USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 852 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 85 HIS : no HE2:sc= -1.01 K(o=-1,f=-2.8) USER MOD Set 1.2: A 86 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 79 ASN : amide:sc= -0.752 K(o=-1.3,f=-2.4!) USER MOD Set 2.2: A 93 CYS SG : rot 180:sc= -0.144 USER MOD Set 2.3: A 97 MET CE :methyl -126:sc=-0.00217 (180deg=-0.168) USER MOD Set 2.4: A 98 HIS : no HD1:sc= -0.395 K(o=-1.3,f=-2.4) USER MOD Set 3.1: A 66 HIS : no HD1:sc= -2.92 X(o=-3,f=-3.3) USER MOD Set 3.2: A 68 HIS : no HE2:sc= -0.104 K(o=-3,f=-4.5) USER MOD Set 4.1: A 23 ASN : amide:sc= 0.0168 K(o=0.03,f=-0.98) USER MOD Set 4.2: A 88 THR OG1 : rot 155:sc= 0.0128 USER MOD Set 5.1: A 19 GLN : amide:sc= -1.09 X(o=-1.2,f=-0.91) USER MOD Set 5.2: A 46 GLN : amide:sc= -0.127 X(o=-1.2,f=-0.91) USER MOD Set 6.1: A 10 GLN :FLIP amide:sc= 0.212 F(o=-1.9,f=-0.59) USER MOD Set 6.2: A 57 HIS :FLIP no HE2:sc= -0.8 F(o=-1.9,f=-0.59) USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0887) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0381 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.514 K(o=-0.51,f=-1.5) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-5.1!) USER MOD Single : A 18 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.496) USER MOD Single : A 20 GLN : amide:sc= -0.228 K(o=-0.23,f=-1) USER MOD Single : A 22 CYS SG : rot -173:sc= -0.849 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 31 ASN : amide:sc= -1.21 K(o=-1.2,f=-4!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 CYS SG : rot -1:sc= 0.211 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.033) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -150:sc= -0.0951 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.638 USER MOD Single : A 91 HIS : no HD1:sc= -0.0623 X(o=-0.062,f=-0.18) USER MOD Single : A 92 CYS SG : rot 26:sc= 0.244 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0.997 (180deg=0.997) USER MOD Single : A 100 HIS :FLIP no HD1:sc= -0.922 F(o=-1.5,f=-0.92) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 176:sc= -0.122 (180deg=-0.171) USER MOD Single : A 110 ASN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.019 -7.205 14.224 1.00 0.00 N ATOM 2 CA MET A 1 -13.344 -8.129 13.129 1.00 0.00 C ATOM 3 C MET A 1 -14.406 -7.480 12.260 1.00 0.00 C ATOM 4 O MET A 1 -15.353 -6.902 12.796 1.00 0.00 O ATOM 5 CB MET A 1 -13.781 -9.494 13.669 1.00 0.00 C ATOM 6 CG MET A 1 -13.855 -10.525 12.541 1.00 0.00 C ATOM 7 SD MET A 1 -12.340 -10.652 11.558 1.00 0.00 S ATOM 8 CE MET A 1 -11.145 -11.185 12.811 1.00 0.00 C ATOM 0 H1 MET A 1 -12.844 -7.746 15.095 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.168 -6.661 13.978 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.815 -6.553 14.376 1.00 0.00 H new ATOM 0 HA MET A 1 -12.460 -8.320 12.521 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.078 -9.831 14.431 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.755 -9.405 14.151 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.081 -11.501 12.970 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.683 -10.267 11.881 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.196 -11.424 12.331 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.994 -10.383 13.534 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.525 -12.069 13.324 1.00 0.00 H new ATOM 18 N GLY A 2 -14.190 -7.454 10.946 1.00 0.00 N ATOM 19 CA GLY A 2 -14.781 -6.466 10.058 1.00 0.00 C ATOM 20 C GLY A 2 -15.623 -7.082 8.949 1.00 0.00 C ATOM 21 O GLY A 2 -15.991 -8.260 8.997 1.00 0.00 O ATOM 0 H GLY A 2 -13.592 -8.128 10.467 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -15.402 -5.787 10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.987 -5.867 9.612 1.00 0.00 H new ATOM 25 N ALA A 3 -16.004 -6.240 7.990 1.00 0.00 N ATOM 26 CA ALA A 3 -16.741 -6.602 6.789 1.00 0.00 C ATOM 27 C ALA A 3 -15.817 -7.265 5.767 1.00 0.00 C ATOM 28 O ALA A 3 -14.596 -7.154 5.860 1.00 0.00 O ATOM 29 CB ALA A 3 -17.370 -5.344 6.194 1.00 0.00 C ATOM 0 H ALA A 3 -15.796 -5.242 8.035 1.00 0.00 H new ATOM 0 HA ALA A 3 -17.522 -7.316 7.049 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -17.925 -5.606 5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -18.049 -4.898 6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -16.586 -4.629 5.943 1.00 0.00 H new ATOM 35 N GLY A 4 -16.390 -7.890 4.737 1.00 0.00 N ATOM 36 CA GLY A 4 -15.609 -8.591 3.718 1.00 0.00 C ATOM 37 C GLY A 4 -14.958 -7.658 2.694 1.00 0.00 C ATOM 38 O GLY A 4 -14.154 -8.107 1.878 1.00 0.00 O ATOM 0 H GLY A 4 -17.398 -7.924 4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.832 -9.178 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.257 -9.294 3.195 1.00 0.00 H new ATOM 42 N GLN A 5 -15.295 -6.366 2.711 1.00 0.00 N ATOM 43 CA GLN A 5 -14.895 -5.418 1.675 1.00 0.00 C ATOM 44 C GLN A 5 -13.571 -4.725 1.980 1.00 0.00 C ATOM 45 O GLN A 5 -13.204 -3.777 1.285 1.00 0.00 O ATOM 46 CB GLN A 5 -15.999 -4.373 1.429 1.00 0.00 C ATOM 47 CG GLN A 5 -17.349 -4.979 1.033 1.00 0.00 C ATOM 48 CD GLN A 5 -18.171 -5.423 2.234 1.00 0.00 C ATOM 49 OE1 GLN A 5 -18.473 -4.640 3.130 1.00 0.00 O ATOM 50 NE2 GLN A 5 -18.560 -6.689 2.304 1.00 0.00 N ATOM 0 H GLN A 5 -15.858 -5.948 3.452 1.00 0.00 H new ATOM 0 HA GLN A 5 -14.746 -6.003 0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.130 -3.777 2.332 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -15.673 -3.692 0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -17.917 -4.246 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.180 -5.834 0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.310 -7.341 1.561 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.109 -7.010 3.101 1.00 0.00 H new ATOM 59 N THR A 6 -12.840 -5.176 2.988 1.00 0.00 N ATOM 60 CA THR A 6 -11.591 -4.542 3.401 1.00 0.00 C ATOM 61 C THR A 6 -10.471 -5.594 3.443 1.00 0.00 C ATOM 62 O THR A 6 -10.762 -6.798 3.465 1.00 0.00 O ATOM 63 CB THR A 6 -11.786 -3.755 4.713 1.00 0.00 C ATOM 64 OG1 THR A 6 -11.858 -4.575 5.855 1.00 0.00 O ATOM 65 CG2 THR A 6 -13.077 -2.927 4.720 1.00 0.00 C ATOM 0 H THR A 6 -13.094 -5.992 3.545 1.00 0.00 H new ATOM 0 HA THR A 6 -11.280 -3.795 2.670 1.00 0.00 H new ATOM 0 HB THR A 6 -10.903 -3.118 4.753 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.980 -4.017 6.651 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.162 -2.394 5.667 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.053 -2.209 3.900 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.934 -3.589 4.597 1.00 0.00 H new ATOM 73 N PRO A 7 -9.193 -5.180 3.394 1.00 0.00 N ATOM 74 CA PRO A 7 -8.075 -6.100 3.371 1.00 0.00 C ATOM 75 C PRO A 7 -7.491 -6.277 4.783 1.00 0.00 C ATOM 76 O PRO A 7 -6.495 -5.637 5.122 1.00 0.00 O ATOM 77 CB PRO A 7 -7.106 -5.455 2.383 1.00 0.00 C ATOM 78 CG PRO A 7 -7.261 -3.959 2.665 1.00 0.00 C ATOM 79 CD PRO A 7 -8.706 -3.826 3.143 1.00 0.00 C ATOM 0 HA PRO A 7 -8.335 -7.113 3.063 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.082 -5.791 2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.361 -5.699 1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.556 -3.620 3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.079 -3.362 1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.760 -3.222 4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.318 -3.328 2.391 1.00 0.00 H new ATOM 87 N HIS A 8 -8.083 -7.173 5.581 1.00 0.00 N ATOM 88 CA HIS A 8 -7.749 -7.540 6.966 1.00 0.00 C ATOM 89 C HIS A 8 -8.218 -6.443 7.942 1.00 0.00 C ATOM 90 O HIS A 8 -8.061 -5.255 7.653 1.00 0.00 O ATOM 91 CB HIS A 8 -6.229 -7.786 7.096 1.00 0.00 C ATOM 92 CG HIS A 8 -5.773 -8.707 8.193 1.00 0.00 C ATOM 93 ND1 HIS A 8 -4.646 -8.512 8.953 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.274 -9.942 8.507 1.00 0.00 C ATOM 95 CE1 HIS A 8 -4.489 -9.586 9.745 1.00 0.00 C ATOM 96 NE2 HIS A 8 -5.468 -10.470 9.523 1.00 0.00 N ATOM 0 H HIS A 8 -8.882 -7.710 5.244 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.269 -8.462 7.224 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.869 -8.186 6.148 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.742 -6.822 7.240 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -4.035 -7.695 8.922 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.131 -10.420 8.055 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.688 -9.717 10.458 1.00 0.00 H new ATOM 104 N PRO A 9 -8.701 -6.768 9.156 1.00 0.00 N ATOM 105 CA PRO A 9 -9.070 -5.769 10.158 1.00 0.00 C ATOM 106 C PRO A 9 -7.862 -5.297 10.979 1.00 0.00 C ATOM 107 O PRO A 9 -7.953 -4.284 11.672 1.00 0.00 O ATOM 108 CB PRO A 9 -10.093 -6.472 11.051 1.00 0.00 C ATOM 109 CG PRO A 9 -9.595 -7.915 11.044 1.00 0.00 C ATOM 110 CD PRO A 9 -9.064 -8.094 9.623 1.00 0.00 C ATOM 0 HA PRO A 9 -9.469 -4.869 9.691 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.110 -6.053 12.057 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.105 -6.389 10.654 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.815 -8.075 11.788 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.397 -8.619 11.266 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.202 -8.761 9.611 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.821 -8.540 8.978 1.00 0.00 H new ATOM 118 N GLN A 10 -6.745 -6.032 10.940 1.00 0.00 N ATOM 119 CA GLN A 10 -5.499 -5.650 11.600 1.00 0.00 C ATOM 120 C GLN A 10 -4.775 -4.559 10.796 1.00 0.00 C ATOM 121 O GLN A 10 -3.858 -3.934 11.315 1.00 0.00 O ATOM 122 CB GLN A 10 -4.639 -6.914 11.813 1.00 0.00 C ATOM 123 CG GLN A 10 -3.950 -7.007 13.180 1.00 0.00 C ATOM 124 CD GLN A 10 -2.804 -6.018 13.365 1.00 0.00 C ATOM 125 OE1 GLN A 10 -1.611 -6.331 12.884 1.00 0.00 O flip ATOM 126 NE2 GLN A 10 -2.980 -4.973 13.981 1.00 0.00 N flip ATOM 0 H GLN A 10 -6.684 -6.920 10.442 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.704 -5.217 12.579 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.272 -7.792 11.681 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.876 -6.951 11.035 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.691 -6.839 13.961 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.568 -8.019 13.315 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.905 -4.746 14.346 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.201 -4.331 14.129 1.00 0.00 H new ATOM 135 N LEU A 11 -5.181 -4.316 9.545 1.00 0.00 N ATOM 136 CA LEU A 11 -4.725 -3.168 8.775 1.00 0.00 C ATOM 137 C LEU A 11 -5.280 -1.865 9.370 1.00 0.00 C ATOM 138 O LEU A 11 -6.488 -1.752 9.630 1.00 0.00 O ATOM 139 CB LEU A 11 -5.130 -3.386 7.312 1.00 0.00 C ATOM 140 CG LEU A 11 -4.675 -2.244 6.388 1.00 0.00 C ATOM 141 CD1 LEU A 11 -4.027 -2.806 5.121 1.00 0.00 C ATOM 142 CD2 LEU A 11 -5.850 -1.348 6.012 1.00 0.00 C ATOM 0 H LEU A 11 -5.836 -4.915 9.043 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.640 -3.072 8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.703 -4.325 6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.214 -3.486 7.251 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.941 -1.647 6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.711 -1.984 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.160 -3.408 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.748 -3.426 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.503 -0.548 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.606 -1.938 5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.282 -0.917 6.915 1.00 0.00 H new ATOM 154 N ILE A 12 -4.395 -0.884 9.573 1.00 0.00 N ATOM 155 CA ILE A 12 -4.670 0.432 10.138 1.00 0.00 C ATOM 156 C ILE A 12 -4.312 1.488 9.090 1.00 0.00 C ATOM 157 O ILE A 12 -3.140 1.799 8.883 1.00 0.00 O ATOM 158 CB ILE A 12 -3.883 0.661 11.455 1.00 0.00 C ATOM 159 CG1 ILE A 12 -3.761 -0.544 12.409 1.00 0.00 C ATOM 160 CG2 ILE A 12 -4.486 1.869 12.189 1.00 0.00 C ATOM 161 CD1 ILE A 12 -5.080 -1.131 12.925 1.00 0.00 C ATOM 0 H ILE A 12 -3.411 -0.999 9.332 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.727 0.506 10.392 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.854 0.841 11.145 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.211 -1.333 11.896 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.160 -0.243 13.267 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.941 2.040 13.117 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.412 2.753 11.556 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.534 1.672 12.415 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.870 -1.972 13.586 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.629 -0.366 13.474 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.680 -1.473 12.082 1.00 0.00 H new ATOM 173 N TRP A 13 -5.331 2.040 8.427 1.00 0.00 N ATOM 174 CA TRP A 13 -5.143 2.987 7.331 1.00 0.00 C ATOM 175 C TRP A 13 -4.355 4.241 7.752 1.00 0.00 C ATOM 176 O TRP A 13 -4.556 4.736 8.869 1.00 0.00 O ATOM 177 CB TRP A 13 -6.497 3.407 6.766 1.00 0.00 C ATOM 178 CG TRP A 13 -7.385 2.311 6.263 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.446 1.781 6.915 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.276 1.568 5.011 1.00 0.00 C ATOM 181 NE1 TRP A 13 -9.006 0.779 6.148 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.295 0.572 4.989 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.404 1.615 3.901 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.426 -0.349 3.942 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.510 0.669 2.862 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.507 -0.318 2.887 1.00 0.00 C ATOM 0 H TRP A 13 -6.309 1.841 8.637 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.556 2.473 6.570 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.035 3.952 7.542 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.322 4.106 5.948 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.800 2.094 7.886 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.843 0.257 6.408 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.648 2.384 3.