USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 696 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 365 SEP H2 : B 365 SEP N : B 364 ILE C :(H bumps) USER MOD NoAdj-H: B 367 SEP H2 : B 367 SEP N : B 366 ASP C :(H bumps) USER MOD Set 1.1: A 57 GLN : amide:sc= 0.742 K(o=1.2,f=-1.2) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.466 K(o=1.2,f=-2.2!) USER MOD Set 2.1: A 37 HIS : no HE2:sc= -0.93 K(o=-1,f=-5.4!) USER MOD Set 2.2: A 38 THR OG1 : rot -89:sc= -0.116 USER MOD Set 3.1: A 28 SER OG : rot -98:sc= 2.26 USER MOD Set 3.2: A 47 TYR OH : rot -148:sc= 2.07 USER MOD Set 3.3: A 51 GLN : amide:sc= 2.01 K(o=6.3,f=2.3) USER MOD Set 4.1: A 19 ASN : amide:sc= 0.776 K(o=0.86,f=-0.37) USER MOD Set 4.2: A 31 GLN : amide:sc= 0.0876 K(o=0.86,f=0.33) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.1) USER MOD Single : A 25 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.46) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 0.971 (180deg=0.879) USER MOD Single : A 41 SER OG : rot -129:sc= 1.4 USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= 2.3 (180deg=1.96) USER MOD Single : A 44 MET CE :methyl -174:sc=-0.00848 (180deg=-0.0546) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot -33:sc= -0.408 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00662 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 68 ASN : amide:sc= -0.0921 X(o=-0.092,f=-0.56) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0748 USER MOD Single : A 75 GLN : amide:sc= -0.0251 K(o=-0.025,f=-0.88) USER MOD Single : A 78 MET CE :methyl -114:sc= -0.999 (180deg=-2.74) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0756 K(o=-0.076,f=-0.7) USER MOD Single : A 90 GLN : amide:sc= -0.189 K(o=-0.19,f=-4!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.129 USER MOD Single : B 357 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 358 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -4.845 22.791 6.554 1.00 10.00 N ATOM 2 CA ASP A 16 -5.875 22.208 5.660 1.00 10.00 C ATOM 3 C ASP A 16 -5.686 20.707 5.543 1.00 10.00 C ATOM 4 O ASP A 16 -4.634 20.238 5.101 1.00 10.00 O ATOM 5 CB ASP A 16 -5.812 22.848 4.274 1.00 10.00 C ATOM 6 CG ASP A 16 -6.635 24.113 4.192 1.00 10.00 C ATOM 7 OD1 ASP A 16 -7.670 24.110 3.500 1.00 10.00 O ATOM 8 OD2 ASP A 16 -6.258 25.116 4.835 1.00 10.00 O ATOM 0 HA ASP A 16 -6.854 22.410 6.094 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -4.775 23.075 4.027 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -6.169 22.136 3.530 1.00 10.00 H new ATOM 13 N HIS A 17 -6.699 19.954 5.946 1.00 10.00 N ATOM 14 CA HIS A 17 -6.642 18.501 5.884 1.00 10.00 C ATOM 15 C HIS A 17 -7.532 17.982 4.764 1.00 10.00 C ATOM 16 O HIS A 17 -8.712 18.330 4.684 1.00 10.00 O ATOM 17 CB HIS A 17 -7.068 17.883 7.218 1.00 10.00 C ATOM 18 CG HIS A 17 -5.982 17.866 8.248 1.00 10.00 C ATOM 19 ND1 HIS A 17 -6.082 18.595 9.409 1.00 10.00 N ATOM 20 CD2 HIS A 17 -4.809 17.189 8.250 1.00 10.00 C ATOM 21 CE1 HIS A 17 -4.978 18.340 10.091 1.00 10.00 C ATOM 22 NE2 HIS A 17 -4.177 17.496 9.427 1.00 10.00 N ATOM 0 H HIS A 17 -7.572 20.326 6.320 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.611 18.211 5.680 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.920 18.439 7.610 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.407 16.862 7.043 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -4.442 16.534 7.474 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -4.751 18.759 11.060 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -3.270 17.148 9.738 1.00 10.00 H new ATOM 30 N ILE A 18 -6.963 17.151 3.909 1.00 10.00 N ATOM 31 CA ILE A 18 -7.697 16.584 2.794 1.00 10.00 C ATOM 32 C ILE A 18 -8.034 15.124 3.088 1.00 10.00 C ATOM 33 O ILE A 18 -7.221 14.394 3.659 1.00 10.00 O ATOM 34 CB ILE A 18 -6.890 16.709 1.476 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.735 16.288 0.273 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.609 15.887 1.540 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.075 16.583 -1.058 1.00 10.00 C ATOM 0 H ILE A 18 -5.989 16.853 3.967 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.625 17.142 2.666 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.618 17.757 1.353 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.941 15.220 0.339 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.696 16.801 0.316 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.062 15.992 0.603 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.990 16.242 2.364 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.858 14.838 1.699 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.729 16.259 -1.868 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -6.893 17.654 -1.145 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.127 16.048 -1.121 1.00 10.00 H new ATOM 49 N ASN A 19 -9.239 14.713 2.726 1.00 10.00 N ATOM 50 CA ASN A 19 -9.682 13.347 2.968 1.00 10.00 C ATOM 51 C ASN A 19 -9.574 12.513 1.705 1.00 10.00 C ATOM 52 O ASN A 19 -10.407 12.619 0.805 1.00 10.00 O ATOM 53 CB ASN A 19 -11.134 13.334 3.466 1.00 10.00 C ATOM 54 CG ASN A 19 -11.329 14.160 4.718 1.00 10.00 C ATOM 55 OD1 ASN A 19 -11.282 13.643 5.837 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.554 15.453 4.537 1.00 10.00 N ATOM 0 H ASN A 19 -9.929 15.305 2.263 1.00 10.00 H new ATOM 0 HA ASN A 19 -9.035 12.916 3.732 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.787 13.714 2.680 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -11.437 12.306 3.663 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.697 16.063 5.342 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.584 15.838 3.593 1.00 10.00 H new ATOM 63 N LEU A 20 -8.541 11.695 1.627 1.00 10.00 N ATOM 64 CA LEU A 20 -8.344 10.841 0.469 1.00 10.00 C ATOM 65 C LEU A 20 -8.869 9.446 0.762 1.00 10.00 C ATOM 66 O LEU A 20 -8.521 8.843 1.779 1.00 10.00 O ATOM 67 CB LEU A 20 -6.864 10.800 0.083 1.00 10.00 C ATOM 68 CG LEU A 20 -6.292 12.135 -0.407 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.818 11.996 -0.742 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.063 12.631 -1.620 1.00 10.00 C ATOM 0 H LEU A 20 -7.827 11.603 2.349 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.900 11.249 -0.375 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -6.287 10.468 0.946 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.727 10.053 -0.699 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.396 12.866 0.395 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.431 12.955 -1.088 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -4.271 11.684 0.147 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.692 11.250 -1.526 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.644 13.580 -1.955 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -6.989 11.898 -2.423 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.110 12.771 -1.353 1.00 10.00 H new ATOM 82 N LYS A 21 -9.723 8.942 -0.114 1.00 10.00 N ATOM 83 CA LYS A 21 -10.304 7.623 0.073 1.00 10.00 C ATOM 84 C LYS A 21 -9.571 6.574 -0.748 1.00 10.00 C ATOM 85 O LYS A 21 -9.686 6.526 -1.973 1.00 10.00 O ATOM 86 CB LYS A 21 -11.791 7.636 -0.292 1.00 10.00 C ATOM 87 CG LYS A 21 -12.606 8.584 0.566 1.00 10.00 C ATOM 88 CD LYS A 21 -14.081 8.533 0.208 1.00 10.00 C ATOM 89 CE LYS A 21 -14.844 9.673 0.859 1.00 10.00 C ATOM 90 NZ LYS A 21 -16.252 9.732 0.395 1.00 10.00 N ATOM 0 H LYS A 21 -10.028 9.425 -0.959 1.00 10.00 H new ATOM 0 HA LYS A 21 -10.200 7.361 1.126 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.899 7.919 -1.339 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -12.193 6.628 -0.191 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -12.477 8.327 1.617 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -12.235 9.601 0.439 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -14.197 8.586 -0.875 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -14.503 7.580 0.528 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -14.823 9.552 1.942 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -14.348 10.617 0.634 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -16.654 10.664 0.623 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -16.285 9.583 -0.634 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -16.805 8.990 0.870 1.00 10.00 H new ATOM 104 N VAL A 22 -8.808 5.749 -0.060 1.00 10.00 N ATOM 105 CA VAL A 22 -8.065 4.681 -0.699 1.00 10.00 C ATOM 106 C VAL A 22 -8.857 3.389 -0.573 1.00 10.00 C ATOM 107 O VAL A 22 -9.089 2.905 0.532 1.00 10.00 O ATOM 108 CB VAL A 22 -6.671 4.510 -0.060 1.00 10.00 C ATOM 109 CG1 VAL A 22 -5.917 3.356 -0.696 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.873 5.798 -0.174 1.00 10.00 C ATOM 0 H VAL A 22 -8.686 5.799 0.951 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.919 4.932 -1.750 1.00 10.00 H new ATOM 0 HB VAL A 22 -6.809 4.279 0.996 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -4.938 3.258 -0.227 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -6.480 2.433 -0.557 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.791 3.547 -1.762 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.892 5.660 0.282 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.751 6.059 -1.225 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -6.402 6.601 0.340 1.00 10.00 H new ATOM 120 N ALA A 23 -9.289 2.847 -1.697 1.00 10.00 N ATOM 121 CA ALA A 23 -10.076 1.627 -1.692 1.00 10.00 C ATOM 122 C ALA A 23 -9.240 0.432 -2.121 1.00 10.00 C ATOM 123 O ALA A 23 -8.919 0.275 -3.300 1.00 10.00 O ATOM 124 CB ALA A 23 -11.289 1.778 -2.595 1.00 10.00 C ATOM 0 H ALA A 23 -9.109 3.232 -2.624 1.00 10.00 H new ATOM 0 HA ALA A 23 -10.417 1.449 -0.672 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -11.870 0.856 -2.581 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.908 2.602 -2.239 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -10.961 1.985 -3.614 1.00 10.00 H new ATOM 130 N GLY A 24 -8.879 -0.399 -1.157 1.00 10.00 N ATOM 131 CA GLY A 24 -8.092 -1.578 -1.455 1.00 10.00 C ATOM 132 C GLY A 24 -8.919 -2.653 -2.133 1.00 10.00 C ATOM 133 O GLY A 24 -10.149 -2.644 -2.041 1.00 10.00 O ATOM 0 H GLY A 24 -9.117 -0.279 -0.172 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -7.256 -1.303 -2.098 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -7.668 -1.974 -0.532 1.00 10.00 H new ATOM 137 N GLN A 25 -8.251 -3.591 -2.796 1.00 10.00 N ATOM 138 CA GLN A 25 -8.939 -4.678 -3.496 1.00 10.00 C ATOM 139 C GLN A 25 -9.722 -5.567 -2.529 1.00 10.00 C ATOM 140 O GLN A 25 -10.601 -6.324 -2.941 1.00 10.00 O ATOM 141 CB GLN A 25 -7.936 -5.529 -4.280 1.00 10.00 C ATOM 142 CG GLN A 25 -7.477 -4.896 -5.584 1.00 10.00 C ATOM 143 CD GLN A 25 -8.634 -4.485 -6.476 1.00 10.00 C ATOM 144 OE1 GLN A 25 -9.230 -5.318 -7.159 1.00 10.00 O ATOM 145 NE2 GLN A 25 -8.941 -3.197 -6.501 1.00 10.00 N ATOM 0 H GLN A 25 -7.234 -3.623 -2.865 1.00 10.00 H new ATOM 0 HA GLN A 25 -9.647 -4.222 -4.188 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -7.065 -5.717 -3.652 