USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 GLN : amide:sc= -8.16! C(o=-8.2!,f=-7.2!) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 74 ASN : amide:sc= -8.58! C(o=-12!,f=-9.3!) USER MOD Set 2.2: A 96 GLN : amide:sc= -3.73 K(o=-12,f=-13!) USER MOD Set 3.1: A 46 THR OG1 : rot 128:sc= -2.35 USER MOD Set 3.2: A 69 GLN : amide:sc= -7.13 K(o=-23,f=-26!) USER MOD Set 3.3: A 71 MET CE :methyl -155:sc= -13.3! (180deg=-15.5!) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0249) USER MOD Single : A 25 LYS NZ :NH3+ -139:sc= 0.318 (180deg=-0.0129) USER MOD Single : A 26 GLN : amide:sc= -0.327 K(o=-0.33,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 61:sc= 1.21 USER MOD Single : A 42 SER OG : rot -83:sc= 0.758 USER MOD Single : A 51 ASN : amide:sc= -0.346 K(o=-0.35,f=-2.4!) USER MOD Single : A 52 MET CE :methyl -145:sc= -3.79! (180deg=-4.08!) USER MOD Single : A 53 MET CE :methyl -164:sc= -7.47! (180deg=-9.63!) USER MOD Single : A 54 HIS : no HD1:sc= -0.107 K(o=-0.11,f=-0.63) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 90:sc= -0.636 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.3!) USER MOD Single : A 72 SER OG : rot -90:sc= -2.04 USER MOD Single : A 76 THR OG1 : rot 86:sc= 0.705 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 86 CYS SG : rot 68:sc= -0.791 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00741) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.21) USER MOD Single : B -1 TYR OH : rot 180:sc= -1.4 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.165 -9.202 -8.927 1.00 0.00 N ATOM 2 CA GLU A 17 -14.503 -8.629 -10.095 1.00 0.00 C ATOM 3 C GLU A 17 -13.545 -7.510 -9.694 1.00 0.00 C ATOM 4 O GLU A 17 -13.964 -6.475 -9.174 1.00 0.00 O ATOM 5 CB GLU A 17 -15.543 -8.093 -11.081 1.00 0.00 C ATOM 6 CG GLU A 17 -14.991 -7.847 -12.476 1.00 0.00 C ATOM 7 CD GLU A 17 -15.534 -6.578 -13.102 1.00 0.00 C ATOM 8 OE1 GLU A 17 -16.741 -6.542 -13.423 1.00 0.00 O ATOM 9 OE2 GLU A 17 -14.753 -5.619 -13.271 1.00 0.00 O ATOM 0 HA GLU A 17 -13.924 -9.419 -10.574 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.369 -8.802 -11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.953 -7.161 -10.692 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.904 -7.787 -12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.235 -8.696 -13.114 1.00 0.00 H new ATOM 16 N PHE A 18 -12.256 -7.723 -9.944 1.00 0.00 N ATOM 17 CA PHE A 18 -11.235 -6.732 -9.617 1.00 0.00 C ATOM 18 C PHE A 18 -11.513 -5.419 -10.339 1.00 0.00 C ATOM 19 O PHE A 18 -12.131 -5.408 -11.403 1.00 0.00 O ATOM 20 CB PHE A 18 -9.851 -7.249 -10.015 1.00 0.00 C ATOM 21 CG PHE A 18 -9.103 -7.905 -8.893 1.00 0.00 C ATOM 22 CD1 PHE A 18 -8.378 -7.146 -7.986 1.00 0.00 C ATOM 23 CD2 PHE A 18 -9.115 -9.281 -8.750 1.00 0.00 C ATOM 24 CE1 PHE A 18 -7.682 -7.751 -6.959 1.00 0.00 C ATOM 25 CE2 PHE A 18 -8.422 -9.892 -7.724 1.00 0.00 C ATOM 26 CZ PHE A 18 -7.702 -9.126 -6.828 1.00 0.00 C ATOM 0 H PHE A 18 -11.893 -8.574 -10.373 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.261 -6.558 -8.541 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.961 -7.963 -10.832 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.259 -6.417 -10.396 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.358 -6.071 -8.084 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -9.674 -9.885 -9.450 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.122 -7.150 -6.258 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.443 -10.967 -7.622 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.156 -9.601 -6.027 1.00 0.00 H new ATOM 36 N LYS A 19 -11.054 -4.314 -9.764 1.00 0.00 N ATOM 37 CA LYS A 19 -11.263 -3.010 -10.379 1.00 0.00 C ATOM 38 C LYS A 19 -10.397 -1.929 -9.739 1.00 0.00 C ATOM 39 O LYS A 19 -10.440 -1.711 -8.526 1.00 0.00 O ATOM 40 CB LYS A 19 -12.738 -2.615 -10.284 1.00 0.00 C ATOM 41 CG LYS A 19 -13.292 -2.667 -8.869 1.00 0.00 C ATOM 42 CD LYS A 19 -14.261 -1.525 -8.608 1.00 0.00 C ATOM 43 CE LYS A 19 -15.447 -1.574 -9.556 1.00 0.00 C ATOM 44 NZ LYS A 19 -16.567 -0.708 -9.091 1.00 0.00 N ATOM 0 H LYS A 19 -10.540 -4.294 -8.883 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.970 -3.093 -11.426 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.861 -1.606 -10.677 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.325 -3.278 -10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.799 -3.619 -8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.471 -2.620 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.615 -1.575 -7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.742 -0.573 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.131 -1.256 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.797 -2.602 -9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.381 -0.822 -9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.841 -0.983 -8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.261 0.286 -9.094 1.00 0.00 H new ATOM 58 N ASP A 20 -9.628 -1.242 -10.579 1.00 0.00 N ATOM 59 CA ASP A 20 -8.761 -0.155 -10.129 1.00 0.00 C ATOM 60 C ASP A 20 -9.602 1.053 -9.735 1.00 0.00 C ATOM 61 O ASP A 20 -10.104 1.779 -10.594 1.00 0.00 O ATOM 62 CB ASP A 20 -7.778 0.230 -11.236 1.00 0.00 C ATOM 63 CG ASP A 20 -8.481 0.648 -12.513 1.00 0.00 C ATOM 64 OD1 ASP A 20 -8.812 -0.241 -13.327 1.00 0.00 O ATOM 65 OD2 ASP A 20 -8.699 1.863 -12.701 1.00 0.00 O ATOM 0 H ASP A 20 -9.587 -1.420 -11.583 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.196 -0.493 -9.260 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.145 1.047 -10.889 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.122 -0.615 -11.445 1.00 0.00 H new ATOM 70 N VAL A 21 -9.762 1.260 -8.433 1.00 0.00 N ATOM 71 CA VAL A 21 -10.553 2.373 -7.930 1.00 0.00 C ATOM 72 C VAL A 21 -9.715 3.634 -7.791 1.00 0.00 C ATOM 73 O VAL A 21 -8.867 3.735 -6.903 1.00 0.00 O ATOM 74 CB VAL A 21 -11.189 2.045 -6.566 1.00 0.00 C ATOM 75 CG1 VAL A 21 -12.138 3.154 -6.134 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.910 0.706 -6.621 1.00 0.00 C ATOM 0 H VAL A 21 -9.354 0.671 -7.708 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.343 2.545 -8.661 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.393 1.973 -5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.576 2.902 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.588 4.091 -6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.930 3.264 -6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.353 0.491 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.695 0.746 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.199 -0.080 -6.878 1.00 0.00 H new ATOM 86 N PHE A 22 -9.964 4.599 -8.667 1.00 0.00 N ATOM 87 CA PHE A 22 -9.238 5.858 -8.636 1.00 0.00 C ATOM 88 C PHE A 22 -10.038 6.916 -7.884 1.00 0.00 C ATOM 89 O PHE A 22 -11.094 7.351 -8.343 1.00 0.00 O ATOM 90 CB PHE A 22 -8.940 6.339 -10.058 1.00 0.00 C ATOM 91 CG PHE A 22 -7.582 6.970 -10.221 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.757 7.189 -9.126 1.00 0.00 C ATOM 93 CD2 PHE A 22 -7.129 7.341 -11.477 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.517 7.762 -9.282 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.883 7.918 -11.633 1.00 0.00 C ATOM 96 CZ PHE A 22 -5.080 8.127 -10.530 1.00 0.00 C ATOM 0 H PHE A 22 -10.663 4.532 -9.407 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.294 5.696 -8.116 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.020 5.493 -10.741 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.702 7.060 -10.353 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.093 6.906 -8.140 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.755 7.178 -12.342 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.886 7.925 -8.421 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.538 8.205 -12.616 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.106 8.579 -10.650 1.00 0.00 H new ATOM 106 N ILE A 23 -9.534 7.321 -6.723 1.00 0.00 N ATOM 107 CA ILE A 23 -10.210 8.320 -5.908 1.00 0.00 C ATOM 108 C ILE A 23 -9.442 9.637 -5.887 1.00 0.00 C ATOM 109 O ILE A 23 -8.444 9.776 -5.179 1.00 0.00 O ATOM 110 CB ILE A 23 -10.403 7.820 -4.465 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.125 6.471 -4.470 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.175 8.842 -3.638 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.593 6.569 -4.836 1.00 0.00 C ATOM 0 H ILE A 23 -8.661 6.973 -6.327 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.186 8.491 -6.361 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.422 7.690 -4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.627 5.805 -5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.035 6.017 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.300 8.468 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.623 9.782 -3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.154 9.008 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.039 5.575 -4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.105 7.209 -4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.691 6.994 -5.835 1.00 0.00 H new ATOM 125 N GLU A 24 -9.926 10.603 -6.659 1.00 0.00 N ATOM 126 CA GLU A 24 -9.301 11.917 -6.725 1.00 0.00 C ATOM 127 C GLU A 24 -9.855 12.817 -5.627 1.00 0.00 C ATOM 128 O GLU A 24 -11.041 13.146 -5.622 1.00 0.00 O ATOM 129 CB GLU A 24 -9.536 12.553 -8.095 1.00 0.00 C ATOM 130 CG GLU A 24 -9.159 11.649 -9.259 1.00 0.00 C ATOM 131 CD GLU A 24 -9.707 12.146 -10.583 1.00 0.00 C ATOM 132 OE1 GLU A 24 -10.020 13.351 -10.682 1.00 0.00 O ATOM 133 OE2 GLU A 24 -9.823 11.329 -11.520 1.00 0.00 O ATOM 0 H GLU A 24 -10.752 10.500 -7.249 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.228 11.798 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.587 12.826 -8.184 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.960 13.476 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.073 11.578 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.533 10.643 -9.069 1.00 0.00 H new ATOM 140 N LYS A 25 -8.996 13.203 -4.692 1.00 0.00 N ATOM 141 CA LYS A 25 -9.411 14.054 -3.582 1.00 0.00 C ATOM 142 C LYS A 25 -8.300 15.019 -3.181 1.00 0.00 C ATOM 143 O LYS A 25 -7.280 15.124 -3.860 1.00 0.00 O ATOM 144 CB LYS A 25 -9.818 13.196 -2.380 1.00 0.00 C ATOM 145 CG LYS A 25 -8.964 11.949 -2.191 1.00 0.00 C ATOM 146 CD LYS A 25 -7.625 12.282 -1.555 1.00 0.00 C ATOM 147 CE LYS A 25 -6.914 11.032 -1.062 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.390 11.200 0.322 1.00 0.00 N ATOM 0 H LYS A 25 -8.010 12.942 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.269 14.640 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.760 