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.226 -1.074 3.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -5.815 0.704 2.036 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.565 -1.051 2.096 1.00 0.00 H new ATOM 197 N PRO A 14 -3.578 4.857 6.846 1.00 0.00 N ATOM 198 CA PRO A 14 -3.485 4.511 5.436 1.00 0.00 C ATOM 199 C PRO A 14 -2.747 3.204 5.158 1.00 0.00 C ATOM 200 O PRO A 14 -2.165 2.594 6.053 1.00 0.00 O ATOM 201 CB PRO A 14 -2.715 5.647 4.787 1.00 0.00 C ATOM 202 CG PRO A 14 -1.875 6.232 5.907 1.00 0.00 C ATOM 203 CD PRO A 14 -2.832 6.080 7.089 1.00 0.00 C ATOM 0 HA PRO A 14 -4.493 4.370 5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.090 5.286 3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.389 6.393 4.367 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.944 5.684 6.055 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.607 7.272 5.723 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.284 6.022 8.030 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.501 6.937 7.162 1.00 0.00 H new ATOM 211 N ALA A 15 -2.782 2.783 3.896 1.00 0.00 N ATOM 212 CA ALA A 15 -2.023 1.653 3.412 1.00 0.00 C ATOM 213 C ALA A 15 -1.547 1.907 1.989 1.00 0.00 C ATOM 214 O ALA A 15 -2.027 2.809 1.305 1.00 0.00 O ATOM 215 CB ALA A 15 -2.894 0.401 3.481 1.00 0.00 C ATOM 0 H ALA A 15 -3.350 3.230 3.177 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.142 1.508 4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.328 -0.457 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.197 0.225 4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.780 0.540 2.862 1.00 0.00 H new ATOM 221 N LEU A 16 -0.609 1.083 1.535 1.00 0.00 N ATOM 222 CA LEU A 16 0.007 1.154 0.218 1.00 0.00 C ATOM 223 C LEU A 16 0.005 -0.249 -0.358 1.00 0.00 C ATOM 224 O LEU A 16 0.741 -1.121 0.116 1.00 0.00 O ATOM 225 CB LEU A 16 1.421 1.758 0.323 1.00 0.00 C ATOM 226 CG LEU A 16 1.360 3.289 0.182 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.538 4.006 0.843 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.326 3.683 -1.290 1.00 0.00 C ATOM 0 H LEU A 16 -0.243 0.316 2.099 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.549 1.811 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.867 1.492 1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.061 1.340 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 16 0.449 3.599 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.432 5.082 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.553 3.776 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.470 3.672 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.283 4.769 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.224 3.316 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.446 3.247 -1.763 1.00 0.00 H new ATOM 240 N LEU A 17 -0.878 -0.492 -1.326 1.00 0.00 N ATOM 241 CA LEU A 17 -0.885 -1.725 -2.107 1.00 0.00 C ATOM 242 C LEU A 17 0.390 -1.730 -2.944 1.00 0.00 C ATOM 243 O LEU A 17 0.766 -0.673 -3.458 1.00 0.00 O ATOM 244 CB LEU A 17 -2.118 -1.717 -3.024 1.00 0.00 C ATOM 245 CG LEU A 17 -2.326 -2.983 -3.878 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.780 -4.162 -3.017 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.397 -2.709 -4.941 1.00 0.00 C ATOM 0 H LEU A 17 -1.612 0.165 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.925 -2.609 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.005 -1.567 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.045 -0.859 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.375 -3.236 -4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.919 -5.041 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.024 -4.373 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.722 -3.914 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.546 -3.603 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.334 -2.441 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.073 -1.888 -5.580 1.00 0.00 H new ATOM 259 N LYS A 18 1.035 -2.884 -3.127 1.00 0.00 N ATOM 260 CA LYS A 18 2.060 -3.028 -4.152 1.00 0.00 C ATOM 261 C LYS A 18 1.965 -4.442 -4.696 1.00 0.00 C ATOM 262 O LYS A 18 2.529 -5.379 -4.126 1.00 0.00 O ATOM 263 CB LYS A 18 3.456 -2.638 -3.638 1.00 0.00 C ATOM 264 CG LYS A 18 4.235 -1.849 -4.693 1.00 0.00 C ATOM 265 CD LYS A 18 4.638 -2.660 -5.923 1.00 0.00 C ATOM 266 CE LYS A 18 5.437 -3.916 -5.566 1.00 0.00 C ATOM 267 NZ LYS A 18 6.674 -3.647 -4.800 1.00 0.00 N ATOM 0 H LYS A 18 0.864 -3.727 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 18 1.889 -2.330 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.359 -2.040 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.011 -3.537 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.629 -1.002 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.135 -1.441 -4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.742 -2.948 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.232 -2.033 -6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.802 -4.585 -4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.698 -4.441 -6.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.444 -4.244 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.934 -2.645 -4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.514 -3.863 -3.795 1.00 0.00 H new ATOM 281 N GLN A 19 1.224 -4.574 -5.786 1.00 0.00 N ATOM 282 CA GLN A 19 0.859 -5.824 -6.422 1.00 0.00 C ATOM 283 C GLN A 19 2.119 -6.591 -6.841 1.00 0.00 C ATOM 284 O GLN A 19 3.207 -6.029 -7.029 1.00 0.00 O ATOM 285 CB GLN A 19 -0.072 -5.494 -7.596 1.00 0.00 C ATOM 286 CG GLN A 19 -1.367 -4.842 -7.092 1.00 0.00 C ATOM 287 CD GLN A 19 -2.447 -4.839 -8.159 1.00 0.00 C ATOM 288 OE1 GLN A 19 -2.599 -3.888 -8.919 1.00 0.00 O ATOM 289 NE2 GLN A 19 -3.222 -5.901 -8.241 1.00 0.00 N ATOM 0 H GLN A 19 0.842 -3.765 -6.275 1.00 0.00 H new ATOM 0 HA GLN A 19 0.326 -6.484 -5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.433 -4.823 -8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.307 -6.404 -8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.726 -5.377 -6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.161 -3.818 -6.780 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.083 -6.684 -7.602 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.961 -5.940 -8.943 1.00 0.00 H new ATOM 298 N GLN A 20 1.964 -7.903 -6.961 1.00 0.00 N ATOM 299 CA GLN A 20 2.991 -8.891 -7.206 1.00 0.00 C ATOM 300 C GLN A 20 3.624 -8.648 -8.574 1.00 0.00 C ATOM 301 O GLN A 20 2.959 -8.733 -9.606 1.00 0.00 O ATOM 302 CB GLN A 20 2.375 -10.302 -7.099 1.00 0.00 C ATOM 303 CG GLN A 20 3.276 -11.199 -6.246 1.00 0.00 C ATOM 304 CD GLN A 20 2.857 -12.665 -6.251 1.00 0.00 C ATOM 305 OE1 GLN A 20 2.225 -13.151 -7.182 1.00 0.00 O ATOM 306 NE2 GLN A 20 3.269 -13.418 -5.242 1.00 0.00 N ATOM 0 H GLN A 20 1.042 -8.331 -6.882 1.00 0.00 H new ATOM 0 HA GLN A 20 3.781 -8.809 -6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.381 -10.242 -6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.255 -10.732 -8.093 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.301 -11.121 -6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.273 -10.832 -5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.794 -12.999 -4.474 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.061 -14.417 -5.233 1.00 0.00 H new ATOM 315 N GLY A 21 4.916 -8.327 -8.595 1.00 0.00 N ATOM 316 CA GLY A 21 5.677 -8.094 -9.814 1.00 0.00 C ATOM 317 C GLY A 21 5.463 -6.703 -10.410 1.00 0.00 C ATOM 318 O GLY A 21 6.241 -6.310 -11.281 1.00 0.00 O ATOM 0 H GLY A 21 5.472 -8.220 -7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.738 -8.231 -9.602 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.400 -8.844 -10.555 1.00 0.00 H new ATOM 322 N CYS A 22 4.480 -5.929 -9.944 1.00 0.00 N ATOM 323 CA CYS A 22 4.344 -4.510 -10.241 1.00 0.00 C ATOM 324 C CYS A 22 5.425 -3.720 -9.494 1.00 0.00 C ATOM 325 O CYS A 22 6.233 -4.279 -8.747 1.00 0.00 O ATOM 326 CB CYS A 22 2.933 -4.050 -9.845 1.00 0.00 C ATOM 327 SG CYS A 22 1.688 -5.121 -10.629 1.00 0.00 S ATOM 0 H CYS A 22 3.742 -6.284 -9.336 1.00 0.00 H new ATOM 0 HA CYS A 22 4.479 -4.330 -11.308 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.822 -4.082 -8.761 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.779 -3.015 -10.151 1.00 0.00 H new ATOM 0 HG CYS A 22 0.501 -4.639 -10.409 1.00 0.00 H new ATOM 333 N ASN A 23 5.466 -2.408 -9.686 1.00 0.00 N ATOM 334 CA ASN A 23 6.438 -1.497 -9.079 1.00 0.00 C ATOM 335 C ASN A 23 5.804 -0.170 -8.701 1.00 0.00 C ATOM 336 O ASN A 23 6.318 0.505 -7.811 1.00 0.00 O ATOM 337 CB ASN A 23 7.638 -1.228 -10.007 1.00 0.00 C ATOM 338 CG ASN A 23 7.313 -1.347 -11.483 1.00 0.00 C ATOM 339 OD1 ASN A 23 6.699 -0.477 -12.091 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.696 -2.471 -12.058 1.00 0.00 N ATOM 0 H ASN A 23 4.800 -1.927 -10.291 1.00 0.00 H new ATOM 0 HA ASN A 23 6.793 -1.997 -8.178 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.020 -0.227 -9.809 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.437 -1.928 -9.763 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.483 -2.639 -13.041 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.205 -3.172 -11.519 1.00 0.00 H new ATOM 347 N GLU A 24 4.685 0.195 -9.317 1.00 0.00 N ATOM 348 CA GLU A 24 3.872 1.289 -8.830 1.00 0.00 C ATOM 349 C GLU A 24 3.230 0.832 -7.511 1.00 0.00 C ATOM 350 O GLU A 24 3.003 -0.367 -7.314 1.00 0.00 O ATOM 351 CB GLU A 24 2.884 1.666 -9.941 1.00 0.00 C ATOM 352 CG GLU A 24 1.954 2.827 -9.573 1.00 0.00 C ATOM 353 CD GLU A 24 0.538 2.345 -9.197 1.00 0.00 C ATOM 354 OE1 GLU A 24 0.402 1.264 -8.579 1.00 0.00 O ATOM 355 OE2 GLU A 24 -0.437 3.017 -9.608 1.00 0.00 O ATOM 0 H GLU A 24 4.324 -0.257 -10.157 1.00 0.00 H new ATOM 0 HA GLU A 24 4.433 2.195 -8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.444 1.931 -10.838 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.280 0.793 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.381 3.381 -8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.889 3.518 -10.413 1.00 0.00 H new ATOM 362 N LEU A 25 3.006 1.770 -6.586 1.00 0.00 N ATOM 363 CA LEU A 25 2.244 1.581 -5.361 1.00 0.00 C ATOM 364 C LEU A 25 0.897 2.267 -5.570 1.00 0.00 C ATOM 365 O LEU A 25 0.848 3.312 -6.215 1.00 0.00 O ATOM 366 CB LEU A 25 2.901 2.214 -4.108 1.00 0.00 C ATOM 367 CG LEU A 25 4.420 2.461 -4.040 1.00 0.00 C ATOM 368 CD1 LEU A 25 4.828 2.954 -2.644 1.00 0.00 C ATOM 369 CD2 LEU A 25 5.297 1.247 -4.317 1.00 0.00 C ATOM 0 H LEU A 25 3.368 2.719 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 25 2.174 0.509 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.415 3.176 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.644 1.580 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 25 4.587 3.195 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.905 3.122 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.309 3.887 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.560 2.204 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.347 1.532 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.081 0.467 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.092 0.872 -5.320 1.00 0.00 H new ATOM 381 N LEU A 26 -0.138 1.745 -4.916 1.00 0.00 N ATOM 382 CA LEU A 26 -1.500 2.266 -4.872 1.00 0.00 C ATOM 383 C LEU A 26 -1.800 2.893 -3.510 1.00 0.00 C ATOM 384 O LEU A 26 -2.089 2.133 -2.582 1.00 0.00 O ATOM 385 CB LEU A 26 -2.557 1.252 -5.362 1.00 0.00 C ATOM 386 CG LEU A 26 -3.654 1.809 -6.294 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.747 2.513 -5.490 1.00 0.00 C ATOM 388 CD2 LEU A 26 -3.170 2.748 -7.399 1.00 0.00 C ATOM 0 H LEU A 26 -0.040 0.891 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.571 3.074 -5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.042 0.445 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.040 0.811 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.041 0.924 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.508 2.897 -6.169 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.202 1.805 -4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.311 3.340 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.021 3.080 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.680 3.613 -6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.463 2.222 -8.040 1.00 0.00 H new ATOM 400 N PRO A 27 -1.525 4.193 -3.286 1.00 0.00 N ATOM 401 CA PRO A 27 -1.835 4.856 -2.022 1.00 0.00 C ATOM 402 C PRO A 27 -3.328 4.728 -1.706 1.00 0.00 C ATOM 403 O PRO A 27 -4.177 5.035 -2.549 1.00 0.00 O ATOM 404 CB PRO A 27 -1.396 6.317 -2.202 1.00 0.00 C ATOM 405 CG PRO A 27 -1.529 6.551 -3.703 1.00 0.00 C ATOM 406 CD PRO A 27 -1.169 5.189 -4.294 1.00 0.00 C ATOM 0 HA PRO A 27 -1.315 4.405 -1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.028 