634 23.049 1.00 0.00 C ATOM 314 OD1 ASP A 22 0.997 4.692 22.709 1.00 0.00 O ATOM 315 OD2 ASP A 22 2.906 5.664 23.343 1.00 0.00 O ATOM 0 H ASP A 22 1.104 2.533 21.629 1.00 0.00 H new ATOM 0 HA ASP A 22 3.776 3.270 21.176 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.320 2.618 23.769 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.862 3.444 23.664 1.00 0.00 H new ATOM 320 N ARG A 23 4.776 0.920 21.132 1.00 0.00 N ATOM 321 CA ARG A 23 5.561 -0.296 21.264 1.00 0.00 C ATOM 322 C ARG A 23 6.419 -0.512 20.016 1.00 0.00 C ATOM 323 O ARG A 23 6.205 -1.464 19.268 1.00 0.00 O ATOM 324 CB ARG A 23 4.658 -1.514 21.471 1.00 0.00 C ATOM 325 CG ARG A 23 5.326 -2.542 22.387 1.00 0.00 C ATOM 326 CD ARG A 23 4.715 -2.503 23.790 1.00 0.00 C ATOM 327 NE ARG A 23 5.436 -1.520 24.628 1.00 0.00 N ATOM 328 CZ ARG A 23 4.921 -0.951 25.740 1.00 0.00 C ATOM 329 NH1 ARG A 23 3.676 -1.265 26.156 1.00 0.00 N ATOM 330 NH2 ARG A 23 5.655 -0.084 26.413 1.00 0.00 N ATOM 0 H ARG A 23 4.922 1.429 20.260 1.00 0.00 H new ATOM 0 HA ARG A 23 6.205 -0.182 22.136 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.709 -1.198 21.904 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.432 -1.972 20.508 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.212 -3.540 21.964 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.396 -2.341 22.446 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.660 -2.237 23.729 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.768 -3.491 24.247 1.00 0.00 H new ATOM 0 HE ARG A 23 6.381 -1.255 24.349 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.117 -1.936 25.630 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.295 -0.831 26.997 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.595 0.147 26.091 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.282 0.355 27.255 1.00 0.00 H new ATOM 340 N GLY A 24 7.374 0.389 19.831 1.00 0.00 N ATOM 341 CA GLY A 24 8.266 0.309 18.687 1.00 0.00 C ATOM 342 C GLY A 24 7.525 -0.200 17.448 1.00 0.00 C ATOM 343 O GLY A 24 7.669 -1.360 17.067 1.00 0.00 O ATOM 0 H GLY A 24 7.549 1.177 20.454 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.691 1.292 18.483 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.098 -0.356 18.916 1.00 0.00 H new ATOM 347 N ASP A 25 6.748 0.695 16.855 1.00 0.00 N ATOM 348 CA ASP A 25 5.984 0.352 15.668 1.00 0.00 C ATOM 349 C ASP A 25 4.905 1.412 15.436 1.00 0.00 C ATOM 350 O ASP A 25 4.095 1.680 16.321 1.00 0.00 O ATOM 351 CB ASP A 25 5.291 -1.002 15.831 1.00 0.00 C ATOM 352 CG ASP A 25 5.716 -2.073 14.824 1.00 0.00 C ATOM 353 OD1 ASP A 25 5.257 -2.084 13.672 1.00 0.00 O ATOM 354 OD2 ASP A 25 6.566 -2.934 15.270 1.00 0.00 O ATOM 0 H ASP A 25 6.631 1.657 17.175 1.00 0.00 H new ATOM 0 HA ASP A 25 6.674 0.304 14.825 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.485 -1.374 16.837 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.214 -0.854 15.748 1.00 0.00 H new ATOM 359 N GLY A 26 4.929 1.984 14.242 1.00 0.00 N ATOM 360 CA GLY A 26 3.964 3.008 13.883 1.00 0.00 C ATOM 361 C GLY A 26 4.089 3.388 12.407 1.00 0.00 C ATOM 362 O GLY A 26 4.855 4.285 12.056 1.00 0.00 O ATOM 0 H GLY A 26 5.602 1.757 13.510 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.955 2.648 14.085 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.118 3.891 14.503 1.00 0.00 H new ATOM 366 N GLY A 27 3.327 2.687 11.581 1.00 0.00 N ATOM 367 CA GLY A 27 3.344 2.939 10.150 1.00 0.00 C ATOM 368 C GLY A 27 2.006 2.560 9.511 1.00 0.00 C ATOM 369 O GLY A 27 1.609 1.396 9.537 1.00 0.00 O ATOM 0 H GLY A 27 2.693 1.944 11.875 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.554 3.992 9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.148 2.367 9.686 1.00 0.00 H new ATOM 373 N ILE A 28 1.348 3.565 8.952 1.00 0.00 N ATOM 374 CA ILE A 28 0.064 3.352 8.307 1.00 0.00 C ATOM 375 C ILE A 28 0.181 2.194 7.315 1.00 0.00 C ATOM 376 O ILE A 28 1.167 2.095 6.584 1.00 0.00 O ATOM 377 CB ILE A 28 -0.442 4.652 7.678 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.606 5.746 8.735 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.734 4.416 6.893 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.814 5.465 9.630 1.00 0.00 C ATOM 0 H ILE A 28 1.680 4.529 8.933 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.688 3.067 9.042 1.00 0.00 H new ATOM 0 HB ILE A 28 0.307 5.000 6.967 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.296 5.807 9.344 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.727 6.713 8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.071 5.356 6.457 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.550 3.693 6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.502 4.031 7.564 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.909 6.257 10.373 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.717 5.429 9.021 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.678 4.509 10.135 1.00 0.00 H new ATOM 391 N TYR A 29 -0.836 1.346 7.319 1.00 0.00 N ATOM 392 CA TYR A 29 -0.859 0.198 6.429 1.00 0.00 C ATOM 393 C TYR A 29 -2.151 0.166 5.610 1.00 0.00 C ATOM 394 O TYR A 29 -3.123 0.840 5.948 1.00 0.00 O ATOM 395 CB TYR A 29 -0.810 -1.036 7.331 1.00 0.00 C ATOM 396 CG TYR A 29 -1.686 -0.929 8.581 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.322 -0.080 9.606 1.00 0.00 C ATOM 398 CD2 TYR A 29 -2.838 -1.682 8.683 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.147 0.021 10.782 1.00 0.00 C ATOM 400 CE2 TYR A 29 -3.662 -1.580 9.860 1.00 0.00 C ATOM 401 CZ TYR A 29 -3.276 -0.734 10.852 1.00 0.00 C ATOM 402 OH TYR A 29 -4.054 -0.638 11.963 1.00 0.00 O ATOM 0 H TYR A 29 -1.652 1.431 7.926 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.024 0.237 5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.122 -1.907 6.755 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.222 -1.209 7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.420 0.508 9.526 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.122 -2.347 7.881 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.875 0.682 11.591 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.567 -2.163 9.953 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.654 0.132 11.877 1.00 0.00 H new ATOM 411 N ILE A 30 -2.120 -0.624 4.546 1.00 0.00 N ATOM 412 CA ILE A 30 -3.275 -0.753 3.675 1.00 0.00 C ATOM 413 C ILE A 30 -4.489 -1.178 4.506 1.00 0.00 C ATOM 414 O ILE A 30 -4.446 -2.195 5.197 1.00 0.00 O ATOM 415 CB ILE A 30 -2.966 -1.696 2.511 1.00 0.00 C ATOM 416 CG1 ILE A 30 -3.801 -1.339 1.279 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.151 -3.157 2.924 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.335 -0.017 0.666 1.00 0.00 C ATOM 0 H ILE A 30 -1.312 -1.181 4.268 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.519 0.207 3.220 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.918 -1.569 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.722 -2.135 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.852 -1.265 1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.925 -3.806 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.478 -3.390 3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.182 -3.318 3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.944 0.214 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.438 0.781 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.290 -0.103 0.367 1.00 0.00 H new ATOM 429 N GLY A 31 -5.541 -0.379 4.409 1.00 0.00 N ATOM 430 CA GLY A 31 -6.763 -0.661 5.141 1.00 0.00 C ATOM 431 C GLY A 31 -7.300 -2.052 4.801 1.00 0.00 C ATOM 432 O GLY A 31 -7.629 -2.830 5.695 1.00 0.00 O ATOM 0 H GLY A 31 -5.572 0.463 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.573 -0.593 6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.515 0.091 4.902 1.00 0.00 H new ATOM 436 N SER A 32 -7.371 -2.322 3.506 1.00 0.00 N ATOM 437 CA SER A 32 -7.862 -3.608 3.036 1.00 0.00 C ATOM 438 C SER A 32 -7.838 -3.649 1.507 1.00 0.00 C ATOM 439 O SER A 32 -7.833 -2.607 0.854 1.00 0.00 O ATOM 440 CB SER A 32 -9.276 -3.879 3.552 1.00 0.00 C ATOM 441 OG SER A 32 -9.272 -4.709 4.711 1.00 0.00 