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -8.387 -6.497 -4.497 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -6.866 -4.021 -5.363 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -6.842 -5.601 -6.121 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -8.423 -2.538 -5.920 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -9.695 -2.864 -7.101 1.00 10.00 H new ATOM 154 N ASP A 26 -9.408 -5.466 -1.247 1.00 10.00 N ATOM 155 CA ASP A 26 -10.082 -6.254 -0.223 1.00 10.00 C ATOM 156 C ASP A 26 -11.314 -5.524 0.304 1.00 10.00 C ATOM 157 O ASP A 26 -12.096 -6.078 1.078 1.00 10.00 O ATOM 158 CB ASP A 26 -9.123 -6.581 0.930 1.00 10.00 C ATOM 159 CG ASP A 26 -8.547 -5.350 1.610 1.00 10.00 C ATOM 160 OD1 ASP A 26 -8.628 -4.244 1.035 1.00 10.00 O ATOM 161 OD2 ASP A 26 -7.999 -5.493 2.724 1.00 10.00 O ATOM 0 H ASP A 26 -8.686 -4.842 -0.888 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.407 -7.189 -0.680 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -9.650 -7.182 1.671 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -8.305 -7.192 0.549 1.00 10.00 H new ATOM 166 N GLY A 27 -11.489 -4.281 -0.126 1.00 10.00 N ATOM 167 CA GLY A 27 -12.634 -3.498 0.301 1.00 10.00 C ATOM 168 C GLY A 27 -12.357 -2.694 1.552 1.00 10.00 C ATOM 169 O GLY A 27 -13.268 -2.427 2.340 1.00 10.00 O ATOM 0 H GLY A 27 -10.857 -3.799 -0.765 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -12.927 -2.823 -0.503 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -13.478 -4.164 0.481 1.00 10.00 H new ATOM 173 N SER A 28 -11.104 -2.314 1.743 1.00 10.00 N ATOM 174 CA SER A 28 -10.719 -1.525 2.903 1.00 10.00 C ATOM 175 C SER A 28 -11.084 -0.062 2.707 1.00 10.00 C ATOM 176 O SER A 28 -10.610 0.585 1.770 1.00 10.00 O ATOM 177 CB SER A 28 -9.215 -1.648 3.150 1.00 10.00 C ATOM 178 OG SER A 28 -8.514 -1.847 1.931 1.00 10.00 O ATOM 0 H SER A 28 -10.336 -2.539 1.110 1.00 10.00 H new ATOM 0 HA SER A 28 -11.260 -1.909 3.768 1.00 10.00 H new ATOM 0 HB2 SER A 28 -8.849 -0.747 3.641 1.00 10.00 H new ATOM 0 HB3 SER A 28 -9.021 -2.481 3.826 1.00 10.00 H new ATOM 0 HG SER A 28 -8.325 -2.801 1.814 1.00 10.00 H new ATOM 184 N VAL A 29 -11.949 0.448 3.567 1.00 10.00 N ATOM 185 CA VAL A 29 -12.351 1.842 3.507 1.00 10.00 C ATOM 186 C VAL A 29 -11.533 2.640 4.514 1.00 10.00 C ATOM 187 O VAL A 29 -11.833 2.650 5.711 1.00 10.00 O ATOM 188 CB VAL A 29 -13.860 2.012 3.790 1.00 10.00 C ATOM 189 CG1 VAL A 29 -14.258 3.482 3.793 1.00 10.00 C ATOM 190 CG2 VAL A 29 -14.681 1.239 2.771 1.00 10.00 C ATOM 0 H VAL A 29 -12.388 -0.085 4.318 1.00 10.00 H new ATOM 0 HA VAL A 29 -12.165 2.213 2.499 1.00 10.00 H new ATOM 0 HB VAL A 29 -14.064 1.608 4.782 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -15.326 3.569 3.995 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -13.698 4.009 4.566 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -14.035 3.921 2.821 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -15.742 1.369 2.984 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -14.464 1.612 1.770 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -14.427 0.180 2.827 1.00 10.00 H new ATOM 200 N VAL A 30 -10.473 3.271 4.037 1.00 10.00 N ATOM 201 CA VAL A 30 -9.608 4.056 4.900 1.00 10.00 C ATOM 202 C VAL A 30 -9.830 5.550 4.723 1.00 10.00 C ATOM 203 O VAL A 30 -10.035 6.035 3.610 1.00 10.00 O ATOM 204 CB VAL A 30 -8.112 3.756 4.649 1.00 10.00 C ATOM 205 CG1 VAL A 30 -7.749 2.360 5.117 1.00 10.00 C ATOM 206 CG2 VAL A 30 -7.752 3.936 3.181 1.00 10.00 C ATOM 0 H VAL A 30 -10.191 3.255 3.057 1.00 10.00 H new ATOM 0 HA VAL A 30 -9.871 3.767 5.917 1.00 10.00 H new ATOM 0 HB VAL A 30 -7.533 4.473 5.231 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -6.691 2.176 4.928 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -7.948 2.271 6.185 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -8.347 1.627 4.575 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.694 3.718 3.036 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -8.349 3.255 2.574 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.955 4.964 2.880 1.00 10.00 H new ATOM 216 N GLN A 31 -9.793 6.273 5.832 1.00 10.00 N ATOM 217 CA GLN A 31 -9.946 7.717 5.805 1.00 10.00 C ATOM 218 C GLN A 31 -8.577 8.352 5.987 1.00 10.00 C ATOM 219 O GLN A 31 -8.081 8.468 7.108 1.00 10.00 O ATOM 220 CB GLN A 31 -10.906 8.200 6.898 1.00 10.00 C ATOM 221 CG GLN A 31 -11.479 9.586 6.630 1.00 10.00 C ATOM 222 CD GLN A 31 -12.347 10.105 7.764 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.955 9.333 8.509 1.00 10.00 O ATOM 224 NE2 GLN A 31 -12.418 11.421 7.895 1.00 10.00 N ATOM 0 H GLN A 31 -9.658 5.881 6.764 1.00 10.00 H new ATOM 0 HA GLN A 31 -10.373 8.011 4.846 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -11.726 7.488 6.992 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -10.382 8.210 7.853 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -10.659 10.284 6.460 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -12.069 9.557 5.714 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -11.899 12.026 7.258 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.991 11.830 8.633 1.00 10.00 H new ATOM 233 N PHE A 32 -7.954 8.711 4.876 1.00 10.00 N ATOM 234 CA PHE A 32 -6.630 9.310 4.903 1.00 10.00 C ATOM 235 C PHE A 32 -6.689 10.790 5.251 1.00 10.00 C ATOM 236 O PHE A 32 -7.121 11.611 4.445 1.00 10.00 O ATOM 237 CB PHE A 32 -5.946 9.141 3.548 1.00 10.00 C ATOM 238 CG PHE A 32 -4.855 8.108 3.541 1.00 10.00 C ATOM 239 CD1 PHE A 32 -5.069 6.859 2.989 1.00 10.00 C ATOM 240 CD2 PHE A 32 -3.612 8.394 4.080 1.00 10.00 C ATOM 241 CE1 PHE A 32 -4.064 5.912 2.973 1.00 10.00 C ATOM 242 CE2 PHE A 32 -2.601 7.451 4.070 1.00 10.00 C ATOM 243 CZ PHE A 32 -2.828 6.208 3.514 1.00 10.00 C ATOM 0 H PHE A 32 -8.346 8.597 3.941 1.00 10.00 H new ATOM 0 HA PHE A 32 -6.057 8.797 5.675 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -6.696 8.868 2.805 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -5.527 10.100 3.241 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -6.033 6.621 2.565 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -3.430 9.366 4.514 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -4.244 4.940 2.538 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -1.637 7.686 4.496 1.00 10.00 H new ATOM 0 HZ PHE A 32 -2.041 5.469 3.502 1.00 10.00 H new ATOM 253 N LYS A 33 -6.261 11.117 6.459 1.00 10.00 N ATOM 254 CA LYS A 33 -6.227 12.497 6.903 1.00 10.00 C ATOM 255 C LYS A 33 -4.820 13.044 6.701 1.00 10.00 C ATOM 256 O LYS A 33 -3.954 12.897 7.568 1.00 10.00 O ATOM 257 CB LYS A 33 -6.648 12.601 8.372 1.00 10.00 C ATOM 258 CG LYS A 33 -6.647 14.027 8.908 1.00 10.00 C ATOM 259 CD LYS A 33 -7.844 14.280 9.810 1.00 10.00 C ATOM 260 CE LYS A 33 -9.119 14.473 9.001 1.00 10.00 C ATOM 261 NZ LYS A 33 -10.323 14.517 9.866 1.00 10.00 N ATOM 0 H LYS A 33 -5.932 10.443 7.150 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.931 13.088 6.317 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.647 12.180 8.485 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.975 11.994 8.978 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -5.726 14.208 9.463 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -6.661 14.730 8.076 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -7.969 13.441 10.495 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -7.661 15.165 10.420 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -9.049 15.398 8.429 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -9.219 13.660 8.282 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -11.169 14.650 9.276 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -10.405 13.624 10.393 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -10.240 15.308 10.536 1.00 10.00 H new ATOM 275 N ILE A 34 -4.584 13.638 5.540 1.00 10.00 N ATOM 276 CA ILE A 34 -3.270 14.173 5.217 1.00 10.00 C ATOM 277 C ILE A 34 -3.366 15.617 4.723 1.00 10.00 C ATOM 278 O ILE A 34 -4.457 16.170 4.593 1.00 10.00 O ATOM 279 CB ILE A 34 -2.547 13.302 4.149 1.00 10.00 C ATOM 280 CG1 ILE A 34 -2.984 13.684 2.735 1.00 10.00 C ATOM 281 CG2 ILE A 34 -2.818 11.822 4.388 1.00 10.00 C ATOM 282 CD1 ILE A 34 -2.186 13.002 1.646 1.00 10.00 C ATOM 0 H ILE A 34 -5.284 13.761 4.808 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.685 14.153 6.136 1.00 10.00 H new ATOM 0 HB ILE A 34 -1.477 13.489 4.243 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -4.038 13.435 2.611 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -2.895 14.764 2.616 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.303 11.231 3.630 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -2.455 11.541 5.376 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -3.890 11.634 4.328 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -2.553 13.322 0.671 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -1.134 13.270 1.743 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -2.295 11.921 1.738 1.00 10.00 H new ATOM 294 N LYS A 35 -2.214 16.223 4.469 1.00 10.00 N ATOM 295 CA LYS A 35 -2.163 17.589 3.970 1.00 10.00 C ATOM 296 C LYS A 35 -2.129 17.567 2.445 1.00 10.00 C ATOM 297 O LYS A 35 -1.916 16.518 1.844 1.00 10.00 O ATOM 298 CB LYS A 35 -0.931 18.320 4.508 1.00 10.00 C ATOM 299 CG LYS A 35 -0.757 18.212 6.015 1.00 10.00 C ATOM 300 CD LYS A 35 -1.738 19.099 6.761 1.00 10.00 C ATOM 301 CE LYS A 35 -1.316 19.289 8.209 1.00 10.00 C ATOM 302 NZ LYS A 35 -0.092 20.129 8.330 1.00 10.00 N ATOM 0 H LYS A 35 -1.301 15.788 4.601 1.00 10.00 H new ATOM 0 HA LYS A 35 -3.051 18.122 4.312 1.00 10.00 H new ATOM 0 HB2 LYS A 35 -0.042 17.920 4.020 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.998 19.373 4.235 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -0.896 17.176 6.324 1.00 10.00 H new ATOM 0 HG3 LYS A 35 0.262 18.490 6.284 1.00 10.00 H new ATOM 0 HD2 LYS A 35 -1.803 20.069 6.268 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -2.733 18.656 6.725 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -2.130 19.753 8.766 1.00 10.00 H new ATOM 0 HE3 LYS A 35 -1.133 18.315 8.664 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 0.073 20.360 9.331 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 0.726 19.607 7.955 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 -0.219 21.008 7.789 1.00 10.00 H new ATOM 316 N ARG A 36 -2.310 18.717 1.819 1.00 10.00 N ATOM 317 CA ARG A 36 -2.314 18.785 0.362 1.00 10.00 C ATOM 318 C ARG A 36 -0.909 19.009 -0.198 1.00 10.00 C ATOM 319 O ARG A 36 -0.724 19.086 -1.411 1.00 10.00 O ATOM 320 CB ARG A 36 -3.256 19.888 -0.115 1.00 10.00 C ATOM 321 CG ARG A 36 -4.721 19.580 0.152 1.00 10.00 C ATOM 322 CD ARG A 36 -5.624 20.745 -0.224 1.00 10.00 C ATOM 323 NE ARG A 36 -5.659 20.979 -1.669 1.00 10.00 N ATOM 324 CZ ARG A 36 -6.737 20.801 -2.435 1.00 10.00 C ATOM 325 NH1 ARG A 36 -7.875 20.368 -1.906 1.00 10.00 N ATOM 326 NH2 ARG A 36 -6.676 21.062 -3.732 1.00 10.00 N ATOM 0 H ARG A 36 -2.455 19.611 2.289 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.670 