6.998 -1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.372 6.473 -1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.539 6.856 -3.976 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.855 7.333 -4.051 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.712 5.013 -5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.107 5.138 -4.532 1.00 0.00 H new ATOM 414 N LEU A 28 -3.653 4.320 -0.478 1.00 0.00 N ATOM 415 CA LEU A 28 -4.997 4.285 0.083 1.00 0.00 C ATOM 416 C LEU A 28 -4.981 5.118 1.367 1.00 0.00 C ATOM 417 O LEU A 28 -4.560 4.612 2.411 1.00 0.00 O ATOM 418 CB LEU A 28 -5.435 2.838 0.407 1.00 0.00 C ATOM 419 CG LEU A 28 -5.716 1.834 -0.734 1.00 0.00 C ATOM 420 CD1 LEU A 28 -5.998 2.442 -2.105 1.00 0.00 C ATOM 421 CD2 LEU A 28 -4.617 0.774 -0.850 1.00 0.00 C ATOM 0 H LEU A 28 -2.949 3.990 0.181 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.706 4.686 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.662 2.401 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.340 2.902 1.010 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.652 1.368 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.180 1.645 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.876 3.085 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.139 3.031 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.856 0.090 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.663 1.260 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.549 0.216 0.084 1.00 0.00 H new ATOM 433 N ARG A 29 -5.407 6.388 1.313 1.00 0.00 N ATOM 434 CA ARG A 29 -5.484 7.249 2.503 1.00 0.00 C ATOM 435 C ARG A 29 -6.350 6.609 3.584 1.00 0.00 C ATOM 436 O ARG A 29 -5.984 6.592 4.760 1.00 0.00 O ATOM 437 CB ARG A 29 -6.028 8.660 2.221 1.00 0.00 C ATOM 438 CG ARG A 29 -5.657 9.291 0.878 1.00 0.00 C ATOM 439 CD ARG A 29 -6.020 10.773 0.899 1.00 0.00 C ATOM 440 NE ARG A 29 -5.803 11.423 -0.396 1.00 0.00 N ATOM 441 CZ ARG A 29 -6.718 11.600 -1.357 1.00 0.00 C ATOM 442 NH1 ARG A 29 -7.876 10.932 -1.378 1.00 0.00 N ATOM 443 NH2 ARG A 29 -6.458 12.489 -2.304 1.00 0.00 N ATOM 0 H ARG A 29 -5.706 6.845 0.451 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.453 7.353 2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.115 8.624 2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.680 9.322 3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.591 9.169 0.688 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.185 8.787 0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.066 10.883 1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.425 11.279 1.660 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.864 11.775 -0.583 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.089 10.258 -0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.546 11.097 -2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.583 13.013 -2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.133 12.650 -3.052 1.00 0.00 H new ATOM 457 N THR A 30 -7.509 6.085 3.196 1.00 0.00 N ATOM 458 CA THR A 30 -8.355 5.324 4.089 1.00 0.00 C ATOM 459 C THR A 30 -9.119 4.268 3.309 1.00 0.00 C ATOM 460 O THR A 30 -8.920 4.079 2.107 1.00 0.00 O ATOM 461 CB THR A 30 -9.208 6.277 4.950 1.00 0.00 C ATOM 462 OG1 THR A 30 -9.865 5.615 6.013 1.00 0.00 O ATOM 463 CG2 THR A 30 -10.178 7.149 4.168 1.00 0.00 C ATOM 0 H THR A 30 -7.882 6.180 2.251 1.00 0.00 H new ATOM 0 HA THR A 30 -7.762 4.759 4.809 1.00 0.00 H new ATOM 0 HB THR A 30 -8.475 6.961 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.390 6.263 6.528 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.733 7.785 4.858 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.623 7.772 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.874 6.516 3.618 1.00 0.00 H new ATOM 471 N ASN A 31 -9.995 3.573 4.023 1.00 0.00 N ATOM 472 CA ASN A 31 -10.836 2.514 3.509 1.00 0.00 C ATOM 473 C ASN A 31 -11.645 2.975 2.306 1.00 0.00 C ATOM 474 O ASN A 31 -11.843 2.201 1.379 1.00 0.00 O ATOM 475 CB ASN A 31 -11.779 2.042 4.614 1.00 0.00 C ATOM 476 CG ASN A 31 -12.197 0.609 4.345 1.00 0.00 C ATOM 477 OD1 ASN A 31 -11.460 -0.316 4.648 1.00 0.00 O ATOM 478 ND2 ASN A 31 -13.364 0.383 3.774 1.00 0.00 N ATOM 0 H ASN A 31 -10.141 3.744 5.018 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.195 1.694 3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.285 2.112 5.583 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.657 2.686 4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.660 -0.574 3.581 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -13.970 1.165 3.526 1.00 0.00 H new ATOM 485 N ASP A 32 -12.074 4.241 2.277 1.00 0.00 N ATOM 486 CA ASP A 32 -12.827 4.783 1.144 1.00 0.00 C ATOM 487 C ASP A 32 -11.976 4.715 -0.127 1.00 0.00 C ATOM 488 O ASP A 32 -12.463 4.376 -1.201 1.00 0.00 O ATOM 489 CB ASP A 32 -13.210 6.256 1.373 1.00 0.00 C ATOM 490 CG ASP A 32 -14.036 6.533 2.630 1.00 0.00 C ATOM 491 OD1 ASP A 32 -13.428 6.769 3.702 1.00 0.00 O ATOM 492 OD2 ASP A 32 -15.277 6.653 2.526 1.00 0.00 O ATOM 0 H ASP A 32 -11.911 4.911 3.029 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.732 4.185 1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.296 6.848 1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.770 6.607 0.506 1.00 0.00 H new ATOM 497 N ASP A 33 -10.686 5.036 -0.009 1.00 0.00 N ATOM 498 CA ASP A 33 -9.719 5.076 -1.103 1.00 0.00 C ATOM 499 C ASP A 33 -9.402 3.665 -1.593 1.00 0.00 C ATOM 500 O ASP A 33 -9.095 3.484 -2.772 1.00 0.00 O ATOM 501 CB ASP A 33 -8.455 5.838 -0.673 1.00 0.00 C ATOM 502 CG ASP A 33 -8.783 7.254 -0.190 1.00 0.00 C ATOM 503 OD1 ASP A 33 -8.962 8.183 -1.009 1.00 0.00 O ATOM 504 OD2 ASP A 33 -8.924 7.419 1.040 1.00 0.00 O ATOM 0 H ASP A 33 -10.272 5.285 0.889 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.155 5.617 -1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.953 5.289 0.124 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.760 5.891 -1.511 1.00 0.00 H new ATOM 509 N TRP A 34 -9.516 2.660 -0.719 1.00 0.00 N ATOM 510 CA TRP A 34 -9.525 1.250 -1.094 1.00 0.00 C ATOM 511 C TRP A 34 -10.800 0.917 -1.870 1.00 0.00 C ATOM 512 O TRP A 34 -10.707 0.338 -2.955 1.00 0.00 O ATOM 513 CB TRP A 34 -9.360 0.376 0.159 1.00 0.00 C ATOM 514 CG TRP A 34 -9.646 -1.082 0.006 1.00 0.00 C ATOM 515 CD1 TRP A 34 -10.793 -1.703 0.357 1.00 0.00 C ATOM 516 CD2 TRP A 34 -8.768 -2.122 -0.502 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.686 -3.053 0.088 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.447 -3.372 -0.425 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.451 -2.131 -1.000 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -8.844 -4.574 -0.823 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -6.848 -3.324 -1.433 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.541 -4.545 -1.348 1.00 0.00 C ATOM 0 H TRP A 34 -9.606 2.811 0.286 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.684 1.040 -1.754 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.336 0.486 0.517 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.014 0.771 0.937 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.660 -1.219 0.782 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.431 -3.730 0.249 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.895 -1.206 -1.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.374 -5.510 -0.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -5.845 -3.303 -1.834 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -7.073 -5.458 -1.685 1.00 0.00 H new ATOM 533 N GLN A 35 -11.982 1.274 -1.350 1.00 0.00 N ATOM 534 CA GLN A 35 -13.249 0.942 -2.000 1.00 0.00 C ATOM 535 C GLN A 35 -13.290 1.539 -3.410 1.00 0.00 C ATOM 536 O GLN A 35 -13.708 0.860 -4.343 1.00 0.00 O ATOM 537 CB GLN A 35 -14.468 1.371 -1.161 1.00 0.00 C ATOM 538 CG GLN A 35 -14.500 0.695 0.221 1.00 0.00 C ATOM 539 CD GLN A 35 -15.905 0.432 0.759 1.00 0.00 C ATOM 540 OE1 GLN A 35 -16.392 1.170 1.614 1.00 0.00 O ATOM 541 NE2 GLN A 35 -16.563 -0.635 0.327 1.00 0.00 N ATOM 0 H GLN A 35 -12.083 1.794 -0.478 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.308 -0.143 -2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.454 2.453 -1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.382 1.127 -1.703 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.963 -0.252 0.162 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.963 1.323 0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.147 -1.238 -0.383 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.485 -0.853 0.704 1.00 0.00 H new ATOM 550 N ARG A 36 -12.774 2.757 -3.609 1.00 0.00 N ATOM 551 CA ARG A 36 -12.697 3.411 -4.924 1.00 0.00 C ATOM 552 C ARG A 36 -11.879 2.626 -5.958 1.00 0.00 C ATOM 553 O ARG A 36 -11.982 2.937 -7.142 1.00 0.00 O ATOM 554 CB ARG A 36 -12.132 4.829 -4.753 1.00 0.00 C ATOM 555 CG ARG A 36 -13.148 5.788 -4.109 1.00 0.00 C ATOM 556 CD ARG A 36 -12.405 6.915 -3.381 1.00 0.00 C ATOM 557 NE ARG A 36 -13.314 7.823 -2.675 1.00 0.00 N ATOM 558 CZ ARG A 36 -13.032 8.546 -1.586 1.00 0.00 C ATOM 559 NH1 ARG A 36 -11.811 8.587 -1.064 1.00 0.00 N ATOM 560 NH2 ARG A 36 -14.002 9.244 -1.008 1.00 0.00 N ATOM 0 H ARG A 36 -12.393 3.325 -2.853 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.712 3.451 -5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.234 4.788 -4.137 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.834 5.219 -5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.803 6.206 -4.873 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.782 5.245 -3.408 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.703 6.482 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.817 7.483 -4.102 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.257 7.912 -3.053 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.054 8.056 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.631 9.149 -0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.945 9.224 -1.395 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.804 9.801 -0.177 1.00 0.00 H new ATOM 574 N PHE A 37 -11.096 1.611 -5.584 1.00 0.00 N ATOM 575 CA PHE A 37 -10.516 0.691 -6.560 1.00 0.00 C ATOM 576 C PHE A 37 -11.592 -0.298 -7.006 1.00 0.00 C ATOM 577 O PHE A 37 -11.979 -0.329 -8.170 1.00 0.00 O ATOM 578 CB PHE A 37 -9.289 -0.011 -5.955 1.00 0.00 C ATOM 579 CG PHE A 37 -8.348 -0.759 -6.900 1.00 0.00 C ATOM 580 CD1 PHE A 37 -8.797 -1.734 -7.824 1.00 0.00 C ATOM 581 CD2 PHE A 37 -6.967 -0.513 -6.784 1.00 0.00 C ATOM 582 CE1 PHE A 37 -7.877 -2.455 -8.618 1.00 0.00 C ATOM 583 CE2 PHE A 37 -6.045 -1.233 -7.557 1.00 0.00 C ATOM 584 CZ PHE A 37 -6.498 -2.206 -8.465 1.00 0.00 C ATOM 0 H PHE A 37 -10.851 1.407 -4.615 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.169 1.233 -7.440 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.702 0.740 -5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.645 -0.721 -5.209 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.855 -1.929 -7.923 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.614 0.238 -6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.225 -3.187 -9.332 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.987 -1.040 -7.455 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.784 -2.767 -9.050 1.00 0.00 H new ATOM 594 N CYS A 38 -12.052 -1.169 -6.110 1.00 0.00 N ATOM 595 CA CYS A 38 -12.964 -2.269 -6.435 1.00 0.00 C ATOM 596 C CYS A 38 -14.378 -1.827 -6.823 1.00 0.00 C ATOM 597 O CYS A 38 -15.169 -2.633 -7.322 1.00 0.00 O ATOM 598 CB CYS A 38 -13.005 -3.215 -5.246 1.00 0.00 C ATOM 599 SG CYS A 38 -13.420 -2.334 -3.728 1.00 0.00 S ATOM 0 H CYS A 38 -11.799 -1.132 -5.123 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.575 -2.763 -7.325 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.740 -4.000 -5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -12.037 -3.704 -5.133 1.00 0.00 H new ATOM 0 HG CYS A 38 -13.573 -1.069 -3.988 1.00 0.00 H new ATOM 605 N ALA A 39 -14.707 -0.570 -6.559 1.00 0.00 N ATOM 606 CA ALA A 39 -15.939 0.092 -6.979 1.00 0.00 C ATOM 607 C ALA A 39 -15.865 0.619 -8.418 1.00 0.00 C ATOM 608 O ALA A 39 -16.917 0.874 -9.022 1.00 0.00 O ATOM 609 CB ALA A 39 -16.232 1.268 -6.037 1.00 0.00 C ATOM 0 H ALA A 39 -14.096 0.046 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.734 -0.652 -6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.151 1.764 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.347 0.898 -5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.406 1.978 -6.074 1.00 0.00 H new ATOM 615 N ASP A 40 -14.659 0.842 -8.956 1.00 0.00 N ATOM 616 CA ASP A 40 -14.476 1.776 -10.068 1.00 0.00 C ATOM 617 C ASP A 40 -13.336 1.433 -11.032 1.00 0.00 C ATOM 618 O ASP A 40 -13.066 2.187 -11.968 1.00 0.00 O ATOM 619 CB ASP A 40 -14.282 3.169 -9.457 1.00 0.00 C ATOM 620 CG ASP A 40 -15.542 4.019 -9.536 1.00 0.00 C ATOM 621 OD1 ASP A 40 -16.166 4.139 -10.615 1.00 0.00 O ATOM 622 OD2 ASP A 40 -15.944 4.578 -8.492 1.00 0.00 O ATOM 0 H ASP A 40 -13.801 0.390 -8.639 1.00 0.00 H new ATOM 0 HA ASP A 40 -15.364 1.721 -10.698 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.981 3.067 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.470 3.680 -9.974 1.00 0.00 H new ATOM 627 N SER A 41 -12.651 0.316 -10.807 1.00 0.00 N ATOM 628 CA SER A 41 -11.469 -0.119 -11.539 1.00 0.00 C ATOM 629 C SER A 41 -11.479 -1.655 -11.517 1.00 0.00 C ATOM 630 O SER A 41 -11.784 -2.298 -12.524 1.00 0.00 O ATOM 631 CB SER A 41 -10.242 0.569 -10.901 1.00 0.00 C ATOM 632 OG SER A 41 -9.026 0.245 -11.531 1.00 0.00 O ATOM 0 H SER A 41 -12.919 -0.341 -10.074 1.00 0.00 H new ATOM 0 HA SER A 41 -11.442 0.170 -12.590 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.383 1.649 -10.935 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.184 0.288 -9.850 1.00 0.00 H new ATOM 0 HG SER A 41 -8.291 0.712 -11.083 1.00 0.00 H new ATOM 638 N LYS A 42 -11.324 -2.233 -10.319 1.00 0.00 N ATOM 639 CA LYS A 42 -11.685 -3.603 -9.928 1.00 0.00 C ATOM 640 C LYS A 42 -11.087 -4.758 -10.748 1.00 0.00 C ATOM 641 O LYS A 42 -11.668 -5.846 -10.733 1.00 0.00 O ATOM 642 CB LYS A 42 -13.219 -3.710 -9.781 1.00 0.00 C ATOM 643 CG LYS A 42 -14.016 -3.860 -11.089 1.00 0.00 C ATOM 644 CD LYS A 42 -15.397 -4.456 -10.816 1.00 0.00 C ATOM 645 CE LYS A 42 -16.052 -4.805 -12.151 1.00 0.00 C ATOM 646 NZ LYS A 42 -17.225 -5.682 -11.985 1.00 0.00 N ATOM 0 H LYS A 42 -10.913 -1.718 -9.540 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.195 -3.756 -8.966 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.444 -4.564 -9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.577 -2.821 -9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.123 -2.887 -11.569 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.469 -4.499 -11.782 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.308 -5.347 -10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.014 -3.745 -10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.355 -3.888 -12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.322 -5.296 -12.