USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 668 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 45 THR OG1 : rot -130:sc= 0.644 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -118:sc= 0.665 (180deg=-0.252) USER MOD Single : A 2 ASN : amide:sc= 0.0622 K(o=0.062,f=0.6) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 1.22 (180deg=0.931) USER MOD Single : A 17 TYR OH : rot -132:sc= 1.17 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 25 HIS : no HD1:sc= 1.15 K(o=1.1,f=-5.4!) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1.25 (180deg=1.12) USER MOD Single : A 32 TYR OH : rot 180:sc= 0.97 USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 0.717 (180deg=0.497) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= 1.25 (180deg=1.05) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 0.974 (180deg=0.754) USER MOD Single : A 75 LYS NZ :NH3+ 145:sc= 0 (180deg=-1.26) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 129:sc= 1.24 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 89:sc= 1.35 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.167 K(o=-0.17,f=-0.76) USER MOD Single : A 95 LYS NZ :NH3+ -167:sc= -0.0529 (180deg=-0.353) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= -0.0209 (180deg=-0.282) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 80.568 -10.287 -5.754 1.00 0.00 N ATOM 21 CA ASN A 2 81.842 -10.376 -6.451 1.00 0.00 C ATOM 22 C ASN A 2 82.372 -8.979 -6.722 1.00 0.00 C ATOM 23 O ASN A 2 81.664 -7.992 -6.511 1.00 0.00 O ATOM 24 CB ASN A 2 81.710 -11.128 -7.783 1.00 0.00 C ATOM 25 CG ASN A 2 81.387 -12.604 -7.627 1.00 0.00 C ATOM 26 OD1 ASN A 2 80.645 -13.010 -6.734 1.00 0.00 O ATOM 27 ND2 ASN A 2 81.968 -13.419 -8.490 1.00 0.00 N ATOM 0 HA ASN A 2 82.531 -10.929 -5.813 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.929 -10.656 -8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.641 -11.027 -8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 2 81.807 -14.424 -8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 2 82.577 -13.043 -9.217 1.00 0.00 H new ATOM 34 N SER A 3 83.602 -8.896 -7.208 1.00 0.00 N ATOM 35 CA SER A 3 84.188 -7.619 -7.592 1.00 0.00 C ATOM 36 C SER A 3 83.406 -7.011 -8.752 1.00 0.00 C ATOM 37 O SER A 3 83.343 -5.792 -8.906 1.00 0.00 O ATOM 38 CB SER A 3 85.658 -7.806 -7.973 1.00 0.00 C ATOM 39 OG SER A 3 85.807 -8.844 -8.926 1.00 0.00 O ATOM 0 H SER A 3 84.215 -9.699 -7.346 1.00 0.00 H new ATOM 0 HA SER A 3 84.136 -6.936 -6.744 1.00 0.00 H new ATOM 0 HB2 SER A 3 86.053 -6.875 -8.379 1.00 0.00 H new ATOM 0 HB3 SER A 3 86.242 -8.039 -7.082 1.00 0.00 H new ATOM 0 HG SER A 3 86.755 -8.944 -9.155 1.00 0.00 H new ATOM 45 N GLU A 4 82.799 -7.881 -9.558 1.00 0.00 N ATOM 46 CA GLU A 4 81.933 -7.457 -10.648 1.00 0.00 C ATOM 47 C GLU A 4 80.731 -6.696 -10.095 1.00 0.00 C ATOM 48 O GLU A 4 80.350 -5.650 -10.616 1.00 0.00 O ATOM 49 CB GLU A 4 81.462 -8.679 -11.437 1.00 0.00 C ATOM 50 CG GLU A 4 80.704 -8.334 -12.706 1.00 0.00 C ATOM 51 CD GLU A 4 80.086 -9.550 -13.352 1.00 0.00 C ATOM 52 OE1 GLU A 4 80.818 -10.527 -13.610 1.00 0.00 O ATOM 53 OE2 GLU A 4 78.862 -9.543 -13.591 1.00 0.00 O ATOM 0 H GLU A 4 82.895 -8.893 -9.472 1.00 0.00 H new ATOM 0 HA GLU A 4 82.491 -6.797 -11.312 1.00 0.00 H new ATOM 0 HB2 GLU A 4 82.328 -9.288 -11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.823 -9.289 -10.798 1.00 0.00 H new ATOM 0 HG2 GLU A 4 79.922 -7.611 -12.474 1.00 0.00 H new ATOM 0 HG3 GLU A 4 81.382 -7.855 -13.413 1.00 0.00 H new ATOM 60 N VAL A 5 80.158 -7.227 -9.019 1.00 0.00 N ATOM 61 CA VAL A 5 79.044 -6.582 -8.335 1.00 0.00 C ATOM 62 C VAL A 5 79.474 -5.216 -7.809 1.00 0.00 C ATOM 63 O VAL A 5 78.727 -4.239 -7.878 1.00 0.00 O ATOM 64 CB VAL A 5 78.532 -7.452 -7.164 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.394 -6.766 -6.424 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.094 -8.819 -7.666 1.00 0.00 C ATOM 0 H VAL A 5 80.451 -8.110 -8.600 1.00 0.00 H new ATOM 0 HA VAL A 5 78.233 -6.457 -9.053 1.00 0.00 H new ATOM 0 HB VAL A 5 79.355 -7.586 -6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.056 -7.403 -5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 5 77.742 -5.814 -6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.567 -6.589 -7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.737 -9.417 -6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.292 -8.699 -8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.939 -9.322 -8.136 1.00 0.00 H new ATOM 76 N ILE A 6 80.698 -5.160 -7.299 1.00 0.00 N ATOM 77 CA ILE A 6 81.268 -3.915 -6.810 1.00 0.00 C ATOM 78 C ILE A 6 81.411 -2.912 -7.954 1.00 0.00 C ATOM 79 O ILE A 6 81.114 -1.732 -7.790 1.00 0.00 O ATOM 80 CB ILE A 6 82.643 -4.143 -6.141 1.00 0.00 C ATOM 81 CG1 ILE A 6 82.513 -5.148 -4.992 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.217 -2.825 -5.634 1.00 0.00 C ATOM 83 CD1 ILE A 6 83.825 -5.461 -4.306 1.00 0.00 C ATOM 0 H ILE A 6 81.316 -5.967 -7.214 1.00 0.00 H new ATOM 0 HA ILE A 6 80.587 -3.515 -6.059 1.00 0.00 H new ATOM 0 HB ILE A 6 83.327 -4.551 -6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 6 81.813 -4.755 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.085 -6.073 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.185 -3.006 -5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.341 -2.137 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 6 82.536 -2.389 -4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 6 83.654 -6.179 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 6 84.522 -5.884 -5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.245 -4.546 -3.890 1.00 0.00 H new ATOM 95 N LYS A 7 81.850 -3.396 -9.115 1.00 0.00 N ATOM 96 CA LYS A 7 81.971 -2.556 -10.307 1.00 0.00 C ATOM 97 C LYS A 7 80.648 -1.874 -10.623 1.00 0.00 C ATOM 98 O LYS A 7 80.599 -0.663 -10.822 1.00 0.00 O ATOM 99 CB LYS A 7 82.412 -3.380 -11.518 1.00 0.00 C ATOM 100 CG LYS A 7 83.840 -3.895 -11.442 1.00 0.00 C ATOM 101 CD LYS A 7 84.198 -4.684 -12.692 1.00 0.00 C ATOM 102 CE LYS A 7 85.661 -5.084 -12.703 1.00 0.00 C ATOM 103 NZ LYS A 7 86.029 -5.791 -13.957 1.00 0.00 N ATOM 0 H LYS A 7 82.128 -4.367 -9.256 1.00 0.00 H new ATOM 0 HA LYS A 7 82.727 -1.799 -10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.738 -4.229 -11.629 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.306 -2.770 -12.415 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.528 -3.057 -11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.957 -4.527 -10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.576 -5.577 -12.749 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.978 -4.085 -13.576 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.282 -4.195 -12.591 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.869 -5.728 -11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 87.062 -5.898 -14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.583 -6.730 -13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.700 -5.240 -14.775 1.00 0.00 H new ATOM 117 N GLU A 8 79.576 -2.660 -10.652 1.00 0.00 N ATOM 118 CA GLU A 8 78.247 -2.139 -10.949 1.00 0.00 C ATOM 119 C GLU A 8 77.834 -1.085 -9.925 1.00 0.00 C ATOM 120 O GLU A 8 77.190 -0.092 -10.264 1.00 0.00 O ATOM 121 CB GLU A 8 77.226 -3.275 -10.974 1.00 0.00 C ATOM 122 CG GLU A 8 77.548 -4.353 -11.996 1.00 0.00 C ATOM 123 CD GLU A 8 76.462 -5.401 -12.095 1.00 0.00 C ATOM 124 OE1 GLU A 8 75.407 -5.109 -12.702 1.00 0.00 O ATOM 125 OE2 GLU A 8 76.650 -6.518 -11.581 1.00 0.00 O ATOM 0 H GLU A 8 79.603 -3.664 -10.473 1.00 0.00 H new ATOM 0 HA GLU A 8 78.278 -1.669 -11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.173 -3.728 -9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.240 -2.863 -11.190 1.00 0.00 H new ATOM 0 HG2 GLU A 8 77.693 -3.891 -12.973 1.00 0.00 H new ATOM 0 HG3 GLU A 8 78.489 -4.834 -11.728 1.00 0.00 H new ATOM 132 N PHE A 9 78.216 -1.306 -8.675 1.00 0.00 N ATOM 133 CA PHE A 9 77.939 -0.357 -7.606 1.00 0.00 C ATOM 134 C PHE A 9 78.746 0.926 -7.813 1.00 0.00 C ATOM 135 O PHE A 9 78.221 2.032 -7.686 1.00 0.00 O ATOM 136 CB PHE A 9 78.274 -0.989 -6.250 1.00 0.00 C ATOM 137 CG PHE A 9 78.020 -0.096 -5.068 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.732 0.107 -4.600 1.00 0.00 C ATOM 139 CD2 PHE A 9 79.072 0.531 -4.417 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.496 0.917 -3.506 1.00 0.00 C ATOM 141 CE2 PHE A 9 78.841 1.345 -3.323 1.00 0.00 C ATOM 142 CZ PHE A 9 77.551 1.538 -2.868 1.00 0.00 C ATOM 0 H PHE A 9 78.722 -2.140 -8.375 1.00 0.00 H new ATOM 0 HA PHE A 9 76.879 -0.102 -7.623 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.688 -1.901 -6.133 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.324 -1.282 -6.249 1.00 0.00 H new ATOM 0 HD1 PHE A 9 75.902 -0.374 -5.096 1.00 0.00 H new ATOM 0 HD2 PHE A 9 80.082 0.382 -4.768 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.487 1.064 -3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 9 79.668 1.829 -2.825 1.00 0.00 H new ATOM 0 HZ PHE A 9 77.368 2.174 -2.014 1.00 0.00 H new ATOM 152 N LEU A 10 80.019 0.760 -8.153 1.00 0.00 N ATOM 153 CA LEU A 10 80.928 1.885 -8.354 1.00 0.00 C ATOM 154 C LEU A 10 80.525 2.711 -9.571 1.00 0.00 C ATOM 155 O LEU A 10 80.529 3.940 -9.522 1.00 0.00 O ATOM 156 CB LEU A 10 82.361 1.378 -8.518 1.00 0.00 C ATOM 157 CG LEU A 10 82.914 0.604 -7.320 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.272 0.010 -7.652 1.00 0.00 C ATOM 159 CD2 LEU A 10 83.013 1.507 -6.103 1.00 0.00 C ATOM 0 H LEU A 10 80.450 -0.153 -8.297 1.00 0.00 H new ATOM 0 HA LEU A 10 80.870 2.527 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.405 0.736 -9.398 1.00 0.00 H new ATOM 0 HB3 LEU A 10 83.012 2.230 -8.713 1.00 0.00 H new ATOM 0 HG LEU A 10 82.228 -0.211 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.651 -0.537 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.175 -0.670 -8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.967 0.810 -7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.408 0.940 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.679 2.342 -6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 