17.825 -0.012 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -2.992 20.822 0.380 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.113 20.042 -1.184 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -5.015 18.696 -0.414 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.855 19.343 1.207 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.635 20.549 0.134 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -5.277 21.647 0.279 1.00 10.00 H new ATOM 0 HE ARG A 36 -4.802 21.299 -2.120 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.930 20.169 -0.907 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -8.695 20.235 -2.498 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -5.806 21.399 -4.144 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -7.499 20.926 -4.319 1.00 10.00 H new ATOM 340 N HIS A 37 0.083 19.098 0.680 1.00 10.00 N ATOM 341 CA HIS A 37 1.458 19.316 0.236 1.00 10.00 C ATOM 342 C HIS A 37 2.332 18.085 0.504 1.00 10.00 C ATOM 343 O HIS A 37 3.311 17.851 -0.205 1.00 10.00 O ATOM 344 CB HIS A 37 2.052 20.574 0.901 1.00 10.00 C ATOM 345 CG HIS A 37 2.706 20.333 2.232 1.00 10.00 C ATOM 346 ND1 HIS A 37 4.072 20.370 2.377 1.00 10.00 N ATOM 347 CD2 HIS A 37 2.144 20.037 3.427 1.00 10.00 C ATOM 348 CE1 HIS A 37 4.307 20.096 3.649 1.00 10.00 C ATOM 349 NE2 HIS A 37 3.169 19.887 4.324 1.00 10.00 N ATOM 0 H HIS A 37 -0.034 19.024 1.691 1.00 10.00 H new ATOM 0 HA HIS A 37 1.441 19.477 -0.842 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.786 21.013 0.225 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.258 21.309 1.030 1.00 10.00 H new ATOM 0 HD1 HIS A 37 4.762 20.568 1.653 1.00 10.00 H new ATOM 0 HD2 HIS A 37 1.089 19.938 3.634 1.00 10.00 H new ATOM 0 HE1 HIS A 37 5.292 20.047 4.088 1.00 10.00 H new ATOM 357 N THR A 38 1.973 17.310 1.524 1.00 10.00 N ATOM 358 CA THR A 38 2.722 16.112 1.889 1.00 10.00 C ATOM 359 C THR A 38 2.704 15.087 0.753 1.00 10.00 C ATOM 360 O THR A 38 1.637 14.736 0.253 1.00 10.00 O ATOM 361 CB THR A 38 2.137 15.484 3.170 1.00 10.00 C ATOM 362 OG1 THR A 38 1.677 16.523 4.049 1.00 10.00 O ATOM 363 CG2 THR A 38 3.175 14.631 3.889 1.00 10.00 C ATOM 0 H THR A 38 1.162 17.492 2.116 1.00 10.00 H new ATOM 0 HA THR A 38 3.756 16.405 2.074 1.00 10.00 H new ATOM 0 HB THR A 38 1.304 14.842 2.885 1.00 10.00 H new ATOM 0 HG1 THR A 38 2.408 16.799 4.640 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.733 14.202 4.788 1.00 10.00 H new ATOM 0 HG22 THR A 38 3.507 13.829 3.229 1.00 10.00 H new ATOM 0 HG23 THR A 38 4.028 15.251 4.164 1.00 10.00 H new ATOM 371 N PRO A 39 3.893 14.621 0.316 1.00 10.00 N ATOM 372 CA PRO A 39 4.026 13.637 -0.768 1.00 10.00 C ATOM 373 C PRO A 39 3.176 12.385 -0.558 1.00 10.00 C ATOM 374 O PRO A 39 2.984 11.926 0.571 1.00 10.00 O ATOM 375 CB PRO A 39 5.513 13.277 -0.742 1.00 10.00 C ATOM 376 CG PRO A 39 6.181 14.463 -0.150 1.00 10.00 C ATOM 377 CD PRO A 39 5.209 15.036 0.841 1.00 10.00 C ATOM 0 HA PRO A 39 3.680 14.047 -1.717 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.693 12.383 -0.145 1.00 10.00 H new ATOM 0 HB3 PRO A 39 5.888 13.072 -1.745 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.115 14.182 0.337 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.431 15.194 -0.919 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.382 14.646 1.844 1.00 10.00 H new ATOM 0 HD3 PRO A 39 5.292 16.121 0.903 1.00 10.00 H new ATOM 385 N LEU A 40 2.692 11.827 -1.661 1.00 10.00 N ATOM 386 CA LEU A 40 1.863 10.630 -1.621 1.00 10.00 C ATOM 387 C LEU A 40 2.697 9.403 -1.263 1.00 10.00 C ATOM 388 O LEU A 40 2.158 8.316 -1.046 1.00 10.00 O ATOM 389 CB LEU A 40 1.160 10.426 -2.966 1.00 10.00 C ATOM 390 CG LEU A 40 0.139 11.506 -3.333 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.357 11.316 -4.756 1.00 10.00 C ATOM 392 CD2 LEU A 40 -1.029 11.488 -2.357 1.00 10.00 C ATOM 0 H LEU A 40 2.861 12.188 -2.600 1.00 10.00 H new ATOM 0 HA LEU A 40 1.107 10.763 -0.848 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.915 10.380 -3.750 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.655 9.460 -2.952 1.00 10.00 H new ATOM 0 HG LEU A 40 0.631 12.477 -3.269 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.082 12.094 -4.996 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.484 11.379 -5.446 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.830 10.339 -4.849 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.745 12.262 -2.633 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.516 10.514 -2.391 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.663 11.675 -1.348 1.00 10.00 H new ATOM 404 N SER A 41 4.010 9.583 -1.208 1.00 10.00 N ATOM 405 CA SER A 41 4.922 8.511 -0.848 1.00 10.00 C ATOM 406 C SER A 41 4.607 8.022 0.562 1.00 10.00 C ATOM 407 O SER A 41 4.609 6.819 0.836 1.00 10.00 O ATOM 408 CB SER A 41 6.356 9.026 -0.939 1.00 10.00 C ATOM 409 OG SER A 41 6.399 10.224 -1.702 1.00 10.00 O ATOM 0 H SER A 41 4.469 10.471 -1.411 1.00 10.00 H new ATOM 0 HA SER A 41 4.805 7.672 -1.534 1.00 10.00 H new ATOM 0 HB2 SER A 41 6.749 9.209 0.061 1.00 10.00 H new ATOM 0 HB3 SER A 41 6.993 8.270 -1.398 1.00 10.00 H new ATOM 0 HG SER A 41 7.088 10.146 -2.395 1.00 10.00 H new ATOM 415 N LYS A 42 4.295 8.968 1.444 1.00 10.00 N ATOM 416 CA LYS A 42 3.947 8.646 2.822 1.00 10.00 C ATOM 417 C LYS A 42 2.616 7.910 2.854 1.00 10.00 C ATOM 418 O LYS A 42 2.415 7.001 3.657 1.00 10.00 O ATOM 419 CB LYS A 42 3.858 9.918 3.671 1.00 10.00 C ATOM 420 CG LYS A 42 5.155 10.283 4.373 1.00 10.00 C ATOM 421 CD LYS A 42 4.932 11.356 5.432 1.00 10.00 C ATOM 422 CE LYS A 42 6.226 11.710 6.151 1.00 10.00 C ATOM 423 NZ LYS A 42 5.974 12.456 7.412 1.00 10.00 N ATOM 0 H LYS A 42 4.277 9.964 1.227 1.00 10.00 H new ATOM 0 HA LYS A 42 4.727 8.008 3.238 1.00 10.00 H new ATOM 0 HB2 LYS A 42 3.556 10.748 3.033 1.00 10.00 H new ATOM 0 HB3 LYS A 42 3.075 9.790 4.419 1.00 10.00 H new ATOM 0 HG2 LYS A 42 5.581 9.394 4.838 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.880 10.638 3.640 1.00 10.00 H new ATOM 0 HD2 LYS A 42 4.519 12.250 4.964 1.00 10.00 H new ATOM 0 HD3 LYS A 42 4.196 11.006 6.156 1.00 10.00 H new ATOM 0 HE2 LYS A 42 6.779 10.797 6.374 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.854 12.311 5.493 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 6.820 13.005 7.665 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 5.169 13.101 7.279 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 5.756 11.784 8.175 1.00 10.00 H new ATOM 437 N LEU A 43 1.719 8.303 1.956 1.00 10.00 N ATOM 438 CA LEU A 43 0.399 7.694 1.860 1.00 10.00 C ATOM 439 C LEU A 43 0.517 6.217 1.501 1.00 10.00 C ATOM 440 O LEU A 43 -0.088 5.355 2.144 1.00 10.00 O ATOM 441 CB LEU A 43 -0.451 8.437 0.819 1.00 10.00 C ATOM 442 CG LEU A 43 -1.917 8.007 0.737 1.00 10.00 C ATOM 443 CD1 LEU A 43 -2.809 9.216 0.518 1.00 10.00 C ATOM 444 CD2 LEU A 43 -2.119 6.993 -0.379 1.00 10.00 C ATOM 0 H LEU A 43 1.885 9.047 1.279 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.093 7.771 2.830 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.415 9.504 1.041 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.005 8.300 -0.161 1.00 10.00 H new ATOM 0 HG LEU A 43 -2.190 7.536 1.682 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -3.849 8.895 0.462 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -2.688 9.912 1.348 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -2.531 9.710 -0.413 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -3.168 6.701 -0.420 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.829 7.437 -1.331 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.505 6.113 -0.187 1.00 10.00 H new ATOM 456 N MET A 44 1.315 5.932 0.483 1.00 10.00 N ATOM 457 CA MET A 44 1.518 4.565 0.028 1.00 10.00 C ATOM 458 C MET A 44 2.193 3.730 1.109 1.00 10.00 C ATOM 459 O MET A 44 1.848 2.568 1.317 1.00 10.00 O ATOM 460 CB MET A 44 2.356 4.548 -1.253 1.00 10.00 C ATOM 461 CG MET A 44 1.676 5.217 -2.437 1.00 10.00 C ATOM 462 SD MET A 44 2.568 4.972 -3.986 1.00 10.00 S ATOM 463 CE MET A 44 4.001 6.011 -3.721 1.00 10.00 C ATOM 0 H MET A 44 1.835 6.633 -0.046 1.00 10.00 H new ATOM 0 HA MET A 44 0.542 4.129 -0.185 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.306 5.047 -1.062 1.00 10.00 H new ATOM 0 HB3 MET A 44 2.585 3.515 -1.513 1.00 10.00 H new ATOM 0 HG2 MET A 44 0.665 4.823 -2.539 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.584 6.285 -2.241 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.596 6.049 -4.633 1.00 10.00 H new ATOM 0 HE2 MET A 44 3.677 7.018 -3.457 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.604 5.600 -2.911 1.00 10.00 H new ATOM 473 N LYS A 45 3.136 4.342 1.811 1.00 10.00 N ATOM 474 CA LYS A 45 3.875 3.663 2.866 1.00 10.00 C ATOM 475 C LYS A 45 2.988 3.376 4.076 1.00 10.00 C ATOM 476 O LYS A 45 3.064 2.301 4.673 1.00 10.00 O ATOM 477 CB LYS A 45 5.075 4.514 3.280 1.00 10.00 C ATOM 478 CG LYS A 45 6.277 3.702 3.722 1.00 10.00 C ATOM 479 CD LYS A 45 7.535 4.555 3.793 1.00 10.00 C ATOM 480 CE LYS A 45 7.913 5.112 2.426 1.00 10.00 C ATOM 481 NZ LYS A 45 9.322 5.587 2.392 1.00 10.00 N ATOM 0 H LYS A 45 3.409 5.314 1.668 1.00 10.00 H new ATOM 0 HA LYS A 45 4.222 2.705 2.478 1.00 10.00 H new ATOM 0 HB2 LYS A 45 5.365 5.149 2.443 1.00 10.00 H new ATOM 0 HB3 LYS A 45 4.776 5.176 4.093 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.080 3.262 4.699 1.00 10.00 H new ATOM 0 HG3 LYS A 45 6.435 2.877 3.027 1.00 10.00 H new ATOM 0 HD2 LYS A 45 7.379 5.377 4.491 1.00 10.00 H new ATOM 0 HD3 LYS A 45 8.359 3.958 4.184 1.00 10.00 H new ATOM 0 HE2 LYS A 45 7.771 4.342 1.668 1.00 10.00 H new ATOM 0 HE3 LYS A 45 7.246 5.936 2.172 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 9.540 5.958 1.445 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 9.452 6.340 3.098 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.961 4.795 2.609 1.00 10.00 H new ATOM 495 N ALA A 46 2.136 4.335 4.423 1.00 10.00 N ATOM 496 CA ALA A 46 1.236 4.195 5.563 1.00 10.00 C ATOM 497 C ALA A 46 0.309 2.993 5.403 1.00 10.00 C ATOM 498 O ALA A 46 0.200 2.155 6.301 1.00 10.00 O ATOM 499 CB ALA A 46 0.423 5.465 5.756 1.00 10.00 C ATOM 0 H ALA A 46 2.050 5.223 3.928 1.00 10.00 H new ATOM 0 HA ALA A 46 1.849 4.027 6.449 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -0.243 5.344 6.610 1.00 10.00 H new ATOM 0 HB2 ALA A 46 1.096 6.304 5.936 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -0.167 5.659 4.860 1.00 10.00 H new ATOM 505 N TYR A 47 -0.349 2.905 4.254 1.00 10.00 N ATOM 506 CA TYR A 47 -1.262 1.801 3.987 1.00 10.00 C ATOM 507 C TYR A 47 -0.491 0.489 3.864 1.00 10.00 C ATOM 508 O TYR A 47 -0.994 -0.578 4.231 1.00 10.00 O ATOM 509 CB TYR A 47 -2.082 2.076 2.723 1.00 10.00 C ATOM 510 CG TYR A 47 -3.085 0.990 2.395 1.00 10.00 C ATOM 511 CD1 TYR A 47 -2.872 0.116 1.337 1.00 10.00 C ATOM 512 CD2 TYR A 47 -4.239 0.835 3.153 1.00 10.00 C ATOM 513 CE1 TYR A 47 -3.781 -0.880 1.040 1.00 10.00 C ATOM 514 CE2 TYR A 47 -5.155 -0.160 2.860 1.00 10.00 C ATOM 515 CZ TYR A 47 -4.919 -1.014 1.803 