O ATOM 0 H SER A 32 -7.097 -1.674 2.768 1.00 0.00 H new ATOM 0 HA SER A 32 -7.207 -4.388 3.425 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.764 -2.933 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.863 -4.355 2.767 1.00 0.00 H new ATOM 0 HG SER A 32 -8.700 -4.308 5.399 1.00 0.00 H new ATOM 446 N ILE A 33 -7.824 -4.865 0.980 1.00 0.00 N ATOM 447 CA ILE A 33 -7.801 -5.057 -0.460 1.00 0.00 C ATOM 448 C ILE A 33 -9.166 -5.569 -0.924 1.00 0.00 C ATOM 449 O ILE A 33 -9.610 -6.634 -0.501 1.00 0.00 O ATOM 450 CB ILE A 33 -6.636 -5.963 -0.861 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.293 -5.275 -0.606 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.775 -6.426 -2.312 1.00 0.00 C ATOM 453 CD1 ILE A 33 -5.141 -4.898 0.869 1.00 0.00 C ATOM 0 H ILE A 33 -7.828 -5.727 1.525 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.626 -4.108 -0.968 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.666 -6.854 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.479 -5.937 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.216 -4.380 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.934 -7.069 -2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.705 -6.982 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.785 -5.558 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.178 -4.411 1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.942 -4.216 1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.194 -5.798 1.482 1.00 0.00 H new ATOM 464 N MET A 34 -9.793 -4.784 -1.788 1.00 0.00 N ATOM 465 CA MET A 34 -11.099 -5.144 -2.314 1.00 0.00 C ATOM 466 C MET A 34 -11.005 -6.375 -3.219 1.00 0.00 C ATOM 467 O MET A 34 -12.023 -6.891 -3.678 1.00 0.00 O ATOM 468 CB MET A 34 -11.672 -3.969 -3.109 1.00 0.00 C ATOM 469 CG MET A 34 -12.182 -2.871 -2.174 1.00 0.00 C ATOM 470 SD MET A 34 -13.669 -2.143 -2.841 1.00 0.00 S ATOM 471 CE MET A 34 -14.888 -2.896 -1.776 1.00 0.00 C ATOM 0 H MET A 34 -9.421 -3.901 -2.137 1.00 0.00 H new ATOM 0 HA MET A 34 -11.754 -5.381 -1.476 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.905 -3.563 -3.768 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.486 -4.318 -3.744 1.00 0.00 H new ATOM 0 HG2 MET A 34 -12.382 -3.287 -1.187 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.417 -2.105 -2.048 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.882 -2.547 -2.057 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.841 -3.980 -1.879 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.686 -2.621 -0.741 1.00 0.00 H new ATOM 479 N LYS A 35 -9.774 -6.808 -3.448 1.00 0.00 N ATOM 480 CA LYS A 35 -9.534 -7.968 -4.290 1.00 0.00 C ATOM 481 C LYS A 35 -9.901 -7.628 -5.736 1.00 0.00 C ATOM 482 O LYS A 35 -9.179 -6.892 -6.407 1.00 0.00 O ATOM 483 CB LYS A 35 -10.271 -9.191 -3.740 1.00 0.00 C ATOM 484 CG LYS A 35 -9.544 -9.767 -2.524 1.00 0.00 C ATOM 485 CD LYS A 35 -9.384 -11.284 -2.648 1.00 0.00 C ATOM 486 CE LYS A 35 -10.275 -12.014 -1.642 1.00 0.00 C ATOM 487 NZ LYS A 35 -10.977 -13.142 -2.295 1.00 0.00 N ATOM 0 H LYS A 35 -8.932 -6.377 -3.065 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.476 -8.232 -4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.288 -8.913 -3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.349 -9.952 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.563 -9.301 -2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.100 -9.529 -1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.639 -11.598 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.342 -11.558 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.671 -12.384 -0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.002 -11.320 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.578 -13.627 -1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.569 -12.781 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.279 -13.812 -2.676 1.00 0.00 H new ATOM 496 N GLY A 36 -11.022 -8.181 -6.174 1.00 0.00 N ATOM 497 CA GLY A 36 -11.493 -7.946 -7.528 1.00 0.00 C ATOM 498 C GLY A 36 -10.830 -8.909 -8.515 1.00 0.00 C ATOM 499 O GLY A 36 -11.496 -9.464 -9.388 1.00 0.00 O ATOM 0 H GLY A 36 -11.618 -8.791 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.575 -8.069 -7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.278 -6.918 -7.818 1.00 0.00 H new ATOM 503 N GLY A 37 -9.528 -9.079 -8.343 1.00 0.00 N ATOM 504 CA GLY A 37 -8.768 -9.966 -9.206 1.00 0.00 C ATOM 505 C GLY A 37 -7.397 -9.369 -9.535 1.00 0.00 C ATOM 506 O GLY A 37 -6.541 -10.048 -10.101 1.00 0.00 O ATOM 0 H GLY A 37 -8.979 -8.617 -7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.640 -10.932 -8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.322 -10.145 -10.128 1.00 0.00 H new ATOM 510 N ALA A 38 -7.233 -8.108 -9.166 1.00 0.00 N ATOM 511 CA ALA A 38 -5.981 -7.413 -9.415 1.00 0.00 C ATOM 512 C ALA A 38 -4.987 -7.749 -8.302 1.00 0.00 C ATOM 513 O ALA A 38 -4.057 -8.527 -8.510 1.00 0.00 O ATOM 514 CB ALA A 38 -6.245 -5.910 -9.527 1.00 0.00 C ATOM 0 H ALA A 38 -7.946 -7.549 -8.697 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.542 -7.738 -10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.306 -5.389 -9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.934 -5.722 -10.350 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.683 -5.547 -8.597 1.00 0.00 H new ATOM 520 N VAL A 39 -5.216 -7.145 -7.145 1.00 0.00 N ATOM 521 CA VAL A 39 -4.351 -7.371 -5.999 1.00 0.00 C ATOM 522 C VAL A 39 -4.672 -8.734 -5.384 1.00 0.00 C ATOM 523 O VAL A 39 -3.846 -9.311 -4.679 1.00 0.00 O ATOM 524 CB VAL A 39 -4.491 -6.218 -5.002 1.00 0.00 C ATOM 525 CG1 VAL A 39 -3.546 -6.402 -3.814 1.00 0.00 C ATOM 526 CG2 VAL A 39 -4.256 -4.870 -5.687 1.00 0.00 C ATOM 0 H VAL A 39 -5.988 -6.500 -6.976 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.306 -7.391 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.512 -6.227 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.666 -5.569 -3.121 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.781 -7.336 -3.303 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.516 -6.433 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.361 -4.068 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.251 -4.847 -6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.988 -4.734 -6.483 1.00 0.00 H new ATOM 536 N ALA A 40 -5.874 -9.211 -5.674 1.00 0.00 N ATOM 537 CA ALA A 40 -6.313 -10.496 -5.159 1.00 0.00 C ATOM 538 C ALA A 40 -5.447 -11.606 -5.759 1.00 0.00 C ATOM 539 O ALA A 40 -5.007 -12.508 -5.049 1.00 0.00 O ATOM 540 CB ALA A 40 -7.800 -10.687 -5.464 1.00 0.00 C ATOM 0 H ALA A 40 -6.557 -8.730 -6.259 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.194 -10.536 -4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.130 -11.651 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.374 -9.891 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.957 -10.655 -6.542 1.00 0.00 H new ATOM 546 N ALA A 41 -5.228 -11.501 -7.062 1.00 0.00 N ATOM 547 CA ALA A 41 -4.422 -12.483 -7.766 1.00 0.00 C ATOM 548 C ALA A 41 -2.962 -12.345 -7.333 1.00 0.00 C ATOM 549 O ALA A 41 -2.182 -13.288 -7.454 1.00 0.00 O ATOM 550 CB ALA A 41 -4.602 -12.304 -9.275 1.00 0.00 C ATOM 0 H ALA A 41 -5.595 -10.751 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.745 -13.494 -7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.997 -13.041 -9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.651 -12.442 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.286 -11.301 -9.563 1.00 0.00 H new ATOM 556 N ASP A 42 -2.635 -11.161 -6.837 1.00 0.00 N ATOM 557 CA ASP A 42 -1.282 -10.886 -6.384 1.00 0.00 C ATOM 558 C ASP A 42 -0.866 -11.945 -5.361 1.00 0.00 C ATOM 559 O ASP A 42 0.238 -12.485 -5.435 1.00 0.00 O ATOM 560 CB ASP A 42 -1.195 -9.516 -5.708 1.00 0.00 C ATOM 561 CG ASP A 42 0.030 -8.682 -6.091 1.00 0.00 C ATOM 562 OD1 ASP A 42 0.702 -8.960 -7.095 1.00 0.00 O ATOM 563 OD2 ASP A 42 0.289 -7.697 -5.298 1.00 0.00 O ATOM 0 H ASP A 42 -3.284 -10.380 -6.739 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.626 -10.901 -7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.093 -8.949 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.194 -9.660 -4.628 1.00 0.00 H new ATOM 568 N GLY A 43 -1.771 -12.212 -4.431 1.00 0.00 N ATOM 569 CA GLY A 43 -1.511 -13.198 -3.396 1.00 0.00 C ATOM 570 C GLY A 43 -2.279 -12.862 -2.115 1.00 0.00 C ATOM 571 O GLY A 43 -1.682 -12.722 -1.049 1.00 0.00 O ATOM 0 H GLY A 43 -2.685 -11.763 -4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.801 -14.187 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.442 -13.236 -3.185 1.00 0.00 H new ATOM 575 N ARG A 44 -3.589 -12.741 -2.263 1.00 0.00 N ATOM 576 CA ARG A 44 -4.445 -12.426 -1.131 1.00 0.00 C ATOM 577 C ARG A 44 -3.752 -11.420 -0.208 1.00 0.00 C ATOM 578 O ARG A 44 -3.528 -11.704 0.967 1.00 0.00 O ATOM 579 CB ARG A 44 -4.791 -13.685 -0.335 1.00 0.00 C ATOM 580 CG ARG A 44 -5.617 -14.657 -1.179 1.00 0.00 C ATOM 581 CD ARG A 44 -4.890 -15.994 -1.341 1.00 0.00 C ATOM 582 NE ARG A 44 -5.873 -17.095 -1.446 1.00 0.00 N ATOM 583 CZ ARG A 44 -6.727 -17.253 -2.480 1.00 0.00 C ATOM 584 NH1 ARG A 44 -6.724 -16.380 -3.509 1.00 0.00 N ATOM 585 NH2 ARG A 44 -7.563 -18.273 -2.469 1.00 0.00 N ATOM 0 H ARG A 44 -4.080 -12.855 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.366 -11.993 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.875 -14.173 -0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.348 -13.411 0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.586 -14.820 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.808 -14.221 -2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.262 -15.970 -2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.230 -16.164 -0.490 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.908 -17.778 -0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.074 -15.594 -3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.372 -16.506 -4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.558 -18.928 -1.687 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.215 -18.407 -3.242 1.00 0.00 H new ATOM 595 N ILE A 45 -3.434 -10.266 -0.775 1.00 0.00 N ATOM 596 CA ILE A 45 -2.772 -9.218 -0.018 1.00 0.00 C ATOM 597 C ILE A 45 -3.435 -9.091 1.355 1.00 0.00 C ATOM 598 O ILE A 45 -4.529 -9.610 1.571 1.00 0.00 O ATOM 599 CB ILE A 45 -2.753 -7.911 -0.815 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.784 -8.004 -1.996 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.438 -6.720 0.092 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.412 -8.505 -1.542 1.00 0.00 C ATOM 0 H ILE A 45 -3.623 -10.034 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.727 -9.475 0.154 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.749 -7.747 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.189 -8.677 -2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.681 -7.025 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.431 -5.804 -0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.198 -6.644 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.460 -6.862 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.257 -8.562 -2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.001 -7.816 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.515 -9.494 -1.096 1.00 0.00 H new ATOM 613 N GLU A 46 -2.744 -8.395 2.248 1.00 0.00 N ATOM 614 CA GLU A 46 -3.252 -8.194 3.594 1.00 0.00 C ATOM 615 C GLU A 46 -3.271 -6.703 3.936 1.00 0.00 C ATOM 616 O GLU A 46 -2.608 -5.903 3.278 1.00 0.00 O ATOM 617 CB GLU A 46 -2.428 -8.980 4.615 1.00 0.00 C ATOM 618 CG GLU A 46 -2.758 -10.474 4.552 1.00 0.00 C ATOM 619 CD GLU A 46 -3.012 -11.037 5.952 1.00 0.00 C ATOM 620 OE1 GLU A 46 -4.130 -10.916 6.475 1.00 0.00 O ATOM 621 OE2 GLU A 46 -1.999 -11.620 6.497 1.00 0.00 O ATOM 0 H GLU A 46 -1.838 -7.964 2.065 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.274 -8.570 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.366 -8.830 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.627 -8.602 5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.638 -10.630 3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.935 -11.013 4.083 1.00 0.00 H new ATOM 627 N PRO A 47 -4.058 -6.365 4.993 1.00 0.00 N ATOM 628 CA PRO A 47 -4.171 -4.985 5.431 1.00 0.00 C ATOM 629 C PRO A 47 -2.913 -4.542 6.181 1.00 0.00 C ATOM 630 O PRO A 47 -2.481 -3.397 6.054 1.00 0.00 O ATOM 631 CB PRO A 47 -5.421 -4.946 6.294 1.00 0.00 C ATOM 632 CG PRO A 47 -5.699 -6.389 6.687 1.00 0.00 C ATOM 633 CD PRO A 47 -4.856 -7.285 5.796 1.00 0.00 C ATOM 0 HA PRO A 47 -4.256 -4.286 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.268 -4.323 7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.262 -4.521 5.745 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.453 -6.553 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.758 -6.620 6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.222 -7.947 6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.481 -7.919 5.167 1.00 0.00 H new ATOM 638 N GLY A 48 -2.360 -5.472 6.946 1.00 0.00 N ATOM 639 CA GLY A 48 -1.161 -5.193 7.717 1.00 0.00 C ATOM 640 C GLY A 48 0.088 -5.280 6.837 1.00 0.00 C ATOM 641 O GLY A 48 1.209 -5.278 7.343 1.00 0.00 O ATOM 0 H GLY A 48 -2.721 -6.420 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.231 -4.199 8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.080 -5.902 8.541 1.00 0.00 H new ATOM 645 N ASP A 49 -0.147 -5.355 5.535 1.00 0.00 N ATOM 646 CA ASP A 49 0.945 -5.443 4.581 1.00 0.00 C ATOM 647 C ASP A 49 1.981 -4.363 4.898 1.00 0.00 C ATOM 648 O ASP A 49 3.178 -4.569 4.702 1.00 0.00 O ATOM 649 CB ASP A 49 0.447 -5.217 3.152 1.00 0.00 C ATOM 650 CG ASP A 49 0.660 -6.394 2.199 1.00 0.00 C ATOM 651 OD1 ASP A 49 0.595 -7.565 2.606 1.00 0.00 O ATOM 652 OD2 ASP A 49 0.905 -6.069 0.975 1.00 0.00 O ATOM 0 H ASP A 49 -1.078 -5.357 5.119 1.00 0.00 H new ATOM 0 HA ASP A 49 1.381 -6.439 4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.618 -4.985 3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.951 -4.341 2.742 1.00 0.00 H new ATOM 657 N MET A 50 1.483 -3.234 5.382 1.00 0.00 N ATOM 658 CA MET A 50 2.351 -2.121 5.727 1.00 0.00 C ATOM 659 C MET A 50 2.658 -1.263 4.498 1.00 0.00 C ATOM 660 O MET A 50 3.814 -0.933 4.240 1.00 0.00 O ATOM 661 CB MET A 50 3.659 -2.656 6.315 1.00 0.00 C ATOM 662 CG MET A 50 4.144 -1.774 7.468 1.00 0.00 C ATOM 663 SD MET A 50 4.795 -0.240 6.829 1.00 0.00 S ATOM 664 CE MET A 50 5.897 0.207 8.158 1.00 0.00 C ATOM 0 H MET A 50 0.490 -3.066 5.543 1.00 0.00 H new ATOM 0 HA MET A 50 1.839 -1.500 6.462 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.512 -3.676 6.670 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.422 -2.696 5.537 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.321 -1.572 8.154 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.913 -2.296 8.038 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.640 1.201 8.525 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.801 -0.515 8.969 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.924 0.209 7.794 1.00 0.00 H new ATOM 672 N LEU A 51 1.601 -0.927 3.772 1.00 0.00 N ATOM 673 CA LEU A 51 1.744 -0.114 2.576 1.00 0.00 C ATOM 674 C LEU A 51 1.841 1.360 2.976 1.00 0.00 C ATOM 675 O LEU A 51 0.828 2.055 3.047 1.00 0.00 O ATOM 676 CB LEU A 51 0.612 -0.410 1.590 1.00 0.00 C ATOM 677 CG LEU A 51 0.622 0.403 0.294 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.243 1.659 0.428 1.00 0.00 C ATOM 679 CD2 LEU A 51 2.053 0.736 -0.133 1.00 0.00 C ATOM 0 H LEU A 51 0.643 -1.203 3.989 1.00 0.00 H new ATOM 0 HA LEU A 51 2.667 -0.364 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.649 -1.468 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.338 -0.238 2.096 1.00 0.00 H new ATOM 0 HG LEU A 51 0.184 -0.207 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.219 2.219 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.270 1.371 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.143 2.282 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.032 1.314 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.540 1.319 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.608 -0.188 -0.296 1.00 0.00 H new ATOM 690 