13.804 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.859 12.896 -2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.497 11.233 -1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.800 11.469 -3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.995 12.798 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.778 12.967 -0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.603 10.188 -1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.091 10.793 -1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.445 10.772 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.329 12.213 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.030 10.732 0.995 1.00 0.00 H new ATOM 162 N GLN A 26 -8.507 15.719 -2.070 1.00 0.00 N ATOM 163 CA GLN A 26 -7.527 16.674 -1.572 1.00 0.00 C ATOM 164 C GLN A 26 -6.877 16.150 -0.298 1.00 0.00 C ATOM 165 O GLN A 26 -7.500 15.416 0.469 1.00 0.00 O ATOM 166 CB GLN A 26 -8.188 18.026 -1.306 1.00 0.00 C ATOM 167 CG GLN A 26 -8.256 18.924 -2.529 1.00 0.00 C ATOM 168 CD GLN A 26 -9.202 18.394 -3.589 1.00 0.00 C ATOM 169 OE1 GLN A 26 -8.802 17.632 -4.470 1.00 0.00 O ATOM 170 NE2 GLN A 26 -10.464 18.797 -3.510 1.00 0.00 N ATOM 0 H GLN A 26 -9.347 15.641 -1.497 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.756 16.805 -2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.198 17.859 -0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.638 18.541 -0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.577 19.921 -2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.258 19.027 -2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.752 19.429 -2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.146 18.475 -4.196 1.00 0.00 H new ATOM 179 N LYS A 27 -5.624 16.528 -0.079 1.00 0.00 N ATOM 180 CA LYS A 27 -4.897 16.091 1.104 1.00 0.00 C ATOM 181 C LYS A 27 -5.653 16.447 2.375 1.00 0.00 C ATOM 182 O LYS A 27 -6.370 17.447 2.423 1.00 0.00 O ATOM 183 CB LYS A 27 -3.506 16.709 1.126 1.00 0.00 C ATOM 184 CG LYS A 27 -2.508 15.934 0.289 1.00 0.00 C ATOM 185 CD LYS A 27 -1.726 16.849 -0.628 1.00 0.00 C ATOM 186 CE LYS A 27 -2.519 17.198 -1.877 1.00 0.00 C ATOM 187 NZ LYS A 27 -1.791 18.163 -2.746 1.00 0.00 N ATOM 0 H LYS A 27 -5.092 17.134 -0.703 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.802 15.006 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.563 17.734 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.151 16.757 2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.820 15.399 0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.033 15.185 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.465 17.763 -0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.791 16.367 -0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.728 16.288 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.481 17.623 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.365 18.375 -3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.614 19.041 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.884 17.748 -3.042 1.00 0.00 H new ATOM 201 N GLY A 28 -5.497 15.618 3.397 1.00 0.00 N ATOM 202 CA GLY A 28 -6.182 15.856 4.650 1.00 0.00 C ATOM 203 C GLY A 28 -7.638 15.435 4.594 1.00 0.00 C ATOM 204 O GLY A 28 -8.427 15.795 5.469 1.00 0.00 O ATOM 0 H GLY A 28 -4.908 14.785 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.678 15.310 5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.121 16.915 4.900 1.00 0.00 H new ATOM 208 N GLU A 29 -7.997 14.663 3.569 1.00 0.00 N ATOM 209 CA GLU A 29 -9.365 14.191 3.418 1.00 0.00 C ATOM 210 C GLU A 29 -9.388 12.683 3.229 1.00 0.00 C ATOM 211 O GLU A 29 -10.266 12.145 2.559 1.00 0.00 O ATOM 212 CB GLU A 29 -10.052 14.883 2.240 1.00 0.00 C ATOM 213 CG GLU A 29 -10.299 16.366 2.465 1.00 0.00 C ATOM 214 CD GLU A 29 -11.720 16.780 2.132 1.00 0.00 C ATOM 215 OE1 GLU A 29 -12.631 15.935 2.268 1.00 0.00 O ATOM 216 OE2 GLU A 29 -11.922 17.946 1.737 1.00 0.00 O ATOM 0 H GLU A 29 -7.359 14.354 2.835 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.912 14.439 4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.439 14.757 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.004 14.390 2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.088 16.611 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.604 16.943 1.854 1.00 0.00 H new ATOM 223 N ILE A 30 -8.406 12.027 3.847 1.00 0.00 N ATOM 224 CA ILE A 30 -8.250 10.565 3.807 1.00 0.00 C ATOM 225 C ILE A 30 -9.092 9.896 2.723 1.00 0.00 C ATOM 226 O ILE A 30 -8.586 9.533 1.661 1.00 0.00 O ATOM 227 CB ILE A 30 -8.585 9.925 5.171 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.623 10.752 5.929 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.326 9.763 6.007 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.699 9.905 6.562 1.00 0.00 C ATOM 0 H ILE A 30 -7.686 12.497 4.397 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.201 10.396 3.566 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.010 8.939 4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.122 11.333 6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.084 11.464 5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.581 9.310 6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.619 9.122 5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.874 10.740 6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.407 10.548 7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.223 9.344 5.788 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.246 9.211 7.270 1.00 0.00 H new ATOM 242 N LEU A 31 -10.376 9.731 3.008 1.00 0.00 N ATOM 243 CA LEU A 31 -11.308 9.100 2.079 1.00 0.00 C ATOM 244 C LEU A 31 -12.659 8.916 2.755 1.00 0.00 C ATOM 245 O LEU A 31 -13.702 9.249 2.192 1.00 0.00 O ATOM 246 CB LEU A 31 -10.766 7.745 1.607 1.00 0.00 C ATOM 247 CG LEU A 31 -10.730 7.555 0.090 1.00 0.00 C ATOM 248 CD1 LEU A 31 -9.405 8.038 -0.478 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.964 6.095 -0.267 1.00 0.00 C ATOM 0 H LEU A 31 -10.802 10.029 3.886 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.425 9.745 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.756 7.619 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.377 6.955 2.042 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.529 8.151 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.398 7.895 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.276 9.096 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.589 7.470 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.935 5.976 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.186 5.480 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.938 5.781 0.107 1.00 0.00 H new ATOM 261 N GLY A 32 -12.624 8.396 3.977 1.00 0.00 N ATOM 262 CA GLY A 32 -13.842 8.187 4.735 1.00 0.00 C ATOM 263 C GLY A 32 -14.473 6.828 4.509 1.00 0.00 C ATOM 264 O GLY A 32 -15.566 6.732 3.950 1.00 0.00 O ATOM 0 H GLY A 32 -11.769 8.115 4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.624 8.305 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.562 8.961 4.470 1.00 0.00 H new ATOM 268 N VAL A 33 -13.801 5.774 4.963 1.00 0.00 N ATOM 269 CA VAL A 33 -14.332 4.418 4.818 1.00 0.00 C ATOM 270 C VAL A 33 -13.850 3.509 5.947 1.00 0.00 C ATOM 271 O VAL A 33 -12.813 3.757 6.561 1.00 0.00 O ATOM 272 CB VAL A 33 -13.995 3.788 3.438 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.852 4.862 2.371 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.740 2.921 3.497 1.00 0.00 C ATOM 0 H VAL A 33 -12.896 5.829 5.430 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.417 4.508 4.878 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.829 3.140 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.616 4.396 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.787 5.415 2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.050 5.546 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.541 2.501 2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.892 3.530 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.890 2.113 4.213 1.00 0.00 H new ATOM 284 N VAL A 34 -14.613 2.454 6.213 1.00 0.00 N ATOM 285 CA VAL A 34 -14.268 1.504 7.262 1.00 0.00 C ATOM 286 C VAL A 34 -14.008 0.123 6.679 1.00 0.00 C ATOM 287 O VAL A 34 -14.816 -0.404 5.913 1.00 0.00 O ATOM 288 CB VAL A 34 -15.378 1.406 8.322 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.942 0.512 9.475 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.754 2.791 8.825 1.00 0.00 C ATOM 0 H VAL A 34 -15.476 2.236 5.715 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.360 1.872 7.739 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.258 0.958 7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.741 0.456 10.214 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.725 -0.488 9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.047 0.927 9.939 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.541 2.705 9.575 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.880 3.266 9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -16.112 3.396 7.992 1.00 0.00 H new ATOM 300 N ILE A 35 -12.869 -0.454 7.037 1.00 0.00 N ATOM 301 CA ILE A 35 -12.487 -1.766 6.548 1.00 0.00 C ATOM 302 C ILE A 35 -12.398 -2.783 7.680 1.00 0.00 C ATOM 303 O ILE A 35 -12.088 -2.437 8.819 1.00 0.00 O ATOM 304 CB ILE A 35 -11.139 -1.715 5.814 1.00 0.00 C ATOM 305 CG1 ILE A 35 -10.177 -0.755 6.507 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.342 -1.316 4.359 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.735 -1.178 6.386 1.00 0.00 C ATOM 0 H ILE A 35 -12.191 -0.028 7.669 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.266 -2.078 5.852 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.697 -2.711 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.295 0.241 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.442 -0.683 7.562 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.377 -1.284 3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.986 -2.046 3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.808 -0.332 4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.100 -0.456 6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.605 -2.161 6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.456 -1.223 5.333 1.00 0.00 H new ATOM 319 N VAL A 36 -12.674 -4.043 7.355 1.00 0.00 N ATOM 320 CA VAL A 36 -12.628 -5.119 8.339 1.00 0.00 C ATOM 321 C VAL A 36 -12.054 -6.395 7.729 1.00 0.00 C ATOM 322 O VAL A 36 -11.909 -6.501 6.513 1.00 0.00 O ATOM 323 CB VAL A 36 -14.030 -5.419 8.906 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.575 -4.210 9.649 