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.636 -5.892 -12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.933 -6.569 -11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.934 -5.205 -11.393 1.00 0.00 H new ATOM 660 N HIS A 43 -9.961 -4.579 -11.437 1.00 0.00 N ATOM 661 CA HIS A 43 -9.520 -5.553 -12.441 1.00 0.00 C ATOM 662 C HIS A 43 -8.198 -6.238 -12.139 1.00 0.00 C ATOM 663 O HIS A 43 -7.623 -6.976 -12.941 1.00 0.00 O ATOM 664 CB HIS A 43 -9.396 -4.735 -13.721 1.00 0.00 C ATOM 665 CG HIS A 43 -9.410 -5.553 -14.989 1.00 0.00 C ATOM 666 ND1 HIS A 43 -10.540 -5.826 -15.726 1.00 0.00 N ATOM 667 CD2 HIS A 43 -8.349 -6.143 -15.622 1.00 0.00 C ATOM 668 CE1 HIS A 43 -10.177 -6.546 -16.794 1.00 0.00 C ATOM 669 NE2 HIS A 43 -8.856 -6.787 -16.763 1.00 0.00 N ATOM 0 H HIS A 43 -9.341 -3.777 -11.322 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.234 -6.375 -12.489 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -10.214 -4.016 -13.758 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.469 -4.162 -13.683 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -7.317 -6.118 -15.304 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.849 -6.884 -17.569 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.323 -7.334 -17.439 1.00 0.00 H new ATOM 677 N LEU A 44 -7.745 -6.059 -10.921 1.00 0.00 N ATOM 678 CA LEU A 44 -6.362 -6.238 -10.594 1.00 0.00 C ATOM 679 C LEU A 44 -6.250 -6.626 -9.153 1.00 0.00 C ATOM 680 O LEU A 44 -5.975 -5.777 -8.311 1.00 0.00 O ATOM 681 CB LEU A 44 -5.631 -4.949 -10.923 1.00 0.00 C ATOM 682 CG LEU A 44 -5.165 -4.836 -12.379 1.00 0.00 C ATOM 683 CD1 LEU A 44 -4.381 -3.540 -12.418 1.00 0.00 C ATOM 684 CD2 LEU A 44 -4.257 -5.980 -12.848 1.00 0.00 C ATOM 0 H LEU A 44 -8.331 -5.785 -10.132 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.904 -7.039 -11.174 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.286 -4.107 -10.698 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.763 -4.861 -10.269 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.029 -4.874 -13.042 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.005 -3.373 -13.427 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.031 -2.713 -12.131 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.543 -3.601 -11.724 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.976 -5.818 -13.889 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.360 -6.009 -12.230 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.789 -6.927 -12.759 1.00 0.00 H new ATOM 696 N LEU A 45 -6.507 -7.900 -8.873 1.00 0.00 N ATOM 697 CA LEU A 45 -6.540 -8.441 -7.530 1.00 0.00 C ATOM 698 C LEU A 45 -6.099 -9.892 -7.619 1.00 0.00 C ATOM 699 O LEU A 45 -6.862 -10.752 -8.066 1.00 0.00 O ATOM 700 CB LEU A 45 -7.962 -8.314 -6.963 1.00 0.00 C ATOM 701 CG LEU A 45 -8.489 -6.869 -6.832 1.00 0.00 C ATOM 702 CD1 LEU A 45 -9.956 -6.876 -6.389 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.660 -5.970 -5.890 1.00 0.00 C ATOM 0 H LEU A 45 -6.702 -8.595 -9.593 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.874 -7.898 -6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.643 -8.876 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.988 -8.784 -5.980 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.393 -6.432 -7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.314 -5.850 -6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.556 -7.408 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.042 -7.375 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.101 -4.974 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.657 -6.399 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.637 -5.902 -6.259 1.00 0.00 H new ATOM 715 N GLN A 46 -4.846 -10.148 -7.252 1.00 0.00 N ATOM 716 CA GLN A 46 -4.146 -11.409 -7.498 1.00 0.00 C ATOM 717 C GLN A 46 -3.682 -11.998 -6.163 1.00 0.00 C ATOM 718 O GLN A 46 -3.492 -11.269 -5.181 1.00 0.00 O ATOM 719 CB GLN A 46 -2.940 -11.168 -8.424 1.00 0.00 C ATOM 720 CG GLN A 46 -3.263 -10.431 -9.738 1.00 0.00 C ATOM 721 CD GLN A 46 -2.072 -9.679 -10.311 1.00 0.00 C ATOM 722 OE1 GLN A 46 -1.270 -10.189 -11.087 1.00 0.00 O ATOM 723 NE2 GLN A 46 -1.901 -8.422 -9.951 1.00 0.00 N ATOM 0 H GLN A 46 -4.271 -9.464 -6.760 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.821 -12.113 -7.985 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.191 -10.594 -7.878 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.490 -12.130 -8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.617 -11.153 -10.474 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.078 -9.729 -9.562 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -2.558 -7.982 -9.307 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.112 -7.890 -10.317 1.00 0.00 H new ATOM 732 N TYR A 47 -3.476 -13.315 -6.131 1.00 0.00 N ATOM 733 CA TYR A 47 -2.920 -14.016 -4.979 1.00 0.00 C ATOM 734 C TYR A 47 -1.456 -13.603 -4.830 1.00 0.00 C ATOM 735 O TYR A 47 -0.583 -14.130 -5.524 1.00 0.00 O ATOM 736 CB TYR A 47 -3.082 -15.537 -5.134 1.00 0.00 C ATOM 737 CG TYR A 47 -4.489 -16.007 -5.472 1.00 0.00 C ATOM 738 CD1 TYR A 47 -5.612 -15.494 -4.790 1.00 0.00 C ATOM 739 CD2 TYR A 47 -4.675 -16.982 -6.471 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.906 -15.934 -5.119 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.965 -17.440 -6.792 1.00 0.00 C ATOM 742 CZ TYR A 47 -7.090 -16.919 -6.117 1.00 0.00 C ATOM 743 OH TYR A 47 -8.338 -17.389 -6.397 1.00 0.00 O ATOM 0 H TYR A 47 -3.694 -13.930 -6.915 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.459 -13.743 -4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.404 -15.881 -5.915 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.769 -16.016 -4.206 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.477 -14.759 -4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.819 -17.381 -6.995 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.762 -15.519 -4.608 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.095 -18.192 -7.556 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.283 -18.060 -7.109 1.00 0.00 H new ATOM 753 N GLY A 48 -1.211 -12.619 -3.963 1.00 0.00 N ATOM 754 CA GLY A 48 0.101 -12.033 -3.743 1.00 0.00 C ATOM 755 C GLY A 48 0.099 -10.499 -3.772 1.00 0.00 C ATOM 756 O GLY A 48 1.172 -9.898 -3.712 1.00 0.00 O ATOM 0 H GLY A 48 -1.940 -12.202 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.484 -12.370 -2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.787 -12.402 -4.505 1.00 0.00 H new ATOM 760 N ASP A 49 -1.083 -9.862 -3.833 1.00 0.00 N ATOM 761 CA ASP A 49 -1.281 -8.430 -4.108 1.00 0.00 C ATOM 762 C ASP A 49 -0.613 -7.454 -3.128 1.00 0.00 C ATOM 763 O ASP A 49 -0.422 -6.296 -3.475 1.00 0.00 O ATOM 764 CB ASP A 49 -2.783 -8.109 -4.144 1.00 0.00 C ATOM 765 CG ASP A 49 -3.311 -7.604 -5.469 1.00 0.00 C ATOM 766 OD1 ASP A 49 -2.909 -8.086 -6.553 1.00 0.00 O ATOM 767 OD2 ASP A 49 -4.257 -6.802 -5.409 1.00 0.00 O ATOM 0 H ASP A 49 -1.965 -10.353 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.791 -8.276 -5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.335 -9.008 -3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.995 -7.361 -3.380 1.00 0.00 H new ATOM 772 N LYS A 50 -0.288 -7.929 -1.923 1.00 0.00 N ATOM 773 CA LYS A 50 0.493 -7.330 -0.836 1.00 0.00 C ATOM 774 C LYS A 50 0.227 -5.870 -0.462 1.00 0.00 C ATOM 775 O LYS A 50 0.336 -4.941 -1.262 1.00 0.00 O ATOM 776 CB LYS A 50 1.980 -7.520 -1.098 1.00 0.00 C ATOM 777 CG LYS A 50 2.802 -7.468 0.189 1.00 0.00 C ATOM 778 CD LYS A 50 4.096 -8.282 0.168 1.00 0.00 C ATOM 779 CE LYS A 50 3.791 -9.751 0.476 1.00 0.00 C ATOM 780 NZ LYS A 50 4.981 -10.452 0.982 1.00 0.00 N ATOM 0 H LYS A 50 -0.606 -8.860 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 50 0.140 -7.879 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.141 -8.478 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.329 -6.746 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.049 -6.428 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.182 -7.823 1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.574 -8.197 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.798 -7.885 0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.991 -9.811 1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.431 -10.246 -0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.741 -11.444 1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.736 -10.415 0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.309 -9.993 1.856 1.00 0.00 H new ATOM 794 N LEU A 51 0.003 -5.644 0.829 1.00 0.00 N ATOM 795 CA LEU A 51 -0.248 -4.341 1.403 1.00 0.00 C ATOM 796 C LEU A 51 0.705 -4.119 2.569 1.00 0.00 C ATOM 797 O LEU A 51 1.084 -5.071 3.252 1.00 0.00 O ATOM 798 CB LEU A 51 -1.714 -4.279 1.915 1.00 0.00 C ATOM 799 CG LEU A 51 -2.722 -3.672 0.923 1.00 0.00 C ATOM 800 CD1 LEU A 51 -4.163 -4.059 1.256 1.00 0.00 C ATOM 801 CD2 LEU A 51 -2.705 -2.147 0.944 1.00 0.00 C ATOM 0 H LEU A 51 -0.008 -6.393 1.521 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.093 -3.569 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.038 -5.289 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.737 -3.697 2.836 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.416 -4.062 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.838 -3.608 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.266 -5.144 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.414 -3.702 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.433 -1.765 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.960 -1.794 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.710 -1.790 0.676 1.00 0.00 H new ATOM 813 N VAL A 52 1.040 -2.867 2.851 1.00 0.00 N ATOM 814 CA VAL A 52 1.649 -2.424 4.099 1.00 0.00 C ATOM 815 C VAL A 52 0.760 -1.289 4.589 1.00 0.00 C ATOM 816 O VAL A 52 0.260 -0.509 3.774 1.00 0.00 O ATOM 817 CB VAL A 52 3.110 -1.989 3.870 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.749 -1.391 5.133 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.984 -3.176 3.444 1.00 0.00 C ATOM 0 H VAL A 52 0.890 -2.103 2.192 1.00 0.00 H new ATOM 0 HA VAL A 52 1.708 -3.216 4.846 1.00 0.00 H new ATOM 0 HB VAL A 52 3.067 -1.234 3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.777 -1.101 4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.183 -0.514 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.741 -2.133 5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.008 -2.837 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.967 -3.938 4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.598 -3.597 2.516 1.00 0.00 H new ATOM 829 N ASP A 53 0.549 -1.206 5.897 1.00 0.00 N ATOM 830 CA ASP A 53 -0.269 -0.188 6.543 1.00 0.00 C ATOM 831 C ASP A 53 0.605 0.817 7.295 1.00 0.00 C ATOM 832 O ASP A 53 1.831 0.674 7.362 1.00 0.00 O ATOM 833 CB ASP A 53 -1.322 -0.865 7.435 1.00 0.00 C ATOM 834 CG ASP A 53 -0.840 -1.389 8.793 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.375 -1.352 9.075 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.705 -1.848 9.570 1.00 0.00 O ATOM 0 H ASP A 53 0.956 -1.867 6.558 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.805 0.389 5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.127 -0.152 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.751 -1.700 6.881 1.00 0.00 H new ATOM 841 N SER A 54 -0.025 1.840 7.869 1.00 0.00 N ATOM 842 CA SER A 54 0.646 2.896 8.624 1.00 0.00 C ATOM 843 C SER A 54 1.330 2.377 9.894 1.00 0.00 C ATOM 844 O SER A 54 2.089 3.121 10.515 1.00 0.00 O ATOM 845 CB SER A 54 -0.372 3.981 8.993 1.00 0.00 C ATOM 846 OG SER A 54 0.013 5.253 8.499 1.00 0.00 O ATOM 0 H SER A 54 -1.037 1.960 7.821 1.00 0.00 H new ATOM 0 HA SER A 54 1.429 3.305 7.985 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.349 3.715 8.590 