N LEU A 52 3.067 1.793 3.225 1.00 0.00 N ATOM 691 CA LEU A 52 3.310 3.171 3.616 1.00 0.00 C ATOM 692 C LEU A 52 4.399 3.766 2.720 1.00 0.00 C ATOM 693 O LEU A 52 4.844 4.891 2.942 1.00 0.00 O ATOM 694 CB LEU A 52 3.628 3.257 5.110 1.00 0.00 C ATOM 695 CG LEU A 52 5.107 3.158 5.488 1.00 0.00 C ATOM 696 CD1 LEU A 52 5.797 2.034 4.711 1.00 0.00 C ATOM 697 CD2 LEU A 52 5.813 4.503 5.299 1.00 0.00 C ATOM 0 H LEU A 52 3.904 1.213 3.164 1.00 0.00 H new ATOM 0 HA LEU A 52 2.412 3.772 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.239 4.201 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.088 2.461 5.622 1.00 0.00 H new ATOM 0 HG LEU A 52 5.173 2.906 6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.847 1.985 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.314 1.084 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.722 2.232 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.863 4.405 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.739 4.809 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.340 5.254 5.932 1.00 0.00 H new ATOM 708 N GLN A 53 4.797 2.984 1.728 1.00 0.00 N ATOM 709 CA GLN A 53 5.825 3.420 0.798 1.00 0.00 C ATOM 710 C GLN A 53 5.444 3.036 -0.633 1.00 0.00 C ATOM 711 O GLN A 53 4.846 1.985 -0.860 1.00 0.00 O ATOM 712 CB GLN A 53 7.189 2.839 1.176 1.00 0.00 C ATOM 713 CG GLN A 53 7.057 1.381 1.625 1.00 0.00 C ATOM 714 CD GLN A 53 8.162 1.011 2.617 1.00 0.00 C ATOM 715 OE1 GLN A 53 7.815 0.065 3.484 1.00 0.00 O flip ATOM 716 NE2 GLN A 53 9.256 1.551 2.598 1.00 0.00 N flip ATOM 0 H GLN A 53 4.426 2.051 1.548 1.00 0.00 H new ATOM 0 HA GLN A 53 5.901 4.506 0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.864 2.901 0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.632 3.432 1.977 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.082 1.226 2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.107 0.723 0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.457 2.271 1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 53 9.969 1.282 3.276 1.00 0.00 H new ATOM 723 N VAL A 54 5.805 3.909 -1.562 1.00 0.00 N ATOM 724 CA VAL A 54 5.508 3.676 -2.965 1.00 0.00 C ATOM 725 C VAL A 54 6.682 4.158 -3.818 1.00 0.00 C ATOM 726 O VAL A 54 7.400 5.079 -3.428 1.00 0.00 O ATOM 727 CB VAL A 54 4.183 4.344 -3.338 1.00 0.00 C ATOM 728 CG1 VAL A 54 3.944 4.283 -4.848 1.00 0.00 C ATOM 729 CG2 VAL A 54 3.017 3.715 -2.572 1.00 0.00 C ATOM 0 H VAL A 54 6.301 4.779 -1.370 1.00 0.00 H new ATOM 0 HA VAL A 54 5.384 2.610 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 54 4.245 5.394 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.996 4.765 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.753 4.799 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.913 3.242 -5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.087 4.208 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.953 2.654 -2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.179 3.834 -1.501 1.00 0.00 H new ATOM 739 N ASN A 55 6.842 3.517 -4.966 1.00 0.00 N ATOM 740 CA ASN A 55 7.917 3.870 -5.878 1.00 0.00 C ATOM 741 C ASN A 55 9.139 4.313 -5.071 1.00 0.00 C ATOM 742 O ASN A 55 9.446 3.729 -4.032 1.00 0.00 O ATOM 743 CB ASN A 55 7.508 5.028 -6.790 1.00 0.00 C ATOM 744 CG ASN A 55 7.146 6.269 -5.972 1.00 0.00 C ATOM 745 OD1 ASN A 55 6.246 6.261 -5.149 1.00 0.00 O ATOM 746 ND2 ASN A 55 7.896 7.333 -6.243 1.00 0.00 N ATOM 0 H ASN A 55 6.245 2.755 -5.286 1.00 0.00 H new ATOM 0 HA ASN A 55 8.144 2.995 -6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.324 5.264 -7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.656 4.730 -7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.733 8.211 -5.749 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.634 7.272 -6.944 1.00 0.00 H new ATOM 752 N ASP A 56 9.803 5.340 -5.579 1.00 0.00 N ATOM 753 CA ASP A 56 10.985 5.867 -4.919 1.00 0.00 C ATOM 754 C ASP A 56 10.556 6.793 -3.778 1.00 0.00 C ATOM 755 O ASP A 56 11.387 7.480 -3.186 1.00 0.00 O ATOM 756 CB ASP A 56 11.843 6.681 -5.890 1.00 0.00 C ATOM 757 CG ASP A 56 11.368 8.116 -6.126 1.00 0.00 C ATOM 758 OD1 ASP A 56 11.226 8.904 -5.180 1.00 0.00 O ATOM 759 OD2 ASP A 56 11.138 8.418 -7.358 1.00 0.00 O ATOM 0 H ASP A 56 9.545 5.822 -6.440 1.00 0.00 H new ATOM 0 HA ASP A 56 11.566 5.024 -4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.865 6.710 -5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.873 6.162 -6.848 1.00 0.00 H new ATOM 764 N VAL A 57 9.260 6.781 -3.505 1.00 0.00 N ATOM 765 CA VAL A 57 8.711 7.611 -2.446 1.00 0.00 C ATOM 766 C VAL A 57 8.789 6.854 -1.118 1.00 0.00 C ATOM 767 O VAL A 57 8.816 5.624 -1.102 1.00 0.00 O ATOM 768 CB VAL A 57 7.288 8.044 -2.804 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.456 8.291 -1.544 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.302 9.281 -3.704 1.00 0.00 C ATOM 0 H VAL A 57 8.574 6.210 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 57 9.296 8.524 -2.335 1.00 0.00 H new ATOM 0 HB VAL A 57 6.820 7.231 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.449 8.598 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.405 7.374 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.921 9.077 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.278 9.568 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.797 10.102 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.841 9.055 -4.624 1.00 0.00 H new ATOM 780 N ASN A 58 8.822 7.621 -0.038 1.00 0.00 N ATOM 781 CA ASN A 58 8.896 7.037 1.291 1.00 0.00 C ATOM 782 C ASN A 58 8.097 7.902 2.267 1.00 0.00 C ATOM 783 O ASN A 58 8.646 8.804 2.897 1.00 0.00 O ATOM 784 CB ASN A 58 10.342 6.978 1.786 1.00 0.00 C ATOM 785 CG ASN A 58 10.971 8.373 1.812 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.925 9.120 0.849 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.557 8.680 2.966 1.00 0.00 N ATOM 0 H ASN A 58 8.799 8.641 -0.056 1.00 0.00 H new ATOM 0 HA ASN A 58 8.491 6.026 1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.370 6.544 2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.926 6.324 1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.005 9.589 3.085 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.559 8.007 3.732 1.00 0.00 H new ATOM 793 N PHE A 59 6.811 7.596 2.363 1.00 0.00 N ATOM 794 CA PHE A 59 5.930 8.334 3.252 1.00 0.00 C ATOM 795 C PHE A 59 6.080 7.853 4.696 1.00 0.00 C ATOM 796 O PHE A 59 5.098 7.479 5.336 1.00 0.00 O ATOM 797 CB PHE A 59 4.497 8.068 2.785 1.00 0.00 C ATOM 798 CG PHE A 59 4.153 8.707 1.438 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.562 9.975 1.163 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.439 8.008 0.517 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.242 10.568 -0.087 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.119 8.602 -0.733 1.00 0.00 C ATOM 803 CZ PHE A 59 3.528 9.869 -1.009 1.00 0.00 C ATOM 0 H PHE A 59 6.358 6.847 1.839 1.00 0.00 H new ATOM 0 HA PHE A 59 6.177 9.395 3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.343 6.991 2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.805 8.441 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.130 10.530 1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.115 7.001 0.735 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.566 11.575 -0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.551 8.047 -1.465 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.286 10.320 -1.960 1.00 0.00 H new ATOM 812 N GLU A 60 7.318 7.876 5.168 1.00 0.00 N ATOM 813 CA GLU A 60 7.610 7.446 6.526 1.00 0.00 C ATOM 814 C GLU A 60 7.083 8.472 7.532 1.00 0.00 C ATOM 815 O GLU A 60 6.129 8.200 8.258 1.00 0.00 O ATOM 816 CB GLU A 60 9.109 7.211 6.716 1.00 0.00 C ATOM 817 CG GLU A 60 9.588 6.022 5.880 1.00 0.00 C ATOM 818 CD GLU A 60 9.898 4.817 6.770 1.00 0.00 C ATOM 819 OE1 GLU A 60 10.611 4.956 7.775 1.00 0.00 O ATOM 820 OE2 GLU A 60 9.369 3.705 6.386 1.00 0.00 O ATOM 0 H GLU A 60 8.130 8.186 4.635 1.00 0.00 H new ATOM 0 HA GLU A 60 7.102 6.498 6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.660 8.107 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.322 