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.977 -5.841 7.793 1.00 0.00 C ATOM 0 H VAL A 36 -12.932 -4.344 6.415 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.980 -4.783 9.149 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.947 -6.244 9.613 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.565 -4.440 10.042 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.907 -3.958 10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.644 -3.364 8.966 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.962 -6.049 8.212 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.057 -5.039 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.592 -6.739 7.309 1.00 0.00 H new ATOM 335 N GLU A 37 -11.728 -7.361 8.581 1.00 0.00 N ATOM 336 CA GLU A 37 -11.172 -8.631 8.122 1.00 0.00 C ATOM 337 C GLU A 37 -12.137 -9.345 7.179 1.00 0.00 C ATOM 338 O GLU A 37 -13.317 -9.509 7.488 1.00 0.00 O ATOM 339 CB GLU A 37 -10.847 -9.530 9.318 1.00 0.00 C ATOM 340 CG GLU A 37 -9.391 -9.464 9.750 1.00 0.00 C ATOM 341 CD GLU A 37 -9.181 -9.947 11.171 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.634 -11.066 11.491 1.00 0.00 O ATOM 343 OE2 GLU A 37 -8.565 -9.204 11.965 1.00 0.00 O ATOM 0 H GLU A 37 -11.839 -7.290 9.592 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.254 -8.419 7.574 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.480 -9.246 10.158 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.096 -10.561 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.787 -10.068 9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.037 -8.437 9.663 1.00 0.00 H new ATOM 350 N SER A 38 -11.622 -9.763 6.027 1.00 0.00 N ATOM 351 CA SER A 38 -12.429 -10.457 5.028 1.00 0.00 C ATOM 352 C SER A 38 -12.799 -11.863 5.492 1.00 0.00 C ATOM 353 O SER A 38 -12.134 -12.838 5.144 1.00 0.00 O ATOM 354 CB SER A 38 -11.671 -10.532 3.703 1.00 0.00 C ATOM 355 OG SER A 38 -10.581 -11.435 3.790 1.00 0.00 O ATOM 0 H SER A 38 -10.646 -9.633 5.761 1.00 0.00 H new ATOM 0 HA SER A 38 -13.350 -9.891 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.348 -10.850 2.910 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.306 -9.541 3.432 1.00 0.00 H new ATOM 0 HG SER A 38 -10.916 -12.333 3.995 1.00 0.00 H new ATOM 361 N GLY A 39 -13.866 -11.962 6.278 1.00 0.00 N ATOM 362 CA GLY A 39 -14.308 -13.255 6.773 1.00 0.00 C ATOM 363 C GLY A 39 -15.163 -14.010 5.774 1.00 0.00 C ATOM 364 O GLY A 39 -15.538 -15.158 6.014 1.00 0.00 O ATOM 0 H GLY A 39 -14.433 -11.171 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.436 -13.858 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.875 -13.112 7.693 1.00 0.00 H new ATOM 368 N TRP A 40 -15.463 -13.369 4.652 1.00 0.00 N ATOM 369 CA TRP A 40 -16.263 -13.982 3.597 1.00 0.00 C ATOM 370 C TRP A 40 -15.645 -15.310 3.156 1.00 0.00 C ATOM 371 O TRP A 40 -14.786 -15.862 3.844 1.00 0.00 O ATOM 372 CB TRP A 40 -16.336 -13.026 2.406 1.00 0.00 C ATOM 373 CG TRP A 40 -14.994 -12.776 1.784 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.775 -12.861 2.399 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.732 -12.405 0.429 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.776 -12.570 1.507 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.337 -12.285 0.293 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.542 -12.163 -0.684 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.734 -11.937 -0.908 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.942 -11.814 -1.878 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.548 -11.705 -1.983 1.00 0.00 C ATOM 0 H TRP A 40 -15.162 -12.416 4.447 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.265 -14.178 3.978 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.009 -13.438 1.655 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.764 -12.078 2.732 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.622 -13.120 3.436 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.777 -12.567 1.715 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.616 -12.247 -0.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.661 -11.852 -0.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.557 -11.622 -2.745 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.108 -11.433 -2.931 1.00 0.00 H new ATOM 392 N GLY A 41 -16.065 -15.811 1.997 1.00 0.00 N ATOM 393 CA GLY A 41 -15.513 -17.059 1.491 1.00 0.00 C ATOM 394 C GLY A 41 -13.994 -17.052 1.509 1.00 0.00 C ATOM 395 O GLY A 41 -13.360 -18.105 1.582 1.00 0.00 O ATOM 0 H GLY A 41 -16.772 -15.380 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.880 -17.890 2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.864 -17.225 0.472 1.00 0.00 H new ATOM 399 N SER A 42 -13.418 -15.852 1.451 1.00 0.00 N ATOM 400 CA SER A 42 -11.971 -15.665 1.466 1.00 0.00 C ATOM 401 C SER A 42 -11.366 -15.903 0.105 1.00 0.00 C ATOM 402 O SER A 42 -10.315 -16.527 -0.035 1.00 0.00 O ATOM 403 CB SER A 42 -11.304 -16.550 2.513 1.00 0.00 C ATOM 404 OG SER A 42 -10.977 -17.824 1.983 1.00 0.00 O ATOM 0 H SER A 42 -13.945 -14.981 1.392 1.00 0.00 H new ATOM 0 HA SER A 42 -11.787 -14.625 1.737 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.400 -16.064 2.879 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.970 -16.670 3.367 1.00 0.00 H new ATOM 0 HG SER A 42 -11.766 -18.404 2.015 1.00 0.00 H new ATOM 410 N ILE A 43 -12.029 -15.359 -0.889 1.00 0.00 N ATOM 411 CA ILE A 43 -11.570 -15.448 -2.255 1.00 0.00 C ATOM 412 C ILE A 43 -10.179 -14.834 -2.367 1.00 0.00 C ATOM 413 O ILE A 43 -9.310 -15.332 -3.083 1.00 0.00 O ATOM 414 CB ILE A 43 -12.537 -14.706 -3.168 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.929 -15.315 -3.045 1.00 0.00 C ATOM 416 CG2 ILE A 43 -12.049 -14.738 -4.593 1.00 0.00 C ATOM 417 CD1 ILE A 43 -15.007 -14.471 -3.674 1.00 0.00 C ATOM 0 H ILE A 43 -12.901 -14.843 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.525 -16.495 -2.555 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.590 -13.661 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.930 -16.300 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -14.162 -15.462 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.753 -14.203 -5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -11.070 -14.262 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.970 -15.772 -4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.972 -14.962 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -15.033 -13.494 -3.191 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.797 -14.345 -4.736 1.00 0.00 H new ATOM 429 N LEU A 44 -9.989 -13.755 -1.618 1.00 0.00 N ATOM 430 CA LEU A 44 -8.725 -13.037 -1.561 1.00 0.00 C ATOM 431 C LEU A 44 -8.564 -12.430 -0.170 1.00 0.00 C ATOM 432 O LEU A 44 -9.222 -11.445 0.158 1.00 0.00 O ATOM 433 CB LEU A 44 -8.671 -11.925 -2.615 1.00 0.00 C ATOM 434 CG LEU A 44 -9.371 -12.228 -3.943 1.00 0.00 C ATOM 435 CD1 LEU A 44 -10.805 -11.725 -3.917 1.00 0.00 C ATOM 436 CD2 LEU A 44 -8.606 -11.600 -5.099 1.00 0.00 C ATOM 0 H LEU A 44 -10.716 -13.351 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.915 -13.737 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.115 -11.025 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.625 -11.697 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.390 -13.308 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.286 -11.949 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.349 -12.217 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.810 -10.647 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.115 -11.824 -6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.559 -10.520 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.595 -12.006 -5.129 1.00 0.00 H new ATOM 448 N PRO A 45 -7.707 -13.015 0.680 1.00 0.00 N ATOM 449 CA PRO A 45 -7.499 -12.516 2.043 1.00 0.00 C ATOM 450 C PRO A 45 -7.162 -11.029 2.078 1.00 0.00 C ATOM 451 O PRO A 45 -6.005 -10.643 1.938 1.00 0.00 O ATOM 452 CB PRO A 45 -6.321 -13.345 2.552 1.00 0.00 C ATOM 453 CG PRO A 45 -6.358 -14.598 1.747 1.00 0.00 C ATOM 454 CD PRO A 45 -6.891 -14.210 0.396 1.00 0.00 C ATOM 0 HA PRO A 45 -8.399 -12.613 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.378 -12.816 2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.418 -13.557 3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.364 -15.036 1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.997 -15.345 2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.086 -13.989 -0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.488 -15.008 -0.045 1.00 0.00 H new ATOM 462 N THR A 46 -8.183 -10.200 2.275 1.00 0.00 N ATOM 463 CA THR A 46 -8.003 -8.750 2.342 1.00 0.00 C ATOM 464 C THR A 46 -8.981 -8.145 3.353 1.00 0.00 C ATOM 465 O THR A 46 -9.416 -8.823 4.283 1.00 0.00 O ATOM 466 CB THR A 46 -8.196 -8.100 0.958 1.00 0.00 C ATOM 467 OG1 THR A 46 -9.529 -7.649 0.792 1.00 0.00 O ATOM 468 CG2 THR A 46 -7.888 -9.014 -0.209 1.00 0.00 C ATOM 0 H THR A 46 -9.148 -10.508 2.392 1.00 0.00 H new ATOM 0 HA THR A 46 -6.983 -8.549 2.668 1.00 0.00 H new ATOM 0 HB THR A 46 -7.483 -7.276 0.946 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.524 -6.709 0.515 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.050 -8.477 -1.144 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.849 -9.339 -0.152 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.543 -9.884 -0.172 1.00 0.00 H new ATOM 476 N VAL A 47 -9.333 -6.874 3.163 1.00 0.00 N ATOM 477 CA VAL A 47 -10.268 -6.201 4.054 1.00 0.00 C ATOM 478 C VAL A 47 -11.602 -5.959 3.351 1.00 0.00 C ATOM 479 O VAL A 47 -11.693 -6.061 2.129 1.00 0.00 O ATOM 480 CB VAL A 47 -9.716 -4.856 4.562 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.847 -5.065 5.793 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.942 -4.137 3.464 1.00 0.00 C ATOM 0 H VAL A 47 -8.984 -6.293 2.401 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.415 -6.859 4.911 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.559 -4.226 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.466 -4.103 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.440 -5.524 6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.011 -5.717 5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.562 -3.190 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.107 -4.759 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.602 -3.947 2.618 1.00 0.00 H new ATOM 492 N ILE A 48 -12.635 -5.647 4.129 1.00 0.00 N ATOM 493 CA ILE A 48 -13.962 -5.402 3.568 1.00 0.00 C ATOM 494 C ILE A 48 -14.518 -4.050 3.992 1.00 0.00 C ATOM 495 O ILE A 48 -14.572 -3.738 5.181 1.00 0.00 O ATOM 496 CB ILE A 48 -14.988 -6.481 