1.00 10.00 C ATOM 516 OH TYR A 47 -5.819 -2.012 1.511 1.00 10.00 O ATOM 0 H TYR A 47 -0.268 3.582 3.495 1.00 10.00 H new ATOM 0 HA TYR A 47 -1.953 1.711 4.825 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.611 3.021 2.843 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -1.402 2.196 1.879 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -1.980 0.217 0.736 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.424 1.501 3.983 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -3.600 -1.551 0.213 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -6.050 -0.267 3.456 1.00 10.00 H new ATOM 0 HH TYR A 47 -6.724 -1.712 1.736 1.00 10.00 H new ATOM 526 N CYS A 48 0.738 0.580 3.365 1.00 10.00 N ATOM 527 CA CYS A 48 1.596 -0.586 3.203 1.00 10.00 C ATOM 528 C CYS A 48 1.879 -1.232 4.554 1.00 10.00 C ATOM 529 O CYS A 48 1.763 -2.450 4.710 1.00 10.00 O ATOM 530 CB CYS A 48 2.908 -0.182 2.529 1.00 10.00 C ATOM 531 SG CYS A 48 3.933 -1.572 2.002 1.00 10.00 S ATOM 0 H CYS A 48 1.163 1.457 3.064 1.00 10.00 H new ATOM 0 HA CYS A 48 1.081 -1.311 2.573 1.00 10.00 H new ATOM 0 HB2 CYS A 48 2.681 0.436 1.661 1.00 10.00 H new ATOM 0 HB3 CYS A 48 3.482 0.436 3.219 1.00 10.00 H new ATOM 0 HG CYS A 48 3.784 -2.561 2.833 1.00 10.00 H new ATOM 537 N GLU A 49 2.237 -0.407 5.530 1.00 10.00 N ATOM 538 CA GLU A 49 2.529 -0.886 6.873 1.00 10.00 C ATOM 539 C GLU A 49 1.251 -1.332 7.573 1.00 10.00 C ATOM 540 O GLU A 49 1.267 -2.242 8.403 1.00 10.00 O ATOM 541 CB GLU A 49 3.220 0.211 7.685 1.00 10.00 C ATOM 542 CG GLU A 49 4.642 0.498 7.230 1.00 10.00 C ATOM 543 CD GLU A 49 5.499 -0.751 7.208 1.00 10.00 C ATOM 544 OE1 GLU A 49 5.692 -1.362 8.282 1.00 10.00 O ATOM 545 OE2 GLU A 49 5.978 -1.129 6.121 1.00 10.00 O ATOM 0 H GLU A 49 2.332 0.602 5.414 1.00 10.00 H new ATOM 0 HA GLU A 49 3.198 -1.743 6.796 1.00 10.00 H new ATOM 0 HB2 GLU A 49 2.633 1.127 7.616 1.00 10.00 H new ATOM 0 HB3 GLU A 49 3.235 -0.080 8.735 1.00 10.00 H new ATOM 0 HG2 GLU A 49 4.621 0.939 6.234 1.00 10.00 H new ATOM 0 HG3 GLU A 49 5.093 1.234 7.895 1.00 10.00 H new ATOM 552 N ARG A 50 0.144 -0.689 7.225 1.00 10.00 N ATOM 553 CA ARG A 50 -1.155 -1.010 7.802 1.00 10.00 C ATOM 554 C ARG A 50 -1.557 -2.442 7.457 1.00 10.00 C ATOM 555 O ARG A 50 -2.031 -3.192 8.312 1.00 10.00 O ATOM 556 CB ARG A 50 -2.196 -0.025 7.277 1.00 10.00 C ATOM 557 CG ARG A 50 -3.479 0.035 8.088 1.00 10.00 C ATOM 558 CD ARG A 50 -4.088 1.415 8.002 1.00 10.00 C ATOM 559 NE ARG A 50 -3.240 2.415 8.651 1.00 10.00 N ATOM 560 CZ ARG A 50 -3.526 2.975 9.824 1.00 10.00 C ATOM 561 NH1 ARG A 50 -4.657 2.669 10.445 1.00 10.00 N ATOM 562 NH2 ARG A 50 -2.691 3.852 10.371 1.00 10.00 N ATOM 0 H ARG A 50 0.121 0.065 6.539 1.00 10.00 H new ATOM 0 HA ARG A 50 -1.094 -0.929 8.887 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -1.753 0.970 7.249 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -2.444 -0.292 6.250 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -4.187 -0.706 7.717 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -3.272 -0.215 9.129 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -4.235 1.685 6.956 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -5.072 1.410 8.472 1.00 10.00 H new ATOM 0 HE ARG A 50 -2.382 2.699 8.178 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -5.307 2.005 10.024 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -4.877 3.098 11.344 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -1.825 4.099 9.892 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -2.916 4.278 11.270 1.00 10.00 H new ATOM 576 N GLN A 51 -1.348 -2.813 6.200 1.00 10.00 N ATOM 577 CA GLN A 51 -1.673 -4.154 5.730 1.00 10.00 C ATOM 578 C GLN A 51 -0.538 -5.122 6.039 1.00 10.00 C ATOM 579 O GLN A 51 -0.736 -6.335 6.067 1.00 10.00 O ATOM 580 CB GLN A 51 -1.950 -4.141 4.224 1.00 10.00 C ATOM 581 CG GLN A 51 -3.303 -3.552 3.858 1.00 10.00 C ATOM 582 CD GLN A 51 -4.415 -4.584 3.878 1.00 10.00 C ATOM 583 OE1 GLN A 51 -4.335 -5.590 4.584 1.00 10.00 O ATOM 584 NE2 GLN A 51 -5.460 -4.339 3.104 1.00 10.00 N ATOM 0 H GLN A 51 -0.953 -2.202 5.485 1.00 10.00 H new ATOM 0 HA GLN A 51 -2.570 -4.488 6.252 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -1.168 -3.570 3.724 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -1.892 -5.161 3.844 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -3.545 -2.749 4.554 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -3.244 -3.106 2.865 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -5.486 -3.493 2.535 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -6.240 -4.996 3.077 1.00 10.00 H new ATOM 593 N GLY A 52 0.647 -4.579 6.283 1.00 10.00 N ATOM 594 CA GLY A 52 1.795 -5.410 6.581 1.00 10.00 C ATOM 595 C GLY A 52 2.262 -6.174 5.362 1.00 10.00 C ATOM 596 O GLY A 52 2.502 -7.379 5.422 1.00 10.00 O ATOM 0 H GLY A 52 0.833 -3.576 6.280 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.608 -4.787 6.954 1.00 10.00 H new ATOM 0 HA3 GLY A 52 1.540 -6.112 7.375 1.00 10.00 H new ATOM 600 N LEU A 53 2.381 -5.469 4.246 1.00 10.00 N ATOM 601 CA LEU A 53 2.805 -6.080 2.996 1.00 10.00 C ATOM 602 C LEU A 53 4.047 -5.385 2.458 1.00 10.00 C ATOM 603 O LEU A 53 4.487 -4.374 3.009 1.00 10.00 O ATOM 604 CB LEU A 53 1.682 -6.005 1.958 1.00 10.00 C ATOM 605 CG LEU A 53 0.378 -6.701 2.353 1.00 10.00 C ATOM 606 CD1 LEU A 53 -0.682 -6.495 1.282 1.00 10.00 C ATOM 607 CD2 LEU A 53 0.610 -8.185 2.592 1.00 10.00 C ATOM 0 H LEU A 53 2.189 -4.469 4.182 1.00 10.00 H new ATOM 0 HA LEU A 53 3.041 -7.126 3.191 1.00 10.00 H new ATOM 0 HB2 LEU A 53 1.467 -4.956 1.755 1.00 10.00 H new ATOM 0 HB3 LEU A 53 2.041 -6.443 1.027 1.00 10.00 H new ATOM 0 HG LEU A 53 0.023 -6.256 3.282 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -1.603 -6.997 1.580 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -0.873 -5.429 1.160 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -0.331 -6.911 0.338 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -0.330 -8.660 2.872 1.00 10.00 H new ATOM 0 HD22 LEU A 53 0.992 -8.645 1.681 1.00 10.00 H new ATOM 0 HD23 LEU A 53 1.335 -8.315 3.395 1.00 10.00 H new ATOM 619 N SER A 54 4.605 -5.934 1.387 1.00 10.00 N ATOM 620 CA SER A 54 5.783 -5.365 0.755 1.00 10.00 C ATOM 621 C SER A 54 5.376 -4.192 -0.133 1.00 10.00 C ATOM 622 O SER A 54 4.453 -4.308 -0.944 1.00 10.00 O ATOM 623 CB SER A 54 6.512 -6.432 -0.074 1.00 10.00 C ATOM 624 OG SER A 54 7.601 -5.879 -0.803 1.00 10.00 O ATOM 0 H SER A 54 4.255 -6.780 0.936 1.00 10.00 H new ATOM 0 HA SER A 54 6.462 -5.007 1.529 1.00 10.00 H new ATOM 0 HB2 SER A 54 6.878 -7.218 0.586 1.00 10.00 H new ATOM 0 HB3 SER A 54 5.810 -6.898 -0.766 1.00 10.00 H new ATOM 0 HG SER A 54 8.043 -6.586 -1.318 1.00 10.00 H new ATOM 630 N MET A 55 6.074 -3.071 0.014 1.00 10.00 N ATOM 631 CA MET A 55 5.782 -1.870 -0.768 1.00 10.00 C ATOM 632 C MET A 55 6.059 -2.088 -2.257 1.00 10.00 C ATOM 633 O MET A 55 5.660 -1.283 -3.097 1.00 10.00 O ATOM 634 CB MET A 55 6.606 -0.689 -0.252 1.00 10.00 C ATOM 635 CG MET A 55 6.108 0.657 -0.755 1.00 10.00 C ATOM 636 SD MET A 55 7.027 2.049 -0.072 1.00 10.00 S ATOM 637 CE MET A 55 6.127 3.416 -0.796 1.00 10.00 C ATOM 0 H MET A 55 6.849 -2.967 0.669 1.00 10.00 H new ATOM 0 HA MET A 55 4.721 -1.649 -0.651 1.00 10.00 H new ATOM 0 HB2 MET A 55 6.588 -0.691 0.838 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.645 -0.820 -0.554 1.00 10.00 H new ATOM 0 HG2 MET A 55 6.179 0.681 -1.842 1.00 10.00 H new ATOM 0 HG3 MET A 55 5.053 0.766 -0.502 1.00 10.00 H new ATOM 0 HE1 MET A 55 6.571 4.357 -0.471 1.00 10.00 H new ATOM 0 HE2 MET A 55 6.175 3.348 -1.883 1.00 10.00 H new ATOM 0 HE3 MET A 55 5.086 3.377 -0.475 1.00 10.00 H new ATOM 647 N ARG A 56 6.736 -3.178 -2.584 1.00 10.00 N ATOM 648 CA ARG A 56 7.047 -3.473 -3.974 1.00 10.00 C ATOM 649 C ARG A 56 6.034 -4.457 -4.558 1.00 10.00 C ATOM 650 O ARG A 56 6.068 -4.761 -5.747 1.00 10.00 O ATOM 651 CB ARG A 56 8.468 -4.032 -4.099 1.00 10.00 C ATOM 652 CG ARG A 56 8.982 -4.068 -5.531 1.00 10.00 C ATOM 653 CD ARG A 56 10.424 -4.535 -5.603 1.00 10.00 C ATOM 654 NE ARG A 56 10.866 -4.726 -6.984 1.00 10.00 N ATOM 655 CZ ARG A 56 11.459 -3.781 -7.713 1.00 10.00 C ATOM 656 NH1 ARG A 56 11.652 -2.565 -7.215 1.00 10.00 N ATOM 657 NH2 ARG A 56 11.851 -4.053 -8.949 1.00 10.00 N ATOM 0 H ARG A 56 7.078 -3.867 -1.914 1.00 10.00 H new ATOM 0 HA ARG A 56 6.988 -2.544 -4.541 1.00 10.00 H new ATOM 0 HB2 ARG A 56 9.143 -3.426 -3.494 1.00 10.00 H new ATOM 0 HB3 ARG A 56 8.490 -5.041 -3.688 1.00 10.00 H new ATOM 0 HG2 ARG A 56 8.355 -4.733 -6.125 1.00 10.00 H new ATOM 0 HG3 ARG A 56 8.900 -3.074 -5.971 1.00 10.00 H new ATOM 0 HD2 ARG A 56 11.067 -3.804 -5.114 1.00 10.00 H new ATOM 0 HD3 ARG A 56 10.530 -5.471 -5.055 1.00 10.00 H new ATOM 0 HE ARG A 56 10.711 -5.637 -7.415 1.00 10.00 H new ATOM 0 HH11 ARG A 56 11.345 -2.348 -6.267 1.00 10.00 H new ATOM 0 HH12 ARG A 56 12.107 -1.848 -7.781 1.00 10.00 H new ATOM 0 HH21 ARG A 56 11.699 -4.983 -9.339 1.00 10.00 H new ATOM 0 HH22 ARG A 56 12.305 -3.332 -9.510 1.00 10.00 H new ATOM 671 N GLN A 57 5.110 -4.930 -3.733 1.00 10.00 N ATOM 672 CA GLN A 57 4.105 -5.883 -4.198 1.00 10.00 C ATOM 673 C GLN A 57 2.777 -5.190 -4.488 1.00 10.00 C ATOM 674 O GLN A 57 1.926 -5.728 -5.192 1.00 10.00 O ATOM 675 CB GLN A 57 3.900 -6.997 -3.171 1.00 10.00 C ATOM 676 CG GLN A 57 3.100 -8.174 -3.705 1.00 10.00 C ATOM 677 CD GLN A 57 3.164 -9.388 -2.799 1.00 10.00 C ATOM 678 OE1 GLN A 57 4.165 -9.620 -2.120 1.00 10.00 O ATOM 679 NE2 GLN A 57 2.096 -10.167 -2.778 1.00 10.00 N ATOM 0 H GLN A 57 5.033 -4.675 -2.748 1.00 10.00 H new ATOM 0 HA GLN A 57 4.472 -6.321 -5.126 1.00 10.00 H new ATOM 0 HB2 GLN A 57 4.873 -7.353 -2.833 1.00 10.00 H new ATOM 0 HB3 GLN A 57 3.390 -6.587 -2.299 1.00 10.00 H new ATOM 0 HG2 GLN A 57 2.060 -7.874 -3.829 1.00 10.00 H new ATOM 0 HG3 GLN A 57 3.474 -8.443 -4.693 1.00 10.00 H new ATOM 0 HE21 GLN A 57 1.287 -9.939 -3.356 1.00 10.00 H new ATOM 0 HE22 GLN A 57 2.081 -10.996 -2.184 1.00 10.00 H new ATOM 688 N ILE A 58 2.601 -3.991 -3.957 1.00 10.00 N ATOM 689 CA ILE A 58 1.366 -3.248 -4.171 1.00 10.00 C ATOM 690 C ILE A 58 1.563 -2.146 -5.207 1.00 10.00 C ATOM 691 O ILE A 58 2.679 -1.663 -5.409 1.00 10.00 O ATOM 692 CB ILE A 58 0.830 -2.644 -2.855 1.00 10.00 C ATOM 693 CG1 ILE A 58 1.956 -1.950 -2.080 1.00 10.00 C ATOM 694 CG2 ILE A 58 0.178 -3.730 -2.006 1.00 10.00 C ATOM 695 CD1 ILE A 58 1.532 -1.435 -0.720 1.00 10.00 C ATOM 0 H ILE A 58 3.291 -3.512 -3.378 1.00 10.00 H new ATOM 0 HA ILE A 58 0.627 -3.956 -4.546 1.00 10.00 H new ATOM 0 HB ILE A 58 0.077 -1.894 -3.097 1.00 10.00 H new ATOM 0 HG12 ILE A 58 2.782 -2.650 -1.952 1.00 10.00 H new ATOM 0 HG13 ILE A 58 2.333 -1.117 -2.673 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -0.196 -3.293 -1.080 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -0.650 -4.175 -2.558 1.00 10.00 H new ATOM 0 HG23 ILE A 58 0.914 -4.500 -1.772 1.00 10.00 H new ATOM 0 HD11 ILE A 58 2.381 -0.957 -0.231 1.00 10.00 H new ATOM 0 HD12 ILE A 58 0.727 -0.710 -0.840 1.00 10.00 H new ATOM 0 HD13 ILE A 58 