7.029 7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.823 5.753 5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.479 6.303 5.318 1.00 0.00 H new ATOM 826 N ASN A 61 7.729 9.630 7.542 1.00 0.00 N ATOM 827 CA ASN A 61 7.338 10.697 8.446 1.00 0.00 C ATOM 828 C ASN A 61 5.826 10.910 8.353 1.00 0.00 C ATOM 829 O ASN A 61 5.205 11.399 9.296 1.00 0.00 O ATOM 830 CB ASN A 61 8.024 12.013 8.075 1.00 0.00 C ATOM 831 CG ASN A 61 8.988 12.458 9.177 1.00 0.00 C ATOM 832 OD1 ASN A 61 10.195 12.312 9.079 1.00 0.00 O ATOM 833 ND2 ASN A 61 8.389 13.009 10.229 1.00 0.00 N ATOM 0 H ASN A 61 8.520 9.851 6.938 1.00 0.00 H new ATOM 0 HA ASN A 61 7.633 10.409 9.455 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.568 11.892 7.138 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.273 12.785 7.910 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.945 13.339 11.018 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.373 13.101 10.247 1.00 0.00 H new ATOM 839 N MET A 62 5.276 10.532 7.208 1.00 0.00 N ATOM 840 CA MET A 62 3.848 10.676 6.980 1.00 0.00 C ATOM 841 C MET A 62 3.048 9.801 7.947 1.00 0.00 C ATOM 842 O MET A 62 2.613 10.270 8.998 1.00 0.00 O ATOM 843 CB MET A 62 3.519 10.278 5.539 1.00 0.00 C ATOM 844 CG MET A 62 2.008 10.285 5.302 1.00 0.00 C ATOM 845 SD MET A 62 1.558 11.676 4.277 1.00 0.00 S ATOM 846 CE MET A 62 2.446 11.264 2.786 1.00 0.00 C ATOM 0 H MET A 62 5.794 10.126 6.428 1.00 0.00 H new ATOM 0 HA MET A 62 3.574 11.717 7.150 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.003 10.968 4.848 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.919 9.286 5.331 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.702 9.355 4.822 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.482 10.340 6.255 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.274 12.035 2.035 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.512 11.201 3.003 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.096 10.304 2.407 1.00 0.00 H new ATOM 854 N SER A 63 2.877 8.547 7.557 1.00 0.00 N ATOM 855 CA SER A 63 2.137 7.603 8.377 1.00 0.00 C ATOM 856 C SER A 63 0.977 8.314 9.077 1.00 0.00 C ATOM 857 O SER A 63 0.801 8.180 10.287 1.00 0.00 O ATOM 858 CB SER A 63 3.048 6.934 9.407 1.00 0.00 C ATOM 859 OG SER A 63 2.313 6.403 10.506 1.00 0.00 O ATOM 0 H SER A 63 3.238 8.162 6.684 1.00 0.00 H new ATOM 0 HA SER A 63 1.738 6.825 7.726 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.611 6.134 8.927 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.774 7.659 9.774 1.00 0.00 H new ATOM 0 HG SER A 63 1.785 7.116 10.922 1.00 0.00 H new ATOM 864 N ASN A 64 0.216 9.056 8.285 1.00 0.00 N ATOM 865 CA ASN A 64 -0.922 9.788 8.814 1.00 0.00 C ATOM 866 C ASN A 64 -2.200 8.982 8.572 1.00 0.00 C ATOM 867 O ASN A 64 -2.255 8.158 7.660 1.00 0.00 O ATOM 868 CB ASN A 64 -1.078 11.141 8.116 1.00 0.00 C ATOM 869 CG ASN A 64 -1.555 12.213 9.099 1.00 0.00 C ATOM 870 OD1 ASN A 64 -2.081 11.927 10.162 1.00 0.00 O ATOM 871 ND2 ASN A 64 -1.342 13.459 8.685 1.00 0.00 N ATOM 0 H ASN A 64 0.365 9.166 7.282 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.755 9.948 9.879 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.125 11.441 7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.791 11.051 7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.624 14.246 9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.896 13.628 7.783 1.00 0.00 H new ATOM 877 N ASP A 65 -3.196 9.247 9.405 1.00 0.00 N ATOM 878 CA ASP A 65 -4.469 8.556 9.294 1.00 0.00 C ATOM 879 C ASP A 65 -5.249 9.123 8.106 1.00 0.00 C ATOM 880 O ASP A 65 -6.395 9.546 8.255 1.00 0.00 O ATOM 881 CB ASP A 65 -5.315 8.754 10.552 1.00 0.00 C ATOM 882 CG ASP A 65 -6.190 7.559 10.939 1.00 0.00 C ATOM 883 OD1 ASP A 65 -6.904 6.992 10.097 1.00 0.00 O ATOM 884 OD2 ASP A 65 -6.118 7.209 12.178 1.00 0.00 O ATOM 0 H ASP A 65 -3.147 9.931 10.160 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.266 7.494 9.160 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.651 8.984 11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.957 9.623 10.407 1.00 0.00 H new ATOM 889 N ASP A 66 -4.598 9.112 6.952 1.00 0.00 N ATOM 890 CA ASP A 66 -5.216 9.620 5.739 1.00 0.00 C ATOM 891 C ASP A 66 -4.125 10.037 4.751 1.00 0.00 C ATOM 892 O ASP A 66 -4.221 11.092 4.125 1.00 0.00 O ATOM 893 CB ASP A 66 -6.083 10.846 6.034 1.00 0.00 C ATOM 894 CG ASP A 66 -5.488 11.829 7.044 1.00 0.00 C ATOM 895 OD1 ASP A 66 -4.273 12.074 7.058 1.00 0.00 O ATOM 896 OD2 ASP A 66 -6.341 12.362 7.853 1.00 0.00 O ATOM 0 H ASP A 66 -3.649 8.759 6.831 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.840 8.830 5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.268 11.376 5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.050 10.508 6.405 1.00 0.00 H new ATOM 901 N ALA A 67 -3.113 9.190 4.644 1.00 0.00 N ATOM 902 CA ALA A 67 -2.004 9.458 3.743 1.00 0.00 C ATOM 903 C ALA A 67 -2.475 9.284 2.297 1.00 0.00 C ATOM 904 O ALA A 67 -1.762 9.644 1.361 1.00 0.00 O ATOM 905 CB ALA A 67 -0.831 8.540 4.089 1.00 0.00 C ATOM 0 H ALA A 67 -3.037 8.317 5.166 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.657 10.485 3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.000 8.741 3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.516 8.723 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.140 7.500 3.984 1.00 0.00 H new ATOM 911 N VAL A 68 -3.670 8.731 2.160 1.00 0.00 N ATOM 912 CA VAL A 68 -4.243 8.504 0.844 1.00 0.00 C ATOM 913 C VAL A 68 -4.343 9.837 0.100 1.00 0.00 C ATOM 914 O VAL A 68 -4.094 9.900 -1.103 1.00 0.00 O ATOM 915 CB VAL A 68 -5.590 7.790 0.975 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.520 8.157 -0.183 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.400 6.275 1.068 1.00 0.00 C ATOM 0 H VAL A 68 -4.258 8.433 2.938 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.600 7.850 0.255 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.059 8.126 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.470 7.636 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.694 9.233 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.060 7.864 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.372 5.791 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.900 5.915 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.792 6.037 1.941 1.00 0.00 H new ATOM 927 N ARG A 69 -4.709 10.869 0.846 1.00 0.00 N ATOM 928 CA ARG A 69 -4.846 12.197 0.272 1.00 0.00 C ATOM 929 C ARG A 69 -3.659 12.504 -0.643 1.00 0.00 C ATOM 930 O ARG A 69 -3.763 13.336 -1.543 1.00 0.00 O ATOM 931 CB ARG A 69 -4.928 13.263 1.365 1.00 0.00 C ATOM 932 CG ARG A 69 -4.942 14.669 0.760 1.00 0.00 C ATOM 933 CD ARG A 69 -6.066 15.514 1.362 1.00 0.00 C ATOM 934 NE ARG A 69 -7.148 15.698 0.369 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.221 16.495 0.559 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.365 17.190 1.708 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.128 16.585 -0.396 1.00 0.00 N ATOM 0 H ARG A 69 -4.915 10.812 1.843 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.769 12.215 -0.307 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.828 13.110 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.079 13.162 2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.982 15.155 0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.071 14.603 -0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.459 15.028 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.677 16.484 1.672 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.079 15.191 -0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.660 17.115 2.441 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.179 17.790 1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.012 16.057 -1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.945 17.183 -0.269 1.00 0.00 H new ATOM 947 N VAL A 70 -2.558 11.815 -0.381 1.00 0.00 N ATOM 948 CA VAL A 70 -1.353 12.004 -1.170 1.00 0.00 C ATOM 949 C VAL A 70 -1.192 10.829 -2.138 1.00 0.00 C ATOM 950 O VAL A 70 -0.978 11.029 -3.332 1.00 0.00 O