3.997 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.314 -7.643 4.722 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.754 -6.993 2.794 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.303 -8.583 5.377 1.00 0.00 C ATOM 0 H ILE A 48 -12.581 -5.558 5.144 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.825 -5.430 2.487 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.685 -6.012 4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.704 -8.202 4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.639 -7.248 5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.470 -7.750 3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.286 -6.167 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.058 -7.431 2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.764 -9.388 5.876 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.896 -8.035 6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.962 -9.004 4.618 1.00 0.00 H new ATOM 511 N ILE A 49 -14.976 -3.268 3.020 1.00 0.00 N ATOM 512 CA ILE A 49 -15.570 -1.986 3.306 1.00 0.00 C ATOM 513 C ILE A 49 -16.879 -2.206 4.036 1.00 0.00 C ATOM 514 O ILE A 49 -17.921 -2.435 3.423 1.00 0.00 O ATOM 515 CB ILE A 49 -15.807 -1.192 2.017 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.482 -1.001 1.285 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.453 0.145 2.322 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.627 -0.303 -0.043 1.00 0.00 C ATOM 0 H ILE A 49 -14.943 -3.508 2.029 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.890 -1.407 3.931 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.488 -1.750 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.806 -0.426 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.019 -1.975 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.612 0.692 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.411 -0.018 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.801 0.723 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.647 -0.200 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.278 -0.888 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.061 0.685 0.111 1.00 0.00 H new ATOM 530 N ALA A 50 -16.798 -2.179 5.352 1.00 0.00 N ATOM 531 CA ALA A 50 -17.952 -2.417 6.193 1.00 0.00 C ATOM 532 C ALA A 50 -18.674 -1.126 6.563 1.00 0.00 C ATOM 533 O ALA A 50 -19.742 -1.160 7.177 1.00 0.00 O ATOM 534 CB ALA A 50 -17.504 -3.159 7.436 1.00 0.00 C ATOM 0 H ALA A 50 -15.936 -1.993 5.864 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.668 -3.020 5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.364 -3.345 8.079 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.053 -4.109 7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.772 -2.558 7.975 1.00 0.00 H new ATOM 540 N ASN A 51 -18.098 0.010 6.189 1.00 0.00 N ATOM 541 CA ASN A 51 -18.712 1.299 6.488 1.00 0.00 C ATOM 542 C ASN A 51 -18.070 2.414 5.669 1.00 0.00 C ATOM 543 O ASN A 51 -16.977 2.249 5.127 1.00 0.00 O ATOM 544 CB ASN A 51 -18.599 1.609 7.983 1.00 0.00 C ATOM 545 CG ASN A 51 -19.953 1.695 8.661 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.982 1.838 8.002 1.00 0.00 O ATOM 547 ND2 ASN A 51 -19.957 1.609 9.986 1.00 0.00 N ATOM 0 H ASN A 51 -17.214 0.066 5.683 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.766 1.242 6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -18.002 0.836 8.467 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -18.069 2.552 8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.838 1.661 10.498 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -19.079 1.491 10.492 1.00 0.00 H new ATOM 554 N MET A 52 -18.759 3.547 5.577 1.00 0.00 N ATOM 555 CA MET A 52 -18.256 4.685 4.818 1.00 0.00 C ATOM 556 C MET A 52 -18.766 6.002 5.393 1.00 0.00 C ATOM 557 O MET A 52 -19.902 6.090 5.860 1.00 0.00 O ATOM 558 CB MET A 52 -18.664 4.559 3.349 1.00 0.00 C ATOM 559 CG MET A 52 -17.503 4.729 2.380 1.00 0.00 C ATOM 560 SD MET A 52 -17.264 3.291 1.318 1.00 0.00 S ATOM 561 CE MET A 52 -18.942 2.982 0.772 1.00 0.00 C ATOM 0 H MET A 52 -19.666 3.701 6.018 1.00 0.00 H new ATOM 0 HA MET A 52 -17.168 4.684 4.890 1.00 0.00 H new ATOM 0 HB2 MET A 52 -19.120 3.582 3.189 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.425 5.306 3.126 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.679 5.608 1.760 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.589 4.915 2.944 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.099 1.908 0.669 1.00 0.00 H new ATOM 0 HE2 MET A 52 -19.643 3.383 1.505 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.107 3.467 -0.190 1.00 0.00 H new ATOM 571 N MET A 53 -17.919 7.026 5.352 1.00 0.00 N ATOM 572 CA MET A 53 -18.279 8.344 5.863 1.00 0.00 C ATOM 573 C MET A 53 -19.532 8.868 5.168 1.00 0.00 C ATOM 574 O MET A 53 -20.295 9.645 5.744 1.00 0.00 O ATOM 575 CB MET A 53 -17.123 9.327 5.661 1.00 0.00 C ATOM 576 CG MET A 53 -16.144 9.368 6.825 1.00 0.00 C ATOM 577 SD MET A 53 -15.368 10.983 7.023 1.00 0.00 S ATOM 578 CE MET A 53 -13.649 10.584 6.709 1.00 0.00 C ATOM 0 H MET A 53 -16.976 6.968 4.969 1.00 0.00 H new ATOM 0 HA MET A 53 -18.484 8.251 6.929 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.583 9.058 4.753 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.530 10.326 5.505 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.667 9.106 7.744 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.372 8.614 6.672 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.016 11.396 7.066 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.388 9.664 7.232 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.497 10.449 5.638 1.00 0.00 H new ATOM 588 N HIS A 54 -19.738 8.437 3.927 1.00 0.00 N ATOM 589 CA HIS A 54 -20.898 8.861 3.152 1.00 0.00 C ATOM 590 C HIS A 54 -20.887 10.373 2.941 1.00 0.00 C ATOM 591 O HIS A 54 -21.800 11.079 3.372 1.00 0.00 O ATOM 592 CB HIS A 54 -22.190 8.439 3.854 1.00 0.00 C ATOM 593 CG HIS A 54 -23.406 8.551 2.988 1.00 0.00 C ATOM 594 ND1 HIS A 54 -24.253 9.640 3.015 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.916 7.703 2.063 1.00 0.00 C ATOM 596 CE1 HIS A 54 -25.231 9.455 2.146 1.00 0.00 C ATOM 597 NE2 HIS A 54 -25.050 8.289 1.555 1.00 0.00 N ATOM 0 H HIS A 54 -19.116 7.794 3.437 1.00 0.00 H new ATOM 0 HA HIS A 54 -20.850 8.376 2.177 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.089 7.408 4.193 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -22.329 9.055 4.743 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.507 6.745 1.778 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -26.042 10.142 1.952 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -25.654 7.888 0.838 1.00 0.00 H new ATOM 606 N GLY A 55 -19.846 10.865 2.276 1.00 0.00 N ATOM 607 CA GLY A 55 -19.735 12.288 2.021 1.00 0.00 C ATOM 608 C GLY A 55 -18.392 12.660 1.430 1.00 0.00 C ATOM 609 O GLY A 55 -18.297 13.578 0.614 1.00 0.00 O ATOM 0 H GLY A 55 -19.078 10.303 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.528 12.596 1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.884 12.835 2.952 1.00 0.00 H new ATOM 613 N GLY A 56 -17.353 11.941 1.837 1.00 0.00 N ATOM 614 CA GLY A 56 -16.025 12.208 1.327 1.00 0.00 C ATOM 615 C GLY A 56 -15.875 11.783 -0.120 1.00 0.00 C ATOM 616 O GLY A 56 -16.870 11.519 -0.795 1.00 0.00 O ATOM 0 H GLY A 56 -17.408 11.178 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.810 13.273 1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.290 11.683 1.937 1.00 0.00 H new ATOM 620 N PRO A 57 -14.637 11.700 -0.631 1.00 0.00 N ATOM 621 CA PRO A 57 -14.384 11.294 -2.015 1.00 0.00 C ATOM 622 C PRO A 57 -14.704 9.822 -2.257 1.00 0.00 C ATOM 623 O PRO A 57 -14.851 9.392 -3.401 1.00 0.00 O ATOM 624 CB PRO A 57 -12.889 11.554 -2.197 1.00 0.00 C ATOM 625 CG PRO A 57 -12.319 11.476 -0.823 1.00 0.00 C ATOM 626 CD PRO A 57 -13.389 11.990 0.100 1.00 0.00 C ATOM 0 HA PRO A 57 -15.012 11.840 -2.719 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.436 10.813 -2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.709 12.531 -2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.046 10.451 -0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.413 12.076 -0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.363 11.486 1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.275 13.057 0.293 1.00 0.00 H new ATOM 634 N ALA A 58 -14.814 9.055 -1.176 1.00 0.00 N ATOM 635 CA ALA A 58 -15.119 7.639 -1.277 1.00 0.00 C ATOM 636 C ALA A 58 -16.529 7.428 -1.814 1.00 0.00 C ATOM 637 O ALA A 58 -16.746 6.637 -2.733 1.00 0.00 O ATOM 638 CB ALA A 58 -14.958 6.965 0.077 1.00 0.00 C ATOM 0 H ALA A 58 -14.696 9.394 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.417 7.186 -1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.190 5.904 -0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.931 7.083 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.637 7.424 0.795 1.00 0.00 H new ATOM 644 N GLU A 59 -17.482 8.148 -1.235 1.00 0.00 N ATOM 645 CA GLU A 59 -18.875 8.052 -1.654 1.00 0.00 C ATOM 646 C GLU A 59 -19.103 8.820 -2.951 1.00 0.00 C ATOM 647 O GLU A 59 -19.912 8.422 -3.788 1.00 0.00 O ATOM 648 CB GLU A 59 -19.793 8.595 -0.556 1.00 0.00 C ATOM 649 CG GLU A 59 -21.062 7.781 -0.366 1.00 0.00 C ATOM 650 CD GLU A 59 -20.780 6.358 0.078 1.00 0.00 C ATOM 651 OE1 GLU A 59 -20.035 6.181 1.066 1.00 0.00 O ATOM 652 OE2 GLU A 59 -21.304 5.422 -0.560 1.00 0.00 O ATOM 0 H GLU A 59 -17.316 8.805 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.109 7.002 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.244 8.621 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.063 9.623 -0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.696 8.270 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.621 7.762 -1.302 1.00 0.00 H new ATOM 659 N LYS A 60 -18.380 9.926 -3.109 1.00 0.00 N ATOM 660 CA LYS A 60 -18.499 10.754 -4.300 1.00 0.00 C ATOM 661 C LYS A 60 -18.156 9.960 -5.555 1.00 0.00 C ATOM 662 O LYS A 60 -18.882 10.001 -6.547 1.00 0.00 O ATOM 663 CB LYS A 60 -17.589 11.977 -4.188 1.00 0.00 C ATOM 664 CG LYS A 60 -18.137 13.059 -3.272 1.00 0.00 C ATOM 665 CD LYS A 60 -17.336 14.345 -3.391 1.00 0.00 C ATOM 666 CE LYS A 60 -17.874 15.424 -2.463 1.00 0.00 C ATOM 667 NZ LYS A 60 -17.090 16.685 -2.567 1.00 0.00 N ATOM 0 H LYS A 60 -17.705 10.268 -2.424 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.534 11.086 -4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.613 11.661 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.435 12.397 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.180 13.254 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.115 12.709 -2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.291 14.147 -3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.367 14.701 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.918 15.624 -2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.849 15.064 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.487 17.395 -1.