1.183 -2.267 -0.109 1.00 10.00 H new ATOM 707 N ARG A 59 0.485 -1.786 -5.889 1.00 10.00 N ATOM 708 CA ARG A 59 0.522 -0.745 -6.907 1.00 10.00 C ATOM 709 C ARG A 59 -0.613 0.243 -6.689 1.00 10.00 C ATOM 710 O ARG A 59 -1.781 -0.141 -6.661 1.00 10.00 O ATOM 711 CB ARG A 59 0.405 -1.354 -8.310 1.00 10.00 C ATOM 712 CG ARG A 59 1.584 -2.228 -8.707 1.00 10.00 C ATOM 713 CD ARG A 59 2.884 -1.437 -8.756 1.00 10.00 C ATOM 714 NE ARG A 59 4.003 -2.257 -9.210 1.00 10.00 N ATOM 715 CZ ARG A 59 4.759 -2.999 -8.404 1.00 10.00 C ATOM 716 NH1 ARG A 59 4.527 -3.012 -7.096 1.00 10.00 N ATOM 717 NH2 ARG A 59 5.754 -3.720 -8.907 1.00 10.00 N ATOM 0 H ARG A 59 -0.435 -2.204 -5.754 1.00 10.00 H new ATOM 0 HA ARG A 59 1.477 -0.225 -6.826 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -0.508 -1.948 -8.362 1.00 10.00 H new ATOM 0 HB3 ARG A 59 0.303 -0.548 -9.037 1.00 10.00 H new ATOM 0 HG2 ARG A 59 1.684 -3.048 -7.996 1.00 10.00 H new ATOM 0 HG3 ARG A 59 1.393 -2.674 -9.683 1.00 10.00 H new ATOM 0 HD2 ARG A 59 2.765 -0.584 -9.424 1.00 10.00 H new ATOM 0 HD3 ARG A 59 3.104 -1.039 -7.766 1.00 10.00 H new ATOM 0 HE ARG A 59 4.219 -2.262 -10.207 1.00 10.00 H new ATOM 0 HH11 ARG A 59 3.768 -2.452 -6.707 1.00 10.00 H new ATOM 0 HH12 ARG A 59 5.108 -3.582 -6.481 1.00 10.00 H new ATOM 0 HH21 ARG A 59 5.938 -3.705 -9.910 1.00 10.00 H new ATOM 0 HH22 ARG A 59 6.334 -4.289 -8.290 1.00 10.00 H new ATOM 731 N PHE A 60 -0.272 1.511 -6.528 1.00 10.00 N ATOM 732 CA PHE A 60 -1.269 2.546 -6.309 1.00 10.00 C ATOM 733 C PHE A 60 -1.569 3.280 -7.609 1.00 10.00 C ATOM 734 O PHE A 60 -0.657 3.659 -8.344 1.00 10.00 O ATOM 735 CB PHE A 60 -0.790 3.540 -5.249 1.00 10.00 C ATOM 736 CG PHE A 60 -0.759 2.973 -3.858 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.221 2.064 -3.486 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.700 3.358 -2.917 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.255 1.549 -2.208 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.669 2.843 -1.638 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.690 1.938 -1.283 1.00 10.00 C ATOM 0 H PHE A 60 0.690 1.849 -6.545 1.00 10.00 H new ATOM 0 HA PHE A 60 -2.182 2.068 -5.954 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.210 3.885 -5.513 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -1.443 4.413 -5.261 1.00 10.00 H new ATOM 0 HD1 PHE A 60 0.965 1.757 -4.206 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.466 4.069 -3.188 1.00 10.00 H new ATOM 0 HE1 PHE A 60 1.022 0.841 -1.931 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.411 3.148 -0.915 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.664 1.535 -0.281 1.00 10.00 H new ATOM 751 N ARG A 61 -2.849 3.466 -7.896 1.00 10.00 N ATOM 752 CA ARG A 61 -3.264 4.155 -9.112 1.00 10.00 C ATOM 753 C ARG A 61 -4.217 5.299 -8.790 1.00 10.00 C ATOM 754 O ARG A 61 -5.141 5.150 -7.988 1.00 10.00 O ATOM 755 CB ARG A 61 -3.928 3.180 -10.091 1.00 10.00 C ATOM 756 CG ARG A 61 -2.949 2.231 -10.764 1.00 10.00 C ATOM 757 CD ARG A 61 -3.580 1.508 -11.943 1.00 10.00 C ATOM 758 NE ARG A 61 -2.599 0.697 -12.662 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.145 0.978 -13.883 1.00 10.00 C ATOM 760 NH1 ARG A 61 -2.615 2.019 -14.557 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.218 0.209 -14.438 1.00 10.00 N ATOM 0 H ARG A 61 -3.618 3.150 -7.305 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.371 4.568 -9.581 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.678 2.596 -9.557 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.454 3.750 -10.857 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -2.078 2.790 -11.105 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.594 1.500 -10.037 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.391 0.871 -11.589 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -4.021 2.236 -12.624 1.00 10.00 H new ATOM 0 HE ARG A 61 -2.239 -0.138 -12.199 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -3.331 2.614 -14.141 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -2.260 2.224 -15.491 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -0.853 -0.597 -13.930 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -0.870 0.423 -15.373 1.00 10.00 H new ATOM 775 N PHE A 62 -3.980 6.439 -9.422 1.00 10.00 N ATOM 776 CA PHE A 62 -4.806 7.617 -9.223 1.00 10.00 C ATOM 777 C PHE A 62 -5.460 8.007 -10.540 1.00 10.00 C ATOM 778 O PHE A 62 -4.763 8.306 -11.511 1.00 10.00 O ATOM 779 CB PHE A 62 -3.964 8.780 -8.683 1.00 10.00 C ATOM 780 CG PHE A 62 -4.689 10.097 -8.674 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.729 10.328 -7.789 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.327 11.104 -9.555 1.00 10.00 C ATOM 783 CE1 PHE A 62 -6.400 11.537 -7.788 1.00 10.00 C ATOM 784 CE2 PHE A 62 -4.992 12.315 -9.559 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.029 12.531 -8.674 1.00 10.00 C ATOM 0 H PHE A 62 -3.214 6.572 -10.083 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.580 7.388 -8.491 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.644 8.545 -7.668 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.062 8.876 -9.288 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.019 9.556 -7.092 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -3.515 10.940 -10.247 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.212 11.704 -7.096 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -4.701 13.090 -10.252 1.00 10.00 H new ATOM 0 HZ PHE A 62 -6.551 13.477 -8.674 1.00 10.00 H new ATOM 795 N ASP A 63 -6.794 7.959 -10.567 1.00 10.00 N ATOM 796 CA ASP A 63 -7.599 8.300 -11.752 1.00 10.00 C ATOM 797 C ASP A 63 -7.454 7.251 -12.857 1.00 10.00 C ATOM 798 O ASP A 63 -8.428 6.892 -13.518 1.00 10.00 O ATOM 799 CB ASP A 63 -7.246 9.689 -12.299 1.00 10.00 C ATOM 800 CG ASP A 63 -8.184 10.116 -13.411 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.408 10.183 -13.163 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.704 10.386 -14.535 1.00 10.00 O ATOM 0 H ASP A 63 -7.355 7.680 -9.762 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.639 8.314 -11.425 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.287 10.418 -11.490 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.222 9.683 -12.671 1.00 10.00 H new ATOM 807 N GLY A 64 -6.240 6.766 -13.049 1.00 10.00 N ATOM 808 CA GLY A 64 -5.985 5.766 -14.056 1.00 10.00 C ATOM 809 C GLY A 64 -4.523 5.397 -14.120 1.00 10.00 C ATOM 810 O GLY A 64 -4.173 4.225 -14.259 1.00 10.00 O ATOM 0 H GLY A 64 -5.418 7.052 -12.517 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.576 4.875 -13.842 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -6.309 6.138 -15.028 1.00 10.00 H new ATOM 814 N GLN A 65 -3.667 6.399 -13.996 1.00 10.00 N ATOM 815 CA GLN A 65 -2.230 6.192 -14.048 1.00 10.00 C ATOM 816 C GLN A 65 -1.667 5.869 -12.668 1.00 10.00 C ATOM 817 O GLN A 65 -2.235 6.270 -11.650 1.00 10.00 O ATOM 818 CB GLN A 65 -1.552 7.446 -14.597 1.00 10.00 C ATOM 819 CG GLN A 65 -1.858 7.712 -16.058 1.00 10.00 C ATOM 820 CD GLN A 65 -1.100 6.786 -16.981 1.00 10.00 C ATOM 821 OE1 GLN A 65 -1.570 5.699 -17.317 1.00 10.00 O ATOM 822 NE2 GLN A 65 0.077 7.212 -17.401 1.00 10.00 N ATOM 0 H GLN A 65 -3.946 7.370 -13.858 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.031 5.344 -14.704 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -1.866 8.307 -14.006 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -0.473 7.350 -14.472 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -2.928 7.596 -16.230 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -1.607 8.745 -16.297 1.00 10.00 H new ATOM 0 HE21 GLN A 65 0.429 8.120 -17.098 1.00 10.00 H new ATOM 0 HE22 GLN A 65 0.635 6.633 -18.029 1.00 10.00 H new ATOM 831 N PRO A 66 -0.555 5.115 -12.612 1.00 10.00 N ATOM 832 CA PRO A 66 0.098 4.759 -11.351 1.00 10.00 C ATOM 833 C PRO A 66 0.749 5.979 -10.699 1.00 10.00 C ATOM 834 O PRO A 66 1.246 6.872 -11.391 1.00 10.00 O ATOM 835 CB PRO A 66 1.167 3.732 -11.756 1.00 10.00 C ATOM 836 CG PRO A 66 0.852 3.354 -13.164 1.00 10.00 C ATOM 837 CD PRO A 66 0.144 4.529 -13.768 1.00 10.00 C ATOM 0 HA PRO A 66 -0.609 4.368 -10.619 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.168 4.158 -11.680 1.00 10.00 H new ATOM 0 HB3 PRO A 66 1.140 2.861 -11.102 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.762 3.122 -13.717 1.00 10.00 H new ATOM 0 HG3 PRO A 66 0.224 2.463 -13.196 1.00 10.00 H new ATOM 0 HD2 PRO A 66 0.842 5.234 -14.219 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.552 4.224 -14.550 1.00 10.00 H new ATOM 845 N ILE A 67 0.748 6.008 -9.375 1.00 10.00 N ATOM 846 CA ILE A 67 1.328 7.121 -8.631 1.00 10.00 C ATOM 847 C ILE A 67 2.835 6.945 -8.463 1.00 10.00 C ATOM 848 O ILE A 67 3.322 5.825 -8.289 1.00 10.00 O ATOM 849 CB ILE A 67 0.676 7.260 -7.235 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.850 7.258 -7.355 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.149 8.531 -6.541 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.569 7.342 -6.027 1.00 10.00 C ATOM 0 H ILE A 67 0.351 5.272 -8.790 1.00 10.00 H new ATOM 0 HA ILE A 67 1.135 8.026 -9.208 1.00 10.00 H new ATOM 0 HB ILE A 67 0.981 6.405 -6.631 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.157 8.099 -7.977 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.163 6.350 -7.870 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.677 8.608 -5.561 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.232 8.499 -6.421 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.877 9.398 -7.144 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.646 7.335 -6.195 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.293 6.487 -5.409 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.287 8.264 -5.518 1.00 10.00 H new ATOM 864 N ASN A 68 3.565 8.051 -8.532 1.00 10.00 N ATOM 865 CA ASN A 68 5.011 8.026 -8.365 1.00 10.00 C ATOM 866 C ASN A 68 5.371 8.367 -6.926 1.00 10.00 C ATOM 867 O ASN A 68 4.588 9.001 -6.218 1.00 10.00 O ATOM 868 CB ASN A 68 5.685 9.016 -9.321 1.00 10.00 C ATOM 869 CG ASN A 68 6.153 8.364 -10.606 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.706 7.262 -10.594 1.00 10.00 O ATOM 871 ND2 ASN A 68 5.929 9.032 -11.725 1.00 10.00 N ATOM 0 H ASN A 68 3.177 8.979 -8.703 1.00 10.00 H new ATOM 0 HA ASN A 68 5.369 7.023 -8.599 1.00 10.00 H new ATOM 0 HB2 ASN A 68 4.986 9.818 -9.559 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.537 9.475 -8.820 1.00 10.00 H new ATOM 0 HD21 ASN A 68 6.217 8.638 -12.621 1.00 10.00 H new ATOM 0 HD22 ASN A 68 5.468 9.941 -11.693 1.00 10.00 H new ATOM 878 N GLU A 69 6.565 7.972 -6.499 1.00 10.00 N ATOM 879 CA GLU A 69 7.022 8.233 -5.131 1.00 10.00 C ATOM 880 C GLU A 69 7.415 9.698 -4.932 1.00 10.00 C ATOM 881 O GLU A 69 7.950 10.069 -3.887 1.00 10.00 O ATOM 882 CB GLU A 69 8.216 7.336 -4.783 1.00 10.00 C ATOM 883 CG GLU A 69 7.874 5.856 -4.694 1.00 10.00 C ATOM 884 CD GLU A 69 9.029 5.029 -4.170 1.00 10.00 C ATOM 885 OE1 GLU A 69 8.922 4.488 -3.048 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.056 