10 82.023 1.888 -5.851 1.00 0.00 H new ATOM 171 N GLU A 11 80.176 2.031 -10.657 1.00 0.00 N ATOM 172 CA GLU A 11 79.749 2.702 -11.882 1.00 0.00 C ATOM 173 C GLU A 11 78.436 3.447 -11.666 1.00 0.00 C ATOM 174 O GLU A 11 78.172 4.466 -12.308 1.00 0.00 O ATOM 175 CB GLU A 11 79.583 1.692 -13.020 1.00 0.00 C ATOM 176 CG GLU A 11 80.880 1.029 -13.451 1.00 0.00 C ATOM 177 CD GLU A 11 81.917 2.027 -13.919 1.00 0.00 C ATOM 178 OE1 GLU A 11 81.588 2.879 -14.767 1.00 0.00 O ATOM 179 OE2 GLU A 11 83.071 1.959 -13.451 1.00 0.00 O ATOM 0 H GLU A 11 80.180 1.013 -10.715 1.00 0.00 H new ATOM 0 HA GLU A 11 80.522 3.422 -12.152 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.879 0.921 -12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.142 2.197 -13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.284 0.455 -12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.673 0.322 -14.255 1.00 0.00 H new ATOM 186 N ASP A 12 77.615 2.928 -10.763 1.00 0.00 N ATOM 187 CA ASP A 12 76.325 3.533 -10.465 1.00 0.00 C ATOM 188 C ASP A 12 76.487 4.794 -9.619 1.00 0.00 C ATOM 189 O ASP A 12 75.892 5.829 -9.920 1.00 0.00 O ATOM 190 CB ASP A 12 75.422 2.530 -9.744 1.00 0.00 C ATOM 191 CG ASP A 12 74.082 3.126 -9.362 1.00 0.00 C ATOM 192 OD1 ASP A 12 73.182 3.189 -10.228 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.927 3.537 -8.195 1.00 0.00 O ATOM 0 H ASP A 12 77.821 2.087 -10.223 1.00 0.00 H new ATOM 0 HA ASP A 12 75.862 3.816 -11.410 1.00 0.00 H new ATOM 0 HB2 ASP A 12 75.261 1.664 -10.386 1.00 0.00 H new ATOM 0 HB3 ASP A 12 75.926 2.172 -8.846 1.00 0.00 H new ATOM 198 N ILE A 13 77.292 4.711 -8.563 1.00 0.00 N ATOM 199 CA ILE A 13 77.482 5.851 -7.669 1.00 0.00 C ATOM 200 C ILE A 13 78.433 6.883 -8.272 1.00 0.00 C ATOM 201 O ILE A 13 78.224 8.089 -8.125 1.00 0.00 O ATOM 202 CB ILE A 13 77.996 5.427 -6.273 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.325 4.668 -6.381 1.00 0.00 C ATOM 204 CG2 ILE A 13 76.947 4.581 -5.564 1.00 0.00 C ATOM 205 CD1 ILE A 13 79.944 4.327 -5.044 1.00 0.00 C ATOM 0 H ILE A 13 77.818 3.876 -8.307 1.00 0.00 H new ATOM 0 HA ILE A 13 76.498 6.303 -7.545 1.00 0.00 H new ATOM 0 HB ILE A 13 78.176 6.327 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 13 79.162 3.747 -6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 13 80.030 5.269 -6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.319 4.288 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.031 5.160 -5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.739 3.689 -6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 13 80.880 3.792 -5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.140 5.245 -4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.258 3.699 -4.475 1.00 0.00 H new ATOM 217 N GLY A 14 79.466 6.410 -8.955 1.00 0.00 N ATOM 218 CA GLY A 14 80.407 7.310 -9.586 1.00 0.00 C ATOM 219 C GLY A 14 81.794 7.233 -8.980 1.00 0.00 C ATOM 220 O GLY A 14 82.195 8.112 -8.215 1.00 0.00 O ATOM 0 H GLY A 14 79.668 5.418 -9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 14 80.467 7.078 -10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 14 80.036 8.332 -9.503 1.00 0.00 H new ATOM 224 N GLU A 15 82.520 6.177 -9.310 1.00 0.00 N ATOM 225 CA GLU A 15 83.906 6.036 -8.890 1.00 0.00 C ATOM 226 C GLU A 15 84.768 5.619 -10.075 1.00 0.00 C ATOM 227 O GLU A 15 84.407 4.718 -10.835 1.00 0.00 O ATOM 228 CB GLU A 15 84.037 5.016 -7.749 1.00 0.00 C ATOM 229 CG GLU A 15 85.476 4.598 -7.441 1.00 0.00 C ATOM 230 CD GLU A 15 86.350 5.723 -6.905 1.00 0.00 C ATOM 231 OE1 GLU A 15 86.427 6.793 -7.547 1.00 0.00 O ATOM 232 OE2 GLU A 15 86.978 5.534 -5.841 1.00 0.00 O ATOM 0 H GLU A 15 82.170 5.400 -9.871 1.00 0.00 H new ATOM 0 HA GLU A 15 84.252 7.001 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 15 83.593 5.438 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 15 83.459 4.127 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 15 85.459 3.787 -6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 15 85.930 4.201 -8.349 1.00 0.00 H new ATOM 239 N ASP A 16 85.898 6.289 -10.226 1.00 0.00 N ATOM 240 CA ASP A 16 86.861 5.960 -11.263 1.00 0.00 C ATOM 241 C ASP A 16 88.010 5.184 -10.641 1.00 0.00 C ATOM 242 O ASP A 16 88.829 5.746 -9.915 1.00 0.00 O ATOM 243 CB ASP A 16 87.382 7.229 -11.940 1.00 0.00 C ATOM 244 CG ASP A 16 88.398 6.931 -13.023 1.00 0.00 C ATOM 245 OD1 ASP A 16 87.986 6.635 -14.165 1.00 0.00 O ATOM 246 OD2 ASP A 16 89.611 6.996 -12.746 1.00 0.00 O ATOM 0 H ASP A 16 86.173 7.074 -9.635 1.00 0.00 H new ATOM 0 HA ASP A 16 86.375 5.350 -12.025 1.00 0.00 H new ATOM 0 HB2 ASP A 16 86.545 7.777 -12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 16 87.834 7.878 -11.190 1.00 0.00 H new ATOM 251 N TYR A 17 88.060 3.894 -10.907 1.00 0.00 N ATOM 252 CA TYR A 17 89.003 3.021 -10.228 1.00 0.00 C ATOM 253 C TYR A 17 90.087 2.509 -11.161 1.00 0.00 C ATOM 254 O TYR A 17 89.890 2.406 -12.371 1.00 0.00 O ATOM 255 CB TYR A 17 88.266 1.844 -9.586 1.00 0.00 C ATOM 256 CG TYR A 17 87.199 1.225 -10.459 1.00 0.00 C ATOM 257 CD1 TYR A 17 87.511 0.261 -11.411 1.00 0.00 C ATOM 258 CD2 TYR A 17 85.873 1.610 -10.325 1.00 0.00 C ATOM 259 CE1 TYR A 17 86.525 -0.299 -12.204 1.00 0.00 C ATOM 260 CE2 TYR A 17 84.887 1.056 -11.109 1.00 0.00 C ATOM 261 CZ TYR A 17 85.215 0.105 -12.047 1.00 0.00 C ATOM 262 OH TYR A 17 84.226 -0.439 -12.833 1.00 0.00 O ATOM 0 H TYR A 17 87.461 3.426 -11.587 1.00 0.00 H new ATOM 0 HA TYR A 17 89.491 3.613 -9.454 1.00 0.00 H new ATOM 0 HB2 TYR A 17 88.993 1.076 -9.322 1.00 0.00 H new ATOM 0 HB3 TYR A 17 87.807 2.182 -8.657 1.00 0.00 H new ATOM 0 HD1 TYR A 17 88.537 -0.055 -11.533 1.00 0.00 H new ATOM 0 HD2 TYR A 17 85.610 2.358 -9.592 1.00 0.00 H new ATOM 0 HE1 TYR A 17 86.779 -1.047 -12.941 1.00 0.00 H new ATOM 0 HE2 TYR A 17 83.860 1.367 -10.988 1.00 0.00 H new ATOM 0 HH TYR A 17 83.665 0.278 -13.196 1.00 0.00 H new ATOM 272 N ILE A 18 91.235 2.203 -10.578 1.00 0.00 N ATOM 273 CA ILE A 18 92.329 1.592 -11.312 1.00 0.00 C ATOM 274 C ILE A 18 92.189 0.078 -11.258 1.00 0.00 C ATOM 275 O ILE A 18 92.401 -0.534 -10.206 1.00 0.00 O ATOM 276 CB ILE A 18 93.703 1.993 -10.730 1.00 0.00 C ATOM 277 CG1 ILE A 18 93.845 3.517 -10.699 1.00 0.00 C ATOM 278 CG2 ILE A 18 94.829 1.369 -11.546 1.00 0.00 C ATOM 279 CD1 ILE A 18 95.123 3.993 -10.046 1.00 0.00 C ATOM 0 H ILE A 18 91.433 2.370 -9.591 1.00 0.00 H new ATOM 0 HA ILE A 18 92.280 1.945 -12.342 1.00 0.00 H new ATOM 0 HB ILE A 18 93.769 1.619 -9.708 1.00 0.00 H new ATOM 0 HG12 ILE A 18 93.805 3.898 -11.719 1.00 0.00 H new ATOM 0 HG13 ILE A 18 92.994 3.942 -10.166 1.00 0.00 H new ATOM 0 HG21 ILE A 18 95.790 1.661 -11.123 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.737 0.283 -11.522 1.00 0.00 H new ATOM 0 HG23 ILE A 18 94.766 1.716 -12.577 1.00 0.00 H new ATOM 0 HD11 ILE A 18 95.155 5.082 -10.060 1.00 0.00 H new ATOM 0 HD12 ILE A 18 95.157 3.642 -9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 18 95.980 3.598 -10.592 1.00 0.00 H new ATOM 291 N GLU A 19 91.804 -0.516 -12.376 1.00 0.00 N ATOM 292 CA GLU A 19 91.622 -1.954 -12.445 1.00 0.00 C ATOM 293 C GLU A 19 92.881 -2.633 -12.958 1.00 0.00 C ATOM 294 O GLU A 19 93.142 -2.676 -14.162 1.00 0.00 O ATOM 295 CB GLU A 19 90.430 -2.309 -13.336 1.00 0.00 C ATOM 296 CG GLU A 19 90.186 -3.806 -13.456 1.00 0.00 C ATOM 297 CD GLU A 19 89.046 -4.141 -14.392 1.00 0.00 C ATOM 298 OE1 GLU A 19 88.623 -3.257 -15.168 1.00 0.00 O ATOM 299 OE2 GLU A 19 88.561 -5.292 -14.356 1.00 0.00 O ATOM 0 H GLU A 19 91.612 -0.023 -13.248 1.00 0.00 H new ATOM 0 HA GLU A 19 91.420 -2.315 -11.436 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.534 -1.834 -12.937 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.594 -1.895 -14.331 1.00 0.00 H new ATOM 0 HG2 GLU A 19 91.096 -4.290 -13.811 1.00 0.00 H new ATOM 0 HG3 GLU A 19 89.971 -4.215 -12.469 1.00 0.00 H new ATOM 306 N LEU A 20 93.672 -3.131 -12.030 1.00 0.00 N ATOM 307 CA LEU A 20 94.815 -3.955 -12.359 1.00 0.00 C ATOM 308 C LEU A 20 94.431 -5.402 -12.115 1.00 0.00 C ATOM 309 O LEU A 20 93.450 -5.670 -11.417 1.00 0.00 O ATOM 310 CB LEU A 20 96.024 -3.570 -11.502 1.00 0.00 C ATOM 311 CG LEU A 20 96.508 -2.127 -11.668 1.00 0.00 C ATOM 312 CD1 LEU A 20 97.641 -1.830 -10.700 1.00 0.00 C ATOM 313 CD2 LEU A 20 96.957 -1.876 -13.100 1.00 0.00 C ATOM 0 H LEU A 20 93.541 -2.976 -11.030 1.00 0.00 H new ATOM 0 HA LEU A 20 95.094 -3.809 -13.402 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.773 -3.734 -10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.848 -4.242 -11.741 1.00 0.00 H new ATOM 0 HG LEU A 20 95.676 -1.459 -11.443 1.00 0.00 H new ATOM 0 HD11 LEU A 20 97.972 -0.800 -10.832 1.00 0.00 H new ATOM 0 HD12 LEU A 20 97.292 -1.970 -9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.473 -2.507 -10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 20 97.298 -0.845 -13.199 1.00 0.00 H new ATOM 0 HD22 LEU A 20 97.774 -2.554 -13.349 1.00 0.00 H new ATOM 0 HD23 LEU A 20 96.122 -2.049 -13.779 1.00 0.00 H new ATOM 325 N GLU A 21 95.173 -6.338 -12.680 1.00 0.00 N ATOM 326 CA GLU A 21 94.836 -7.736 -12.499 1.00 0.00 C ATOM 327 C GLU A 21 94.984 -8.120 -11.033 1.00 0.00 C ATOM 328 O GLU A 21 96.076 -8.040 -10.464 1.00 0.00 O ATOM 329 CB GLU A 21 95.691 -8.634 -13.389 1.00 0.00 C ATOM 330 CG GLU A 21 95.214 -10.075 -13.407 1.00 0.00 C ATOM 331 CD GLU A 21 95.906 -10.910 -14.457 1.00 0.00 C ATOM 332 OE1 GLU A 21 95.407 -10.969 -15.601 1.00 0.00 O ATOM 333 OE2 GLU A 21 96.951 -11.517 -14.145 1.00 0.00 O ATOM 0 H GLU A 21 95.996 -6.160 -13.256 1.00 0.00 H new ATOM 0 HA GLU A 21 93.797 -7.881 -12.796 1.00 0.00 H new ATOM 0 HB2 GLU A 21 95.684 -8.242 -14.406 1.00 0.00 H new ATOM 0 HB3 GLU A 21 96.724 -8.603 -13.042 1.00 0.00 H new ATOM 0 HG2 GLU A 21 95.383 -10.520 -12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 21 94.139 -10.094 -13.585 1.00 0.00 H new ATOM 340 N ASN A 22 93.853 -8.491 -10.431 1.00 0.00 N ATOM 341 CA ASN A 22 93.774 -8.894 -9.023 1.00 0.00 C ATOM 342 C ASN A 22 93.853 -7.691 -8.084 1.00 0.00 C ATOM 343 O ASN A 22 93.913 -7.861 -6.867 1.00 0.00 O ATOM 344 CB ASN A 22 94.868 -9.908 -8.653 1.00 0.00 C ATOM 