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.099 16.500 -2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.135 17.042 -3.543 1.00 0.00 H new ATOM 681 N SER A 61 -17.043 9.235 -5.502 1.00 0.00 N ATOM 682 CA SER A 61 -16.601 8.427 -6.633 1.00 0.00 C ATOM 683 C SER A 61 -17.654 7.387 -6.998 1.00 0.00 C ATOM 684 O SER A 61 -18.061 7.279 -8.155 1.00 0.00 O ATOM 685 CB SER A 61 -15.277 7.735 -6.305 1.00 0.00 C ATOM 686 OG SER A 61 -14.176 8.579 -6.592 1.00 0.00 O ATOM 0 H SER A 61 -16.431 9.191 -4.688 1.00 0.00 H new ATOM 0 HA SER A 61 -16.455 9.088 -7.487 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.260 7.456 -5.252 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.192 6.813 -6.881 1.00 0.00 H new ATOM 0 HG SER A 61 -13.963 9.118 -5.802 1.00 0.00 H new ATOM 692 N GLY A 62 -18.087 6.619 -6.004 1.00 0.00 N ATOM 693 CA GLY A 62 -19.085 5.591 -6.242 1.00 0.00 C ATOM 694 C GLY A 62 -18.456 4.245 -6.542 1.00 0.00 C ATOM 695 O GLY A 62 -19.130 3.215 -6.503 1.00 0.00 O ATOM 0 H GLY A 62 -17.766 6.689 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.730 5.503 -5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.719 5.888 -7.077 1.00 0.00 H new ATOM 699 N LYS A 63 -17.161 4.254 -6.839 1.00 0.00 N ATOM 700 CA LYS A 63 -16.435 3.031 -7.144 1.00 0.00 C ATOM 701 C LYS A 63 -16.232 2.200 -5.880 1.00 0.00 C ATOM 702 O LYS A 63 -16.197 0.970 -5.933 1.00 0.00 O ATOM 703 CB LYS A 63 -15.080 3.365 -7.774 1.00 0.00 C ATOM 704 CG LYS A 63 -15.135 4.508 -8.781 1.00 0.00 C ATOM 705 CD LYS A 63 -14.903 4.020 -10.201 1.00 0.00 C ATOM 706 CE LYS A 63 -13.567 3.307 -10.335 1.00 0.00 C ATOM 707 NZ LYS A 63 -13.107 3.249 -11.752 1.00 0.00 N ATOM 0 H LYS A 63 -16.592 5.100 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.023 2.448 -7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.376 3.623 -6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.691 2.475 -8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.106 5.000 -8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.383 5.254 -8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.708 3.344 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.935 4.866 -10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.819 3.821 -9.731 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.655 2.295 -9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.193 2.755 -11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.808 2.736 -12.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.999 4.215 -12.122 1.00 0.00 H new ATOM 721 N LEU A 64 -16.105 2.882 -4.746 1.00 0.00 N ATOM 722 CA LEU A 64 -15.912 2.211 -3.466 1.00 0.00 C ATOM 723 C LEU A 64 -17.238 2.075 -2.726 1.00 0.00 C ATOM 724 O LEU A 64 -17.708 3.023 -2.096 1.00 0.00 O ATOM 725 CB LEU A 64 -14.914 2.984 -2.602 1.00 0.00 C ATOM 726 CG LEU A 64 -13.442 2.702 -2.900 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.546 3.647 -2.115 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.100 1.252 -2.583 1.00 0.00 C ATOM 0 H LEU A 64 -16.132 3.900 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.515 1.215 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.096 4.051 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.107 2.751 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.269 2.871 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.502 3.430 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.771 4.677 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.722 3.513 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.048 1.070 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.291 1.055 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.717 0.591 -3.192 1.00 0.00 H new ATOM 740 N ASN A 65 -17.835 0.891 -2.803 1.00 0.00 N ATOM 741 CA ASN A 65 -19.107 0.632 -2.138 1.00 0.00 C ATOM 742 C ASN A 65 -18.966 -0.495 -1.122 1.00 0.00 C ATOM 743 O ASN A 65 -18.211 -1.444 -1.334 1.00 0.00 O ATOM 744 CB ASN A 65 -20.181 0.276 -3.167 1.00 0.00 C ATOM 745 CG ASN A 65 -19.717 -0.785 -4.145 1.00 0.00 C ATOM 746 OD1 ASN A 65 -20.127 -1.944 -4.062 1.00 0.00 O ATOM 747 ND2 ASN A 65 -18.857 -0.396 -5.077 1.00 0.00 N ATOM 0 H ASN A 65 -17.459 0.096 -3.319 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.406 1.538 -1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -21.073 -0.076 -2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.465 1.173 -3.717 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.509 -1.067 -5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.544 0.574 -5.109 1.00 0.00 H new ATOM 754 N ILE A 66 -19.696 -0.384 -0.015 1.00 0.00 N ATOM 755 CA ILE A 66 -19.653 -1.390 1.035 1.00 0.00 C ATOM 756 C ILE A 66 -19.775 -2.801 0.470 1.00 0.00 C ATOM 757 O ILE A 66 -20.510 -3.039 -0.489 1.00 0.00 O ATOM 758 CB ILE A 66 -20.764 -1.136 2.060 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.594 0.265 2.634 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.745 -2.180 3.172 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.248 0.495 3.282 1.00 0.00 C ATOM 0 H ILE A 66 -20.325 0.396 0.175 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.684 -1.311 1.527 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.731 -1.215 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.733 0.995 1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.378 0.444 3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.545 -1.970 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -20.891 -3.171 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.785 -2.145 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -19.199 1.513 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.114 -0.211 4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.459 0.348 2.544 1.00 0.00 H new ATOM 773 N GLY A 67 -19.041 -3.727 1.071 1.00 0.00 N ATOM 774 CA GLY A 67 -19.066 -5.106 0.616 1.00 0.00 C ATOM 775 C GLY A 67 -17.980 -5.402 -0.402 1.00 0.00 C ATOM 776 O GLY A 67 -17.969 -6.473 -1.011 1.00 0.00 O ATOM 0 H GLY A 67 -18.428 -3.550 1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -18.947 -5.770 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.040 -5.323 0.177 1.00 0.00 H new ATOM 780 N ASP A 68 -17.062 -4.456 -0.590 1.00 0.00 N ATOM 781 CA ASP A 68 -15.970 -4.626 -1.539 1.00 0.00 C ATOM 782 C ASP A 68 -14.708 -5.103 -0.830 1.00 0.00 C ATOM 783 O ASP A 68 -14.529 -4.862 0.364 1.00 0.00 O ATOM 784 CB ASP A 68 -15.692 -3.312 -2.269 1.00 0.00 C ATOM 785 CG ASP A 68 -16.826 -2.911 -3.194 1.00 0.00 C ATOM 786 OD1 ASP A 68 -17.902 -3.541 -3.123 1.00 0.00 O ATOM 787 OD2 ASP A 68 -16.637 -1.965 -3.988 1.00 0.00 O ATOM 0 H ASP A 68 -17.055 -3.564 -0.096 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.266 -5.381 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.527 -2.521 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.773 -3.408 -2.847 1.00 0.00 H new ATOM 792 N GLN A 69 -13.835 -5.782 -1.569 1.00 0.00 N ATOM 793 CA GLN A 69 -12.594 -6.292 -0.998 1.00 0.00 C ATOM 794 C GLN A 69 -11.388 -5.545 -1.558 1.00 0.00 C ATOM 795 O GLN A 69 -11.056 -5.677 -2.735 1.00 0.00 O ATOM 796 CB GLN A 69 -12.452 -7.784 -1.282 1.00 0.00 C ATOM 797 CG GLN A 69 -13.120 -8.661 -0.240 1.00 0.00 C ATOM 798 CD GLN A 69 -12.256 -8.876 0.983 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.558 -8.374 2.066 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.175 -9.625 0.818 1.00 0.00 N ATOM 0 H GLN A 69 -13.964 -5.991 -2.559 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.631 -6.134 0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.881 -8.003 -2.260 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.393 -8.037 -1.335 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.063 -8.205 0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.361 -9.627 -0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.964 -10.021 -0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.554 -9.806 1.607 1.00 0.00 H new ATOM 809 N ILE A 70 -10.734 -4.763 -0.705 1.00 0.00 N ATOM 810 CA ILE A 70 -9.565 -3.999 -1.118 1.00 0.00 C ATOM 811 C ILE A 70 -8.295 -4.832 -0.996 1.00 0.00 C ATOM 812 O ILE A 70 -7.877 -5.188 0.105 1.00 0.00 O ATOM 813 CB ILE A 70 -9.406 -2.711 -0.288 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.741 -1.967 -0.191 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.338 -1.818 -0.901 1.00 0.00 C ATOM 816 CD1 ILE A 70 -11.049 -1.463 1.202 1.00 0.00 C ATOM 0 H ILE A 70 -10.994 -4.643 0.274 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.720 -3.727 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.093 -2.983 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.729 -1.123 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.543 -2.631 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.236 -0.911 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.386 -2.349 -0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.626 -1.553 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -12.009 -0.946 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.094 -2.305 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.267 -0.774 1.521 1.00 0.00 H new ATOM 828 N MET A 71 -7.687 -5.144 -2.137 1.00 0.00 N ATOM 829 CA MET A 71 -6.467 -5.941 -2.163 1.00 0.00 C ATOM 830 C MET A 71 -5.252 -5.104 -1.781 1.00 0.00 C ATOM 831 O MET A 71 -4.602 -5.361 -0.768 1.00 0.00 O ATOM 832 CB MET A 71 -6.257 -6.548 -3.549 1.00 0.00 C ATOM 833 CG MET A 71 -7.098 -7.784 -3.804 1.00 0.00 C ATOM 834 SD MET A 71 -8.844 -7.398 -4.024 1.00 0.00 S ATOM 835 CE MET A 71 -9.597 -8.803 -3.209 1.00 0.00 C ATOM 0 H MET A 71 -8.021 -4.856 -3.057 1.00 0.00 H new ATOM 0 HA MET A 71 -6.579 -6.741 -1.431 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.491 -5.798 -4.304 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.204 -6.804 -3.669 1.00 0.00 H new ATOM 0 HG2 MET A 71 -6.727 -8.294 -4.693 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.985 -8.475 -2.969 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.596 -8.966 -3.614 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.987 -9.691 -3.377 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.667 -8.608 -2.139 1.00 0.00 H new ATOM 845 N SER A 72 -4.944 -4.109 -2.606 1.00 0.00 N ATOM 846 CA SER A 72 -3.798 -3.241 -2.363 1.00 0.00 C ATOM 847 C SER A 72 -4.160 -1.777 -2.585 1.00 0.00 C ATOM 848 O SER A 72 -5.005 -1.454 -3.420 1.00 0.00 O ATOM 849 CB SER A 72 -2.638 -3.634 -3.280 1.00 0.00 C ATOM 850 OG SER A 72 -1.531 -2.767 -3.106 1.00 0.00 O ATOM 0 H SER A 72 -5.472 -3.884 -3.449 1.00 0.00 H new ATOM 0 HA SER A 72 -3.495 -3.364 -1.323 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.336 -4.660 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.966 -3.605 -4.319 1.00 0.00 H new ATOM 0 HG SER A 72 -1.607 -2.011 -3.726 1.00 0.00 H new ATOM 856 N ILE A 73 -3.513 -0.894 -1.830 1.00 0.00 N ATOM 857 CA ILE A 73 -3.759 0.534 -1.941 1.00 0.00 C ATOM 858 C ILE A 73 -2.488 1.272 -2.357 1.00 0.00 C ATOM 859 O ILE A 73 -1.507 1.309 -1.612 1.00 0.00 O ATOM 860 CB ILE A 73 -4.274 1.108 -0.605 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.642 0.510 -0.261 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.354 2.624 -0.668 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.645 -0.290 1.023 1.00 0.00 C ATOM 0 H ILE A 73 -2.812 -1.147 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.521 0.679 -2.706 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.570 0.837 0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.372 1.316 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.966 -0.132 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.719 3.009 0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.364 3.033 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.037 2.920 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.645 -0.683 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.940 -1.117 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.352 0.353 1.853 1.00 0.00 H new ATOM 875 N ASN A 74 -2.510 1.855 -3.550 1.00 0.00 N ATOM 876 CA ASN A 74 -1.360 2.590 -4.064 1.00 0.00 C ATOM 877 C ASN A 74 -0.145 1.677 -4.190 1.00 0.00 C ATOM 878 O ASN A 74 0.996 2.125 -4.067 1.00 0.00 O ATOM 879 CB ASN A 74 -1.029 3.768 -3.149 1.00 0.00 C ATOM 880 CG ASN A 74 -1.844 5.003 -3.476 1.00 0.00 C ATOM 881 OD1 ASN A 74 -1.553 5.717 -4.437 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.872 5.262 -2.677 1.00 0.00 N ATOM 0 H ASN A 74 -3.312 1.833 -4.180 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.616 2.968 -5.054 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.210 3.481 -2.113 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.032 4.003 -3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.457 6.080 -2.848 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.077 4.643 -1.892 1.00 0.00 H new ATOM 889 N GLY A 75 -0.395 0.396 -4.434 1.00 0.00 N ATOM 890 CA GLY A 75 0.691 -0.557 -4.569 1.00 0.00 C ATOM 891 C GLY A 75 0.959 -1.321 -3.285 1.00 0.00 C ATOM 892 O GLY A 75 1.568 -2.390 -3.308 1.00 0.00 O ATOM 0 H GLY A 75 -1.329 0.000 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.453 -1.263 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.597 -0.030 -4.870 1.00 0.00 H new ATOM 896 N THR A 76 0.505 -0.772 -2.163 1.00 0.00 N ATOM 897 CA THR A 76 0.701 -1.411 -0.868 1.00 0.00 C ATOM 898 C THR A 76 -0.146 -2.672 -0.754 1.00 0.00 C ATOM 899 O THR A 76 -1.326 -2.612 -0.409 1.00 0.00 O ATOM 900 CB THR A 76 0.352 -0.443 0.258 1.00 0.00 C ATOM 901 OG1 THR A 76 0.807 0.865 -0.045 1.00 0.00 O ATOM 902 CG2 THR A 76 0.943 -0.839 1.593 1.00 0.00 C ATOM 0 H THR A 76 -0.001 0.113 -2.125 1.00 0.00 H new ATOM 0 HA THR A 76 1.751 -1.691 -0.782 1.00 0.00 H new ATOM 0 HB THR A 76 -0.735 -0.473 0.338 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.128 1.333 -0.575 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.656 -0.108 2.349 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.570 -1.822 1.879 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.030 -0.872 1.514 1.00 0.00 H new ATOM 910 N SER A 77 0.465 -3.815 -1.048 1.00 0.00 N ATOM 911 CA SER A 77 -0.232 -5.095 -0.981 1.00 0.00 C ATOM 912 C SER A 77 -0.490 -5.498 0.466 1.00 0.00 C ATOM 913 O SER A 77 0.442 -5.645 1.256 1.00 0.00 O ATOM 914 CB SER A 77 0.583 -6.180 -1.689 1.00 0.00 C ATOM 915 OG SER A 77 1.030 -5.736 -2.958 1.00 0.00 O ATOM 0 H SER A 77 1.442 -3.881 -1.335 1.00 0.00 H new ATOM 0 HA SER A 77 -1.192 -4.985 -1.485 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.440 -6.455 -1.074 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.025 -7.077 -1.808 1.00 0.00 H new ATOM 0 HG SER A 77 1.549 -6.447 -3.389 1.00 0.00 H new ATOM 921 N LEU A 78 -1.762 -5.681 0.805 1.00 0.00 N ATOM 922 CA LEU A 78 -2.142 -6.074 2.157 1.00 0.00 C ATOM 923 C LEU A 78 -3.068 -7.284 2.127 1.00 0.00 C ATOM 924 O LEU A 78 -3.893 -7.472 3.022 1.00 0.00 O ATOM 925 CB LEU A 78 -2.825 -4.910 2.880 1.00 0.00 C ATOM 926 CG LEU A 78 -3.787 -4.089 2.023 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.152 -4.754 1.971 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.901 -2.672 2.566 1.00 0.00 C ATOM 0 H LEU A 78 -2.546 -5.564 0.163 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.236 -6.343 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.372 -5.305 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.056 -4.245 3.273 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.392 -4.039 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.825 -4.156 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.055 -5.750 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.557 -4.834 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.590 -2.099 1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.275 -2.703 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.920 -2.197 2.553 1.00 0.00 H new ATOM 940 N VAL A 79 -2.925 -8.104 1.090 1.00 0.00 N ATOM 941 CA VAL A 79 -3.745 -9.298 0.940 1.00 0.00 C ATOM 942 C VAL A 79 -3.292 -10.399 1.895 1.00 0.00 C ATOM 943 O VAL A 79 -2.499 -11.265 1.526 1.00 0.00 O ATOM 944 CB VAL A 79 -3.697 -9.834 -0.503 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.695 -10.968 -0.688 1.00 0.00 C ATOM 946 CG2 VAL A 79 -3.962 -8.715 -1.498 1.00 0.00 C ATOM 0 H VAL A 79 -2.247 -7.962 0.341 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.769 -9.011 1.179 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.698 -10.227 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.645 -11.333 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.454 -11.780 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.701 -10.604 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.924 -9.113 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.948 -8.289 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.204 -7.940 -1.384 1.00 0.00 H new ATOM 956 N GLY A 80 -3.806 -10.365 3.121 1.00 0.00 N ATOM 957 CA GLY A 80 -3.443 -11.369 4.105 1.00 0.00 C ATOM 958 C GLY A 80 -3.259 -10.788 5.492 1.00 0.00 C ATOM 959 O GLY A 80 -3.819 -11.294 6.465 1.00 0.00 O ATOM 0 H GLY A 80 -4.467 -9.661 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.216 -12.137 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.520 -11.859 3.795 1.00 0.00 H new ATOM 963 N LEU A 81 -2.468 -9.723 5.584 1.00 0.00 N ATOM 964 CA LEU A 81 -2.204 -9.070 6.869 1.00 0.00 C ATOM 965 C LEU A 81 -3.507 -8.759 7.607 1.00 0.00 C ATOM 966 O LEU A 81 -4.586 -8.778 7.015 1.00 0.00 O ATOM 967 CB LEU A 81 -1.383 -7.783 6.684 1.00 0.00 C ATOM 968 CG LEU A 81 -1.374 -7.187 5.272 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.235 -5.675 5.335 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.245 -7.791 4.447 1.00 0.00 C ATOM 0 H LEU A 81 -1.998 -9.292 4.788 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.621 -9.766 7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.766 -7.030 7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.353 -7.988 6.977 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.321 -7.427 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.230 -5.268 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.073 -5.255 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.302 -5.416 5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.253 -7.357 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.710 -7.579 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.384 -8.870 4.375 1.00 0.00 H new ATOM 982 N PRO A 82 -3.420 -8.473 8.919 1.00 0.00 N ATOM 983 CA PRO A 82 -4.595 -8.163 9.745 1.00 0.00 C ATOM 984 C PRO A 82 -5.323 -6.903 9.289 1.00 0.00 C ATOM 985 O PRO A 82 -4.937 -6.270 8.306 1.00 0.00 O ATOM 986 CB PRO A 82 -4.011 -7.964 11.148 1.00 0.00 C ATOM 987 CG PRO A 82 -2.569 -7.665 10.927 1.00 0.00 C ATOM 988 CD PRO A 82 -2.173 -8.436 9.701 1.00 0.00 C ATOM 0 HA PRO A 82 -5.342 -8.955 9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.508 -7.146 11.670 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.140 -8.857 11.759 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.409 -6.596 10.785 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.971 -7.965 11.788 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.369 -7.942 9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.822 -9.438 9.949 1.00 0.00 H new ATOM 996 N LEU A 83 -6.383 -6.549 10.012 1.00 0.00 N ATOM 997 CA LEU A 83 -7.177 -5.369 9.687 1.00 0.00 C ATOM 998 C LEU A 83 -6.484 -4.093 10.159 1.00 0.00 C ATOM 999 O LEU A 83 -6.420 -3.107 9.427 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.569 -5.481 10.320 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.324 -4.158 10.491 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.531 -3.481 9.144 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -10.656 -4.390 11.187 1.00 0.00 C ATOM 0 H LEU A 83 -6.712 -7.065 10.828 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.281 -5.316 8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.175 -6.149 9.707 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.467 -5.950 11.298 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.723 -3.497 11.115 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.069 -2.544 9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.563 -3.278 8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.110 -4.136 8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.178 -3.440 11.300 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.265 -5.070 10.591 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.482 -4.827 12.170 1.00 0.00 H new ATOM 1015 N SER A 84 -5.971 -4.117 11.386 1.00 0.00 N ATOM 1016 CA SER A 84 -5.290 -2.956 11.950 1.00 0.00 C ATOM 1017 C SER A 84 -4.185 -2.473 11.016 1.00 0.00 C ATOM 1018 O SER A 84 -3.999 -1.270 10.818 1.00 0.00 O ATOM 1019 CB SER A 84 -4.701 -3.301 13.320 1.00 0.00 C ATOM 1020 OG SER A 84 -4.021 -4.543 13.286 1.00 0.00 O ATOM 0 H SER A 84 -6.014 -4.925 12.007 1.00 0.00 