4.919 -4.875 1.00 10.00 O ATOM 0 H GLU A 69 7.238 7.469 -7.078 1.00 10.00 H new ATOM 0 HA GLU A 69 6.188 8.009 -4.467 1.00 10.00 H new ATOM 0 HB2 GLU A 69 8.992 7.474 -5.535 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.635 7.659 -3.830 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.010 5.724 -4.042 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.588 5.492 -5.681 1.00 10.00 H new ATOM 893 N THR A 70 7.145 10.526 -5.926 1.00 10.00 N ATOM 894 CA THR A 70 7.475 11.938 -5.850 1.00 10.00 C ATOM 895 C THR A 70 6.254 12.801 -6.148 1.00 10.00 C ATOM 896 O THR A 70 6.368 14.015 -6.323 1.00 10.00 O ATOM 897 CB THR A 70 8.602 12.292 -6.837 1.00 10.00 C ATOM 898 OG1 THR A 70 9.219 11.088 -7.322 1.00 10.00 O ATOM 899 CG2 THR A 70 9.647 13.176 -6.168 1.00 10.00 C ATOM 0 H THR A 70 6.697 10.244 -6.798 1.00 10.00 H new ATOM 0 HA THR A 70 7.813 12.140 -4.834 1.00 10.00 H new ATOM 0 HB THR A 70 8.170 12.841 -7.674 1.00 10.00 H new ATOM 0 HG1 THR A 70 9.934 11.318 -7.951 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.434 13.414 -6.883 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.178 14.098 -5.825 1.00 10.00 H new ATOM 0 HG23 THR A 70 10.078 12.649 -5.317 1.00 10.00 H new ATOM 907 N ASP A 71 5.086 12.174 -6.196 1.00 10.00 N ATOM 908 CA ASP A 71 3.848 12.888 -6.489 1.00 10.00 C ATOM 909 C ASP A 71 3.220 13.442 -5.218 1.00 10.00 C ATOM 910 O ASP A 71 3.343 12.854 -4.141 1.00 10.00 O ATOM 911 CB ASP A 71 2.845 11.971 -7.193 1.00 10.00 C ATOM 912 CG ASP A 71 3.058 11.906 -8.691 1.00 10.00 C ATOM 913 OD1 ASP A 71 3.171 12.974 -9.329 1.00 10.00 O ATOM 914 OD2 ASP A 71 3.105 10.781 -9.239 1.00 10.00 O ATOM 0 H ASP A 71 4.969 11.173 -6.036 1.00 10.00 H new ATOM 0 HA ASP A 71 4.099 13.718 -7.149 1.00 10.00 H new ATOM 0 HB2 ASP A 71 2.923 10.967 -6.776 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.834 12.323 -6.990 1.00 10.00 H new ATOM 919 N THR A 72 2.555 14.581 -5.344 1.00 10.00 N ATOM 920 CA THR A 72 1.887 15.211 -4.219 1.00 10.00 C ATOM 921 C THR A 72 0.425 15.467 -4.574 1.00 10.00 C ATOM 922 O THR A 72 0.077 15.515 -5.760 1.00 10.00 O ATOM 923 CB THR A 72 2.559 16.549 -3.827 1.00 10.00 C ATOM 924 OG1 THR A 72 2.461 17.484 -4.911 1.00 10.00 O ATOM 925 CG2 THR A 72 4.021 16.345 -3.453 1.00 10.00 C ATOM 0 H THR A 72 2.464 15.090 -6.223 1.00 10.00 H new ATOM 0 HA THR A 72 1.959 14.535 -3.367 1.00 10.00 H new ATOM 0 HB THR A 72 2.037 16.945 -2.956 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.887 18.328 -4.654 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.465 17.303 -3.183 1.00 10.00 H new ATOM 0 HG22 THR A 72 4.088 15.662 -2.606 1.00 10.00 H new ATOM 0 HG23 THR A 72 4.558 15.923 -4.302 1.00 10.00 H new ATOM 933 N PRO A 73 -0.458 15.619 -3.571 1.00 10.00 N ATOM 934 CA PRO A 73 -1.882 15.879 -3.811 1.00 10.00 C ATOM 935 C PRO A 73 -2.099 17.113 -4.684 1.00 10.00 C ATOM 936 O PRO A 73 -2.999 17.147 -5.520 1.00 10.00 O ATOM 937 CB PRO A 73 -2.450 16.112 -2.408 1.00 10.00 C ATOM 938 CG PRO A 73 -1.503 15.420 -1.490 1.00 10.00 C ATOM 939 CD PRO A 73 -0.148 15.532 -2.132 1.00 10.00 C ATOM 0 HA PRO A 73 -2.362 15.058 -4.344 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.515 17.176 -2.180 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.457 15.705 -2.317 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.507 15.883 -0.503 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.785 14.376 -1.353 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.390 16.413 -1.783 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.476 14.667 -1.907 1.00 10.00 H new ATOM 947 N ALA A 74 -1.256 18.118 -4.493 1.00 10.00 N ATOM 948 CA ALA A 74 -1.351 19.348 -5.260 1.00 10.00 C ATOM 949 C ALA A 74 -0.835 19.160 -6.683 1.00 10.00 C ATOM 950 O ALA A 74 -1.399 19.706 -7.630 1.00 10.00 O ATOM 951 CB ALA A 74 -0.584 20.456 -4.558 1.00 10.00 C ATOM 0 H ALA A 74 -0.497 18.104 -3.811 1.00 10.00 H new ATOM 0 HA ALA A 74 -2.403 19.627 -5.326 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.660 21.375 -5.139 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -1.005 20.618 -3.566 1.00 10.00 H new ATOM 0 HB3 ALA A 74 0.464 20.171 -4.465 1.00 10.00 H new ATOM 957 N GLN A 75 0.233 18.379 -6.830 1.00 10.00 N ATOM 958 CA GLN A 75 0.823 18.120 -8.141 1.00 10.00 C ATOM 959 C GLN A 75 -0.164 17.411 -9.064 1.00 10.00 C ATOM 960 O GLN A 75 -0.289 17.749 -10.242 1.00 10.00 O ATOM 961 CB GLN A 75 2.089 17.268 -7.988 1.00 10.00 C ATOM 962 CG GLN A 75 2.795 16.981 -9.302 1.00 10.00 C ATOM 963 CD GLN A 75 3.595 18.163 -9.802 1.00 10.00 C ATOM 964 OE1 GLN A 75 4.171 18.917 -9.021 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.623 18.339 -11.110 1.00 10.00 N ATOM 0 H GLN A 75 0.708 17.914 -6.056 1.00 10.00 H new ATOM 0 HA GLN A 75 1.080 19.080 -8.588 1.00 10.00 H new ATOM 0 HB2 GLN A 75 2.781 17.778 -7.318 1.00 10.00 H new ATOM 0 HB3 GLN A 75 1.825 16.323 -7.514 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.458 16.126 -9.175 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.057 16.702 -10.054 1.00 10.00 H new ATOM 0 HE21 GLN A 75 3.131 17.689 -11.723 1.00 10.00 H new ATOM 0 HE22 GLN A 75 4.137 19.125 -11.508 1.00 10.00 H new ATOM 974 N LEU A 76 -0.874 16.432 -8.517 1.00 10.00 N ATOM 975 CA LEU A 76 -1.841 15.669 -9.294 1.00 10.00 C ATOM 976 C LEU A 76 -3.220 16.320 -9.268 1.00 10.00 C ATOM 977 O LEU A 76 -4.174 15.780 -9.835 1.00 10.00 O ATOM 978 CB LEU A 76 -1.929 14.236 -8.769 1.00 10.00 C ATOM 979 CG LEU A 76 -0.685 13.378 -9.004 1.00 10.00 C ATOM 980 CD1 LEU A 76 -0.874 11.996 -8.404 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.376 13.273 -10.491 1.00 10.00 C ATOM 0 H LEU A 76 -0.798 16.149 -7.540 1.00 10.00 H new ATOM 0 HA LEU A 76 -1.497 15.654 -10.328 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.130 14.270 -7.698 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -2.782 13.746 -9.238 1.00 10.00 H new ATOM 0 HG LEU A 76 0.160 13.859 -8.512 1.00 10.00 H new ATOM 0 HD11 LEU A 76 0.020 11.398 -8.580 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.046 12.085 -7.331 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -1.732 11.511 -8.870 1.00 10.00 H new ATOM 0 HD21 LEU A 76 0.513 12.658 -10.635 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.221 12.816 -11.007 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.198 14.269 -10.897 1.00 10.00 H new ATOM 993 N GLU A 77 -3.313 17.477 -8.611 1.00 10.00 N ATOM 994 CA GLU A 77 -4.566 18.223 -8.500 1.00 10.00 C ATOM 995 C GLU A 77 -5.676 17.364 -7.895 1.00 10.00 C ATOM 996 O GLU A 77 -6.769 17.234 -8.458 1.00 10.00 O ATOM 997 CB GLU A 77 -4.987 18.773 -9.865 1.00 10.00 C ATOM 998 CG GLU A 77 -4.138 19.946 -10.329 1.00 10.00 C ATOM 999 CD GLU A 77 -4.682 20.595 -11.581 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -5.633 21.398 -11.471 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -4.158 20.310 -12.678 1.00 10.00 O ATOM 0 H GLU A 77 -2.524 17.922 -8.142 1.00 10.00 H new ATOM 0 HA GLU A 77 -4.396 19.063 -7.826 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -4.927 17.975 -10.605 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -6.030 19.085 -9.817 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -4.084 20.689 -9.533 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -3.120 19.603 -10.514 1.00 10.00 H new ATOM 1008 N MET A 78 -5.384 16.785 -6.743 1.00 10.00 N ATOM 1009 CA MET A 78 -6.339 15.945 -6.042 1.00 10.00 C ATOM 1010 C MET A 78 -7.231 16.812 -5.168 1.00 10.00 C ATOM 1011 O MET A 78 -6.768 17.795 -4.584 1.00 10.00 O ATOM 1012 CB MET A 78 -5.613 14.906 -5.185 1.00 10.00 C ATOM 1013 CG MET A 78 -4.551 14.136 -5.947 1.00 10.00 C ATOM 1014 SD MET A 78 -3.557 13.075 -4.879 1.00 10.00 S ATOM 1015 CE MET A 78 -4.721 11.762 -4.529 1.00 10.00 C ATOM 0 H MET A 78 -4.485 16.883 -6.270 1.00 10.00 H new ATOM 0 HA MET A 78 -6.951 15.418 -6.774 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.149 15.406 -4.335 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.343 14.203 -4.782 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.030 13.526 -6.713 1.00 10.00 H new ATOM 0 HG3 MET A 78 -3.897 14.840 -6.462 1.00 10.00 H new ATOM 0 HE1 MET A 78 -4.976 11.775 -3.469 1.00 10.00 H new ATOM 0 HE2 MET A 78 -5.624 11.909 -5.122 1.00 10.00 H new ATOM 0 HE3 MET A 78 -4.273 10.801 -4.783 1.00 10.00 H new ATOM 1025 N GLU A 79 -8.500 16.457 -5.077 1.00 10.00 N ATOM 1026 CA GLU A 79 -9.433 17.231 -4.277 1.00 10.00 C ATOM 1027 C GLU A 79 -9.913 16.441 -3.074 1.00 10.00 C ATOM 1028 O GLU A 79 -9.587 15.262 -2.914 1.00 10.00 O ATOM 1029 CB GLU A 79 -10.630 17.676 -5.116 1.00 10.00 C ATOM 1030 CG GLU A 79 -10.600 19.154 -5.479 1.00 10.00 C ATOM 1031 CD GLU A 79 -10.027 20.023 -4.374 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -10.449 19.882 -3.205 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -9.145 20.852 -4.668 1.00 10.00 O ATOM 0 H GLU A 79 -8.906 15.645 -5.542 1.00 10.00 H new ATOM 0 HA GLU A 79 -8.903 18.115 -3.921 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -10.662 17.086 -6.032 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -11.548 17.463 -4.568 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -10.008 19.289 -6.384 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -11.612 19.487 -5.708 1.00 10.00 H new ATOM 1040 N ASP A 80 -10.678 17.105 -2.224 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.222 16.474 -1.034 1.00 10.00 C ATOM 1042 C ASP A 80 -12.175 15.359 -1.438 1.00 10.00 C ATOM 1043 O ASP A 80 -12.968 15.524 -2.365 1.00 10.00 O ATOM 1044 CB ASP A 80 -11.944 17.511 -0.168 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.031 17.108 1.295 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -12.816 17.738 2.037 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.306 16.180 1.712 1.00 10.00 O ATOM 0 H ASP A 80 -10.937 18.085 -2.337 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.407 16.048 -0.449 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.424 18.466 -0.246 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -12.951 17.664 -0.557 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.059 14.222 -0.756 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.884 13.043 -1.019 1.00 10.00 C ATOM 1054 C GLU A 81 -12.521 12.390 -2.351 1.00 10.00 C ATOM 1055 O GLU A 81 -13.382 11.847 -3.049 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.380 13.380 -0.969 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.885 13.677 0.433 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.372 13.444 0.578 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -17.147 14.412 0.440 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.774 12.290 0.830 1.00 10.00 O ATOM 0 H GLU A 81 -11.386 14.091 -0.001 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.676 12.324 -0.226 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.572 14.243 -1.607 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.947 12.546 -1.382 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.352 13.050 