345 CG ASN A 22 94.831 -11.165 -9.498 1.00 0.00 C ATOM 346 OD1 ASN A 22 93.773 -11.595 -9.955 1.00 0.00 O ATOM 347 ND2 ASN A 22 95.995 -11.760 -9.716 1.00 0.00 N ATOM 0 H ASN A 22 92.954 -8.521 -10.912 1.00 0.00 H new ATOM 0 HA ASN A 22 92.802 -9.372 -8.898 1.00 0.00 H new ATOM 0 HB2 ASN A 22 95.844 -9.435 -8.761 1.00 0.00 H new ATOM 0 HB3 ASN A 22 94.761 -10.181 -7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 22 96.036 -12.608 -10.282 1.00 0.00 H new ATOM 0 HD22 ASN A 22 96.849 -11.370 -9.318 1.00 0.00 H new ATOM 354 N GLU A 23 93.827 -6.477 -8.635 1.00 0.00 N ATOM 355 CA GLU A 23 93.913 -5.273 -7.815 1.00 0.00 C ATOM 356 C GLU A 23 92.982 -4.175 -8.307 1.00 0.00 C ATOM 357 O GLU A 23 93.174 -3.616 -9.384 1.00 0.00 O ATOM 358 CB GLU A 23 95.338 -4.725 -7.775 1.00 0.00 C ATOM 359 CG GLU A 23 96.235 -5.401 -6.755 1.00 0.00 C ATOM 360 CD GLU A 23 97.516 -4.631 -6.517 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.449 -3.389 -6.396 1.00 0.00 O ATOM 362 OE2 GLU A 23 98.586 -5.269 -6.417 1.00 0.00 O ATOM 0 H GLU A 23 93.748 -6.304 -9.637 1.00 0.00 H new ATOM 0 HA GLU A 23 93.607 -5.571 -6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.785 -4.833 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 23 95.299 -3.658 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.696 -5.505 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.477 -6.407 -7.097 1.00 0.00 H new ATOM 369 N ILE A 24 91.990 -3.853 -7.497 1.00 0.00 N ATOM 370 CA ILE A 24 91.112 -2.729 -7.779 1.00 0.00 C ATOM 371 C ILE A 24 91.397 -1.612 -6.785 1.00 0.00 C ATOM 372 O ILE A 24 91.227 -1.790 -5.584 1.00 0.00 O ATOM 373 CB ILE A 24 89.621 -3.127 -7.702 1.00 0.00 C ATOM 374 CG1 ILE A 24 89.319 -4.249 -8.700 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.733 -1.917 -7.970 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.892 -4.754 -8.641 1.00 0.00 C ATOM 0 H ILE A 24 91.771 -4.354 -6.636 1.00 0.00 H new ATOM 0 HA ILE A 24 91.309 -2.392 -8.797 1.00 0.00 H new ATOM 0 HB ILE A 24 89.409 -3.492 -6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.526 -3.891 -9.708 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.997 -5.082 -8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.686 -2.214 -7.912 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.933 -1.147 -7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.944 -1.524 -8.964 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.756 -5.547 -9.377 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.685 -5.144 -7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 24 87.207 -3.935 -8.859 1.00 0.00 H new ATOM 388 N HIS A 25 91.864 -0.478 -7.279 1.00 0.00 N ATOM 389 CA HIS A 25 92.214 0.637 -6.406 1.00 0.00 C ATOM 390 C HIS A 25 91.089 1.663 -6.350 1.00 0.00 C ATOM 391 O HIS A 25 90.679 2.202 -7.379 1.00 0.00 O ATOM 392 CB HIS A 25 93.519 1.295 -6.865 1.00 0.00 C ATOM 393 CG HIS A 25 94.744 0.483 -6.556 1.00 0.00 C ATOM 394 ND1 HIS A 25 95.728 0.909 -5.692 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.145 -0.734 -7.005 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.678 -0.006 -5.619 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.348 -1.013 -6.407 1.00 0.00 N ATOM 0 H HIS A 25 92.010 -0.302 -8.273 1.00 0.00 H new ATOM 0 HA HIS A 25 92.362 0.242 -5.401 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.470 1.468 -7.940 1.00 0.00 H new ATOM 0 HB3 HIS A 25 93.611 2.271 -6.389 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.615 -1.365 -7.703 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.572 0.059 -5.017 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.898 -1.860 -6.548 1.00 0.00 H new ATOM 406 N LEU A 26 90.597 1.911 -5.140 1.00 0.00 N ATOM 407 CA LEU A 26 89.503 2.856 -4.915 1.00 0.00 C ATOM 408 C LEU A 26 89.966 4.015 -4.043 1.00 0.00 C ATOM 409 O LEU A 26 90.985 3.909 -3.355 1.00 0.00 O ATOM 410 CB LEU A 26 88.328 2.161 -4.218 1.00 0.00 C ATOM 411 CG LEU A 26 87.639 1.060 -5.020 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.521 0.429 -4.204 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.094 1.623 -6.317 1.00 0.00 C ATOM 0 H LEU A 26 90.942 1.466 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 26 89.185 3.232 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU A 26 88.687 1.733 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.585 2.916 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 26 88.372 0.288 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.040 -0.354 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 26 86.935 -0.002 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 26 85.786 1.191 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.605 0.829 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.372 2.410 -6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 26 87.912 2.036 -6.907 1.00 0.00 H new ATOM 425 N LYS A 27 89.221 5.114 -4.059 1.00 0.00 N ATOM 426 CA LYS A 27 89.492 6.211 -3.140 1.00 0.00 C ATOM 427 C LYS A 27 89.062 5.797 -1.740 1.00 0.00 C ATOM 428 O LYS A 27 88.074 5.077 -1.592 1.00 0.00 O ATOM 429 CB LYS A 27 88.729 7.483 -3.522 1.00 0.00 C ATOM 430 CG LYS A 27 88.941 7.956 -4.946 1.00 0.00 C ATOM 431 CD LYS A 27 88.530 9.411 -5.094 1.00 0.00 C ATOM 432 CE LYS A 27 88.282 9.795 -6.541 1.00 0.00 C ATOM 433 NZ LYS A 27 86.972 9.292 -7.029 1.00 0.00 N ATOM 0 H LYS A 27 88.434 5.268 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 27 90.560 6.426 -3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.664 7.309 -3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 27 89.023 8.283 -2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 27 89.989 7.839 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.361 7.337 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.626 9.592 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 27 89.309 10.050 -4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 27 88.314 10.880 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 27 89.081 9.394 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.706 9.800 -7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 87.045 8.275 -7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.247 9.449 -6.300 1.00 0.00 H new ATOM 447 N PRO A 28 89.786 6.234 -0.696 1.00 0.00 N ATOM 448 CA PRO A 28 89.384 5.988 0.693 1.00 0.00 C ATOM 449 C PRO A 28 87.941 6.424 0.941 1.00 0.00 C ATOM 450 O PRO A 28 87.215 5.807 1.721 1.00 0.00 O ATOM 451 CB PRO A 28 90.358 6.847 1.502 1.00 0.00 C ATOM 452 CG PRO A 28 91.562 6.978 0.632 1.00 0.00 C ATOM 453 CD PRO A 28 91.054 6.984 -0.784 1.00 0.00 C ATOM 0 HA PRO A 28 89.419 4.932 0.959 1.00 0.00 H new ATOM 0 HB2 PRO A 28 89.928 7.822 1.733 1.00 0.00 H new ATOM 0 HB3 PRO A 28 90.606 6.375 2.453 1.00 0.00 H new ATOM 0 HG2 PRO A 28 92.106 7.896 0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.253 6.151 0.795 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.896 7.999 -1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.757 6.505 -1.465 1.00 0.00 H new ATOM 461 N GLU A 29 87.544 7.489 0.248 1.00 0.00 N ATOM 462 CA GLU A 29 86.178 8.001 0.284 1.00 0.00 C ATOM 463 C GLU A 29 85.167 6.900 -0.038 1.00 0.00 C ATOM 464 O GLU A 29 84.278 6.603 0.759 1.00 0.00 O ATOM 465 CB GLU A 29 86.045 9.136 -0.736 1.00 0.00 C ATOM 466 CG GLU A 29 84.653 9.738 -0.839 1.00 0.00 C ATOM 467 CD GLU A 29 84.535 10.708 -1.998 1.00 0.00 C ATOM 468 OE1 GLU A 29 85.119 11.809 -1.916 1.00 0.00 O ATOM 469 OE2 GLU A 29 83.870 10.370 -2.998 1.00 0.00 O ATOM 0 H GLU A 29 88.166 8.024 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 29 85.968 8.369 1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.749 9.926 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 29 86.337 8.761 -1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 29 83.921 8.939 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 29 84.412 10.254 0.091 1.00 0.00 H new ATOM 476 N VAL A 30 85.324 6.290 -1.203 1.00 0.00 N ATOM 477 CA VAL A 30 84.380 5.290 -1.678 1.00 0.00 C ATOM 478 C VAL A 30 84.633 3.940 -1.016 1.00 0.00 C ATOM 479 O VAL A 30 83.694 3.206 -0.705 1.00 0.00 O ATOM 480 CB VAL A 30 84.459 5.135 -3.211 1.00 0.00 C ATOM 481 CG1 VAL A 30 83.410 4.157 -3.715 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.299 6.486 -3.891 1.00 0.00 C ATOM 0 H VAL A 30 86.100 6.471 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 30 83.381 5.634 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 30 85.441 4.734 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 30 83.488 4.066 -4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 30 83.572 3.181 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 30 82.417 4.521 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 30 84.357 6.358 -4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.332 6.914 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.093 7.156 -3.561 1.00 0.00 H new ATOM 492 N PHE A 31 85.906 3.630 -0.787 1.00 0.00 N ATOM 493 CA PHE A 31 86.303 2.372 -0.158 1.00 0.00 C ATOM 494 C PHE A 31 85.597 2.202 1.184 1.00 0.00 C ATOM 495 O PHE A 31 85.171 1.104 1.538 1.00 0.00 O ATOM 496 CB PHE A 31 87.825 2.339 0.032 1.00 0.00 C ATOM 497 CG PHE A 31 88.359 1.026 0.538 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.452 0.774 1.898 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.785 0.050 -0.349 1.00 0.00 C ATOM 500 CE1 PHE A 31 88.955 -0.424 2.364 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.289 -1.151 0.112 1.00 0.00 C ATOM 502 CZ PHE A 31 89.375 -1.387 1.471 1.00 0.00 C ATOM 0 H PHE A 31 86.688 4.239 -1.030 1.00 0.00 H new ATOM 0 HA PHE A 31 86.011 1.547 -0.808 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.303 2.569 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.109 3.126 0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.127 1.525 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.722 0.230 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.019 -0.607 3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.616 -1.905 -0.589 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.771 -2.324 1.833 1.00 0.00 H new ATOM 512 N TYR A 32 