H new ATOM 0 HA SER A 84 -6.020 -2.156 12.068 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.013 -2.515 13.632 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.498 -3.340 14.062 1.00 0.00 H new ATOM 0 HG SER A 84 -3.653 -4.739 14.173 1.00 0.00 H new ATOM 1026 N THR A 85 -3.460 -3.420 10.438 1.00 0.00 N ATOM 1027 CA THR A 85 -2.382 -3.095 9.521 1.00 0.00 C ATOM 1028 C THR A 85 -2.927 -2.444 8.255 1.00 0.00 C ATOM 1029 O THR A 85 -2.436 -1.402 7.829 1.00 0.00 O ATOM 1030 CB THR A 85 -1.587 -4.349 9.169 1.00 0.00 C ATOM 1031 OG1 THR A 85 -1.012 -4.925 10.330 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.468 -4.095 8.182 1.00 0.00 C ATOM 0 H THR A 85 -3.600 -4.419 10.589 1.00 0.00 H new ATOM 0 HA THR A 85 -1.718 -2.385 10.014 1.00 0.00 H new ATOM 0 HB THR A 85 -2.309 -5.024 8.709 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.509 -5.728 10.082 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.055 -5.029 7.977 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.883 -3.700 7.255 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.231 -3.372 8.603 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.944 -3.064 7.658 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.550 -2.541 6.434 1.00 0.00 C ATOM 1042 C CYS A 86 -5.020 -1.102 6.620 1.00 0.00 C ATOM 1043 O CYS A 86 -4.612 -0.206 5.876 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.722 -3.423 6.003 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.260 -5.129 5.623 1.00 0.00 S ATOM 0 H CYS A 86 -4.365 -3.927 8.001 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.789 -2.551 5.654 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.470 -3.428 6.796 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.192 -2.981 5.125 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.890 -5.732 6.714 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.875 -0.872 7.615 1.00 0.00 N ATOM 1052 CA GLN A 87 -6.375 0.473 7.875 1.00 0.00 C ATOM 1053 C GLN A 87 -5.213 1.456 7.925 1.00 0.00 C ATOM 1054 O GLN A 87 -5.257 2.520 7.309 1.00 0.00 O ATOM 1055 CB GLN A 87 -7.162 0.515 9.186 1.00 0.00 C ATOM 1056 CG GLN A 87 -6.393 -0.028 10.376 1.00 0.00 C ATOM 1057 CD GLN A 87 -7.238 -0.090 11.632 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -7.025 0.671 12.575 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -8.202 -1.002 11.647 1.00 0.00 N ATOM 0 H GLN A 87 -6.231 -1.590 8.246 1.00 0.00 H new ATOM 0 HA GLN A 87 -7.048 0.757 7.066 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.453 1.545 9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.081 -0.058 9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.023 -1.026 10.141 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -5.521 0.600 10.559 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.340 -1.611 10.841 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.804 -1.094 12.465 1.00 0.00 H new ATOM 1068 N SER A 88 -4.159 1.078 8.648 1.00 0.00 N ATOM 1069 CA SER A 88 -2.975 1.914 8.758 1.00 0.00 C ATOM 1070 C SER A 88 -2.416 2.227 7.373 1.00 0.00 C ATOM 1071 O SER A 88 -1.908 3.322 7.125 1.00 0.00 O ATOM 1072 CB SER A 88 -1.911 1.220 9.608 1.00 0.00 C ATOM 1073 OG SER A 88 -0.711 1.975 9.643 1.00 0.00 O ATOM 0 H SER A 88 -4.106 0.199 9.163 1.00 0.00 H new ATOM 0 HA SER A 88 -3.256 2.849 9.243 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.286 1.080 10.622 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.708 0.228 9.204 1.00 0.00 H new ATOM 0 HG SER A 88 -0.048 1.510 10.194 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.525 1.255 6.468 1.00 0.00 N ATOM 1080 CA ILE A 89 -2.044 1.421 5.102 1.00 0.00 C ATOM 1081 C ILE A 89 -2.749 2.586 4.422 1.00 0.00 C ATOM 1082 O ILE A 89 -2.115 3.425 3.783 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.274 0.148 4.257 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.688 -1.082 4.957 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.681 0.316 2.866 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.197 -1.246 4.772 1.00 0.00 C ATOM 0 H ILE A 89 -2.943 0.344 6.659 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.974 1.617 5.166 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.348 -0.005 4.153 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.906 -1.018 6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.190 -1.974 4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.853 -0.590 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.156 1.161 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.609 0.498 2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.139 -2.140 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.029 -1.344 3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.318 -0.373 5.174 1.00 0.00 H new ATOM 1098 N ILE A 90 -4.072 2.621 4.551 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.871 3.664 3.941 1.00 0.00 C ATOM 1100 C ILE A 90 -4.659 5.020 4.613 1.00 0.00 C ATOM 1101 O ILE A 90 -4.405 6.017 3.938 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.361 3.298 3.981 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.576 1.892 3.416 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -7.161 4.314 3.198 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.972 1.354 3.642 1.00 0.00 C ATOM 0 H ILE A 90 -4.610 1.932 5.077 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.543 3.747 2.905 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.702 3.307 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.370 1.904 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.856 1.213 3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.218 4.048 3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.022 5.302 3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.821 4.325 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.050 0.354 3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.176 1.309 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.697 2.011 3.162 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.767 5.066 5.939 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.580 6.325 6.657 1.00 0.00 C ATOM 1119 C LYS A 91 -3.160 6.854 6.483 1.00 0.00 C ATOM 1120 O LYS A 91 -2.891 8.030 6.727 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.906 6.182 8.142 1.00 0.00 C ATOM 1122 CG LYS A 91 -4.304 4.958 8.799 1.00 0.00 C ATOM 1123 CD LYS A 91 -5.301 4.308 9.738 1.00 0.00 C ATOM 1124 CE LYS A 91 -4.638 3.834 11.019 1.00 0.00 C ATOM 1125 NZ LYS A 91 -5.543 3.954 12.195 1.00 0.00 N ATOM 0 H LYS A 91 -4.979 4.262 6.530 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.276 7.043 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.554 7.071 8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -5.989 6.149 8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.997 4.243 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.407 5.240 9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.091 5.019 9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.774 3.463 9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.329 2.795 10.904 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.734 4.417 11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.050 3.620 13.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.818 4.949 12.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.394 3.377 12.038 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.256 5.980 6.059 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.877 6.376 5.855 1.00 0.00 C ATOM 1141 C GLY A 92 -0.670 7.127 4.552 1.00 0.00 C ATOM 1142 O GLY A 92 0.328 7.827 4.385 1.00 0.00 O ATOM 0 H GLY A 92 -2.455 5.001 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.557 7.004 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.244 5.489 5.863 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.612 6.979 3.622 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.521 7.650 2.329 1.00 0.00 C ATOM 1148 C LEU A 93 -2.674 8.631 2.134 1.00 0.00 C ATOM 1149 O LEU A 93 -3.265 8.704 1.057 1.00 0.00 O ATOM 1150 CB LEU A 93 -1.508 6.625 1.197 1.00 0.00 C ATOM 1151 CG LEU A 93 -2.688 5.654 1.199 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -3.660 5.991 0.080 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.202 4.219 1.077 1.00 0.00 C ATOM 0 H LEU A 93 -2.445 6.402 3.740 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.588 8.213 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.494 7.156 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.583 6.051 1.256 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.213 5.755 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.493 5.289 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.037 7.004 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.148 5.922 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.058 3.544 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.649 4.100 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.550 3.983 1.918 1.00 0.00 H new ATOM 1165 N LYS A 94 -2.988 9.384 3.182 1.00 0.00 N ATOM 1166 CA LYS A 94 -4.069 10.364 3.121 1.00 0.00 C ATOM 1167 C LYS A 94 -3.568 11.719 2.615 1.00 0.00 C ATOM 1168 O LYS A 94 -4.361 12.632 2.382 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.715 10.529 4.499 1.00 0.00 C ATOM 1170 CG LYS A 94 -3.813 11.207 5.520 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.340 12.580 5.908 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.205 12.826 7.403 1.00 0.00 C ATOM 1173 NZ LYS A 94 -4.233 14.278 7.732 1.00 0.00 N ATOM 0 H LYS A 94 -2.511 9.336 4.083 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.813 9.993 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.631 11.110 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.002 9.547 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.735 10.582 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.808 11.305 5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.794 13.349 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.387 12.665 5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.014 12.319 7.929 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.271 12.391 7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.104 14.404 8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.466 14.764 7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.148 14.681 7.446 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.251 11.850 2.457 1.00 0.00 N ATOM 1188 CA ASN A 95 -1.661 13.101 1.993 1.00 0.00 C ATOM 1189 C ASN A 95 -1.424 13.085 0.485 1.00 0.00 C ATOM 1190 O ASN A 95 -0.457 13.669 -0.005 