ATOM 951 CB VAL A 70 -0.146 12.187 -0.247 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.849 11.037 -0.411 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.531 13.538 -0.490 1.00 0.00 C ATOM 0 H VAL A 70 -2.475 11.126 0.366 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.428 12.911 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.506 12.174 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.697 11.192 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.360 10.095 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.200 11.004 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.385 13.642 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.871 13.594 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.180 14.341 -0.298 1.00 0.00 H new ATOM 963 N LEU A 71 -1.301 9.630 -1.585 1.00 0.00 N ATOM 964 CA LEU A 71 -1.170 8.423 -2.384 1.00 0.00 C ATOM 965 C LEU A 71 -2.057 8.540 -3.625 1.00 0.00 C ATOM 966 O LEU A 71 -1.636 8.195 -4.728 1.00 0.00 O ATOM 967 CB LEU A 71 -1.460 7.184 -1.534 1.00 0.00 C ATOM 968 CG LEU A 71 -0.605 5.951 -1.833 1.00 0.00 C ATOM 969 CD1 LEU A 71 -0.591 5.644 -3.331 1.00 0.00 C ATOM 970 CD2 LEU A 71 0.807 6.113 -1.267 1.00 0.00 C ATOM 0 H LEU A 71 -1.478 9.468 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.145 8.307 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.327 7.448 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.508 6.915 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.055 5.093 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.024 4.763 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.608 5.455 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.178 6.495 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.394 5.223 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.282 6.985 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.753 6.247 -0.187 1.00 0.00 H new ATOM 981 N ARG A 72 -3.268 9.028 -3.404 1.00 0.00 N ATOM 982 CA ARG A 72 -4.219 9.195 -4.490 1.00 0.00 C ATOM 983 C ARG A 72 -3.674 10.181 -5.526 1.00 0.00 C ATOM 984 O ARG A 72 -4.117 10.191 -6.673 1.00 0.00 O ATOM 985 CB ARG A 72 -5.565 9.704 -3.971 1.00 0.00 C ATOM 986 CG ARG A 72 -6.557 9.897 -5.121 1.00 0.00 C ATOM 987 CD ARG A 72 -8.000 9.799 -4.621 1.00 0.00 C ATOM 988 NE ARG A 72 -8.773 8.877 -5.483 1.00 0.00 N ATOM 989 CZ ARG A 72 -9.385 9.245 -6.628 1.00 0.00 C ATOM 990 NH1 ARG A 72 -9.319 10.523 -7.060 1.00 0.00 N ATOM 991 NH2 ARG A 72 -10.049 8.338 -7.320 1.00 0.00 N ATOM 0 H ARG A 72 -3.613 9.314 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.367 8.220 -4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.972 8.996 -3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.423 10.648 -3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.395 10.869 -5.587 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.382 9.143 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.013 9.444 -3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.462 10.786 -4.624 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.848 7.902 -5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.804 11.218 -6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.784 10.793 -7.927 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.094 7.375 -6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.517 8.600 -8.188 1.00 0.00 H new ATOM 1001 N GLU A 73 -2.718 10.987 -5.083 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.108 11.975 -5.957 1.00 0.00 C ATOM 1003 C GLU A 73 -1.124 11.301 -6.914 1.00 0.00 C ATOM 1004 O GLU A 73 -0.802 11.849 -7.967 1.00 0.00 O ATOM 1005 CB GLU A 73 -1.419 13.073 -5.145 1.00 0.00 C ATOM 1006 CG GLU A 73 0.100 12.887 -5.150 1.00 0.00 C ATOM 1007 CD GLU A 73 0.795 14.032 -4.411 1.00 0.00 C ATOM 1008 OE1 GLU A 73 1.335 13.826 -3.314 1.00 0.00 O ATOM 1009 OE2 GLU A 73 0.762 15.171 -5.016 1.00 0.00 O ATOM 0 H GLU A 73 -2.352 10.975 -4.131 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.894 12.445 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.671 14.049 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.788 13.057 -4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.355 11.938 -4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.461 12.840 -6.177 1.00 0.00 H new ATOM 1015 N ILE A 74 -0.673 10.120 -6.514 1.00 0.00 N ATOM 1016 CA ILE A 74 0.267 9.365 -7.323 1.00 0.00 C ATOM 1017 C ILE A 74 -0.418 8.926 -8.619 1.00 0.00 C ATOM 1018 O ILE A 74 -0.416 9.660 -9.606 1.00 0.00 O ATOM 1019 CB ILE A 74 0.859 8.207 -6.518 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.441 8.702 -5.192 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.890 7.434 -7.343 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.945 8.954 -5.314 1.00 0.00 C ATOM 0 H ILE A 74 -0.942 9.668 -5.640 1.00 0.00 H new ATOM 0 HA ILE A 74 1.113 9.991 -7.606 1.00 0.00 H new ATOM 0 HB ILE A 74 0.054 7.513 -6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.938 9.621 -4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.254 7.965 -4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.295 6.617 -6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.413 7.030 -8.236 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.698 8.104 -7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.334 9.305 -4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.448 8.028 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.127 9.709 -6.079 1.00 0.00 H new ATOM 1033 N VAL A 75 -0.988 7.730 -8.574 1.00 0.00 N ATOM 1034 CA VAL A 75 -1.675 7.184 -9.731 1.00 0.00 C ATOM 1035 C VAL A 75 -2.419 8.310 -10.454 1.00 0.00 C ATOM 1036 O VAL A 75 -2.472 8.334 -11.683 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.595 6.040 -9.303 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -1.897 4.687 -9.463 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.083 6.238 -7.866 1.00 0.00 C ATOM 0 H VAL A 75 -0.988 7.124 -7.753 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.959 6.761 -10.435 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.467 6.047 -9.957 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.572 3.890 -9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.621 4.541 -10.507 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.000 4.665 -8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.735 5.411 -7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.227 6.269 -7.192 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.635 7.175 -7.795 1.00 0.00 H new ATOM 1049 N SER A 76 -2.975 9.214 -9.661 1.00 0.00 N ATOM 1050 CA SER A 76 -3.713 10.339 -10.210 1.00 0.00 C ATOM 1051 C SER A 76 -2.831 11.115 -11.189 1.00 0.00 C ATOM 1052 O SER A 76 -3.106 11.148 -12.387 1.00 0.00 O ATOM 1053 CB SER A 76 -4.215 11.262 -9.099 1.00 0.00 C ATOM 1054 OG SER A 76 -4.639 12.526 -9.606 1.00 0.00 O ATOM 0 H SER A 76 -2.929 9.190 -8.642 1.00 0.00 H new ATOM 0 HA SER A 76 -4.582 9.952 -10.743 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.044 10.784 -8.577 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.422 11.413 -8.367 1.00 0.00 H new ATOM 0 HG SER A 76 -4.954 13.086 -8.866 1.00 0.00 H new ATOM 1059 N GLN A 77 -1.788 11.724 -10.642 1.00 0.00 N ATOM 1060 CA GLN A 77 -0.864 12.499 -11.452 1.00 0.00 C ATOM 1061 C GLN A 77 0.580 12.099 -11.139 1.00 0.00 C ATOM 1062 O GLN A 77 0.905 10.913 -11.106 1.00 0.00 O ATOM 1063 CB GLN A 77 -1.075 14.000 -11.240 1.00 0.00 C ATOM 1064 CG GLN A 77 -2.548 14.376 -11.415 1.00 0.00 C ATOM 1065 CD GLN A 77 -2.701 15.565 -12.365 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -2.914 16.696 -11.957 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -2.580 15.250 -13.651 1.00 0.00 N ATOM 0 H GLN A 77 -1.563 11.696 -9.648 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.062 12.282 -12.502 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.740 14.281 -10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.466 14.560 -11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.101 13.521 -11.804 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.982 14.622 -10.446 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.402 