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.476 4.028 10.077 1.00 0.00 H new ATOM 0 HG SER A 54 -0.328 5.952 9.095 1.00 0.00 H new ATOM 852 N ASN A 55 1.064 1.135 10.296 1.00 0.00 N ATOM 853 CA ASN A 55 1.635 0.486 11.465 1.00 0.00 C ATOM 854 C ASN A 55 2.787 -0.442 11.052 1.00 0.00 C ATOM 855 O ASN A 55 3.348 -1.112 11.926 1.00 0.00 O ATOM 856 CB ASN A 55 0.529 -0.262 12.235 1.00 0.00 C ATOM 857 CG ASN A 55 -0.272 0.654 13.152 1.00 0.00 C ATOM 858 OD1 ASN A 55 -0.577 1.790 12.809 1.00 0.00 O ATOM 859 ND2 ASN A 55 -0.647 0.217 14.343 1.00 0.00 N ATOM 0 H ASN A 55 0.416 0.531 9.791 1.00 0.00 H new ATOM 0 HA ASN A 55 2.055 1.237 12.134 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.146 -0.737 11.523 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.979 -1.058 12.827 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.183 0.824 14.963 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.400 -0.727 14.641 1.00 0.00 H new ATOM 866 N PHE A 56 3.185 -0.441 9.768 1.00 0.00 N ATOM 867 CA PHE A 56 4.229 -1.272 9.165 1.00 0.00 C ATOM 868 C PHE A 56 3.854 -2.748 9.160 1.00 0.00 C ATOM 869 O PHE A 56 4.728 -3.604 9.033 1.00 0.00 O ATOM 870 CB PHE A 56 5.593 -1.045 9.845 1.00 0.00 C ATOM 871 CG PHE A 56 6.138 0.359 9.755 1.00 0.00 C ATOM 872 CD1 PHE A 56 6.744 0.761 8.559 1.00 0.00 C ATOM 873 CD2 PHE A 56 6.120 1.230 10.862 1.00 0.00 C ATOM 874 CE1 PHE A 56 7.400 1.994 8.490 1.00 0.00 C ATOM 875 CE2 PHE A 56 6.719 2.500 10.767 1.00 0.00 C ATOM 876 CZ PHE A 56 7.371 2.876 9.578 1.00 0.00 C ATOM 0 H PHE A 56 2.755 0.182 9.084 1.00 0.00 H new ATOM 0 HA PHE A 56 4.320 -0.961 8.124 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.504 -1.315 10.897 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.318 -1.727 9.401 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.705 0.120 7.691 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.647 0.923 11.783 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.933 2.268 7.592 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.678 3.183 11.603 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.848 3.842 9.504 1.00 0.00 H new ATOM 886 N HIS A 57 2.582 -3.089 9.319 1.00 0.00 N ATOM 887 CA HIS A 57 2.154 -4.464 9.228 1.00 0.00 C ATOM 888 C HIS A 57 2.139 -4.881 7.759 1.00 0.00 C ATOM 889 O HIS A 57 1.391 -4.325 6.952 1.00 0.00 O ATOM 890 CB HIS A 57 0.770 -4.616 9.830 1.00 0.00 C ATOM 891 CG HIS A 57 0.579 -4.142 11.241 1.00 0.00 C ATOM 892 ND1 HIS A 57 1.427 -4.314 12.301 1.00 0.00 N flip ATOM 893 CD2 HIS A 57 -0.557 -3.517 11.694 1.00 0.00 C flip ATOM 894 CE1 HIS A 57 0.760 -3.848 13.445 1.00 0.00 C flip ATOM 895 NE2 HIS A 57 -0.430 -3.368 13.018 1.00 0.00 N flip ATOM 0 H HIS A 57 1.833 -2.425 9.512 1.00 0.00 H new ATOM 0 HA HIS A 57 2.843 -5.102 9.781 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.065 -4.079 9.195 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.498 -5.671 9.788 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.368 -4.707 12.266 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.398 -3.204 11.093 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.124 -3.869 14.462 1.00 0.00 H new ATOM 903 N CYS A 58 2.963 -5.859 7.391 1.00 0.00 N ATOM 904 CA CYS A 58 2.879 -6.489 6.089 1.00 0.00 C ATOM 905 C CYS A 58 1.676 -7.438 6.073 1.00 0.00 C ATOM 906 O CYS A 58 1.470 -8.203 7.028 1.00 0.00 O ATOM 907 CB CYS A 58 4.171 -7.275 5.823 1.00 0.00 C ATOM 908 SG CYS A 58 5.665 -6.259 6.005 1.00 0.00 S ATOM 0 H CYS A 58 3.702 -6.231 7.988 1.00 0.00 H new ATOM 0 HA CYS A 58 2.755 -5.733 5.313 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.225 -8.119 6.511 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.139 -7.687 4.815 1.00 0.00 H new ATOM 0 HG CYS A 58 6.716 -6.987 5.769 1.00 0.00 H new ATOM 914 N PHE A 59 0.925 -7.434 4.971 1.00 0.00 N ATOM 915 CA PHE A 59 -0.230 -8.285 4.712 1.00 0.00 C ATOM 916 C PHE A 59 -0.292 -8.694 3.242 1.00 0.00 C ATOM 917 O PHE A 59 0.221 -7.955 2.405 1.00 0.00 O ATOM 918 CB PHE A 59 -1.492 -7.478 5.021 1.00 0.00 C ATOM 919 CG PHE A 59 -1.675 -7.134 6.476 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.717 -8.159 7.432 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.750 -5.794 6.879 1.00 0.00 C ATOM 922 CE1 PHE A 59 -1.760 -7.845 8.798 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.899 -5.486 8.237 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.872 -6.504 9.202 1.00 0.00 C ATOM 0 H PHE A 59 1.119 -6.801 4.195 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.152 -9.179 5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.467 -6.554 4.443 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.361 -8.043 4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.716 -9.192 7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.693 -5.003 6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.707 -8.631 9.537 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.035 -4.459 8.543 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.937 -6.258 10.252 1.00 0.00 H new ATOM 934 N VAL A 60 -0.978 -9.788 2.889 1.00 0.00 N ATOM 935 CA VAL A 60 -1.311 -10.128 1.503 1.00 0.00 C ATOM 936 C VAL A 60 -2.588 -10.973 1.348 1.00 0.00 C ATOM 937 O VAL A 60 -2.924 -11.731 2.247 1.00 0.00 O ATOM 938 CB VAL A 60 -0.072 -10.750 0.859 1.00 0.00 C ATOM 939 CG1 VAL A 60 0.613 -11.920 1.535 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.338 -11.223 -0.557 1.00 0.00 C ATOM 0 H VAL A 60 -1.321 -10.469 3.567 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.573 -9.215 0.969 1.00 0.00 H new ATOM 0 HB VAL A 60 0.601 -9.896 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.471 -12.232 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.949 -11.621 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.088 -12.750 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.571 -11.657 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.127 -11.975 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.650 -10.378 -1.171 1.00 0.00 H new ATOM 950 N LEU A 61 -3.274 -10.831 0.202 1.00 0.00 N ATOM 951 CA LEU A 61 -4.440 -11.608 -0.236 1.00 0.00 C ATOM 952 C LEU A 61 -4.008 -13.030 -0.557 1.00 0.00 C ATOM 953 O LEU A 61 -3.057 -13.230 -1.322 1.00 0.00 O ATOM 954 CB LEU A 61 -5.089 -10.993 -1.502 1.00 0.00 C ATOM 955 CG LEU A 61 -6.224 -11.834 -2.147 1.00 0.00 C ATOM 956 CD1 LEU A 61 -7.497 -11.848 -1.291 1.00 0.00 C ATOM 957 CD2 LEU A 61 -6.621 -11.280 -3.521 1.00 0.00 C ATOM 0 H LEU A 61 -3.010 -10.125 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.171 -11.598 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.489 -10.012 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.310 -10.834 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.820 -12.843 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.261 -12.449 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.274 -12.276 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.862 -10.829 -1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.418 -11.892 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.971 -10.254 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.757 -11.300 -4.185 1.00 0.00 H new ATOM 969 N GLU A 62 -4.761 -13.994 -0.045 1.00 0.00 N ATOM 970 CA GLU A 62 -4.553 -15.415 -0.259 1.00 0.00 C ATOM 971 C GLU A 62 -5.726 -15.986 -1.073 1.00 0.00 C ATOM 972 O GLU A 62 -6.718 -15.302 -1.337 1.00 0.00 O ATOM 973 CB GLU A 62 -4.369 -16.123 1.061 1.00 0.00 C ATOM 974 CG GLU A 62 -3.104 -15.611 1.757 1.00 0.00 C ATOM 975 CD GLU A 62 -1.801 -16.338 1.400 1.00 0.00 C ATOM 976 OE1 GLU A 62 -1.410 -16.319 0.208 1.00 0.00 O ATOM 977 OE2 GLU A 62 -1.111 -16.886 2.295 1.00 0.00 O ATOM 0 H GLU A 62 -5.563 -13.797 0.553 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.640 -15.576 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.238 -15.955 1.698 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.295 -17.198 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.984 -14.554 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.252 -15.680 2.835 1.00 0.00 H new ATOM 984 N GLU A 63 -5.640 -17.259 -1.445 1.00 0.00 N ATOM 985 CA GLU A 63 -6.616 -17.977 -2.266 1.00 0.00 C ATOM 986 C GLU A 63 -7.985 -18.116 -1.591 1.00 0.00 C ATOM 987 O GLU A 63 -8.997 -18.348 -2.258 1.00 0.00 O ATOM 988 CB GLU A 63 -6.076 -19.375 -2.581 1.00 0.00 C ATOM 989 CG GLU A 63 -4.621 -19.364 -3.069 1.00 0.00 C ATOM 990 CD GLU A 63 -4.156 -20.768 -3.420 1.00 0.00 C ATOM 991 OE1 GLU A 63 -3.991 -21.610 -2.506 1.00 0.00 O ATOM 992 OE2 GLU A 63 -3.965 -21.051 -4.621 1.00 0.00 O ATOM 0 H GLU A 63 -4.853 -17.847 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.760 -17.392 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.148 -19.995 -1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.704 -19.837 -3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.531 -18.718 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.977 -18.946 -2.295 1.00 0.00 H new ATOM 999 N ASP A 64 -8.018 -17.979 -0.266 1.00 0.00 N ATOM 1000 CA ASP A 64 -9.216 -18.080 0.567 1.00 0.00 C ATOM 1001 C ASP A 64 -10.010 -16.765 0.578 1.00 0.00 C ATOM 1002 O ASP A 64 -10.961 -16.604 1.345 1.00 0.00 O ATOM 1003 CB ASP A 64 -8.788 -18.462 1.994 1.00 0.00 C ATOM 1004 CG ASP A 64 -9.762 -19.428 2.663 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -10.173 -20.401 1.992 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -10.055 -19.296 3.872 1.00 0.00 O ATOM 0 H ASP A 64 -7.177 -17.787 0.278 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.873 -18.846 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.797 -18.915 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.706 -17.559 2.598 1.00 0.00 H new ATOM 1011 N ALA A 65 -9.582 -15.798 -0.244 1.00 0.00 N ATOM 1012 CA ALA A 65 -10.068 -14.431 -0.379 1.00 0.00 C ATOM 1013 C ALA A 65 -9.782 -13.546 0.840 1.00 0.00 C ATOM 1014 O ALA A 65 -10.064 -12.344 0.769 1.00 0.00 O ATOM 1015 CB ALA A 65 -11.545 -14.387 -0.806 1.00 0.00 C ATOM 0 H ALA A 65 -8.813 -15.977 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.485 -13.990 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.867 -13.350 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.661 -14.887 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.155 -14.894 -0.058 1.00 0.00 H new ATOM 1021 N HIS A 66 -9.220 -14.087 1.926 1.00 0.00 N ATOM 1022 CA HIS A 66 -8.776 -13.286 3.057 1.00 0.00 C ATOM 1023 C HIS A 66 -7.453 -12.591 2.777 1.00 0.00 C ATOM 1024 O HIS A 66 -6.751 -12.929 1.827 1.00 0.00 O ATOM 1025 CB HIS A 66 -8.757 -14.113 4.358 1.00 0.00 C ATOM 1026 CG HIS A 66 -7.845 -15.316 4.345 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -8.140 -16.543 4.895 1.00 0.00 N ATOM 1028 CD2 HIS A 66 -6.585 -15.397 3.812 1.00 0.00 C ATOM 1029 CE1 HIS A 66 -7.108 -17.365 4.637 1.00 0.00 C ATOM 1030 NE2 HIS A 66 -6.155 -16.715 3.954 1.00 0.00 N ATOM 0 H HIS A 66 -9.063 -15.088 2.040 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.506 -12.490 3.205 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.459 -13.461 5.179 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.772 -14.449 4.570 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.027 -14.588 3.364 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.054 -18.401 4.937 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.282 -17.110 3.605 1.00 0.00 H new ATOM 1038 N TRP A 67 -7.085 -11.653 3.645 1.00 0.00 N ATOM 1039 CA TRP A 67 -5.748 -11.092 3.691 1.00 0.00 C ATOM 1040 C TRP A 67 -5.068 -11.633 4.949 1.00 0.00 C ATOM 1041 O TRP A 67 -5.727 -11.820 5.974 1.00 0.00 O ATOM 1042 CB TRP A 67 -5.824 -9.561 3.643 1.00 0.00 C ATOM 1043 CG TRP A 67 -6.055 -8.983 2.275 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -7.168 -9.114 1.515 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -5.103 -8.266 1.439 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.962 -8.510 0.286 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.713 -7.949 0.193 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -3.759 -7.891 1.595 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -5.035 -7.290 -0.846 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -3.055 -7.282 0.545 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -3.684 -6.965 -0.667 1.00 0.00 C ATOM 0 H TRP A 67 -7.718 -11.260 4.342 1.00 0.00 H new ATOM 0 HA TRP A 67 -5.150 -11.385 2.828 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -6.627 -9.230 4.302 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.896 -9.153 4.042 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -8.076 -9.613 1.820 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.656 -8.485 -0.461 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.260 -8.074 2.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -5.545 -7.039 -1.