85.469 3.307 1.909 1.00 0.00 N ATOM 513 CA TYR A 32 84.779 3.325 3.192 1.00 0.00 C ATOM 514 C TYR A 32 83.351 2.785 3.067 1.00 0.00 C ATOM 515 O TYR A 32 82.910 1.974 3.884 1.00 0.00 O ATOM 516 CB TYR A 32 84.774 4.757 3.745 1.00 0.00 C ATOM 517 CG TYR A 32 83.730 5.013 4.808 1.00 0.00 C ATOM 518 CD1 TYR A 32 83.871 4.507 6.095 1.00 0.00 C ATOM 519 CD2 TYR A 32 82.596 5.758 4.516 1.00 0.00 C ATOM 520 CE1 TYR A 32 82.907 4.737 7.058 1.00 0.00 C ATOM 521 CE2 TYR A 32 81.633 5.994 5.473 1.00 0.00 C ATOM 522 CZ TYR A 32 81.790 5.481 6.738 1.00 0.00 C ATOM 523 OH TYR A 32 80.822 5.708 7.686 1.00 0.00 O ATOM 0 H TYR A 32 85.840 4.214 1.624 1.00 0.00 H new ATOM 0 HA TYR A 32 85.310 2.672 3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 32 85.758 4.977 4.159 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.613 5.451 2.920 1.00 0.00 H new ATOM 0 HD1 TYR A 32 84.746 3.926 6.346 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.466 6.160 3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 32 83.027 4.337 8.054 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.759 6.580 5.230 1.00 0.00 H new ATOM 0 HH TYR A 32 80.104 6.250 7.297 1.00 0.00 H new ATOM 533 N GLU A 33 82.639 3.220 2.035 1.00 0.00 N ATOM 534 CA GLU A 33 81.253 2.813 1.853 1.00 0.00 C ATOM 535 C GLU A 33 81.164 1.412 1.260 1.00 0.00 C ATOM 536 O GLU A 33 80.238 0.661 1.568 1.00 0.00 O ATOM 537 CB GLU A 33 80.513 3.818 0.972 1.00 0.00 C ATOM 538 CG GLU A 33 80.514 5.223 1.548 1.00 0.00 C ATOM 539 CD GLU A 33 79.604 6.168 0.797 1.00 0.00 C ATOM 540 OE1 GLU A 33 79.998 6.645 -0.286 1.00 0.00 O ATOM 541 OE2 GLU A 33 78.493 6.453 1.297 1.00 0.00 O ATOM 0 H GLU A 33 82.996 3.850 1.316 1.00 0.00 H new ATOM 0 HA GLU A 33 80.776 2.792 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 33 80.973 3.836 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.483 3.487 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 33 80.205 5.182 2.592 1.00 0.00 H new ATOM 0 HG3 GLU A 33 81.531 5.616 1.532 1.00 0.00 H new ATOM 548 N VAL A 34 82.132 1.052 0.422 1.00 0.00 N ATOM 549 CA VAL A 34 82.188 -0.297 -0.133 1.00 0.00 C ATOM 550 C VAL A 34 82.440 -1.307 0.981 1.00 0.00 C ATOM 551 O VAL A 34 81.865 -2.395 0.990 1.00 0.00 O ATOM 552 CB VAL A 34 83.282 -0.437 -1.214 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.330 -1.863 -1.754 1.00 0.00 C ATOM 554 CG2 VAL A 34 83.043 0.550 -2.346 1.00 0.00 C ATOM 0 H VAL A 34 82.883 1.670 0.114 1.00 0.00 H new ATOM 0 HA VAL A 34 81.226 -0.494 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 34 84.244 -0.212 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 34 84.108 -1.938 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.550 -2.553 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.366 -2.118 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.824 0.437 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 34 82.071 0.355 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 34 83.063 1.566 -1.953 1.00 0.00 H new ATOM 564 N TRP A 35 83.289 -0.925 1.929 1.00 0.00 N ATOM 565 CA TRP A 35 83.570 -1.752 3.094 1.00 0.00 C ATOM 566 C TRP A 35 82.277 -2.045 3.855 1.00 0.00 C ATOM 567 O TRP A 35 82.040 -3.174 4.281 1.00 0.00 O ATOM 568 CB TRP A 35 84.594 -1.055 3.997 1.00 0.00 C ATOM 569 CG TRP A 35 84.988 -1.852 5.203 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.565 -3.089 5.222 1.00 0.00 C ATOM 571 CD2 TRP A 35 84.851 -1.452 6.570 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.781 -3.490 6.519 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.354 -2.498 7.365 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.347 -0.311 7.198 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.366 -2.436 8.756 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.363 -0.247 8.578 1.00 0.00 C ATOM 577 CH2 TRP A 35 84.868 -1.304 9.345 1.00 0.00 C ATOM 0 H TRP A 35 83.797 -0.041 1.911 1.00 0.00 H new ATOM 0 HA TRP A 35 83.994 -2.701 2.766 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.487 -0.835 3.413 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.183 -0.100 4.324 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.815 -3.668 4.346 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.191 -4.379 6.805 1.00 0.00 H new ATOM 0 HE3 TRP A 35 83.951 0.507 6.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 85.754 -3.251 9.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 83.980 0.633 9.073 1.00 0.00 H new ATOM 0 HH2 TRP A 35 84.865 -1.225 10.422 1.00 0.00 H new ATOM 588 N LYS A 36 81.437 -1.025 3.999 1.00 0.00 N ATOM 589 CA LYS A 36 80.121 -1.194 4.608 1.00 0.00 C ATOM 590 C LYS A 36 79.258 -2.136 3.772 1.00 0.00 C ATOM 591 O LYS A 36 78.639 -3.062 4.300 1.00 0.00 O ATOM 592 CB LYS A 36 79.417 0.161 4.743 1.00 0.00 C ATOM 593 CG LYS A 36 79.517 0.789 6.126 1.00 0.00 C ATOM 594 CD LYS A 36 80.953 1.058 6.543 1.00 0.00 C ATOM 595 CE LYS A 36 81.013 1.758 7.893 1.00 0.00 C ATOM 596 NZ LYS A 36 80.333 0.973 8.957 1.00 0.00 N ATOM 0 H LYS A 36 81.644 -0.071 3.702 1.00 0.00 H new ATOM 0 HA LYS A 36 80.260 -1.627 5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.841 0.851 4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 36 78.364 0.036 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 36 78.958 1.725 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 36 79.048 0.129 6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 36 81.502 0.118 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 36 81.444 1.674 5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 36 82.054 1.920 8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 36 80.547 2.740 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 80.440 1.460 9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 79.322 0.883 8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 80.760 0.027 9.017 1.00 0.00 H new ATOM 610 N TYR A 37 79.247 -1.892 2.465 1.00 0.00 N ATOM 611 CA TYR A 37 78.431 -2.655 1.519 1.00 0.00 C ATOM 612 C TYR A 37 78.769 -4.146 1.542 1.00 0.00 C ATOM 613 O TYR A 37 77.875 -4.995 1.543 1.00 0.00 O ATOM 614 CB TYR A 37 78.633 -2.089 0.106 1.00 0.00 C ATOM 615 CG TYR A 37 77.882 -2.826 -0.986 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.544 -2.552 -1.245 1.00 0.00 C ATOM 617 CD2 TYR A 37 78.518 -3.786 -1.768 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.861 -3.214 -2.249 1.00 0.00 C ATOM 619 CE2 TYR A 37 77.840 -4.453 -2.772 1.00 0.00 C ATOM 620 CZ TYR A 37 76.512 -4.162 -3.010 1.00 0.00 C ATOM 621 OH TYR A 37 75.835 -4.821 -4.012 1.00 0.00 O ATOM 0 H TYR A 37 79.805 -1.158 2.028 1.00 0.00 H new ATOM 0 HA TYR A 37 77.387 -2.557 1.816 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.322 -1.044 0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.697 -2.106 -0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 37 76.029 -1.810 -0.652 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.558 -4.014 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.821 -2.989 -2.436 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.347 -5.198 -3.367 1.00 0.00 H new ATOM 0 HH TYR A 37 75.138 -4.236 -4.375 1.00 0.00 H new ATOM 631 N VAL A 38 80.057 -4.467 1.568 1.00 0.00 N ATOM 632 CA VAL A 38 80.493 -5.858 1.489 1.00 0.00 C ATOM 633 C VAL A 38 80.269 -6.605 2.804 1.00 0.00 C ATOM 634 O VAL A 38 80.416 -7.825 2.864 1.00 0.00 O ATOM 635 CB VAL A 38 81.973 -5.978 1.063 1.00 0.00 C ATOM 636 CG1 VAL A 38 82.178 -5.368 -0.315 1.00 0.00 C ATOM 637 CG2 VAL A 38 82.891 -5.320 2.079 1.00 0.00 C ATOM 0 H VAL A 38 80.815 -3.788 1.643 1.00 0.00 H new ATOM 0 HA VAL A 38 79.876 -6.323 0.721 1.00 0.00 H new ATOM 0 HB VAL A 38 82.227 -7.037 1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 38 83.226 -5.460 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.556 -5.892 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.900 -4.314 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.926 -5.420 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.639 -4.263 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.768 -5.804 3.048 1.00 0.00 H new ATOM 647 N GLY A 39 79.893 -5.879 3.851 1.00 0.00 N ATOM 648 CA GLY A 39 79.573 -6.520 5.114 1.00 0.00 C ATOM 649 C GLY A 39 80.620 -6.282 6.184 1.00 0.00 C ATOM 650 O GLY A 39 80.522 -6.833 7.282 1.00 0.00 O ATOM 0 H GLY A 39 79.804 -4.863 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.610 -6.151 5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.464 -7.593 4.953 1.00 0.00 H new ATOM 654 N GLU A 40 81.608 -5.454 5.861 1.00 0.00 N ATOM 655 CA GLU A 40 82.684 -5.102 6.788 1.00 0.00 C ATOM 656 C GLU A 40 83.431 -6.337 7.295 1.00 0.00 C ATOM 657 O GLU A 40 83.211 -6.788 8.421 1.00 0.00 O ATOM 658 CB GLU A 40 82.133 -4.296 7.966 1.00 0.00 C ATOM 659 CG GLU A 40 81.464 -2.998 7.547 1.00 0.00 C ATOM 660 CD GLU A 40 80.804 -2.284 8.702 1.00 0.00 C ATOM 661 OE1 GLU A 40 79.635 -2.596 9.005 1.00 0.00 O ATOM 662 OE2 GLU A 40 81.437 -1.393 9.302 1.00 0.00 O ATOM 0 H GLU A 40 81.688 -5.006 4.948 1.00 0.00 H new ATOM 0 HA GLU A 40 83.398 -4.489 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 40 81.414 -4.908 8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 40 82.947 -4.071 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 40 82.207 -2.340 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 40 80.718 -3.209 6.781 1.00 0.00 H new ATOM 669 N PRO A 41 84.299 -6.923 6.455 1.00 0.00 N ATOM 670 CA PRO A 41 85.143 -8.041 6.836 1.00 0.00 C ATOM 671 C PRO A 41 86.509 -7.563 7.315 1.00 0.00 C ATOM 672 O PRO A 41 86.728 -6.357 7.473 1.00 0.00 O ATOM 673 CB PRO A 41 85.267 -8.822 5.528 1.00 0.00 C ATOM 674 CG PRO A 41 85.074 -7.814 4.431 1.00 0.00 C ATOM 675 CD PRO A 41 84.530 -6.549 5.057 1.00 0.00 C ATOM 0 HA PRO A 41 84.737 -8.628 7.660 1.00 0.00 H new ATOM 0 HB2 PRO A 41 86.242 -9.303 5.450 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.517 -9.611 5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 41 86.019 -7.614 3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.384 -8.195 3.679 1.00 0.00 H new ATOM 0 HD2 PRO A 41 85.239 -5.725 4.975 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.609 -6.226 4.572 1.00 0.00 H new ATOM 683 N GLU A 42 87.421 -8.495 7.548 1.00 0.00 N ATOM 684 CA GLU A 42 88.774 -8.136 7.936 1.00 0.00 C ATOM 685 C GLU A 42 89.529 -7.547 6.756 1.00 0.00 C ATOM 686 O GLU A 42 89.296 -7.916 5.603 1.00 0.00 O ATOM 687 CB GLU A 42 89.534 -9.344 8.479 1.00 0.00 C ATOM 688 CG GLU A 42 88.991 -9.874 9.793 1.00 0.00 C ATOM 689 CD GLU A 42 89.891 -10.928 10.393 1.00 0.00 C ATOM 690 OE1 GLU A 42 89.798 -12.102 9.981 1.00 0.00 O ATOM 691 OE2 GLU A 42 90.709 -10.585 11.271 1.00 0.00 O ATOM 0 H GLU A 42 87.250 -9.498 7.476 1.00 0.00 H new ATOM 0 HA GLU A 42 88.702 -7.389 8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 42 89.505 -10.142 7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 42 90.581 -9.072 8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 42 88.878 -9.050 10.497 1.00 0.00 H new ATOM 0 HG3 GLU A 42 87.998 -10.294 9.632 1.00 0.00 H new ATOM 698 N LEU A 43 90.431 -6.633 7.052 1.00 0.00 N ATOM 699 CA LEU A 43 91.215 -5.978 6.026 1.00 0.00 C ATOM 700 C LEU A 43 92.673 -6.398 6.130 1.00 0.00 C ATOM 701 O LEU A 43 93.246 -6.410 7.219 1.00 0.00 O ATOM 702 CB LEU A 43 91.090 -4.458 6.164 1.00 0.00 C ATOM 703 CG LEU A 43 89.668 -3.905 6.040 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.646 -2.416 6.343 1.00 0.00 C ATOM 705 CD2 LEU A 43 89.111 -4.171 4.649 1.00 0.00 C ATOM 0 H LEU A 43 90.640 -6.326 8.002 1.00 0.00 H new ATOM 0 HA LEU A 43 90.837 -6.276 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 43 91.494 -4.163 7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.713 -3.988 5.403 1.00 0.00 H new ATOM 0 HG LEU A 43 89.038 -4.415 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.627 -2.041 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 43 90.004 -2.246 7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.292 -1.892 5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 43 88.099 -3.771 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.744 -3.688 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 43 89.090 -5.245 4.465 1.00 0.00 H new ATOM 717 N LYS A 44 93.266 -6.755 5.004 1.00 0.00 N ATOM 718 CA LYS A 44 94.670 -7.126 4.978 1.00 0.00 C ATOM 719 C LYS A 44 95.512 -5.928 4.569 1.00 0.00 C ATOM 720 O LYS A 44 95.120 -5.154 3.697 1.00 0.00 O ATOM 721 CB LYS A 44 94.926 -8.287 4.013 1.00 0.00 C ATOM 722 CG LYS A 44 94.347 -9.622 4.456 1.00 0.00 C ATOM 723 CD LYS A 44 94.871 -10.753 3.581 1.00 0.00 C ATOM 724 CE LYS A 44 94.398 -12.121 4.055 1.00 0.00 C ATOM 725 NZ LYS A 44 92.954 -12.348 3.785 1.00 0.00 N ATOM 0 H LYS A 44 92.799 -6.796 4.098 1.00 0.00 H new ATOM 0 HA LYS A 44 94.949 -7.450 5.980 1.00 0.00 H new ATOM 0 HB2 LYS A 44 94.509 -8.031 3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 44 96.002 -8.400 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 44 94.609 -9.810 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 44 93.259 -9.588 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 44 94.544 -10.595 2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 44 95.961 -10.730 3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 44 94.983 -12.896 3.560 1.00 0.00 H new ATOM 0 HE3 LYS A 44 94.584 -12.216 5.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 92.617 -13.153 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 92.415 -11.496 4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 92.818 -12.555 2.775 1.00 0.00 H new ATOM 739 N THR A 45 96.654 -5.766 5.204 1.00 0.00 N ATOM 740 CA THR A 45 97.554 -4.680 4.874 1.00 0.00 C ATOM 741 C THR A 45 98.900 -5.222 4.422 1.00 0.00 C ATOM 742 O THR A 45 99.396 -6.207 4.968 1.00 0.00 O ATOM 743 CB THR A 45 97.761 -3.733 6.074 1.00 0.00 C ATOM 744 OG1 THR A 45 98.206 -4.471 7.221 1.00 0.00 O ATOM 745 CG2 THR A 45 96.479 -2.991 6.413 1.00 0.00 C ATOM 0 H THR A 45 96.982 -6.375 5.954 1.00 0.00 H new ATOM 0 HA THR A 45 97.097 -4.115 4.062 1.00 0.00 H new ATOM 0 HB THR A 45 98.522 -3.004 5.795 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.653 -4.237 7.995 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.654 -2.331 7.262 1.00 0.00 H new ATOM 0 HG22 THR A 45 96.162 -2.400 5.554 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.699 -3.709 6.667 1.00 0.00 H new ATOM 753 N TYR A 46 99.484 -4.590 3.418 1.00 0.00 N ATOM 754 CA TYR A 46 100.794 -4.990 2.939 1.00 0.00 C ATOM 755 C TYR A 46 101.752 -3.814 3.016 1.00 0.00 C ATOM 756 O TYR A 46 101.367 -2.666 2.772 1.00 0.00 O ATOM 757 CB TYR A 46 100.722 -5.548 1.509 1.00 0.00 C ATOM 758 CG TYR A 46 100.466 -4.520 0.423 1.00 0.00 C ATOM 759 CD1 TYR A 46 99.237 -3.885 0.306 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.458 -4.196 -0.494 1.00 0.00 C ATOM 761 CE1 TYR A 46 99.002 -2.961 -0.693 1.00 0.00 C ATOM 762 CE2 TYR A 46 101.231 -3.272 -1.494 1.00 0.00 C ATOM 763 CZ TYR A 46 100.003 -2.656 -1.588 1.00 0.00 C ATOM 764 OH TYR A 46 99.777 -1.736 -2.584 1.00 0.00 O ATOM 0 H TYR A 46 99.072 -3.800 2.921 1.00 0.00 H new ATOM 0 HA TYR A 46 101.165 -5.790 3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.659 -6.059 1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.933 -6.299 1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 46 98.451 -4.118 1.009 1.00 0.00 H new ATOM 0 HD2 TYR A 46 102.423 -4.675 -0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 46 98.038 -2.480 -0.772 1.00 0.00 H new ATOM 0 HE2 TYR A 46 102.013 -3.033 -2.200 1.00 0.00 H new ATOM 0 HH TYR A 46 100.586 -1.637 -3.127 1.00 0.00 H new ATOM 774 N VAL A 47 102.989 -4.097 3.382 1.00 0.00 N ATOM 775 CA VAL A 47 103.999 -3.064 3.494 1.00 0.00 C ATOM 776 C VAL A 47 104.835 -3.024 2.229 1.00 0.00 C ATOM 777 O VAL A 47 105.610 -3.940 1.950 1.00 0.00 O ATOM 778 CB VAL A 47 104.911 -3.284 4.719 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.917 -2.151 4.853 1.00 0.00 C ATOM 780 CG2 VAL A 47 104.081 -3.417 5.987 1.00 0.00 C ATOM 0 H VAL A 47 103.317 -5.036 3.607 1.00 0.00 H new ATOM 0 HA VAL A 47 103.487 -2.111 3.629 1.00 0.00 H new ATOM 0 HB VAL A 47 105.463 -4.212 4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 47 106.549 -2.327 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 47 106.536 -2.107 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 47 105.387 -1.206 4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.742 -3.572 6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 47 103.500 -2.507 6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 47 103.406 -4.267 5.892 1.00 0.00 H new ATOM 790 N ILE A 48 104.645 -1.981 1.445 1.00 0.00 N ATOM 791 CA ILE A 48 105.361 -1.826 0.195 1.00 0.00 C ATOM 792 C ILE A 48 106.308 -0.640 0.276 1.00 0.00 C ATOM 793 O ILE A 48 105.960 0.411 0.826 1.00 0.00 O ATOM 794 CB ILE A 48 104.381 -1.647 -0.989 1.00 0.00 C ATOM 795 CG1 ILE A 48 105.143 -1.438 -2.303 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.431 -0.485 -0.729 1.00 0.00 C ATOM 797 CD1 ILE A 48 104.244 -1.284 -3.513 1.00 0.00 C ATOM 0 H ILE A 48 103.995 -1.223 1.654 1.00 0.00 H new ATOM 0 HA ILE A 48 105.941 -2.733 0.022 1.00 0.00 H new ATOM 0 HB ILE A 48 103.791 -2.559 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 48 105.769 -0.551 -2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 48 105.811 -2.284 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 48 102.750 -0.376 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.857 -0.680 0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 48 104.005 0.433 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 48 104.855 -1.140 -4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 48 103.636 -2.181 -3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 48 103.594 -0.420 -3.375 1.00 0.00 H new ATOM 809 N GLU A 49 107.511 -0.813 -0.243 1.00 0.00 N ATOM 810 CA GLU A 49 108.467 0.272 -0.274 1.00 0.00 C ATOM 811 C GLU A 49 108.425 0.970 -1.618 1.00 0.00 C ATOM 812 O GLU A 49 109.153 0.601 -2.542 1.00 0.00 O ATOM 813 CB GLU A 49 109.903 -0.207 -0.010 1.00 0.00 C ATOM 814 CG GLU A 49 110.150 -0.753 1.387 1.00 0.00 C ATOM 815 CD GLU A 49 109.576 -2.136 1.592 1.00 0.00 C ATOM 816 OE1 GLU A 49 110.018 -3.077 0.902 1.00 0.00 O ATOM 817 OE2 GLU A 49 108.702 -2.296 2.460 1.00 0.00 O ATOM 0 H GLU A 49 107.844 -1.689 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 49 108.185 0.961 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 49 110.151 -0.981 -0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.586 0.625 -0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 49 111.223 -0.780 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 49 109.714 -0.073 2.119 1.00 0.00 H new ATOM 1177 N LYS A 72 108.252 2.983 3.468 1.00 0.00 N ATOM 1178 CA LYS A 72 107.405 1.824 3.715 1.00 0.00 C ATOM 1179 C LYS A 72 105.972 2.263 3.973 1.00 0.00 C ATOM 1180 O LYS A 72 105.630 2.688 5.082 1.00 0.00 O ATOM 1181 CB LYS A 72 107.920 1.010 4.905 1.00 0.00 C ATOM 1182 CG LYS A 72 109.113 0.129 4.575 1.00 0.00 C ATOM 1183 CD LYS A 72 109.595 -0.636 5.796 1.00 0.00 C ATOM 1184 CE LYS A 72 110.550 -1.760 5.417 1.00 0.00 C ATOM 1185 NZ LYS A 72 109.842 -2.893 4.762 1.00 0.00 N ATOM 0 HA LYS A 72 107.433 1.193 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 72 108.196 1.693 5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 72 107.111 0.384 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 72 108.841 -0.574 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.924 0.744 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 72 110.094 0.049 6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 72 108.738 -1.050 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 72 111.317 -1.374 4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 72 111.061 -2.119 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 110.539 -3.566 4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 109.238 -3.375 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 109.253 -2.532 3.985 1.00 0.00 H new ATOM 1199 N ILE A 73 105.141 2.178 2.950 1.00 0.00 N ATOM 1200 CA ILE A 73 103.749 2.560 3.079 1.00 0.00 C ATOM 1201 C ILE A 73 102.880 1.336 3.325 1.00 0.00 C ATOM 1202 O ILE A 73 102.851 0.402 2.521 1.00 0.00 O ATOM 1203 CB ILE A 73 103.241 