1.148 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.657 14.713 0.685 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.237 12.437 -2.703 1.00 10.00 N ATOM 1068 CA ASP A 82 -10.763 11.817 -3.937 1.00 10.00 C ATOM 1069 C ASP A 82 -10.638 10.312 -3.720 1.00 10.00 C ATOM 1070 O ASP A 82 -10.715 9.843 -2.581 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.419 12.407 -4.383 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.300 12.497 -5.894 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.609 11.496 -6.581 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -8.908 13.570 -6.405 1.00 10.00 O ATOM 0 H ASP A 82 -10.510 12.896 -2.154 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.484 12.019 -4.730 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.301 13.401 -3.952 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.608 11.792 -3.993 1.00 10.00 H new ATOM 1079 N THR A 83 -10.433 9.555 -4.782 1.00 10.00 N ATOM 1080 CA THR A 83 -10.334 8.107 -4.660 1.00 10.00 C ATOM 1081 C THR A 83 -9.037 7.558 -5.254 1.00 10.00 C ATOM 1082 O THR A 83 -8.616 7.957 -6.342 1.00 10.00 O ATOM 1083 CB THR A 83 -11.534 7.417 -5.334 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.735 8.145 -5.045 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.686 5.980 -4.853 1.00 10.00 C ATOM 0 H THR A 83 -10.332 9.912 -5.732 1.00 10.00 H new ATOM 0 HA THR A 83 -10.335 7.888 -3.592 1.00 10.00 H new ATOM 0 HB THR A 83 -11.356 7.403 -6.409 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.497 7.704 -5.477 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.542 5.520 -5.347 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.783 5.419 -5.093 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.842 5.972 -3.774 1.00 10.00 H new ATOM 1093 N ILE A 84 -8.413 6.649 -4.518 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.178 6.001 -4.944 1.00 10.00 C ATOM 1095 C ILE A 84 -7.364 4.490 -4.871 1.00 10.00 C ATOM 1096 O ILE A 84 -7.970 3.989 -3.920 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.982 6.406 -4.051 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.903 7.929 -3.901 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.679 5.859 -4.620 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.853 8.388 -2.907 1.00 10.00 C ATOM 0 H ILE A 84 -8.749 6.339 -3.606 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.961 6.318 -5.964 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.137 5.974 -3.062 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.688 8.371 -4.874 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.877 8.306 -3.588 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.849 6.154 -3.978 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.731 4.771 -4.668 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.523 6.259 -5.622 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.854 9.477 -2.853 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -5.078 7.976 -1.923 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.871 8.042 -3.229 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.861 3.772 -5.863 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.997 2.320 -5.878 1.00 10.00 C ATOM 1114 C ASP A 85 -5.659 1.646 -5.617 1.00 10.00 C ATOM 1115 O ASP A 85 -4.600 2.212 -5.909 1.00 10.00 O ATOM 1116 CB ASP A 85 -7.572 1.838 -7.208 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.469 0.631 -7.025 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -7.967 -0.434 -6.619 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -9.690 0.750 -7.274 1.00 10.00 O ATOM 0 H ASP A 85 -6.360 4.163 -6.661 1.00 10.00 H new ATOM 0 HA ASP A 85 -7.688 2.046 -5.080 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -8.138 2.645 -7.674 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.757 1.587 -7.887 1.00 10.00 H new ATOM 1124 N VAL A 86 -5.714 0.437 -5.071 1.00 10.00 N ATOM 1125 CA VAL A 86 -4.514 -0.323 -4.751 1.00 10.00 C ATOM 1126 C VAL A 86 -4.599 -1.729 -5.327 1.00 10.00 C ATOM 1127 O VAL A 86 -5.419 -2.542 -4.892 1.00 10.00 O ATOM 1128 CB VAL A 86 -4.290 -0.429 -3.226 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -2.932 -1.044 -2.930 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -4.417 0.929 -2.565 1.00 10.00 C ATOM 0 H VAL A 86 -6.585 -0.040 -4.839 1.00 10.00 H new ATOM 0 HA VAL A 86 -3.675 0.214 -5.195 1.00 10.00 H new ATOM 0 HB VAL A 86 -5.061 -1.079 -2.813 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -2.790 -1.111 -1.851 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -2.882 -2.042 -3.366 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -2.149 -0.420 -3.361 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -4.255 0.828 -1.492 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.673 1.608 -2.982 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -5.415 1.330 -2.745 1.00 10.00 H new ATOM 1140 N PHE A 87 -3.755 -2.007 -6.302 1.00 10.00 N ATOM 1141 CA PHE A 87 -3.713 -3.315 -6.934 1.00 10.00 C ATOM 1142 C PHE A 87 -2.467 -4.062 -6.484 1.00 10.00 C ATOM 1143 O PHE A 87 -1.636 -3.510 -5.758 1.00 10.00 O ATOM 1144 CB PHE A 87 -3.723 -3.176 -8.458 1.00 10.00 C ATOM 1145 CG PHE A 87 -4.968 -2.526 -8.992 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -6.164 -3.222 -9.037 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.940 -1.222 -9.453 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -7.310 -2.627 -9.527 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -6.081 -0.621 -9.944 1.00 10.00 C ATOM 1150 CZ PHE A 87 -7.268 -1.324 -9.984 1.00 10.00 C ATOM 0 H PHE A 87 -3.082 -1.338 -6.678 1.00 10.00 H new ATOM 0 HA PHE A 87 -4.597 -3.878 -6.635 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -2.856 -2.592 -8.767 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -3.618 -4.164 -8.906 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -6.201 -4.242 -8.685 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -4.014 -0.667 -9.428 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -8.238 -3.180 -9.553 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -6.045 0.399 -10.297 1.00 10.00 H new ATOM 0 HZ PHE A 87 -8.161 -0.857 -10.371 1.00 10.00 H new ATOM 1160 N GLN A 88 -2.333 -5.308 -6.908 1.00 10.00 N ATOM 1161 CA GLN A 88 -1.177 -6.111 -6.540 1.00 10.00 C ATOM 1162 C GLN A 88 -0.354 -6.461 -7.767 1.00 10.00 C ATOM 1163 O GLN A 88 -0.876 -6.518 -8.885 1.00 10.00 O ATOM 1164 CB GLN A 88 -1.607 -7.388 -5.814 1.00 10.00 C ATOM 1165 CG GLN A 88 -1.785 -7.201 -4.316 1.00 10.00 C ATOM 1166 CD GLN A 88 -1.255 -8.374 -3.512 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -0.318 -9.057 -3.928 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -1.849 -8.622 -2.358 1.00 10.00 N ATOM 0 H GLN A 88 -3.008 -5.785 -7.506 1.00 10.00 H new ATOM 0 HA GLN A 88 -0.561 -5.519 -5.863 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -2.545 -7.742 -6.242 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -0.863 -8.165 -5.990 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -1.272 -6.291 -4.004 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -2.843 -7.063 -4.095 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -2.622 -8.035 -2.046 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -1.534 -9.401 -1.779 1.00 10.00 H new ATOM 1177 N GLN A 89 0.932 -6.677 -7.547 1.00 10.00 N ATOM 1178 CA GLN A 89 1.854 -7.027 -8.613 1.00 10.00 C ATOM 1179 C GLN A 89 1.719 -8.501 -8.970 1.00 10.00 C ATOM 1180 O GLN A 89 1.559 -9.354 -8.096 1.00 10.00 O ATOM 1181 CB GLN A 89 3.293 -6.708 -8.187 1.00 10.00 C ATOM 1182 CG GLN A 89 4.348 -7.065 -9.226 1.00 10.00 C ATOM 1183 CD GLN A 89 4.110 -6.398 -10.564 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.558 -5.301 -10.640 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.532 -7.057 -11.629 1.00 10.00 N ATOM 0 H GLN A 89 1.365 -6.615 -6.626 1.00 10.00 H new ATOM 0 HA GLN A 89 1.610 -6.437 -9.496 1.00 10.00 H new ATOM 0 HB2 GLN A 89 3.366 -5.644 -7.963 1.00 10.00 H new ATOM 0 HB3 GLN A 89 3.513 -7.244 -7.264 1.00 10.00 H new ATOM 0 HG2 GLN A 89 5.330 -6.777 -8.852 1.00 10.00 H new ATOM 0 HG3 GLN A 89 4.364 -8.146 -9.363 1.00 10.00 H new ATOM 0 HE21 GLN A 89 4.985 -7.964 -11.521 1.00 10.00 H new ATOM 0 HE22 GLN A 89 4.405 -6.658 -12.559 1.00 10.00 H new ATOM 1194 N GLN A 90 1.770 -8.787 -10.261 1.00 10.00 N ATOM 1195 CA GLN A 90 1.662 -10.150 -10.756 1.00 10.00 C ATOM 1196 C GLN A 90 2.847 -10.980 -10.277 1.00 10.00 C ATOM 1197 O GLN A 90 4.004 -10.615 -10.498 1.00 10.00 O ATOM 1198 CB GLN A 90 1.600 -10.160 -12.289 1.00 10.00 C ATOM 1199 CG GLN A 90 0.311 -9.584 -12.866 1.00 10.00 C ATOM 1200 CD GLN A 90 0.188 -8.081 -12.681 1.00 10.00 C ATOM 1201 OE1 GLN A 90 1.188 -7.362 -12.609 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -1.040 -7.591 -12.606 1.00 10.00 N ATOM 0 H GLN A 90 1.887 -8.085 -10.992 1.00 10.00 H new ATOM 0 HA GLN A 90 0.743 -10.587 -10.366 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.445 -9.593 -12.679 1.00 10.00 H new ATOM 0 HB3 GLN A 90 1.715 -11.186 -12.640 1.00 10.00 H new ATOM 0 HG2 GLN A 90 0.261 -9.817 -13.930 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -0.541 -10.072 -12.392 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -1.843 -8.216 -12.670 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -1.182 -6.588 -12.485 1.00 10.00 H new ATOM 1211 N THR A 91 2.550 -12.085 -9.606 1.00 10.00 N ATOM 1212 CA THR A 91 3.578 -12.973 -9.081 1.00 10.00 C ATOM 1213 C THR A 91 4.130 -13.896 -10.165 1.00 10.00 C ATOM 1214 O THR A 91 5.167 -14.538 -9.981 1.00 10.00 O ATOM 1215 CB THR A 91 3.015 -13.826 -7.932 1.00 10.00 C ATOM 1216 OG1 THR A 91 1.583 -13.882 -8.034 1.00 10.00 O ATOM 1217 CG2 THR A 91 3.415 -13.256 -6.580 1.00 10.00 C ATOM 0 H THR A 91 1.596 -12.389 -9.411 1.00 10.00 H new ATOM 0 HA THR A 91 4.389 -12.346 -8.712 1.00 10.00 H new ATOM 0 HB THR A 91 3.430 -14.831 -8.012 1.00 10.00 H new ATOM 0 HG1 THR A 91 1.224 -14.427 -7.303 1.00 10.00 H new ATOM 0 HG21 THR A 91 3.003 -13.879 -5.786 1.00 10.00 H new ATOM 0 HG22 THR A 91 4.502 -13.238 -6.500 1.00 10.00 H new ATOM 0 HG23 THR A 91 3.027 -12.242 -6.483 1.00 10.00 H new ATOM 1225 N GLY A 92 3.421 -13.972 -11.285 1.00 10.00 N ATOM 1226 CA GLY A 92 3.853 -14.811 -12.378 1.00 10.00 C ATOM 1227 C GLY A 92 3.045 -14.559 -13.631 1.00 10.00 C ATOM 1228 O GLY A 92 1.841 -14.248 -13.511 1.00 10.00 O ATOM 0 H GLY A 92 2.552 -13.464 -11.452 1.00 10.00 H new ATOM 0 HA2 GLY A 92 4.908 -14.628 -12.582 1.00 10.00 H new ATOM 0 HA3 GLY A 92 3.761 -15.858 -12.091 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -18.699 -3.887 5.555 1.00 10.00 N ATOM 1234 CA ASN B 357 -18.067 -2.553 5.583 1.00 10.00 C ATOM 1235 C ASN B 357 -16.937 -2.514 6.596 1.00 10.00 C ATOM 1236 O ASN B 357 -17.151 -2.729 7.787 1.00 10.00 O ATOM 1237 CB ASN B 357 -19.102 -1.482 5.938 1.00 10.00 C ATOM 1238 CG ASN B 357 -18.542 -0.073 5.820 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -17.728 0.208 4.937 1.00 10.00 O ATOM 1240 ND2 ASN B 357 -18.965 0.823 6.704 