14.284 -13.925 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.665 15.975 -14.364 1.00 0.00 H new ATOM 1074 N THR A 78 1.406 13.112 -10.918 1.00 0.00 N ATOM 1075 CA THR A 78 2.806 12.880 -10.610 1.00 0.00 C ATOM 1076 C THR A 78 2.952 11.707 -9.639 1.00 0.00 C ATOM 1077 O THR A 78 2.005 11.356 -8.937 1.00 0.00 O ATOM 1078 CB THR A 78 3.395 14.188 -10.075 1.00 0.00 C ATOM 1079 OG1 THR A 78 2.532 14.542 -8.998 1.00 0.00 O ATOM 1080 CG2 THR A 78 3.249 15.343 -11.067 1.00 0.00 C ATOM 0 H THR A 78 1.132 14.094 -10.946 1.00 0.00 H new ATOM 0 HA THR A 78 3.365 12.595 -11.501 1.00 0.00 H new ATOM 0 HB THR A 78 4.449 14.043 -9.840 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.842 15.378 -8.592 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.682 16.247 -10.639 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.768 15.095 -11.993 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.193 15.511 -11.277 1.00 0.00 H new ATOM 1088 N GLY A 79 4.146 11.132 -9.631 1.00 0.00 N ATOM 1089 CA GLY A 79 4.428 10.005 -8.758 1.00 0.00 C ATOM 1090 C GLY A 79 4.315 8.682 -9.517 1.00 0.00 C ATOM 1091 O GLY A 79 3.240 8.329 -10.000 1.00 0.00 O ATOM 0 H GLY A 79 4.929 11.426 -10.215 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.430 10.105 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.732 10.007 -7.919 1.00 0.00 H new ATOM 1095 N PRO A 80 5.468 7.966 -9.600 1.00 0.00 N ATOM 1096 CA PRO A 80 5.508 6.689 -10.292 1.00 0.00 C ATOM 1097 C PRO A 80 4.848 5.592 -9.456 1.00 0.00 C ATOM 1098 O PRO A 80 4.865 5.646 -8.227 1.00 0.00 O ATOM 1099 CB PRO A 80 6.983 6.429 -10.553 1.00 0.00 C ATOM 1100 CG PRO A 80 7.742 7.334 -9.595 1.00 0.00 C ATOM 1101 CD PRO A 80 6.760 8.352 -9.039 1.00 0.00 C ATOM 0 HA PRO A 80 4.947 6.700 -11.227 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.231 5.382 -10.381 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.242 6.652 -11.588 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.184 6.750 -8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.561 7.836 -10.111 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.741 8.330 -7.949 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.032 9.366 -9.332 1.00 0.00 H new ATOM 1106 N ILE A 81 4.279 4.620 -10.156 1.00 0.00 N ATOM 1107 CA ILE A 81 3.613 3.511 -9.493 1.00 0.00 C ATOM 1108 C ILE A 81 4.656 2.476 -9.069 1.00 0.00 C ATOM 1109 O ILE A 81 5.654 2.275 -9.760 1.00 0.00 O ATOM 1110 CB ILE A 81 2.508 2.941 -10.384 1.00 0.00 C ATOM 1111 CG1 ILE A 81 1.159 3.588 -10.065 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.451 1.416 -10.279 1.00 0.00 C ATOM 1113 CD1 ILE A 81 0.089 3.147 -11.066 1.00 0.00 C ATOM 0 H ILE A 81 4.266 4.578 -11.175 1.00 0.00 H new ATOM 0 HA ILE A 81 3.115 3.852 -8.586 1.00 0.00 H new ATOM 0 HB ILE A 81 2.745 3.184 -11.420 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.851 3.317 -9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.258 4.673 -10.087 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.657 1.036 -10.922 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.406 0.994 -10.593 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.250 1.130 -9.247 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.860 3.621 -10.817 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.388 3.441 -12.072 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.024 2.064 -11.024 1.00 0.00 H new ATOM 1124 N SER A 82 4.391 1.846 -7.934 1.00 0.00 N ATOM 1125 CA SER A 82 5.295 0.836 -7.409 1.00 0.00 C ATOM 1126 C SER A 82 5.104 0.699 -5.898 1.00 0.00 C ATOM 1127 O SER A 82 6.073 0.746 -5.140 1.00 0.00 O ATOM 1128 CB SER A 82 6.750 1.178 -7.733 1.00 0.00 C ATOM 1129 OG SER A 82 7.222 0.476 -8.879 1.00 0.00 O ATOM 0 H SER A 82 3.563 2.015 -7.363 1.00 0.00 H new ATOM 0 HA SER A 82 5.060 -0.116 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.841 2.251 -7.903 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.378 0.936 -6.876 1.00 0.00 H new ATOM 0 HG SER A 82 6.812 0.853 -9.685 1.00 0.00 H new ATOM 1134 N LEU A 83 3.851 0.532 -5.503 1.00 0.00 N ATOM 1135 CA LEU A 83 3.522 0.388 -4.095 1.00 0.00 C ATOM 1136 C LEU A 83 4.616 -0.425 -3.402 1.00 0.00 C ATOM 1137 O LEU A 83 5.196 -1.331 -3.999 1.00 0.00 O ATOM 1138 CB LEU A 83 2.120 -0.203 -3.931 1.00 0.00 C ATOM 1139 CG LEU A 83 1.584 -1.001 -5.121 1.00 0.00 C ATOM 1140 CD1 LEU A 83 2.648 -1.957 -5.663 1.00 0.00 C ATOM 1141 CD2 LEU A 83 0.291 -1.732 -4.752 1.00 0.00 C ATOM 0 H LEU A 83 3.050 0.493 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 83 3.491 1.363 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.121 -0.852 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.426 0.612 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 83 1.342 -0.302 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.242 -2.512 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.518 -1.387 -5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.944 -2.654 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.069 -2.292 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.484 -2.419 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.464 -1.006 -4.449 1.00 0.00 H new ATOM 1152 N THR A 84 4.866 -0.073 -2.149 1.00 0.00 N ATOM 1153 CA THR A 84 5.881 -0.758 -1.367 1.00 0.00 C ATOM 1154 C THR A 84 5.466 -0.825 0.105 1.00 0.00 C ATOM 1155 O THR A 84 4.868 0.115 0.627 1.00 0.00 O ATOM 1156 CB THR A 84 7.214 -0.043 -1.590 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.413 -0.110 -2.999 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.399 -0.815 -1.009 1.00 0.00 C ATOM 0 H THR A 84 4.383 0.678 -1.656 1.00 0.00 H new ATOM 0 HA THR A 84 5.994 -1.794 -1.688 1.00 0.00 H new ATOM 0 HB THR A 84 7.172 0.949 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.940 0.631 -3.432 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.320 -0.262 -1.196 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.261 -0.939 0.065 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.462 -1.795 -1.482 1.00 0.00 H new ATOM 1166 N VAL A 85 5.799 -1.944 0.730 1.00 0.00 N ATOM 1167 CA VAL A 85 5.469 -2.144 2.131 1.00 0.00 C ATOM 1168 C VAL A 85 6.715 -2.620 2.882 1.00 0.00 C ATOM 1169 O VAL A 85 7.622 -3.196 2.284 1.00 0.00 O ATOM 1170 CB VAL A 85 4.291 -3.112 2.257 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.108 -2.650 1.402 1.00 0.00 C ATOM 1172 CG2 VAL A 85 4.708 -4.537 1.889 1.00 0.00 C ATOM 0 H VAL A 85 6.294 -2.721 0.293 1.00 0.00 H new ATOM 0 HA VAL A 85 5.153 -1.205 2.586 1.00 0.00 H new ATOM 0 HB VAL A 85 3.972 -3.115 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.284 -3.355 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.785 -1.662 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.411 -2.603 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.851 -5.204 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.067 -4.557 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.503 -4.867 2.557 1.00 0.00 H new ATOM 1182 N ALA A 86 6.719 -2.361 4.180 1.00 0.00 N ATOM 1183 CA ALA A 86 7.838 -2.755 5.019 1.00 0.00 C ATOM 1184 C ALA A 86 7.586 -4.159 5.573 1.00 0.00 C ATOM 1185 O ALA A 86 7.867 -4.430 6.739 1.00 0.00 O ATOM 1186 CB ALA A 86 8.036 -1.718 6.126 1.00 0.00 C ATOM 0 H ALA A 86 5.965 -1.883 4.672 1.00 0.00 H new ATOM 0 HA ALA A 86 8.759 -2.791 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 86 8.875 -2.013 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.242 -0.745 5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.132 -1.656 6.732 1.00 0.00 H new ATOM 1192 N LYS A 87 7.058 -5.015 4.709 1.00 0.00 N ATOM 1193 CA LYS A 87 6.764 -6.384 5.098 1.00 0.00 C ATOM 1194 C LYS A 87 5.905 -6.378 6.364 1.00 0.00 C ATOM 1195 O LYS A 87 5.668 -5.323 6.952 1.00 0.00 O ATOM 1196 CB LYS A 87 8.057 -7.191 5.236 1.00 0.00 C ATOM 1197 CG LYS A 87 7.899 -8.588 4.633 1.00 0.00 C ATOM 1198 CD LYS A 87 7.855 -8.524 3.105 1.00 0.00 C ATOM 1199 CE LYS A 87 6.412 -8.531 2.596 1.00 0.00 C ATOM 1200 NZ LYS A 87 6.210 -9.631 1.627 1.00 0.00 N ATOM 0 H LYS A 87 6.827 -4.787 3.742 1.00 0.00 H new ATOM 0 HA LYS