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.007 -7.053 0.673 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -3.132 -6.475 -1.455 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.766 -11.896 4.871 1.00 0.00 N ATOM 1063 CA HIS A 68 -3.014 -12.644 5.867 1.00 0.00 C ATOM 1064 C HIS A 68 -1.692 -11.954 6.211 1.00 0.00 C ATOM 1065 O HIS A 68 -1.152 -11.229 5.377 1.00 0.00 O ATOM 1066 CB HIS A 68 -2.802 -14.072 5.331 1.00 0.00 C ATOM 1067 CG HIS A 68 -3.822 -15.050 5.882 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -4.979 -14.730 6.564 1.00 0.00 N ATOM 1069 CD2 HIS A 68 -3.666 -16.409 5.976 1.00 0.00 C ATOM 1070 CE1 HIS A 68 -5.497 -15.863 7.060 1.00 0.00 C ATOM 1071 NE2 HIS A 68 -4.692 -16.905 6.792 1.00 0.00 N ATOM 0 H HIS A 68 -3.191 -11.584 4.089 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.574 -12.688 6.801 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.862 -14.062 4.243 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.799 -14.411 5.592 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -5.371 -13.795 6.672 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.890 -16.994 5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.430 -15.929 7.599 1.00 0.00 H new ATOM 1079 N PRO A 69 -1.174 -12.144 7.441 1.00 0.00 N ATOM 1080 CA PRO A 69 -0.014 -11.428 7.957 1.00 0.00 C ATOM 1081 C PRO A 69 1.297 -11.921 7.351 1.00 0.00 C ATOM 1082 O PRO A 69 1.477 -13.115 7.108 1.00 0.00 O ATOM 1083 CB PRO A 69 -0.041 -11.656 9.472 1.00 0.00 C ATOM 1084 CG PRO A 69 -0.684 -13.031 9.599 1.00 0.00 C ATOM 1085 CD PRO A 69 -1.712 -13.023 8.471 1.00 0.00 C ATOM 0 HA PRO A 69 -0.064 -10.371 7.696 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.961 -11.638 9.901 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.622 -10.890 9.985 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.045 -13.832 9.477 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.152 -13.171 10.573 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.871 -14.028 8.081 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.677 -12.662 8.826 1.00 0.00 H new ATOM 1093 N ALA A 70 2.245 -10.996 7.192 1.00 0.00 N ATOM 1094 CA ALA A 70 3.568 -11.237 6.632 1.00 0.00 C ATOM 1095 C ALA A 70 4.676 -10.559 7.461 1.00 0.00 C ATOM 1096 O ALA A 70 5.667 -10.099 6.891 1.00 0.00 O ATOM 1097 CB ALA A 70 3.535 -10.835 5.149 1.00 0.00 C ATOM 0 H ALA A 70 2.103 -10.023 7.461 1.00 0.00 H new ATOM 0 HA ALA A 70 3.825 -12.295 6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.515 -11.006 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.790 -11.434 4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.277 -9.780 5.064 1.00 0.00 H new ATOM 1103 N ALA A 71 4.531 -10.525 8.798 1.00 0.00 N ATOM 1104 CA ALA A 71 5.446 -9.892 9.763 1.00 0.00 C ATOM 1105 C ALA A 71 5.389 -8.351 9.685 1.00 0.00 C ATOM 1106 O ALA A 71 4.695 -7.809 8.826 1.00 0.00 O ATOM 1107 CB ALA A 71 6.857 -10.487 9.626 1.00 0.00 C ATOM 0 H ALA A 71 3.731 -10.961 9.257 1.00 0.00 H new ATOM 0 HA ALA A 71 5.115 -10.123 10.776 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.524 -10.011 10.345 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.820 -11.559 9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.229 -10.314 8.616 1.00 0.00 H new ATOM 1113 N PRO A 72 5.933 -7.592 10.650 1.00 0.00 N ATOM 1114 CA PRO A 72 6.079 -6.146 10.490 1.00 0.00 C ATOM 1115 C PRO A 72 7.232 -5.805 9.536 1.00 0.00 C ATOM 1116 O PRO A 72 7.976 -6.690 9.100 1.00 0.00 O ATOM 1117 CB PRO A 72 6.328 -5.602 11.893 1.00 0.00 C ATOM 1118 CG PRO A 72 7.008 -6.770 12.597 1.00 0.00 C ATOM 1119 CD PRO A 72 6.352 -8.004 11.981 1.00 0.00 C ATOM 0 HA PRO A 72 5.190 -5.699 10.045 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.963 -4.716 11.876 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.399 -5.319 12.387 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.085 -6.765 12.430 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.853 -6.731 13.675 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.052 -8.838 11.932 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.501 -8.336 12.576 1.00 0.00 H new ATOM 1127 N LEU A 73 7.415 -4.516 9.253 1.00 0.00 N ATOM 1128 CA LEU A 73 8.410 -3.992 8.319 1.00 0.00 C ATOM 1129 C LEU A 73 9.367 -3.025 9.046 1.00 0.00 C ATOM 1130 O LEU A 73 8.952 -2.388 10.015 1.00 0.00 O ATOM 1131 CB LEU A 73 7.645 -3.301 7.164 1.00 0.00 C ATOM 1132 CG LEU A 73 8.410 -3.096 5.840 1.00 0.00 C ATOM 1133 CD1 LEU A 73 8.813 -4.404 5.143 1.00 0.00 C ATOM 1134 CD2 LEU A 73 7.526 -2.343 4.840 1.00 0.00 C ATOM 0 H LEU A 73 6.854 -3.781 9.684 1.00 0.00 H new ATOM 0 HA LEU A 73 9.030 -4.791 7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.751 -3.888 6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.310 -2.325 7.516 1.00 0.00 H new ATOM 0 HG LEU A 73 9.311 -2.548 6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.346 -4.175 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 73 9.460 -4.983 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.919 -4.983 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.071 -2.201 3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.622 -2.920 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.255 -1.371 5.253 1.00 0.00 H new ATOM 1146 N PRO A 74 10.633 -2.875 8.611 1.00 0.00 N ATOM 1147 CA PRO A 74 11.516 -1.812 9.091 1.00 0.00 C ATOM 1148 C PRO A 74 11.107 -0.447 8.513 1.00 0.00 C ATOM 1149 O PRO A 74 10.461 -0.396 7.458 1.00 0.00 O ATOM 1150 CB PRO A 74 12.914 -2.202 8.594 1.00 0.00 C ATOM 1151 CG PRO A 74 12.610 -2.933 7.297 1.00 0.00 C ATOM 1152 CD PRO A 74 11.359 -3.718 7.673 1.00 0.00 C ATOM 0 HA PRO A 74 11.472 -1.714 10.176 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.544 -1.328 8.429 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.435 -2.841 9.307 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.429 -2.245 6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.428 -3.586 6.994 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.754 -3.936 6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.618 -4.675 8.126 1.00 0.00 H new ATOM 1160 N PRO A 75 11.577 0.667 9.101 1.00 0.00 N ATOM 1161 CA PRO A 75 11.259 2.002 8.612 1.00 0.00 C ATOM 1162 C PRO A 75 11.947 2.329 7.286 1.00 0.00 C ATOM 1163 O PRO A 75 11.422 3.147 6.537 1.00 0.00 O ATOM 1164 CB PRO A 75 11.709 2.956 9.717 1.00 0.00 C ATOM 1165 CG PRO A 75 12.854 2.201 10.383 1.00 0.00 C ATOM 1166 CD PRO A 75 12.375 0.751 10.317 1.00 0.00 C ATOM 0 HA PRO A 75 10.193 2.088 8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.039 3.913 9.313 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.903 3.167 10.420 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.796 2.342 9.853 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.014 2.529 11.410 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.217 0.059 10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.783 0.491 11.195 1.00 0.00 H new ATOM 1174 N GLU A 76 13.082 1.695 6.967 1.00 0.00 N ATOM 1175 CA GLU A 76 13.791 1.882 5.697 1.00 0.00 C ATOM 1176 C GLU A 76 13.186 1.005 4.611 1.00 0.00 C ATOM 1177 O GLU A 76 13.323 1.280 3.423 1.00 0.00 O ATOM 1178 CB GLU A 76 15.274 1.529 5.847 1.00 0.00 C ATOM 1179 CG GLU A 76 15.945 2.417 6.892 1.00 0.00 C ATOM 1180 CD GLU A 76 17.456 2.498 6.660 1.00 0.00 C ATOM 1181 OE1 GLU A 76 18.126 1.438 6.655 1.00 0.00 O ATOM 1182 OE2 GLU A 76 18.000 3.609 6.472 1.00 0.00 O ATOM 0 H GLU A 76 13.538 1.030 7.591 1.00 0.00 H new ATOM 0 HA GLU A 76 13.693 2.931 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.375 0.483 6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.778 1.646 4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.514 3.418 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.748 2.023 7.889 1.00 0.00 H new ATOM 1189 N GLY A 77 12.444 -0.022 5.023 1.00 0.00 N ATOM 1190 CA GLY A 77 11.663 -0.847 4.117 1.00 0.00 C ATOM 1191 C GLY A 77 10.611 -0.016 3.376 1.00 0.00 C ATOM 1192 O GLY A 77 10.101 -0.441 2.347 1.00 0.00 O ATOM 0 H GLY A 77 12.371 -0.302 6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.325 -1.326 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.172 -1.643 4.678 1.00 0.00 H new ATOM 1196 N LEU A 78 10.285 1.178 3.882 1.00 0.00 N ATOM 1197 CA LEU A 78 9.457 2.171 3.207 1.00 0.00 C ATOM 1198 C LEU A 78 10.138 2.556 1.894 1.00 0.00 C ATOM 1199 O LEU A 78 9.553 2.435 0.818 1.00 0.00 O ATOM 1200 CB LEU A 78 9.309 3.385 4.143 1.00 0.00 C ATOM 1201 CG LEU A 78 8.626 4.625 3.551 1.00 0.00 C ATOM 1202 CD1 LEU A 78 7.223 4.321 3.025 1.00 0.00 C ATOM 1203 CD2 LEU A 78 8.499 5.690 4.648 1.00 0.00 C ATOM 0 H LEU A 78 10.602 1.485 4.801 1.00 0.00 H new ATOM 0 HA LEU A 78 8.465 1.782 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.746 3.072 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.302 3.674 4.487 1.00 0.00 H new ATOM 0 HG LEU A 78 9.238 4.970 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.783 5.231 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.284 3.564 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.601 3.951 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.015 6.577 4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.901 5.296 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.491 5.954 5.015 1.00 0.00 H new ATOM 1215 N ASN A 79 11.402 2.967 1.990 1.00 0.00 N ATOM 1216 CA ASN A 79 12.244 3.372 0.878 1.00 0.00 C ATOM 1217 C ASN A 79 12.488 2.230 -0.109 1.00 0.00 C ATOM 1218 O ASN A 79 12.761 2.525 -1.269 1.00 0.00 O ATOM 1219 CB ASN A 79 13.608 3.886 1.369 1.00 0.00 C ATOM 1220 CG ASN A 79 13.544 4.943 2.464 1.00 0.00 C ATOM 1221 OD1 ASN A 79 13.179 4.656 3.601 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.848 6.199 2.191 1.00 0.00 N ATOM 0 H ASN A 79 11.883 3.027 2.887 1.00 0.00 H new ATOM 0 HA ASN A 79 11.705 4.171 0.370 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.187 3.039 1.737 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.151 4.298 0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.778 6.910 2.919 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.153 6.457 1.253 1.00 0.00 H new ATOM 1229 N ASP A 80 12.398 0.954 0.294 1.00 0.00 N ATOM 1230 CA ASP A 80 12.468 -0.195 -0.628 1.00 0.00 C ATOM 1231 C ASP A 80 11.246 -0.203 -1.540 1.00 0.00 C ATOM 1232 O ASP A 80 11.364 -0.469 -2.735 1.00 0.00 O ATOM 1233 CB ASP A 80 12.463 -1.563 0.093 1.00 0.00 C ATOM 1234 CG ASP A 80 13.799 -2.086 0.607 1.00 0.00 C ATOM 1235 OD1 ASP A 80 14.869 -1.704 0.087 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.755 -2.990 1.476 1.00 0.00 O ATOM 0 H ASP A 80 12.274 0.687 1.271 1.00 0.00 H new ATOM 0 HA ASP A 80 13.405 -0.073 -1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.779 -1.496 0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.051 -2.304 -0.592 1.00 0.00 H new ATOM 1241 N LEU A 81 10.049 0.006 -0.982 1.00 0.00 N ATOM 1242 CA LEU A 81 8.813 0.016 -1.761 1.00 0.00 C ATOM 1243 C LEU A 81 8.835 1.235 -2.673 1.00 0.00 C ATOM 1244 O LEU A 81 8.725 1.112 -3.893 1.00 0.00 O ATOM 1245 CB LEU A 81 7.569 0.014 -0.845 1.00 0.00 C ATOM 1246 CG LEU A 81 7.013 -1.359 -0.436 1.00 0.00 C ATOM 1247 CD1 LEU A 81 6.691 -2.265 -1.626 1.00 0.00 C ATOM 1248 CD2 LEU A 81 7.942 -2.070 0.530 1.00 0.00 C ATOM 0 H LEU A 81 9.913 0.172 0.015 1.00 0.00 H new ATOM 0 HA LEU A 81 8.750 -0.890 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.814 0.565 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.775 0.566 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 81 6.069 -1.152 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.303 -3.217 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.943 -1.785 -2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.597 -2.439 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.517 -3.037 0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.913 -2.218 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.064 -1.466 1.429 1.00 0.00 H new ATOM 1260 N ILE A 82 9.022 2.410 -2.075 1.00 0.00 N ATOM 1261 CA ILE A 82 9.055 3.701 -2.752 1.00 0.00 C ATOM 1262 C ILE A 82 10.110 3.710 -3.865 1.00 0.00 C ATOM 1263 O ILE A 82 9.876 4.338 -4.898 1.00 0.00 O ATOM 1264 CB ILE A 82 9.250 4.808 -1.689 1.00 0.00 C ATOM 1265 CG1 ILE A 82 8.029 4.873 -0.738 1.00 0.00 C ATOM 1266 CG2 ILE A 82 9.571 6.191 -2.284 1.00 0.00 C ATOM 1267 CD1 ILE A 82 6.793 5.569 -1.319 1.00 0.00 C ATOM 0 H ILE A 82 9.160 2.490 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 82 8.111 3.897 -3.260 1.00 0.00 H new ATOM 0 HB ILE A 82 10.132 4.527 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.755 3.857 -0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.325 5.392 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.694 6.914 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.493 6.133 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.754 6.506 -2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.992 5.565 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.043 6.598 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.464 5.040 -2.213 1.00 0.00 H new ATOM 1279 N ARG A 83 11.221 2.978 -3.709 1.00 0.00 N ATOM 1280 CA ARG A 83 12.251 2.823 -4.728 1.00 0.00 C ATOM 1281 C ARG A 83 11.648 2.533 -6.084 1.00 0.00 C ATOM 1282 O ARG A 83 11.903 3.273 -7.029 1.00 0.00 O ATOM 1283 CB ARG A 83 13.245 1.714 -4.334 1.00 0.00 C ATOM 1284 CG ARG A 83 14.658 2.272 -4.303 1.00 0.00 C ATOM 1285 CD ARG A 83 15.271 2.644 -5.656 1.00 0.00 C ATOM 1286 NE ARG A 83 16.457 3.471 -5.398 1.00 0.00 N ATOM 1287 CZ ARG A 83 17.653 3.397 -5.984 1.00 0.00 C ATOM 1288 NH1 ARG A 83 17.854 2.666 -7.076 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.663 4.062 -5.449 1.00 0.00 N ATOM 0 H ARG A 83 11.427 2.469 -2.850 1.00 0.00 H new ATOM 0 HA ARG A 83 12.791 3.767 -4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.983 1.310 -3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.185 0.891 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.661 3.160 -3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.305 1.537 -3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.544 1.747 -6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 83 14.550 3.189 -6.265 1.00 0.00 H new ATOM 0 HE ARG A 83 16.353 4.191 -4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.082 2.142 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.780 2.629 -7.502 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.519 4.617 -4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.587 4.020 -5.880 1.00 0.00 H new ATOM 1303 N ALA A 84 10.856 1.467 -6.184 1.00 0.00 N ATOM 1304 CA ALA A 84 10.411 1.007 -7.480 1.00 0.00 C ATOM 1305 C ALA A 84 9.407 1.967 -8.100 1.00 0.00 C ATOM 1306 O ALA A 84 9.452 2.178 -9.308 1.00 0.00 O ATOM 1307 CB ALA A 84 9.888 -0.423 -7.384 1.00 0.00 C ATOM 0 H ALA A 84 10.519 0.919 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 84 11.264 0.992 -8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.556 -0.756 -8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.683 -1.078 -7.028 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.050 -0.458 -6.688 1.00 0.00 H new ATOM 1313 N HIS A 85 8.559 2.595 -7.285 1.00 0.00 N ATOM 1314 CA HIS A 85 7.613 3.609 -7.730 1.00 0.00 C ATOM 1315 C HIS A 85 8.367 4.789 -8.343 1.00 0.00 C ATOM 1316 O HIS A 85 8.117 5.181 -9.479 1.00 0.00 O ATOM 1317 CB HIS A 85 6.737 4.010 -6.544 1.00 0.00 C ATOM 1318 CG HIS A 85 5.799 5.160 -6.797 1.00 0.00 C ATOM 1319 ND1 HIS A 85 4.451 5.078 -7.086 1.00 0.00 N ATOM 1320 CD2 HIS A 85 6.132 6.486 -6.708 1.00 0.00 C ATOM 1321 CE1 HIS A 85 3.977 6.330 -7.170 1.00 0.00 C ATOM 1322 NE2 HIS A 85 4.968 7.213 -6.956 1.00 0.00 N ATOM 0 H HIS A 85 8.512 2.408 -6.283 1.00 0.00 H new ATOM 0 HA HIS A 85 6.959 3.221 -8.511 1.00 0.00 H new ATOM 0 HB2 HIS A 85 6.150 3.144 -6.238 1.00 0.00 H new ATOM 0 HB3 HIS A 85 7.384 4.268 -5.706 1.00 0.00 H new ATOM 0 HD1 HIS A 85 3.913 4.221 -7.213 1.00 0.00 H new ATOM 0 HD2 HIS A 85 7.109 6.891 -6.488 1.00 0.00 H new ATOM 0 HE1 HIS A 85 2.950 6.591 -7.379 1.00 0.00 H new ATOM 1330 N CYS A 86 9.329 5.348 -7.610 1.00 0.00 N ATOM 1331 CA CYS A 86 10.111 6.462 -8.096 1.00 0.00 C ATOM 1332 C CYS A 86 10.928 6.049 -9.312 1.00 0.00 C ATOM 1333 O CYS A 86 11.064 6.856 -10.220 1.00 0.00 O ATOM 1334 CB CYS A 86 11.028 6.942 -6.980 1.00 0.00 C ATOM 1335 SG CYS A 86 10.020 7.615 -5.627 1.00 0.00 S ATOM 0 H CYS A 86 9.580 5.038 -6.671 1.00 0.00 H new ATOM 0 HA CYS A 86 9.445 7.271 -8.397 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.641 6.117 -6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.710 7.705 -7.356 1.00 0.00 H new ATOM 0 HG CYS A 86 10.797 8.025 -4.669 1.00 0.00 H new ATOM 1341 N ALA A 87 11.471 4.832 -9.349 1.00 0.00 N ATOM 1342 CA ALA A 87 12.282 4.362 -10.460 1.00 0.00 C ATOM 1343 C ALA A 87 11.461 4.152 -11.733 1.00 0.00 C ATOM 1344 O ALA A 87 11.975 4.438 -12.815 1.00 0.00 O ATOM 1345 CB ALA A 87 13.008 3.079 -10.058 1.00 0.00 C ATOM 0 H ALA A 87 11.357 4.145 -8.603 1.00 0.00 H new ATOM 0 HA ALA A 87 13.015 5.135 -10.691 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.616 2.728 -10.892 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.650 3.278 -9.200 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.277 2.315 -9.795 1.00 0.00 H new ATOM 1351 N THR A 88 10.213 3.680 -11.627 1.00 0.00 N ATOM 1352 CA THR A 88 9.378 3.464 -12.809 1.00 0.00 C ATOM 1353 C THR A 88 8.967 4.807 -13.429 1.00 0.00 C ATOM 1354 O THR A 88 8.848 4.897 -14.652 1.00 0.00 O ATOM 1355 CB THR A 88 8.200 2.499 -12.517 1.00 0.00 C ATOM 1356 OG1 THR A 88 7.562 2.118 -13.723 1.00 0.00 O ATOM 1357 CG2 THR A 88 7.105 2.979 -11.554 1.00 0.00 C ATOM 0 H THR A 88 9.764 3.443 -10.742 1.00 0.00 H new ATOM 0 HA THR A 88 9.965 2.950 -13.570 1.00 0.00 H new ATOM 0 HB THR A 88 8.700 1.675 -12.007 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.125 1.249 -13.602 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.349 2.201 -11.446 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.545 3.194 -10.581 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.642 3.883 -11.951 1.00 0.00 H new ATOM 1365 N LEU A 89 8.782 5.843 -12.604 1.00 0.00 N ATOM 1366 CA LEU A 89 8.432 7.187 -13.056 1.00 0.00 C ATOM 1367 C LEU A 89 9.694 7.911 -13.554 1.00 0.00 C ATOM 1368 O LEU A 89 9.767 8.315 -14.715 1.00 0.00 O ATOM 1369 CB LEU A 89 7.710 7.945 -11.918 1.00 0.00 C ATOM 1370 CG LEU A 89 6.379 7.288 -11.477 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.881 7.892 -10.160 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.269 7.425 -12.525 1.00 0.00 C ATOM 0 H LEU A 89 8.873 5.767 -11.591 1.00 0.00 H new ATOM 0 HA LEU A 89 7.740 7.139 -13.897 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.376 8.009 -11.057 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.510 8.966 -12.243 1.00 0.00 H new ATOM 0 HG LEU A 89 6.600 6.228 -11.350 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.945 7.414 -9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.626 7.731 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.717 8.962 -10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.361 6.945 -12.159 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.072 8.481 -12.710 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.583 6.946 -13.453 1.00 0.00 H new ATOM 1384 N GLY A 90 10.719 8.022 -12.702 1.00 0.00 N ATOM 1385 CA GLY A 90 11.966 8.742 -12.948 1.00 0.00 C ATOM 1386 C GLY A 90 12.426 9.620 -11.771 1.00 0.00 C ATOM 1387 O GLY A 90 13.381 10.389 -11.935 1.00 0.00 O ATOM 0 H GLY A 90 10.697 7.590 -11.778 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.750 8.021 -13.178 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.842 9.371 -13.830 1.00 0.00 H new ATOM 1391 N HIS A 91 11.786 9.552 -10.595 1.00 0.00 N ATOM 1392 CA HIS A 91 12.147 10.347 -9.422 1.00 0.00 C ATOM 1393 C HIS A 91 13.229 9.635 -8.604 1.00 0.00 C ATOM 1394 O HIS A 91 13.533 8.460 -8.841 1.00 0.00 O ATOM 1395 CB HIS A 91 10.892 10.629 -8.579 1.00 0.00 C ATOM 1396 CG HIS A 91 10.126 11.824 -9.079 1.00 0.00 C ATOM 1397 ND1 HIS A 91 10.552 13.135 -9.027 1.00 0.00 N ATOM 1398 CD2 HIS A 91 8.923 11.801 -9.729 1.00 0.00 C ATOM 1399 CE1 HIS A 91 9.627 13.883 -9.649 1.00 0.00 C ATOM 1400 NE2 HIS A 91 8.615 13.117 -10.083 1.00 0.00 N ATOM 0 H HIS A 91 10.992 8.933 -10.434 1.00 0.00 H new ATOM 0 HA HIS A 91 12.560 11.302 -9.746 1.00 0.00 H new ATOM 0 HB2 HIS A 91 10.244 9.753 -8.592 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.183 10.795 -7.542 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.322 10.927 -9.931 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.689 14.953 -9.782 1.00 0.00 H new ATOM 0 HE2 HIS A 91 7.781 13.434 -10.577 1.00 0.00 H new ATOM 1408 N CYS A 92 13.801 10.325 -7.611 1.00 0.00 N ATOM 1409 CA CYS A 92 14.780 9.756 -6.685 1.00 0.00 C ATOM 1410 C CYS A 92 14.661 10.193 -5.229 1.00 0.00 C ATOM 1411 O CYS A 92 15.087 9.427 -4.366 1.00 0.00 O ATOM 1412 CB CYS A 92 16.205 10.030 -7.185 1.00 0.00 C ATOM 1413 SG CYS A 92 16.707 8.743 -8.353 1.00 0.00 S ATOM 0 H CYS A 92 13.593 11.307 -7.428 1.00 0.00 H new ATOM 0 HA CYS A 92 14.554 8.690 -6.680 1.00 0.00 H new ATOM 0 HB2 CYS A 92 16.249 11.007 -7.666 1.00 0.00 H new ATOM 0 HB3 CYS A 92 16.896 10.058 -6.343 1.00 0.00 H new ATOM 0 HG CYS A 92 15.652 8.225 -8.908 1.00 0.00 H new ATOM 1419 N CYS A 93 14.138 11.383 -4.950 1.00 0.00 N ATOM 1420 CA CYS A 93 14.075 11.991 -3.613 1.00 0.00 C ATOM 1421 C CYS A 93 13.377 13.348 -3.657 1.00 0.00 C ATOM 1422 O CYS A 93 13.042 13.878 -4.722 1.00 0.00 O ATOM 1423 CB CYS A 93 15.506 12.189 -3.064 1.00 0.00 C ATOM 1424 SG CYS A 93 15.843 10.976 -1.762 1.00 0.00 S ATOM 0 H CYS A 93 13.730 11.977 -5.671 1.00 0.00 H new ATOM 0 HA CYS A 93 13.508 11.322 -2.966 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.232 12.081 -3.870 1.00 0.00 H new ATOM 0 HB3 CYS A 93 15.616 13.199 -2.669 1.00 0.00 H new ATOM 0 HG CYS A 93 17.049 11.150 -1.309 1.00 0.00 H new ATOM 1430 N THR A 94 13.199 13.904 -2.461 1.00 0.00 N ATOM 1431 CA THR A 94 12.587 15.188 -2.206 1.00 0.00 C ATOM 1432 C THR A 94 13.353 15.839 -1.044 1.00 0.00 C ATOM 1433 O THR A 94 14.217 16.685 -1.299 1.00 0.00 O ATOM 1434 CB THR A 94 11.057 14.979 -2.107 1.00 0.00 C ATOM 1435 OG1 THR A 94 10.349 16.191 -1.982 1.00 0.00 O ATOM 1436 CG2 THR A 94 10.608 13.981 -1.032 1.00 0.00 C ATOM 0 H THR A 94 13.497 13.439 -1.603 1.00 0.00 H new ATOM 0 HA THR A 94 12.669 15.929 -3.001 1.00 0.00 H new ATOM 0 HB THR A 94 10.801 14.524 -3.064 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.389 16.004 -1.925 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.521 13.902 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 94 11.044 13.003 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.940 14.327 -0.053 1.00 0.00 H new ATOM 1444 N SER A 95 13.166 15.392 0.200 1.00 0.00 N ATOM 1445 CA SER A 95 13.802 15.950 1.392 1.00 0.00 C ATOM 1446 C SER A 95 13.813 14.912 2.522 1.00 0.00 C ATOM 1447 O SER A 95 13.318 13.806 2.335 1.00 0.00 O ATOM 1448 CB SER A 95 13.051 17.235 1.792 1.00 0.00 C ATOM 1449 OG SER A 95 11.642 17.164 1.607 1.00 0.00 O ATOM 0 H SER A 95 12.549 14.608 0.410 1.00 0.00 H new ATOM 0 HA SER A 95 14.842 16.205 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.259 17.454 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.442 18.069 1.209 1.00 0.00 H new ATOM 0 HG SER A 95 11.233 18.011 1.882 1.00 0.00 H new ATOM 1455 N LYS A 96 14.333 15.260 3.710 1.00 0.00 N ATOM 1456 CA LYS A 96 14.001 14.612 4.994 1.00 0.00 C ATOM 1457 C LYS A 96 14.458 13.151 5.103 1.00 0.00 C ATOM 1458 O LYS A 96 14.048 12.444 6.021 1.00 0.00 O ATOM 1459 CB LYS A 96 12.489 14.806 5.235 1.00 0.00 C ATOM 1460 CG LYS A 96 11.941 14.519 6.646 1.00 0.00 C ATOM 1461 CD LYS A 96 10.520 15.089 6.689 1.00 0.00 C ATOM 1462 CE LYS A 96 9.716 14.643 7.904 1.00 0.00 C ATOM 1463 NZ LYS A 96 8.269 14.667 7.592 1.00 0.00 N ATOM 0 H LYS A 96 15.011 16.016 3.809 1.00 0.00 H new ATOM 0 HA LYS A 96 14.568 15.092 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.240 15.837 4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.954 14.168 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.935 13.448 6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.568 14.984 7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.575 16.178 6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.991 14.789 5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.016 13.638 8.199 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.925 15.299 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.729 14.361 8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.986 15.633 7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.074 14.023 6.799 1.00 0.00 H new ATOM 1477 N MET A 97 15.381 12.721 4.245 1.00 0.00 N ATOM 1478 CA MET A 97 15.624 11.342 3.859 1.00 0.00 C ATOM 1479 C MET A 97 14.302 10.746 3.382 1.00 0.00 C ATOM 1480 O MET A 97 13.568 10.146 4.161 1.00 0.00 O ATOM 1481 CB MET A 97 16.325 10.570 4.981 1.00 0.00 C ATOM 1482 CG MET A 97 16.927 9.238 4.516 1.00 0.00 C ATOM 1483 SD MET A 97 15.800 7.917 3.988 1.00 0.00 S ATOM 1484 CE MET A 97 14.814 7.572 5.478 1.00 0.00 C ATOM 0 H MET A 97 16.014 13.368 3.776 1.00 0.00 H new ATOM 0 HA MET A 97 16.323 11.275 3.026 1.00 0.00 H new ATOM 0 HB2 MET A 97 17.116 11.191 5.401 1.00 0.00 H new ATOM 0 HB3 MET A 97 15.611 10.378 5.782 1.00 0.00 H new ATOM 0 HG2 MET A 97 17.601 9.450 3.686 1.00 0.00 H new ATOM 0 HG3 MET A 97 17.537 8.848 5.330 1.00 0.00 H new ATOM 0 HE1 MET A 97 14.868 6.509 5.712 1.00 0.00 H new ATOM 0 HE2 MET A 97 15.207 8.148 6.316 1.00 0.00 H new ATOM 0 HE3 MET A 97 13.776 7.853 5.300 1.00 0.00 H new ATOM 1494 N HIS A 98 14.024 10.932 2.090 1.00 0.00 N ATOM 1495 CA HIS A 98 12.796 10.580 1.390 1.00 0.00 C ATOM 1496 C HIS A 98 11.530 11.051 2.130 1.00 0.00 C ATOM 1497 O HIS A 98 10.967 12.107 1.830 1.00 0.00 O ATOM 1498 CB HIS A 98 12.762 9.064 1.174 1.00 0.00 C ATOM 1499 CG HIS A 98 13.615 8.531 0.062 1.00 0.00 C ATOM 1500 ND1 HIS A 98 14.959 8.252 0.085 1.00 0.00 N ATOM 1501 CD2 HIS A 98 13.118 8.088 -1.127 1.00 0.00 C ATOM 1502 CE1 HIS A 98 15.266 7.669 -1.085 1.00 0.00 C ATOM 1503 NE2 HIS A 98 14.175 7.529 -1.861 1.00 0.00 N ATOM 0 H HIS A 98 14.703 11.364 1.464 1.00 0.00 H new ATOM 0 HA HIS A 98 12.797 11.097 0.431 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.067 8.580 2.101 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.730 8.769 0.985 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.089 8.155 -1.448 1.00 0.00 H new ATOM 0 HE1 HIS A 98 16.260 7.353 -1.367 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.127 7.106 -2.788 1.00 0.00 H new ATOM 1511 N LEU A 99 11.060 10.217 3.061 1.00 0.00 N ATOM 1512 CA LEU A 99 9.722 10.182 3.624 1.00 0.00 C ATOM 1513 C LEU A 99 9.876 9.711 5.063 1.00 0.00 C ATOM 1514 O LEU A 99 10.532 8.698 5.326 1.00 0.00 O ATOM 1515 CB LEU A 99 8.839 9.214 2.808 1.00 0.00 C ATOM 1516 CG LEU A 99 8.749 9.532 1.296 1.00 0.00 C ATOM 1517 CD1 LEU A 99 8.100 8.368 0.557 1.00 0.00 C ATOM 1518 CD2 LEU A 99 7.960 10.820 1.042 1.00 0.00 C ATOM 0 H LEU A 99 11.657 9.496 3.467 1.00 0.00 H new ATOM 0 HA LEU A 99 9.240 11.159 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.226 8.202 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.833 9.223 3.227 1.00 0.00 H new ATOM 0 HG LEU A 99 9.762 9.679 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.040 8.600 