1.00 10.00 N ATOM 0 HA ASN B 357 -17.662 -2.352 4.591 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -19.966 -1.583 5.281 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -19.456 -1.645 6.956 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -18.616 1.781 6.667 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -19.639 0.554 7.420 1.00 10.00 H new ATOM 1247 N ASN B 358 -15.739 -2.226 6.120 1.00 10.00 N ATOM 1248 CA ASN B 358 -14.575 -2.137 6.986 1.00 10.00 C ATOM 1249 C ASN B 358 -14.025 -0.724 6.919 1.00 10.00 C ATOM 1250 O ASN B 358 -13.747 -0.217 5.835 1.00 10.00 O ATOM 1251 CB ASN B 358 -13.500 -3.148 6.552 1.00 10.00 C ATOM 1252 CG ASN B 358 -12.241 -3.081 7.400 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -12.289 -2.743 8.585 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -11.105 -3.412 6.800 1.00 10.00 N ATOM 0 H ASN B 358 -15.545 -2.049 5.134 1.00 10.00 H new ATOM 0 HA ASN B 358 -14.864 -2.373 8.010 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -13.914 -4.155 6.606 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -13.239 -2.966 5.510 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -10.228 -3.392 7.321 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -11.108 -3.686 5.818 1.00 10.00 H new ATOM 1261 N ARG B 359 -13.857 -0.103 8.069 1.00 10.00 N ATOM 1262 CA ARG B 359 -13.341 1.248 8.107 1.00 10.00 C ATOM 1263 C ARG B 359 -12.062 1.288 8.913 1.00 10.00 C ATOM 1264 O ARG B 359 -12.020 0.864 10.069 1.00 10.00 O ATOM 1265 CB ARG B 359 -14.380 2.212 8.693 1.00 10.00 C ATOM 1266 CG ARG B 359 -15.024 1.732 9.989 1.00 10.00 C ATOM 1267 CD ARG B 359 -16.073 2.713 10.486 1.00 10.00 C ATOM 1268 NE ARG B 359 -16.679 2.283 11.743 1.00 10.00 N ATOM 1269 CZ ARG B 359 -17.753 2.849 12.289 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -18.356 3.870 11.693 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -18.224 2.391 13.440 1.00 10.00 N ATOM 0 H ARG B 359 -14.068 -0.508 8.981 1.00 10.00 H new ATOM 0 HA ARG B 359 -13.125 1.568 7.088 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -13.903 3.175 8.874 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -15.162 2.378 7.952 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -15.483 0.757 9.829 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -14.256 1.601 10.752 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.616 3.693 10.622 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -16.850 2.825 9.730 1.00 10.00 H new ATOM 0 HE ARG B 359 -16.252 1.498 12.235 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -17.997 4.228 10.808 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -19.178 4.296 12.120 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -17.764 1.608 13.904 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -19.047 2.822 13.862 1.00 10.00 H new ATOM 1285 N ASP B 360 -11.031 1.798 8.286 1.00 10.00 N ATOM 1286 CA ASP B 360 -9.724 1.917 8.900 1.00 10.00 C ATOM 1287 C ASP B 360 -9.299 3.370 8.845 1.00 10.00 C ATOM 1288 O ASP B 360 -9.504 4.031 7.834 1.00 10.00 O ATOM 1289 CB ASP B 360 -8.703 1.016 8.209 1.00 10.00 C ATOM 1290 CG ASP B 360 -7.702 0.426 9.181 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.694 1.097 9.490 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -7.924 -0.712 9.650 1.00 10.00 O ATOM 0 H ASP B 360 -11.071 2.146 7.328 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.778 1.590 9.939 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -9.224 0.209 7.694 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -8.173 1.589 7.449 1.00 10.00 H new ATOM 1297 N PRO B 361 -8.733 3.921 9.908 1.00 10.00 N ATOM 1298 CA PRO B 361 -8.347 5.308 9.917 1.00 10.00 C ATOM 1299 C PRO B 361 -6.840 5.481 9.848 1.00 10.00 C ATOM 1300 O PRO B 361 -6.089 4.962 10.669 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.858 5.720 11.295 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.684 4.490 12.157 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.499 3.307 11.220 1.00 10.00 C ATOM 0 HA PRO B 361 -8.733 5.882 9.074 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -8.292 6.563 11.691 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.902 6.029 11.253 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -7.821 4.599 12.814 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.554 4.342 12.796 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.500 2.877 11.297 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -9.208 2.506 11.428 1.00 10.00 H new ATOM 1311 N ILE B 362 -6.403 6.274 8.885 1.00 10.00 N ATOM 1312 CA ILE B 362 -4.992 6.477 8.675 1.00 10.00 C ATOM 1313 C ILE B 362 -4.628 7.928 8.892 1.00 10.00 C ATOM 1314 O ILE B 362 -5.273 8.839 8.374 1.00 10.00 O ATOM 1315 CB ILE B 362 -4.548 6.041 7.258 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -5.088 4.639 6.932 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -3.028 6.070 7.144 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -4.488 4.027 5.684 1.00 10.00 C ATOM 0 H ILE B 362 -7.008 6.784 8.241 1.00 10.00 H new ATOM 0 HA ILE B 362 -4.469 5.854 9.401 1.00 10.00 H new ATOM 0 HB ILE B 362 -4.961 6.744 6.535 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -4.894 3.980 7.778 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -6.170 4.695 6.813 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -2.732 5.761 6.141 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -2.668 7.081 7.333 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -2.595 5.389 7.876 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -4.918 3.039 5.520 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -4.704 4.664 4.826 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -3.409 3.937 5.806 1.00 10.00 H new ATOM 1330 N VAL B 363 -3.588 8.126 9.670 1.00 10.00 N ATOM 1331 CA VAL B 363 -3.114 9.452 9.985 1.00 10.00 C ATOM 1332 C VAL B 363 -1.710 9.620 9.449 1.00 10.00 C ATOM 1333 O VAL B 363 -0.871 8.730 9.573 1.00 10.00 O ATOM 1334 CB VAL B 363 -3.136 9.740 11.500 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.660 11.156 11.791 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.528 9.530 12.068 1.00 10.00 C ATOM 0 H VAL B 363 -3.049 7.374 10.100 1.00 10.00 H new ATOM 0 HA VAL B 363 -3.788 10.167 9.514 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.454 9.040 11.982 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.685 11.334 12.866 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.640 11.279 11.426 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.314 11.870 11.290 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.520 9.739 13.138 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -5.228 10.202 11.572 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.837 8.498 11.902 1.00 10.00 H new ATOM 1346 N ILE B 364 -1.480 10.757 8.846 1.00 10.00 N ATOM 1347 CA ILE B 364 -0.201 11.082 8.261 1.00 10.00 C ATOM 1348 C ILE B 364 0.420 12.191 9.072 1.00 10.00 C ATOM 1349 O ILE B 364 -0.279 13.080 9.568 1.00 10.00 O ATOM 1350 CB ILE B 364 -0.313 11.486 6.766 1.00 10.00 C ATOM 1351 CG1 ILE B 364 0.629 10.633 5.913 1.00 10.00 C ATOM 1352 CG2 ILE B 364 -0.004 12.966 6.548 1.00 10.00 C ATOM 1353 CD1 ILE B 364 0.577 9.161 6.251 1.00 10.00 C ATOM 0 H ILE B 364 -2.180 11.492 8.745 1.00 10.00 H new ATOM 0 HA ILE B 364 0.429 10.193 8.284 1.00 10.00 H new ATOM 0 HB ILE B 364 -1.345 11.311 6.461 1.00 10.00 H new ATOM 0 HG12 ILE B 364 0.375 10.766 4.861 1.00 10.00 H new ATOM 0 HG13 ILE B 364 1.650 10.992 6.043 1.00 10.00 H new ATOM 0 HG21 ILE B 364 -0.094 13.204 5.488 1.00 10.00 H new ATOM 0 HG22 ILE B 364 -0.708 13.572 7.118 1.00 10.00 H new ATOM 0 HG23 ILE B 364 1.011 13.179 6.882 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.269 8.616 5.609 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.859 9.017 7.294 1.00 10.00 H new ATOM 0 HD13 ILE B 364 -0.435 8.787 6.094 1.00 10.00 H new HETATM 1365 N SEP B 365 1.717 12.127 9.237 1.00 10.00 N HETATM 1366 CA SEP B 365 2.407 13.099 10.034 1.00 10.00 C HETATM 1367 CB SEP B 365 3.433 12.403 10.943 1.00 10.00 C HETATM 1368 OG SEP B 365 3.301 10.986 10.890 1.00 10.00 O HETATM 1369 C SEP B 365 3.100 14.052 9.097 1.00 10.00 C HETATM 1370 O SEP B 365 3.736 13.649 8.124 1.00 10.00 O HETATM 1371 P SEP B 365 4.193 10.114 9.885 1.00 10.00 P HETATM 1372 O1P SEP B 365 4.411 8.721 10.328 1.00 10.00 O HETATM 1373 O2P SEP B 365 5.424 10.781 9.416 1.00 10.00 O HETATM 1374 O3P SEP B 365 3.286 9.965 8.574 1.00 10.00 O HETATM 0 HB3 SEP B 365 4.441 12.687 10.640 1.00 10.00 H new HETATM 0 HB2 SEP B 365 3.301 12.744 11.970 1.00 10.00 H new HETATM 0 HA SEP B 365 1.706 13.639 10.671 1.00 10.00 H new HETATM 0 H SEP B 365 1.944 11.137 9.330 1.00 10.00 H new ATOM 1379 N ASP B 366 2.908 15.327 9.365 1.00 10.00 N ATOM 1380 CA ASP B 366 3.443 16.365 8.524 1.00 10.00 C ATOM 1381 C ASP B 366 4.450 17.204 9.283 1.00 10.00 C ATOM 1382 O ASP B 366 4.169 17.707 10.374 1.00 10.00 O ATOM 1383 CB ASP B 366 2.279 17.234 8.048 1.00 10.00 C ATOM 1384 CG ASP B 366 2.661 18.219 6.975 1.00 10.00 C ATOM 1385 OD1 ASP B 366 2.333 19.417 7.125 1.00 10.00 O ATOM 1386 OD2 ASP B 366 3.250 17.801 5.962 1.00 10.00 O ATOM 0 H ASP B 366 2.379 15.667 10.168 1.00 10.00 H new ATOM 0 HA ASP B 366 3.959 15.923 7.671 1.00 10.00 H new ATOM 0 HB2 ASP B 366 1.485 16.589 7.671 1.00 10.00 H new ATOM 0 HB3 ASP B 366 1.870 17.778 8.900 1.00 10.00 H new HETATM 1391 N SEP B 367 5.620 17.333 8.696 1.00 10.00 N HETATM 1392 CA SEP B 367 6.691 18.101 9.279 1.00 10.00 C HETATM 1393 CB SEP B 367 8.027 17.620 8.705 1.00 10.00 C HETATM 1394 OG SEP B 367 8.266 16.245 9.030 1.00 10.00 O HETATM 1395 C SEP B 367 6.469 19.588 9.005 1.00 10.00 C HETATM 1396 O SEP B 367 6.268 19.989 7.856 1.00 10.00 O HETATM 1397 P SEP B 367 7.971 15.092 7.953 1.00 10.00 P HETATM 1398 O1P SEP B 367 6.618 15.128 7.372 1.00 10.00 O HETATM 1399 O2P SEP B 367 9.034 14.918 6.949 1.00 10.00 O HETATM 1400 O3P SEP B 367 7.996 13.729 8.790 1.00 10.00 O HETATM 0 HB3 SEP B 367 8.027 17.746 7.622 1.00 10.00 H new HETATM 0 HB2 SEP B 367 8.837 18.235 9.097 1.00 10.00 H new HETATM 0 HA SEP B 367 6.709 17.959 10.360 1.00 10.00 H new HETATM 0 H SEP B 367 5.828 16.603 8.014 1.00 10.00 H new ATOM 1405 N PRO B 368 6.468 20.416 10.064 1.00 10.00 N ATOM 1406 CA PRO B 368 6.254 21.861 9.946 1.00 10.00 C ATOM 1407 C PRO B 368 7.196 22.513 8.934 1.00 10.00 C ATOM 1408 O PRO B 368 6.695 23.064 7.931 1.00 10.00 O ATOM 1409 CB PRO B 368 6.521 22.396 11.360 1.00 10.00 C ATOM 1410 CG PRO B 368 7.149 21.271 12.113 1.00 10.00 C ATOM 1411 CD PRO B 368 6.673 20.008 11.463 1.00 10.00 C ATOM 0 HA PRO B 368 5.252 22.087 9.582 1.00 10.00 H new ATOM 0 HB2 PRO B 368 7.181 23.263 11.331 1.00 10.00 H new ATOM 0 HB3 PRO B 368 5.595 22.716 11.837 1.00 10.00 H new ATOM 0 HG2 PRO B 368 8.236 21.340 12.078 1.00 10.00 H new ATOM 0 HG3 PRO B 368 6.861 21.299 13.164 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.409 19.208 11.547 1.00 10.00 H new ATOM 0 HD3 PRO B 368 5.752 19.643 11.917 1.00 10.00 H new TER 1419 PRO B 368