3.319 1.836 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.044 4.606 1.630 1.00 0.00 C ATOM 1205 CG2 ILE A 73 101.759 3.642 1.978 1.00 0.00 C ATOM 1206 CD1 ILE A 73 103.888 5.608 2.756 1.00 0.00 C ATOM 0 H ILE A 73 105.407 1.848 2.022 1.00 0.00 H new ATOM 0 HA ILE A 73 103.679 3.232 3.934 1.00 0.00 H new ATOM 0 HB ILE A 73 103.377 2.679 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 73 105.099 4.353 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 73 103.733 5.072 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.417 4.178 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.193 2.716 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.605 4.264 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 73 104.486 6.494 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 73 102.840 5.891 2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 73 104.227 5.161 3.691 1.00 0.00 H new ATOM 1218 N LYS A 74 102.195 1.346 4.454 1.00 0.00 N ATOM 1219 CA LYS A 74 101.295 0.267 4.812 1.00 0.00 C ATOM 1220 C LYS A 74 99.930 0.520 4.182 1.00 0.00 C ATOM 1221 O LYS A 74 99.165 1.352 4.661 1.00 0.00 O ATOM 1222 CB LYS A 74 101.180 0.178 6.337 1.00 0.00 C ATOM 1223 CG LYS A 74 100.418 -1.035 6.847 1.00 0.00 C ATOM 1224 CD LYS A 74 100.340 -1.022 8.368 1.00 0.00 C ATOM 1225 CE LYS A 74 99.705 -2.288 8.921 1.00 0.00 C ATOM 1226 NZ LYS A 74 100.497 -3.501 8.586 1.00 0.00 N ATOM 0 H LYS A 74 102.246 2.096 5.143 1.00 0.00 H new ATOM 0 HA LYS A 74 101.684 -0.681 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 74 102.183 0.166 6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.689 1.079 6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.412 -1.042 6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.910 -1.948 6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 74 101.343 -0.910 8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.763 -0.156 8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 74 99.612 -2.204 10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 74 98.696 -2.392 8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.923 -4.139 7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 101.352 -3.224 8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 100.770 -3.990 9.462 1.00 0.00 H new ATOM 1240 N LYS A 75 99.647 -0.176 3.092 1.00 0.00 N ATOM 1241 CA LYS A 75 98.392 0.006 2.368 1.00 0.00 C ATOM 1242 C LYS A 75 97.430 -1.131 2.690 1.00 0.00 C ATOM 1243 O LYS A 75 97.859 -2.224 3.062 1.00 0.00 O ATOM 1244 CB LYS A 75 98.668 0.101 0.864 1.00 0.00 C ATOM 1245 CG LYS A 75 99.449 1.350 0.485 1.00 0.00 C ATOM 1246 CD LYS A 75 100.137 1.218 -0.865 1.00 0.00 C ATOM 1247 CE LYS A 75 100.998 2.440 -1.157 1.00 0.00 C ATOM 1248 NZ LYS A 75 101.986 2.195 -2.241 1.00 0.00 N ATOM 0 H LYS A 75 100.269 -0.875 2.686 1.00 0.00 H new ATOM 0 HA LYS A 75 97.922 0.937 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 75 99.224 -0.780 0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.721 0.093 0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.773 2.205 0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 75 100.196 1.554 1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 75 100.756 0.321 -0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 75 99.389 1.099 -1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 75 100.355 3.275 -1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 75 101.525 2.734 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 102.112 3.064 -2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 102.897 1.917 -1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 101.641 1.433 -2.859 1.00 0.00 H new ATOM 1262 N VAL A 76 96.135 -0.874 2.550 1.00 0.00 N ATOM 1263 CA VAL A 76 95.117 -1.823 2.983 1.00 0.00 C ATOM 1264 C VAL A 76 94.287 -2.322 1.802 1.00 0.00 C ATOM 1265 O VAL A 76 94.082 -1.595 0.825 1.00 0.00 O ATOM 1266 CB VAL A 76 94.187 -1.187 4.048 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.414 -0.012 3.470 1.00 0.00 C ATOM 1268 CG2 VAL A 76 93.236 -2.218 4.634 1.00 0.00 C ATOM 0 H VAL A 76 95.765 -0.016 2.140 1.00 0.00 H new ATOM 0 HA VAL A 76 95.633 -2.674 3.427 1.00 0.00 H new ATOM 0 HB VAL A 76 94.819 -0.814 4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.770 0.414 4.240 1.00 0.00 H new ATOM 0 HG12 VAL A 76 94.114 0.747 3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.803 -0.354 2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.597 -1.742 5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.619 -2.637 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.810 -3.016 5.106 1.00 0.00 H new ATOM 1278 N TYR A 77 93.835 -3.569 1.888 1.00 0.00 N ATOM 1279 CA TYR A 77 93.005 -4.162 0.853 1.00 0.00 C ATOM 1280 C TYR A 77 92.122 -5.266 1.428 1.00 0.00 C ATOM 1281 O TYR A 77 92.452 -5.874 2.448 1.00 0.00 O ATOM 1282 CB TYR A 77 93.880 -4.732 -0.273 1.00 0.00 C ATOM 1283 CG TYR A 77 94.885 -5.773 0.180 1.00 0.00 C ATOM 1284 CD1 TYR A 77 96.160 -5.401 0.586 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.563 -7.123 0.193 1.00 0.00 C ATOM 1286 CE1 TYR A 77 97.083 -6.343 0.993 1.00 0.00 C ATOM 1287 CE2 TYR A 77 95.481 -8.072 0.597 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.740 -7.677 0.997 1.00 0.00 C ATOM 1289 OH TYR A 77 97.658 -8.619 1.399 1.00 0.00 O ATOM 0 H TYR A 77 94.033 -4.190 2.672 1.00 0.00 H new ATOM 0 HA TYR A 77 92.364 -3.379 0.447 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.233 -5.175 -1.030 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.415 -3.912 -0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 77 96.434 -4.356 0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.578 -7.437 -0.118 1.00 0.00 H new ATOM 0 HE1 TYR A 77 98.070 -6.036 1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 77 95.214 -9.119 0.600 1.00 0.00 H new ATOM 0 HH TYR A 77 97.257 -9.511 1.344 1.00 0.00 H new ATOM 1299 N PHE A 78 90.992 -5.513 0.779 1.00 0.00 N ATOM 1300 CA PHE A 78 90.163 -6.661 1.114 1.00 0.00 C ATOM 1301 C PHE A 78 89.960 -7.508 -0.132 1.00 0.00 C ATOM 1302 O PHE A 78 89.957 -6.988 -1.248 1.00 0.00 O ATOM 1303 CB PHE A 78 88.812 -6.244 1.720 1.00 0.00 C ATOM 1304 CG PHE A 78 87.832 -5.637 0.751 1.00 0.00 C ATOM 1305 CD1 PHE A 78 87.845 -4.279 0.489 1.00 0.00 C ATOM 1306 CD2 PHE A 78 86.886 -6.427 0.117 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.936 -3.719 -0.388 1.00 0.00 C ATOM 1308 CE2 PHE A 78 85.977 -5.875 -0.764 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.001 -4.518 -1.015 1.00 0.00 C ATOM 0 H PHE A 78 90.630 -4.935 0.020 1.00 0.00 H new ATOM 0 HA PHE A 78 90.677 -7.246 1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.351 -7.120 2.176 1.00 0.00 H new ATOM 0 HB3 PHE A 78 88.997 -5.528 2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.574 -3.649 0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 78 86.859 -7.488 0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 78 86.957 -2.657 -0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.249 -6.504 -1.255 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.290 -4.082 -1.701 1.00 0.00 H new ATOM 1319 N GLU A 79 89.806 -8.804 0.059 1.00 0.00 N ATOM 1320 CA GLU A 79 89.723 -9.732 -1.058 1.00 0.00 C ATOM 1321 C GLU A 79 88.280 -10.156 -1.300 1.00 0.00 C ATOM 1322 O GLU A 79 87.543 -10.448 -0.357 1.00 0.00 O ATOM 1323 CB GLU A 79 90.597 -10.952 -0.776 1.00 0.00 C ATOM 1324 CG GLU A 79 92.036 -10.591 -0.445 1.00 0.00 C ATOM 1325 CD GLU A 79 92.857 -11.786 -0.019 1.00 0.00 C ATOM 1326 OE1 GLU A 79 92.734 -12.209 1.152 1.00 0.00 O ATOM 1327 OE2 GLU A 79 93.629 -12.306 -0.849 1.00 0.00 O ATOM 0 H GLU A 79 89.735 -9.241 0.978 1.00 0.00 H new ATOM 0 HA GLU A 79 90.083 -9.234 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.169 -11.514 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 79 90.584 -11.609 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.500 -10.130 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.045 -9.847 0.352 1.00 0.00 H new ATOM 1334 N THR A 80 87.880 -10.172 -2.562 1.00 0.00 N ATOM 1335 CA THR A 80 86.533 -10.575 -2.927 1.00 0.00 C ATOM 1336 C THR A 80 86.472 -12.078 -3.180 1.00 0.00 C ATOM 1337 O THR A 80 87.467 -12.786 -3.015 1.00 0.00 O ATOM 1338 CB THR A 80 86.047 -9.830 -4.188 1.00 0.00 C ATOM 1339 OG1 THR A 80 86.878 -10.161 -5.310 1.00 0.00 O ATOM 1340 CG2 THR A 80 86.065 -8.325 -3.967 1.00 0.00 C ATOM 0 H THR A 80 88.471 -9.910 -3.351 1.00 0.00 H new ATOM 0 HA THR A 80 85.880 -10.318 -2.093 1.00 0.00 H new ATOM 0 HB THR A 80 85.023 -10.142 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.315 -10.436 -6.064 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.719 -7.821 -4.869 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.408 -8.072 -3.135 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.081 -8.003 -3.739 1.00 0.00 H new ATOM 1348 N LEU A 81 85.303 -12.555 -3.597 1.00 0.00 N ATOM 1349 CA LEU A 81 85.111 -13.964 -3.918 1.00 0.00 C ATOM 1350 C LEU A 81 85.991 -14.349 -5.111 1.00 0.00 C ATOM 1351 O LEU A 81 86.387 -15.502 -5.266 1.00 0.00 O ATOM 1352 CB LEU A 81 83.621 -14.215 -4.223 1.00 0.00 C ATOM 1353 CG LEU A 81 83.127 -15.670 -4.131 1.00 0.00 C ATOM 1354 CD1 LEU A 81 83.524 -16.474 -5.361 1.00 0.00 C ATOM 1355 CD2 LEU A 81 83.653 -16.334 -2.865 1.00 0.00 C ATOM 0 H LEU A 81 84.469 -11.981 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 81 85.403 -14.583 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.028 -13.611 -3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 81 83.414 -13.849 -5.229 1.00 0.00 H new ATOM 0 HG LEU A 81 82.038 -15.648 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.159 -17.496 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 81 83.088 -16.018 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 81 84.610 -16.484 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 81 83.294 -17.362 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 81 84.743 -16.331 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 81 83.299 -15.785 -1.992 1.00 0.00 H new ATOM 1367 N ASP A 82 86.331 -13.355 -5.924 1.00 0.00 N ATOM 1368 CA ASP A 82 87.117 -13.580 -7.135 1.00 0.00 C ATOM 1369 C ASP A 82 88.604 -13.669 -6.808 1.00 0.00 C ATOM 1370 O ASP A 82 89.430 -13.809 -7.709 1.00 0.00 O ATOM 1371 CB ASP A 82 86.911 -12.434 -8.129 1.00 0.00 C ATOM 1372 CG ASP A 82 85.499 -11.894 -8.131 1.00 0.00 C ATOM 1373 OD1 ASP A 82 85.212 -10.991 -7.311 1.00 0.00 O ATOM 1374 OD2 ASP A 82 84.682 -12.349 -8.951 1.00 0.00 O ATOM 0 H ASP A 82 86.074 -12.381 -5.767 1.00 0.00 H new ATOM 0 HA ASP A 82 86.780 -14.519 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 82 87.602 -11.626 -7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 82 87.162 -12.781 -9.131 1.00 0.00 H new ATOM 1379 N ASN A 83 88.930 -13.560 -5.518 1.00 0.00 N ATOM 1380 CA ASN A 83 90.321 -13.541 -5.042 1.00 0.00 C ATOM 1381 C ASN A 83 91.003 -12.226 -5.414 1.00 0.00 C ATOM 1382 O ASN A 83 92.203 -12.052 -5.200 1.00 0.00 O ATOM 1383 CB ASN A 83 91.129 -14.734 -5.578 1.00 0.00 C ATOM 1384 CG ASN A 83 90.734 -16.055 -4.938 1.00 0.00 C ATOM 1385 OD1 ASN A 83 91.271 -16.437 -3.899 1.00 0.00 O ATOM 1386 ND2 ASN A 83 89.809 -16.768 -5.563 1.00 0.00 N ATOM 0 H ASN A 83 88.239 -13.482 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 83 90.290 -13.626 -3.956 1.00 0.00 H new ATOM 0 HB2 ASN A 83 90.991 -14.804 -6.657 1.00 0.00 H new ATOM 0 HB3 ASN A 83 92.190 -14.555 -5.403 1.00 0.00 H new ATOM 0 HD21 ASN A 83 89.518 -17.669 -5.185 1.00 0.00 H new ATOM 0 HD22 ASN A 83 89.388 -16.416 -6.423 1.00 0.00 H new ATOM 1393 N VAL A 84 90.222 -11.301 -5.956 1.00 0.00 N ATOM 1394 CA VAL A 84 90.717 -9.984 -6.327 1.00 0.00 C ATOM 1395 C VAL A 84 90.715 -9.072 -5.108 1.00 0.00 C ATOM 1396 O VAL A 84 89.727 -9.015 -4.373 1.00 0.00 O ATOM 1397 CB VAL A 84 89.853 -9.359 -7.448 1.00 0.00 C ATOM 1398 CG1 VAL A 84 90.331 -7.959 -7.797 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.860 -10.247 -8.683 1.00 0.00 C ATOM 0 H VAL A 84 89.231 -11.443 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 84 91.735 -10.095 -6.701 1.00 0.00 H new ATOM 0 HB VAL A 84 88.830 -9.281 -7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 84 89.704 -7.547 -8.588 1.00 0.00 H new ATOM 0 HG12 VAL A 84 90.268 -7.322 -6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 84 91.365 -8.002 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 84 89.247 -9.792 -9.462 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.882 -10.359 -9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.456 -11.227 -8.429 1.00 0.00 H new ATOM 1409 N ARG A 85 91.816 -8.368 -4.885 1.00 0.00 N ATOM 1410 CA ARG A 85 91.932 -7.514 -3.718 1.00 0.00 C ATOM 1411 C ARG A 85 91.701 -6.050 -4.083 1.00 0.00 C ATOM 1412 O ARG A 85 92.254 -5.536 -5.058 1.00 0.00 O ATOM 1413 CB ARG A 85 93.296 -7.702 -3.037 1.00 0.00 C ATOM 1414 CG ARG A 85 94.490 -7.274 -3.877 1.00 0.00 C ATOM 1415 CD ARG A 85 95.802 -7.549 -3.157 1.00 0.00 C ATOM 1416 NE ARG A 85 96.956 -7.015 -3.881 1.00 0.00 N ATOM 1417 CZ ARG A 85 98.217 -7.127 -3.461 1.00 0.00 C ATOM 1418 NH1 ARG A 85 98.491 -7.802 -2.347 1.00 0.00 N ATOM 1419 NH2 ARG A 85 99.202 -6.575 -4.160 1.00 0.00 N ATOM 0 H ARG A 85 92.635 -8.373 -5.494 1.00 0.00 H new ATOM 0 HA ARG A 85 91.157 -7.807 -3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 85 93.303 -7.136 -2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.413 -8.753 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 85 94.477 -7.806 -4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 85 94.414 -6.211 -4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 85 95.766 -7.109 -2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.924 -8.624 -3.027 1.00 0.00 H new ATOM 0 HE ARG A 85 96.786 -6.527 -4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 85 97.736 -8.234 -1.814 1.00 0.00 H new ATOM 0 HH12 ARG A 85 99.456 -7.887 -2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 85 98.994 -6.065 -5.019 1.00 0.00 H new ATOM 0 HH22 ARG A 85 100.166 -6.661 -3.838 1.00 0.00 H new ATOM 1433 N VAL A 86 90.853 -5.395 -3.309 1.00 0.00 N ATOM 1434 CA VAL A 86 90.578 -3.981 -3.492 1.00 0.00 C ATOM 1435 C VAL A 86 91.484 -3.168 -2.579 1.00 0.00 C ATOM 1436 O VAL A 86 91.337 -3.204 -1.359 1.00 0.00 O ATOM 1437 CB VAL A 86 89.101 -3.647 -3.196 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.822 -2.171 -3.433 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.180 -4.512 -4.043 1.00 0.00 C ATOM 0 H VAL A 86 90.339 -5.825 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 86 90.774 -3.728 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 86 88.906 -3.862 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.775 -1.960 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.455 -1.571 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 86 89.036 -1.923 -4.472 1.00 0.00 H new ATOM 0 HG21 VAL A 86 87.142 -4.263 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.379 -4.330 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.358 -5.563 -3.816 1.00 0.00 H new ATOM 1449 N VAL A 87 92.420 -2.447 -3.178 1.00 0.00 N ATOM 1450 CA VAL A 87 93.468 -1.766 -2.429 1.00 0.00 C ATOM 1451 C VAL A 87 93.211 -0.263 -2.358 1.00 0.00 C ATOM 1452 O VAL A 87 92.718 0.339 -3.316 1.00 0.00 O ATOM 1453 CB VAL A 87 94.856 -2.007 -3.071 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.973 -1.511 -2.163 1.00 0.00 C ATOM 1455 CG2 VAL A 87 95.053 -3.479 -3.410 1.00 0.00 C ATOM 0 H VAL A 87 92.476 -2.317 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 87 93.458 -2.179 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 87 94.896 -1.436 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.937 -1.693 -2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.851 -0.442 -1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.932 -2.042 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 87 96.036 -3.620 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 87 94.981 -4.075 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.283 -3.797 -4.113 1.00 0.00 H new ATOM 1465 N THR A 88 93.535 0.330 -1.218 1.00 0.00 N ATOM 1466 CA THR A 88 93.441 1.767 -1.043 1.00 0.00 C ATOM 1467 C THR A 88 94.475 2.229 -0.011 1.00 0.00 C ATOM 1468 O THR A 88 95.313 1.436 0.434 1.00 0.00 O ATOM 1469 CB THR A 88 92.020 2.193 -0.603 1.00 0.00 C ATOM 1470 OG1 THR A 88 91.863 3.611 -0.736 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.745 1.786 0.838 1.00 0.00 C ATOM 0 H THR A 88 93.868 -0.171 -0.394 1.00 0.00 H new ATOM 0 HA THR A 88 93.646 2.241 -2.003 1.00 0.00 H new ATOM 0 HB THR A 88 91.306 1.685 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 88 91.537 3.821 -1.636 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.739 2.099 1.119 1.00 0.00 H new ATOM 0 HG22 THR A 88 91.828 0.703 0.932 1.00 0.00 H new ATOM 0 HG23 THR A 88 92.471 2.264 1.496 1.00 0.00 H new ATOM 1479 N ASP A 89 94.421 3.500 0.362 1.00 0.00 N ATOM 1480 CA ASP A 89 95.359 4.053 1.329 1.00 0.00 C ATOM 1481 C ASP A 89 94.877 3.794 2.750 1.00 0.00 C ATOM 1482 O ASP A 89 93.804 4.246 3.145 1.00 0.00 O ATOM 1483 CB ASP A 89 95.537 5.553 1.107 1.00 0.00 C ATOM 1484 CG ASP A 89 96.571 6.151 2.038 1.00 0.00 C ATOM 1485 OD1 ASP A 89 97.769 6.127 1.691 1.00 0.00 O ATOM 1486 OD2 ASP A 89 96.194 6.649 3.116 1.00 0.00 O ATOM 0 H ASP A 89 93.736 4.169 0.009 1.00 0.00 H new ATOM 0 HA ASP A 89 96.321 3.560 1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 89 95.834 5.733 0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 89 94.582 6.056 1.256 1.00 0.00 H new ATOM 1491 N TYR A 90 95.683 3.072 3.517 1.00 0.00 N ATOM 1492 CA TYR A 90 95.320 2.691 4.877 1.00 0.00 C ATOM 1493 C TYR A 90 95.325 3.895 5.815 1.00 0.00 C ATOM 1494 O TYR A 90 94.434 4.035 6.653 1.00 0.00 O ATOM 1495 CB TYR A 90 96.284 1.615 5.387 1.00 0.00 C ATOM 1496 CG TYR A 90 96.133 1.273 6.856 1.00 0.00 C ATOM 1497 CD1 TYR A 90 95.146 0.395 7.292 1.00 0.00 C ATOM 1498 CD2 TYR A 90 96.983 1.825 7.807 1.00 0.00 C ATOM 1499 CE1 TYR A 90 95.012 0.082 8.632 1.00 0.00 C ATOM 1500 CE2 TYR A 90 96.854 1.516 9.147 1.00 0.00 C ATOM 1501 CZ TYR A 90 95.868 0.644 9.554 1.00 0.00 C ATOM 1502 OH TYR A 90 95.734 0.335 10.888 1.00 0.00 O ATOM 0 H TYR A 90 96.599 2.736 3.219 1.00 0.00 H new ATOM 0 HA TYR A 90 94.306 2.291 4.860 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.138 0.708 4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.306 1.949 5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 90 94.474 -0.049 6.573 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.758 2.508 7.493 1.00 0.00 H new ATOM 0 HE1 TYR A 90 94.240 -0.600 8.955 1.00 0.00 H new ATOM 0 HE2 TYR A 90 97.523 1.956 9.872 1.00 0.00 H new ATOM 0 HH TYR A 90 96.416 0.814 11.405 1.00 0.00 H new ATOM 1512 N SER A 91 96.316 4.761 5.658 1.00 0.00 N ATOM 1513 CA SER A 91 96.496 5.890 6.559 1.00 0.00 C ATOM 1514 C SER A 91 95.263 6.791 6.575 1.00 0.00 C ATOM 1515 O SER A 91 94.658 7.010 7.627 1.00 0.00 O ATOM 1516 CB SER A 91 97.734 6.693 6.154 1.00 0.00 C ATOM 1517 OG SER A 91 98.875 5.854 6.051 1.00 0.00 O ATOM 0 H SER A 91 97.010 4.703 4.912 1.00 0.00 H new ATOM 0 HA SER A 91 96.637 5.499 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 91 97.555 7.187 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 91 97.920 7.477 6.889 1.00 0.00 H new ATOM 0 HG SER A 91 99.653 6.390 5.789 1.00 0.00 H new ATOM 1523 N GLU A 92 94.874 7.287 5.407 1.00 0.00 N ATOM 1524 CA GLU A 92 93.761 8.221 5.315 1.00 0.00 C ATOM 1525 C GLU A 92 92.417 7.520 5.479 1.00 0.00 C ATOM 1526 O GLU A 92 91.452 8.131 5.940 1.00 0.00 O ATOM 1527 CB GLU A 92 93.820 8.995 4.002 1.00 0.00 C ATOM 1528 CG GLU A 92 94.897 10.068 4.009 1.00 0.00 C ATOM 1529 CD GLU A 92 95.103 10.713 2.656 1.00 0.00 C ATOM 1530 OE1 GLU A 92 94.277 11.561 2.264 1.00 0.00 O ATOM 1531 OE2 GLU A 92 96.103 10.383 1.986 1.00 0.00 O ATOM 0 H GLU A 92 95.311 7.059 4.514 1.00 0.00 H new ATOM 0 HA GLU A 92 93.854 8.929 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 92 94.008 8.301 3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 92 92.851 9.458 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 92 94.630 10.837 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.837 9.628 4.342 1.00 0.00 H new ATOM 1538 N PHE A 93 