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.698 7.468 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.096 8.202 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.916 11.014 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.948 10.710 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.454 11.654 1.542 1.00 0.00 H new ATOM 1530 N HIS A 100 9.293 10.450 6.003 1.00 0.00 N ATOM 1531 CA HIS A 100 9.422 10.144 7.423 1.00 0.00 C ATOM 1532 C HIS A 100 8.725 8.823 7.747 1.00 0.00 C ATOM 1533 O HIS A 100 9.273 7.974 8.454 1.00 0.00 O ATOM 1534 CB HIS A 100 8.801 11.294 8.214 1.00 0.00 C ATOM 1535 CG HIS A 100 9.365 11.554 9.586 1.00 0.00 C ATOM 1536 ND1 HIS A 100 10.658 11.878 9.900 1.00 0.00 N flip ATOM 1537 CD2 HIS A 100 8.619 11.673 10.731 1.00 0.00 C flip ATOM 1538 CE1 HIS A 100 10.699 12.202 11.263 1.00 0.00 C flip ATOM 1539 NE2 HIS A 100 9.445 12.034 11.726 1.00 0.00 N flip ATOM 0 H HIS A 100 8.722 11.271 5.803 1.00 0.00 H new ATOM 0 HA HIS A 100 10.473 10.035 7.692 1.00 0.00 H new ATOM 0 HB2 HIS A 100 8.903 12.206 7.626 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.733 11.099 8.316 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.555 11.506 10.817 1.00 0.00 H new ATOM 0 HE1 HIS A 100 11.562 12.522 11.828 1.00 0.00 H new ATOM 0 HE2 HIS A 100 9.162 12.163 12.698 1.00 0.00 H new ATOM 1547 N SER A 101 7.506 8.683 7.226 1.00 0.00 N ATOM 1548 CA SER A 101 6.577 7.606 7.538 1.00 0.00 C ATOM 1549 C SER A 101 5.614 7.373 6.359 1.00 0.00 C ATOM 1550 O SER A 101 5.581 8.167 5.415 1.00 0.00 O ATOM 1551 CB SER A 101 5.793 7.948 8.819 1.00 0.00 C ATOM 1552 OG SER A 101 6.633 8.015 9.959 1.00 0.00 O ATOM 0 H SER A 101 7.127 9.345 6.549 1.00 0.00 H new ATOM 0 HA SER A 101 7.139 6.688 7.706 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.285 8.903 8.688 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.021 7.196 8.982 1.00 0.00 H new ATOM 0 HG SER A 101 6.096 8.236 10.748 1.00 0.00 H new ATOM 1558 N VAL A 102 4.776 6.333 6.441 1.00 0.00 N ATOM 1559 CA VAL A 102 3.698 6.001 5.510 1.00 0.00 C ATOM 1560 C VAL A 102 2.825 7.241 5.274 1.00 0.00 C ATOM 1561 O VAL A 102 2.431 7.528 4.144 1.00 0.00 O ATOM 1562 CB VAL A 102 2.879 4.808 6.074 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.808 4.322 5.081 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.783 3.622 6.488 1.00 0.00 C ATOM 0 H VAL A 102 4.839 5.662 7.206 1.00 0.00 H new ATOM 0 HA VAL A 102 4.107 5.697 4.546 1.00 0.00 H new ATOM 0 HB VAL A 102 2.379 5.186 6.966 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.260 3.487 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.117 5.136 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.288 3.998 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.165 2.812 6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.341 3.269 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.481 3.948 7.259 1.00 0.00 H new ATOM 1574 N MET A 103 2.570 8.009 6.333 1.00 0.00 N ATOM 1575 CA MET A 103 1.801 9.241 6.282 1.00 0.00 C ATOM 1576 C MET A 103 2.370 10.271 5.308 1.00 0.00 C ATOM 1577 O MET A 103 1.607 10.963 4.625 1.00 0.00 O ATOM 1578 CB MET A 103 1.785 9.815 7.704 1.00 0.00 C ATOM 1579 CG MET A 103 0.849 11.011 7.835 1.00 0.00 C ATOM 1580 SD MET A 103 -0.870 10.744 7.302 1.00 0.00 S ATOM 1581 CE MET A 103 -1.256 9.110 7.997 1.00 0.00 C ATOM 0 H MET A 103 2.903 7.782 7.270 1.00 0.00 H new ATOM 0 HA MET A 103 0.799 9.015 5.917 1.00 0.00 H new ATOM 0 HB2 MET A 103 1.478 9.038 8.404 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.795 10.115 7.984 1.00 0.00 H new ATOM 0 HG2 MET A 103 0.840 11.327 8.878 1.00 0.00 H new ATOM 0 HG3 MET A 103 1.264 11.836 7.256 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.300 8.868 7.800 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.616 8.358 7.536 1.00 0.00 H new ATOM 0 HE3 MET A 103 -1.083 9.122 9.073 1.00 0.00 H new ATOM 1591 N ASP A 104 3.697 10.403 5.259 1.00 0.00 N ATOM 1592 CA ASP A 104 4.348 11.318 4.322 1.00 0.00 C ATOM 1593 C ASP A 104 4.180 10.758 2.912 1.00 0.00 C ATOM 1594 O ASP A 104 3.919 11.503 1.968 1.00 0.00 O ATOM 1595 CB ASP A 104 5.861 11.467 4.593 1.00 0.00 C ATOM 1596 CG ASP A 104 6.255 12.549 5.593 1.00 0.00 C ATOM 1597 OD1 ASP A 104 5.379 13.170 6.239 1.00 0.00 O ATOM 1598 OD2 ASP A 104 7.478 12.738 5.785 1.00 0.00 O ATOM 0 H ASP A 104 4.341 9.887 5.858 1.00 0.00 H new ATOM 0 HA ASP A 104 3.884 12.297 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.242 10.511 4.952 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.361 11.674 3.647 1.00 0.00 H new ATOM 1603 N ALA A 105 4.354 9.439 2.776 1.00 0.00 N ATOM 1604 CA ALA A 105 4.397 8.736 1.507 1.00 0.00 C ATOM 1605 C ALA A 105 3.085 8.844 0.739 1.00 0.00 C ATOM 1606 O ALA A 105 3.111 9.097 -0.461 1.00 0.00 O ATOM 1607 CB ALA A 105 4.750 7.265 1.754 1.00 0.00 C ATOM 0 H ALA A 105 4.472 8.819 3.577 1.00 0.00 H new ATOM 0 HA ALA A 105 5.163 9.205 0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.783 6.734 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.724 7.201 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.994 6.812 2.396 1.00 0.00 H new ATOM 1613 N ILE A 106 1.948 8.646 1.407 1.00 0.00 N ATOM 1614 CA ILE A 106 0.637 8.720 0.765 1.00 0.00 C ATOM 1615 C ILE A 106 0.473 10.106 0.135 1.00 0.00 C ATOM 1616 O ILE A 106 0.011 10.212 -1.002 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.447 8.445 1.828 1.00 0.00 C ATOM 1618 CG1 ILE A 106 -0.388 7.000 2.353 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -1.879 8.803 1.397 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.986 5.918 1.463 1.00 0.00 C ATOM 0 H ILE A 106 1.910 8.431 2.403 1.00 0.00 H new ATOM 0 HA ILE A 106 0.541 7.975 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.201 9.128 2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.656 6.749 2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.898 6.968 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.571 8.575 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.933 9.866 1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.150 8.222 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.880 4.948 1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.043 6.127 1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.464 5.904 0.506 1.00 0.00 H new ATOM 1632 N ASP A 107 0.863 11.151 0.872 1.00 0.00 N ATOM 1633 CA ASP A 107 0.752 12.541 0.445 1.00 0.00 C ATOM 1634 C ASP A 107 1.684 12.812 -0.735 1.00 0.00 C ATOM 1635 O ASP A 107 1.257 13.373 -1.742 1.00 0.00 O ATOM 1636 CB ASP A 107 1.066 13.465 1.621 1.00 0.00 C ATOM 1637 CG ASP A 107 0.449 14.850 1.425 1.00 0.00 C ATOM 1638 OD1 ASP A 107 0.815 15.563 0.464 1.00 0.00 O ATOM 1639 OD2 ASP A 107 -0.407 15.228 2.256 1.00 0.00 O ATOM 0 H ASP A 107 1.272 11.047 1.800 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.268 12.737 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.687 13.024 2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.146 13.559 1.733 1.00 0.00 H new ATOM 1644 N PHE A 108 2.934 12.352 -0.622 1.00 0.00 N ATOM 1645 CA PHE A 108 3.971 12.451 -1.647 1.00 0.00 C ATOM 1646 C PHE A 108 3.462 11.869 -2.966 1.00 0.00 C ATOM 1647 O PHE A 108 3.354 12.604 -3.942 1.00 0.00 O ATOM 1648 CB PHE A 108 5.257 11.756 -1.164 1.00 0.00 C ATOM 1649 CG PHE A 108 6.404 11.687 -2.163 1.00 0.00 C ATOM 1650 CD1 PHE A 108 6.923 12.859 -2.746 1.00 0.00 C ATOM 1651 CD2 PHE A 108 6.985 10.442 -2.483 1.00 0.00 C ATOM 1652 CE1 PHE A 108 7.993 12.776 -3.656 1.00 0.00 C ATOM 1653 CE2 PHE A 108 8.062 10.362 -3.382 1.00 0.00 C ATOM 1654 CZ PHE A 108 8.563 11.532 -3.977 1.00 0.00 C ATOM 0 H PHE A 108 3.262 11.882 0.222 1.00 0.00 H new ATOM 0 HA PHE A 108 4.212 13.499 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.611 12.273 -0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 108 5.004 10.739 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.500 13.821 -2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 108 6.598 9.540 -2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.380 13.676 -4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.503 9.404 -3.615 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.383 11.476 -4.678 1.00 0.00 H new ATOM 1664 N LEU A 109 3.117 10.576 -2.994 1.00 0.00 N ATOM 1665 CA LEU A 109 2.539 9.891 -4.133 1.00 0.00 C ATOM 1666 C LEU A 109 1.347 10.636 -4.713 1.00 0.00 C ATOM 1667 O LEU A 109 1.286 10.806 -5.932 1.00 0.00 O ATOM 1668 CB LEU A 109 2.128 8.473 -3.708 1.00 0.00 C ATOM 1669 CG LEU A 109 3.308 7.500 -3.806 1.00 0.00 C ATOM 1670 CD1 LEU A 109 4.379 7.531 -2.718 1.00 0.00 C ATOM 1671 CD2 LEU A 109 2.776 6.071 -3.894 1.00 0.00 C ATOM 0 H LEU A 109 3.242 9.964 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 109 3.292 9.845 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.753 8.492 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.312 8.123 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 109 3.826 7.849 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.141 6.783 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.839 8.519 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.923 7.314 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.612 5.375 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.190 5.846 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.146 5.971 -4.778 1.00 0.00 H new ATOM 1683 N ASN A 110 0.423 11.085 -3.864 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.750 11.811 -4.336 1.00 0.00 C ATOM 1685 C ASN A 110 -0.364 13.120 -5.014 1.00 0.00 C ATOM 1686 O ASN A 110 -1.005 13.517 -5.987 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.716 12.107 -3.182 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.806 11.058 -3.082 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.829 11.156 -3.756 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -2.614 10.038 -2.263 1.00 0.00 N ATOM 0 H ASN A 110 0.465 10.959 -2.853 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.245 11.170 -5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.162 12.147 -2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.167 13.088 -3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.324 9.310 -2.180 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.756 9.979 -1.714 1.00 0.00 H new ATOM 1697 N ALA A 111 0.662 13.803 -4.508 1.00 0.00 N ATOM 1698 CA ALA A 111 1.124 15.051 -5.083 1.00 0.00 C ATOM 1699 C ALA A 111 1.903 14.819 -6.381 1.00 0.00 C ATOM 1700 O ALA A 111 1.951 15.728 -7.208 1.00 0.00 O ATOM 1701 CB ALA A 111 1.985 15.806 -4.071 1.00 0.00 C ATOM 0 H ALA A 111 1.191 13.502 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 111 0.249 15.653 -5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.328 16.742 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 111 1.396 16.019 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 111 2.847 15.196 -3.800 1.00 0.00 H new ATOM 1707 N LEU A 112 2.522 13.643 -6.562 1.00 0.00 N ATOM 1708 CA LEU A 112 3.343 13.320 -7.731 1.00 0.00 C ATOM 1709 C LEU A 112 2.465 13.326 -8.985 1.00 0.00 C ATOM 1710 O LEU A 112 2.679 14.134 -9.887 1.00 0.00 O ATOM 1711 CB LEU A 112 4.065 11.962 -7.556 1.00 0.00 C ATOM 1712 CG LEU A 112 5.322 11.954 -6.662 1.00 0.00 C ATOM 1713 CD1 LEU A 112 5.883 10.529 -6.581 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.429 12.874 -7.175 1.00 0.00 C ATOM 0 H LEU A 112 2.463 12.880 -5.888 1.00 0.00 H new ATOM 0 HA LEU A 112 4.119 14.078 -7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.351 11.248 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.348 11.598 -8.544 1.00 0.00 H new ATOM 0 HG LEU A 112 5.010 12.319 -5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.771 10.523 -5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.130 9.865 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.147 10.184 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.285 12.823 -6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.732 12.557 -8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.060 13.899 -7.216 1.00 0.00 H new ATOM 1726 N GLU A 113 1.457 12.452 -9.009 1.00 0.00 N ATOM 1727 CA GLU A 113 0.435 12.286 -10.044 1.00 0.00 C ATOM 1728 C GLU A 113 0.933 12.182 -11.499 1.00 0.00 C ATOM 1729 O GLU A 113 0.158 12.393 -12.435 1.00 0.00 O ATOM 1730 CB GLU A 113 -0.633 13.373 -9.872 1.00 0.00 C ATOM 1731 CG GLU A 113 -2.042 12.865 -10.233 1.00 0.00 C ATOM 1732 CD GLU A 113 -2.889 13.879 -11.009 1.00 0.00 C ATOM 1733 OE1 GLU A 113 -2.879 15.090 -10.680 1.00 0.00 O ATOM 1734 OE2 GLU A 113 -3.569 13.486 -11.984 1.00 0.00 O ATOM 0 H GLU A 113 1.324 11.790 -8.245 1.00 0.00 H new ATOM 0 HA GLU A 113 0.009 11.296 -9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.628 13.725 -8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -0.384 14.228 -10.501 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.948 11.955 -10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.566 12.595 -9.316 1.00 0.00 H new ATOM 1741 N GLY A 114 2.197 11.818 -11.709 1.00 0.00 N ATOM 1742 CA GLY A 114 2.734 11.458 -13.009 1.00 0.00 C ATOM 1743 C GLY A 114 3.371 12.642 -13.695 1.00 0.00 C ATOM 1744 O GLY A 114 4.420 13.119 -13.215 1.00 0.00 O ATOM 0 H GLY A 114 2.887 11.766 -10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.472 10.665 -12.891 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.936 11.060 -13.635 1.00 0.00 H new TER 1748 GLY A 114