A 87 6.184 -6.884 4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.872 -6.666 4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.327 -7.274 6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.728 -9.221 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.985 -9.048 5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.361 -7.622 2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.396 -9.373 2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.725 -8.646 3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.182 -7.576 2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.542 -9.327 0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.120 -9.879 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.826 -10.462 2.120 1.00 0.00 H new ATOM 1209 N ALA A 88 5.462 -7.566 6.746 1.00 0.00 N ATOM 1210 CA ALA A 88 4.635 -7.711 7.932 1.00 0.00 C ATOM 1211 C ALA A 88 4.195 -9.170 8.066 1.00 0.00 C ATOM 1212 O ALA A 88 3.006 -9.474 7.980 1.00 0.00 O ATOM 1213 CB ALA A 88 3.447 -6.750 7.846 1.00 0.00 C ATOM 0 H ALA A 88 5.660 -8.438 6.255 1.00 0.00 H new ATOM 0 HA ALA A 88 5.200 -7.453 8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.826 -6.858 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.812 -5.725 7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.855 -6.981 6.960 1.00 0.00 H new ATOM 1219 N TRP A 89 5.177 -10.034 8.275 1.00 0.00 N ATOM 1220 CA TRP A 89 4.906 -11.454 8.423 1.00 0.00 C ATOM 1221 C TRP A 89 4.852 -12.073 7.025 1.00 0.00 C ATOM 1222 O TRP A 89 5.720 -12.862 6.657 1.00 0.00 O ATOM 1223 CB TRP A 89 3.627 -11.687 9.230 1.00 0.00 C ATOM 1224 CG TRP A 89 3.742 -12.806 10.268 1.00 0.00 C ATOM 1225 CD1 TRP A 89 4.436 -12.801 11.413 1.00 0.00 C ATOM 1226 CD2 TRP A 89 3.110 -14.102 10.207 1.00 0.00 C ATOM 1227 NE1 TRP A 89 4.299 -13.994 12.092 1.00 0.00 N ATOM 1228 CE2 TRP A 89 3.467 -14.811 11.336 1.00 0.00 C ATOM 1229 CE3 TRP A 89 2.265 -14.658 9.230 1.00 0.00 C ATOM 1230 CZ2 TRP A 89 3.027 -16.114 11.595 1.00 0.00 C ATOM 1231 CZ3 TRP A 89 1.833 -15.962 9.504 1.00 0.00 C ATOM 1232 CH2 TRP A 89 2.184 -16.688 10.636 1.00 0.00 C ATOM 0 H TRP A 89 6.162 -9.778 8.345 1.00 0.00 H new ATOM 0 HA TRP A 89 5.700 -11.941 8.989 1.00 0.00 H new ATOM 0 HB2 TRP A 89 3.356 -10.761 9.737 1.00 0.00 H new ATOM 0 HB3 TRP A 89 2.814 -11.924 8.543 1.00 0.00 H new ATOM 0 HD1 TRP A 89 5.028 -11.968 11.761 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.730 -14.233 12.985 1.00 0.00 H new ATOM 0 HE3 TRP A 89 1.972 -14.122 8.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 3.322 -16.648 12.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 1.181 -16.437 8.785 1.00 0.00 H new ATOM 0 HH2 TRP A 89 1.808 -17.691 10.775 1.00 0.00 H new ATOM 1242 N ASP A 90 3.822 -11.691 6.283 1.00 0.00 N ATOM 1243 CA ASP A 90 3.642 -12.198 4.933 1.00 0.00 C ATOM 1244 C ASP A 90 4.974 -12.124 4.184 1.00 0.00 C ATOM 1245 O ASP A 90 5.581 -11.058 4.093 1.00 0.00 O ATOM 1246 CB ASP A 90 2.619 -11.362 4.162 1.00 0.00 C ATOM 1247 CG ASP A 90 3.088 -9.957 3.779 1.00 0.00 C ATOM 1248 OD1 ASP A 90 2.970 -9.539 2.618 1.00 0.00 O ATOM 1249 OD2 ASP A 90 3.600 -9.271 4.745 1.00 0.00 O ATOM 0 H ASP A 90 3.104 -11.036 6.592 1.00 0.00 H new ATOM 0 HA ASP A 90 3.287 -13.226 5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.346 -11.898 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.715 -11.275 4.765 1.00 0.00 H new ATOM 1254 N PRO A 91 5.401 -13.300 3.652 1.00 0.00 N ATOM 1255 CA PRO A 91 6.650 -13.378 2.913 1.00 0.00 C ATOM 1256 C PRO A 91 6.503 -12.762 1.520 1.00 0.00 C ATOM 1257 O PRO A 91 5.545 -12.037 1.257 1.00 0.00 O ATOM 1258 CB PRO A 91 6.993 -14.858 2.875 1.00 0.00 C ATOM 1259 CG PRO A 91 5.699 -15.594 3.184 1.00 0.00 C ATOM 1260 CD PRO A 91 4.709 -14.582 3.739 1.00 0.00 C ATOM 0 HA PRO A 91 7.452 -12.809 3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 91 7.381 -15.144 1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.764 -15.099 3.607 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.302 -16.063 2.284 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.876 -16.391 3.906 1.00 0.00 H new ATOM 0 HD2 PRO A 91 3.785 -14.573 3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.438 -14.817 4.768 1.00 0.00 H new ATOM 1265 N THR A 92 7.466 -13.073 0.666 1.00 0.00 N ATOM 1266 CA THR A 92 7.455 -12.559 -0.693 1.00 0.00 C ATOM 1267 C THR A 92 7.529 -13.709 -1.698 1.00 0.00 C ATOM 1268 O THR A 92 8.261 -14.676 -1.491 1.00 0.00 O ATOM 1269 CB THR A 92 8.606 -11.559 -0.829 1.00 0.00 C ATOM 1270 OG1 THR A 92 8.141 -10.400 -0.142 1.00 0.00 O ATOM 1271 CG2 THR A 92 8.802 -11.085 -2.270 1.00 0.00 C ATOM 0 H THR A 92 8.259 -13.674 0.888 1.00 0.00 H new ATOM 0 HA THR A 92 6.523 -12.037 -0.911 1.00 0.00 H new ATOM 0 HB THR A 92 9.528 -12.015 -0.469 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.827 -9.701 -0.179 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.630 -10.378 -2.311 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.024 -11.941 -2.908 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.892 -10.598 -2.620 1.00 0.00 H new ATOM 1279 N PRO A 93 6.739 -13.564 -2.796 1.00 0.00 N ATOM 1280 CA PRO A 93 6.707 -14.580 -3.836 1.00 0.00 C ATOM 1281 C PRO A 93 7.971 -14.525 -4.696 1.00 0.00 C ATOM 1282 O PRO A 93 8.668 -15.527 -4.847 1.00 0.00 O ATOM 1283 CB PRO A 93 5.439 -14.295 -4.624 1.00 0.00 C ATOM 1284 CG PRO A 93 5.054 -12.864 -4.292 1.00 0.00 C ATOM 1285 CD PRO A 93 5.859 -12.434 -3.076 1.00 0.00 C ATOM 0 HA PRO A 93 6.692 -15.593 -3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.609 -14.415 -5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 93 4.644 -14.987 -4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.260 -12.208 -5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 93 3.986 -12.794 -4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.430 -11.528 -3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 93 5.210 -12.218 -2.228 1.00 0.00 H new ATOM 1290 N ARG A 94 8.229 -13.342 -5.236 1.00 0.00 N ATOM 1291 CA ARG A 94 9.398 -13.142 -6.076 1.00 0.00 C ATOM 1292 C ARG A 94 9.632 -11.650 -6.313 1.00 0.00 C ATOM 1293 O ARG A 94 8.777 -10.825 -5.995 1.00 0.00 O ATOM 1294 CB ARG A 94 9.232 -13.846 -7.424 1.00 0.00 C ATOM 1295 CG ARG A 94 8.053 -13.264 -8.206 1.00 0.00 C ATOM 1296 CD ARG A 94 8.258 -13.428 -9.713 1.00 0.00 C ATOM 1297 NE ARG A 94 7.757 -12.232 -10.426 1.00 0.00 N ATOM 1298 CZ ARG A 94 6.456 -11.874 -10.483 1.00 0.00 C ATOM 1299 NH1 ARG A 94 5.513 -12.620 -9.869 1.00 0.00 N ATOM 1300 NH2 ARG A 94 6.120 -10.785 -11.148 1.00 0.00 N ATOM 0 H ARG A 94 7.649 -12.513 -5.108 1.00 0.00 H new ATOM 0 HA ARG A 94 10.257 -13.569 -5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.147 -13.742 -8.008 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.076 -14.913 -7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.131 -13.762 -7.905 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.938 -12.207 -7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.316 -13.574 -9.930 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.734 -14.317 -10.065 1.00 0.00 H new ATOM 0 HE ARG A 94 8.437 -11.641 -10.904 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.781 -13.461 -9.357 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.533 -12.343 -9.917 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.839 -10.227 -11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.142 -10.501 -11.201 1.00 0.00 H new ATOM 1310 N SER A 95 10.797 -11.347 -6.870 1.00 0.00 N ATOM 1311 CA SER A 95 11.155 -9.968 -7.152 1.00 0.00 C ATOM 1312 C SER A 95 12.141 -9.912 -8.321 1.00 0.00 C ATOM 1313 O SER A 95 11.814 -10.320 -9.434 1.00 0.00 O ATOM 1314 CB SER A 95 11.755 -9.290 -5.919 1.00 0.00 C ATOM 1315 OG SER A 95 11.623 -7.871 -5.972 1.00 0.00 O ATOM 0 H SER A 95 11.504 -12.034 -7.133 1.00 0.00 H new ATOM 0 HA SER A 95 10.248 -9.429 -7.423 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.262 -9.667 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.810 -9.553 -5.838 1.00 0.00 H new ATOM 0 HG SER A 95 12.017 -7.476 -5.166 1.00 0.00 H new TER 1320 SER A 95