92.352 6.239 5.124 1.00 0.00 N ATOM 1539 CA PHE A 93 91.140 5.459 5.342 1.00 0.00 C ATOM 1540 C PHE A 93 90.831 5.387 6.833 1.00 0.00 C ATOM 1541 O PHE A 93 89.705 5.647 7.260 1.00 0.00 O ATOM 1542 CB PHE A 93 91.284 4.049 4.763 1.00 0.00 C ATOM 1543 CG PHE A 93 90.098 3.161 5.023 1.00 0.00 C ATOM 1544 CD1 PHE A 93 88.867 3.437 4.447 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.212 2.054 5.850 1.00 0.00 C ATOM 1546 CE1 PHE A 93 87.776 2.625 4.690 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.123 1.240 6.096 1.00 0.00 C ATOM 1548 CZ PHE A 93 87.903 1.526 5.515 1.00 0.00 C ATOM 0 H PHE A 93 93.117 5.724 4.688 1.00 0.00 H new ATOM 0 HA PHE A 93 90.315 5.953 4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.442 4.123 3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.174 3.583 5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 93 88.760 4.296 3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.163 1.825 6.307 1.00 0.00 H new ATOM 0 HE1 PHE A 93 86.823 2.850 4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.226 0.381 6.742 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.050 0.891 5.706 1.00 0.00 H new ATOM 1558 N GLN A 94 91.846 5.065 7.625 1.00 0.00 N ATOM 1559 CA GLN A 94 91.693 4.990 9.071 1.00 0.00 C ATOM 1560 C GLN A 94 91.383 6.362 9.658 1.00 0.00 C ATOM 1561 O GLN A 94 90.715 6.467 10.687 1.00 0.00 O ATOM 1562 CB GLN A 94 92.952 4.410 9.712 1.00 0.00 C ATOM 1563 CG GLN A 94 93.129 2.926 9.448 1.00 0.00 C ATOM 1564 CD GLN A 94 92.004 2.094 10.034 1.00 0.00 C ATOM 1565 OE1 GLN A 94 91.418 2.447 11.058 1.00 0.00 O ATOM 1566 NE2 GLN A 94 91.695 0.979 9.393 1.00 0.00 N ATOM 0 H GLN A 94 92.785 4.851 7.289 1.00 0.00 H new ATOM 0 HA GLN A 94 90.854 4.329 9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 94 93.823 4.946 9.335 1.00 0.00 H new ATOM 0 HB3 GLN A 94 92.915 4.579 10.788 1.00 0.00 H new ATOM 0 HG2 GLN A 94 93.181 2.755 8.373 1.00 0.00 H new ATOM 0 HG3 GLN A 94 94.078 2.596 9.869 1.00 0.00 H new ATOM 0 HE21 GLN A 94 92.203 0.719 8.547 1.00 0.00 H new ATOM 0 HE22 GLN A 94 90.949 0.379 9.744 1.00 0.00 H new ATOM 1575 N LYS A 95 91.859 7.410 8.998 1.00 0.00 N ATOM 1576 CA LYS A 95 91.556 8.772 9.420 1.00 0.00 C ATOM 1577 C LYS A 95 90.080 9.085 9.195 1.00 0.00 C ATOM 1578 O LYS A 95 89.512 9.940 9.867 1.00 0.00 O ATOM 1579 CB LYS A 95 92.433 9.787 8.686 1.00 0.00 C ATOM 1580 CG LYS A 95 93.915 9.636 8.993 1.00 0.00 C ATOM 1581 CD LYS A 95 94.738 10.739 8.352 1.00 0.00 C ATOM 1582 CE LYS A 95 96.220 10.570 8.654 1.00 0.00 C ATOM 1583 NZ LYS A 95 96.483 10.438 10.113 1.00 0.00 N ATOM 0 H LYS A 95 92.454 7.344 8.172 1.00 0.00 H new ATOM 0 HA LYS A 95 91.772 8.848 10.486 1.00 0.00 H new ATOM 0 HB2 LYS A 95 92.279 9.680 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.114 10.794 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 95 94.066 9.650 10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 95 94.264 8.667 8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 95 94.581 10.732 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 95 94.398 11.708 8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 95 96.596 9.687 8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 95 96.769 11.427 8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 97.502 10.546 10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 95.960 11.175 10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 96.171 9.501 10.439 1.00 0.00 H new ATOM 1597 N ILE A 96 89.460 8.382 8.253 1.00 0.00 N ATOM 1598 CA ILE A 96 88.026 8.514 8.020 1.00 0.00 C ATOM 1599 C ILE A 96 87.252 7.843 9.153 1.00 0.00 C ATOM 1600 O ILE A 96 86.237 8.362 9.622 1.00 0.00 O ATOM 1601 CB ILE A 96 87.615 7.905 6.662 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.347 8.625 5.528 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.106 7.991 6.465 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.078 8.041 4.159 1.00 0.00 C ATOM 0 H ILE A 96 89.928 7.715 7.639 1.00 0.00 H new ATOM 0 HA ILE A 96 87.784 9.577 7.995 1.00 0.00 H new ATOM 0 HB ILE A 96 87.895 6.852 6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.054 9.675 5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.419 8.593 5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 96 85.839 7.556 5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 96 85.603 7.443 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 96 85.795 9.035 6.490 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.632 8.605 3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.397 6.999 4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.011 8.098 3.942 1.00 0.00 H new ATOM 1616 N LEU A 97 87.751 6.698 9.608 1.00 0.00 N ATOM 1617 CA LEU A 97 87.181 6.026 10.776 1.00 0.00 C ATOM 1618 C LEU A 97 87.335 6.911 12.008 1.00 0.00 C ATOM 1619 O LEU A 97 86.445 6.985 12.854 1.00 0.00 O ATOM 1620 CB LEU A 97 87.858 4.674 11.027 1.00 0.00 C ATOM 1621 CG LEU A 97 87.395 3.508 10.144 1.00 0.00 C ATOM 1622 CD1 LEU A 97 85.888 3.327 10.235 1.00 0.00 C ATOM 1623 CD2 LEU A 97 87.820 3.705 8.698 1.00 0.00 C ATOM 0 H LEU A 97 88.546 6.216 9.189 1.00 0.00 H new ATOM 0 HA LEU A 97 86.124 5.847 10.579 1.00 0.00 H new ATOM 0 HB2 LEU A 97 88.932 4.799 10.893 1.00 0.00 H new ATOM 0 HB3 LEU A 97 87.697 4.399 12.069 1.00 0.00 H new ATOM 0 HG LEU A 97 87.876 2.603 10.515 1.00 0.00 H new ATOM 0 HD11 LEU A 97 85.583 2.495 9.601 1.00 0.00 H new ATOM 0 HD12 LEU A 97 85.608 3.118 11.268 1.00 0.00 H new ATOM 0 HD13 LEU A 97 85.391 4.238 9.902 1.00 0.00 H new ATOM 0 HD21 LEU A 97 87.476 2.861 8.100 1.00 0.00 H new ATOM 0 HD22 LEU A 97 87.382 4.626 8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 97 88.907 3.769 8.644 1.00 0.00 H new ATOM 1635 N LYS A 98 88.484 7.567 12.098 1.00 0.00 N ATOM 1636 CA LYS A 98 88.748 8.545 13.150 1.00 0.00 C ATOM 1637 C LYS A 98 87.826 9.755 13.020 1.00 0.00 C ATOM 1638 O LYS A 98 87.375 10.314 14.020 1.00 0.00 O ATOM 1639 CB LYS A 98 90.210 8.994 13.091 1.00 0.00 C ATOM 1640 CG LYS A 98 91.180 7.981 13.673 1.00 0.00 C ATOM 1641 CD LYS A 98 91.094 7.963 15.187 1.00 0.00 C ATOM 1642 CE LYS A 98 91.973 6.887 15.798 1.00 0.00 C ATOM 1643 NZ LYS A 98 92.050 7.035 17.273 1.00 0.00 N ATOM 0 H LYS A 98 89.259 7.438 11.447 1.00 0.00 H new ATOM 0 HA LYS A 98 88.554 8.071 14.112 1.00 0.00 H new ATOM 0 HB2 LYS A 98 90.480 9.189 12.053 1.00 0.00 H new ATOM 0 HB3 LYS A 98 90.314 9.936 13.630 1.00 0.00 H new ATOM 0 HG2 LYS A 98 90.957 6.989 13.280 1.00 0.00 H new ATOM 0 HG3 LYS A 98 92.197 8.225 13.365 1.00 0.00 H new ATOM 0 HD2 LYS A 98 91.390 8.937 15.578 1.00 0.00 H new ATOM 0 HD3 LYS A 98 90.059 7.799 15.489 1.00 0.00 H new ATOM 0 HE2 LYS A 98 91.576 5.903 15.548 1.00 0.00 H new ATOM 0 HE3 LYS A 98 92.974 6.945 15.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 92.657 6.287 17.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 92.451 7.965 17.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 91.096 6.956 17.680 1.00 0.00 H new ATOM 1657 N LYS A 99 87.563 10.143 11.778 1.00 0.00 N ATOM 1658 CA LYS A 99 86.697 11.275 11.468 1.00 0.00 C ATOM 1659 C LYS A 99 85.272 11.014 11.955 1.00 0.00 C ATOM 1660 O LYS A 99 84.661 11.864 12.603 1.00 0.00 O ATOM 1661 CB LYS A 99 86.712 11.518 9.954 1.00 0.00 C ATOM 1662 CG LYS A 99 85.917 12.726 9.495 1.00 0.00 C ATOM 1663 CD LYS A 99 85.953 12.848 7.979 1.00 0.00 C ATOM 1664 CE LYS A 99 85.246 14.100 7.497 1.00 0.00 C ATOM 1665 NZ LYS A 99 85.906 15.337 7.991 1.00 0.00 N ATOM 0 H LYS A 99 87.946 9.680 10.954 1.00 0.00 H new ATOM 0 HA LYS A 99 87.067 12.162 11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 99 87.746 11.637 9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 99 86.321 10.632 9.454 1.00 0.00 H new ATOM 0 HG2 LYS A 99 84.885 12.638 9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 99 86.325 13.630 9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 99 86.989 12.862 7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 99 85.484 11.971 7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 99 85.228 14.109 6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 99 84.209 14.083 7.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 85.562 16.155 7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 85.683 15.471 8.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 86.936 15.252 7.873 1.00 0.00 H new ATOM 1679 N ARG A 100 84.756 9.830 11.643 1.00 0.00 N ATOM 1680 CA ARG A 100 83.425 9.432 12.085 1.00 0.00 C ATOM 1681 C ARG A 100 83.418 9.138 13.584 1.00 0.00 C ATOM 1682 O ARG A 100 82.434 9.398 14.279 1.00 0.00 O ATOM 1683 CB ARG A 100 82.950 8.201 11.302 1.00 0.00 C ATOM 1684 CG ARG A 100 81.636 7.623 11.807 1.00 0.00 C ATOM 1685 CD ARG A 100 81.237 6.381 11.033 1.00 0.00 C ATOM 1686 NE ARG A 100 80.120 5.684 11.669 1.00 0.00 N ATOM 1687 CZ ARG A 100 79.316 4.830 11.042 1.00 0.00 C ATOM 1688 NH1 ARG A 100 79.458 4.608 9.742 1.00 0.00 N ATOM 1689 NH2 ARG A 100 78.361 4.205 11.714 1.00 0.00 N ATOM 0 H ARG A 100 85.241 9.128 11.084 1.00 0.00 H new ATOM 0 HA ARG A 100 82.740 10.258 11.893 1.00 0.00 H new ATOM 0 HB2 ARG A 100 82.838 8.471 10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 100 83.719 7.430 11.353 1.00 0.00 H new ATOM 0 HG2 ARG A 100 81.728 7.379 12.865 1.00 0.00 H new ATOM 0 HG3 ARG A 100 80.851 8.374 11.721 1.00 0.00 H new ATOM 0 HD2 ARG A 100 80.961 6.659 10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 100 82.091 5.708 10.959 1.00 0.00 H new ATOM 0 HE ARG A 100 79.946 5.864 12.658 1.00 0.00 H new ATOM 0 HH11 ARG A 100 80.187 5.093 9.218 1.00 0.00 H new ATOM 0 HH12 ARG A 100 78.839 3.952 9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 100 78.242 4.379 12.712 1.00 0.00 H new ATOM 0 HH22 ARG A 100 77.744 3.550 11.233 1.00 0.00 H new ATOM 1703 N GLY A 101 84.523 8.600 14.076 1.00 0.00 N ATOM 1704 CA GLY A 101 84.615 8.246 15.474 1.00 0.00 C ATOM 1705 C GLY A 101 84.255 6.797 15.713 1.00 0.00 C ATOM 1706 O GLY A 101 83.549 6.471 16.665 1.00 0.00 O ATOM 0 H GLY A 101 85.360 8.402 13.528 1.00 0.00 H new ATOM 0 HA2 GLY A 101 85.628 8.432 15.830 1.00 0.00 H new ATOM 0 HA3 GLY A 101 83.951 8.886 16.055 1.00 0.00 H new