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.342 13.367 2.721 1.00 0.00 C ATOM 1192 CG ASN A 95 -0.493 13.310 4.229 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -0.007 12.384 4.879 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -1.171 14.304 4.794 1.00 0.00 N ATOM 0 H ASN A 95 -1.577 11.108 2.643 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.367 13.901 2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.399 12.633 2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.038 14.347 2.433 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.306 14.320 5.805 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.557 15.051 4.217 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.319 12.434 -0.248 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.208 12.368 -1.700 1.00 0.00 C ATOM 1203 C GLN A 96 -3.498 12.848 -2.351 1.00 0.00 C ATOM 1204 O GLN A 96 -4.594 12.476 -1.930 1.00 0.00 O ATOM 1205 CB GLN A 96 -1.881 10.947 -2.165 1.00 0.00 C ATOM 1206 CG GLN A 96 -2.541 9.862 -1.334 1.00 0.00 C ATOM 1207 CD GLN A 96 -2.392 8.485 -1.952 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -3.360 7.907 -2.447 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -1.175 7.957 -1.929 1.00 0.00 N ATOM 0 H GLN A 96 -3.127 11.946 0.138 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.391 13.022 -2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.191 10.835 -3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.801 10.806 -2.138 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.104 9.858 -0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.600 10.092 -1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.403 8.473 -1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.012 7.035 -2.333 1.00 0.00 H new ATOM 1218 N SER A 97 -3.362 13.686 -3.371 1.00 0.00 N ATOM 1219 CA SER A 97 -4.519 14.228 -4.074 1.00 0.00 C ATOM 1220 C SER A 97 -5.233 13.157 -4.901 1.00 0.00 C ATOM 1221 O SER A 97 -6.320 13.393 -5.427 1.00 0.00 O ATOM 1222 CB SER A 97 -4.090 15.398 -4.963 1.00 0.00 C ATOM 1223 OG SER A 97 -3.925 14.992 -6.311 1.00 0.00 O ATOM 0 H SER A 97 -2.462 14.005 -3.730 1.00 0.00 H new ATOM 0 HA SER A 97 -5.228 14.587 -3.328 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.837 16.190 -4.909 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.155 15.816 -4.590 1.00 0.00 H new ATOM 0 HG SER A 97 -3.653 15.761 -6.853 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.622 11.981 -5.008 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.208 10.880 -5.764 1.00 0.00 C ATOM 1231 C ARG A 98 -4.882 9.541 -5.114 1.00 0.00 C ATOM 1232 O ARG A 98 -3.845 9.393 -4.469 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.716 10.895 -7.206 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.815 10.582 -8.200 1.00 0.00 C ATOM 1235 CD ARG A 98 -5.430 10.984 -9.605 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.419 12.437 -9.769 1.00 0.00 N ATOM 1237 CZ ARG A 98 -4.331 13.195 -9.645 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -3.159 12.650 -9.342 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -4.418 14.507 -9.816 1.00 0.00 N ATOM 0 H ARG A 98 -3.721 11.766 -4.581 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.290 11.011 -5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.295 11.875 -7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.911 10.168 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.035 9.515 -8.174 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.727 11.103 -7.910 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.444 10.584 -9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.130 10.543 -10.314 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.300 12.899 -9.993 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.086 11.642 -9.202 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.331 13.239 -9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.317 14.933 -10.042 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.586 15.090 -9.722 1.00 0.00 H new ATOM 1253 N VAL A 99 -5.777 8.568 -5.274 1.00 0.00 N ATOM 1254 CA VAL A 99 -5.572 7.249 -4.684 1.00 0.00 C ATOM 1255 C VAL A 99 -5.907 6.131 -5.666 1.00 0.00 C ATOM 1256 O VAL A 99 -7.049 5.996 -6.103 1.00 0.00 O ATOM 1257 CB VAL A 99 -6.423 7.067 -3.412 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -5.874 5.933 -2.562 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -6.479 8.360 -2.609 1.00 0.00 C ATOM 0 H VAL A 99 -6.644 8.667 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.515 7.188 -4.426 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.438 6.811 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.487 5.819 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.893 5.006 -3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.848 6.160 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.085 8.208 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.470 8.651 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.922 9.148 -3.218 1.00 0.00 H new ATOM 1269 N LYS A 100 -4.904 5.319 -5.995 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.088 4.197 -6.911 1.00 0.00 C ATOM 1271 C LYS A 100 -5.290 2.907 -6.130 1.00 0.00 C ATOM 1272 O LYS A 100 -4.324 2.283 -5.686 1.00 0.00 O ATOM 1273 CB LYS A 100 -3.871 4.045 -7.828 1.00 0.00 C ATOM 1274 CG LYS A 100 -3.482 5.323 -8.548 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.516 5.149 -10.059 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.899 4.753 -10.551 1.00 0.00 C ATOM 1277 NZ LYS A 100 -4.851 4.117 -11.896 1.00 0.00 N ATOM 0 H LYS A 100 -3.953 5.418 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.971 4.397 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.023 3.700 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.079 3.272 -8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.161 6.125 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.481 5.625 -8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.212 6.079 -10.539 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.794 4.388 -10.354 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.353 4.063 -9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.537 5.636 -10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.814 3.862 -12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.441 4.784 -12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.264 3.260 -11.854 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.542 2.507 -5.958 1.00 0.00 N ATOM 1292 CA LEU A 101 -6.850 1.288 -5.223 1.00 0.00 C ATOM 1293 C LEU A 101 -7.186 0.147 -6.172 1.00 0.00 C ATOM 1294 O LEU A 101 -7.661 0.368 -7.283 1.00 0.00 O ATOM 1295 CB LEU A 101 -8.023 1.511 -4.260 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.187 2.937 -3.732 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.648 3.229 -3.425 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.330 3.144 -2.493 1.00 0.00 C ATOM 0 H LEU A 101 -7.357 3.005 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.963 1.021 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.944 1.223 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.903 0.840 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.854 3.631 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.744 4.248 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.240 3.119 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.008 2.530 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.457 4.163 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.635 2.441 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.282 2.976 -2.743 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.950 -1.073 -5.714 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.245 -2.261 -6.501 1.00 0.00 C ATOM 1312 C ASN A 102 -8.113 -3.201 -5.682 1.00 0.00 C ATOM 1313 O ASN A 102 -7.609 -3.981 -4.875 1.00 0.00 O ATOM 1314 CB ASN A 102 -5.953 -2.959 -6.932 1.00 0.00 C ATOM 1315 CG ASN A 102 -5.606 -2.677 -8.380 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -4.466 -2.343 -8.704 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.592 -2.810 -9.260 1.00 0.00 N ATOM 0 H ASN A 102 -6.552 -1.267 -4.795 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.782 -1.969 -7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.134 -2.630 -6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.057 -4.034 -6.788 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.420 -2.633 -10.250 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.522 -3.089 -8.946 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.423 -3.099 -5.865 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.358 -3.919 -5.108 1.00 0.00 C ATOM 1326 C ILE A 103 -11.224 -4.791 -6.009 1.00 0.00 C ATOM 1327 O ILE A 103 -11.210 -4.653 -7.233 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.253 -3.040 -4.207 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.434 -2.457 -4.982 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.437 -1.915 -3.589 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.437 -1.783 -4.084 1.00 0.00 C ATOM 0 H ILE A 103 -9.860 -2.459 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.760 -4.582 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.649 -3.678 -3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.065 -1.738 -5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.927 -3.253 -5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.081 -1.304 -2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.632 -2.337 -2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.012 -1.297 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.255 -1.387 -4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.829 -2.506 -3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -12.954 -0.967 -3.546 1.00 0.00 H new ATOM 1343 N VAL A 104 -11.983 -5.685 -5.387 1.00 0.00 N ATOM 1344 CA VAL A 104 -12.870 -6.583 -6.112 1.00 0.00 C ATOM 1345 C VAL A 104 -14.324 -6.313 -5.742 1.00 0.00 C ATOM 1346 O VAL A 104 -14.718 -6.456 -4.582 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.532 -8.059 -5.821 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.446 -8.991 -6.603 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -11.073 -8.344 -6.144 1.00 0.00 C ATOM 0 H VAL A 104 -12.001 -5.807 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.727 -6.396 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.694 -8.242 -4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.187 -10.026 -6.380 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.482 -8.807 -6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.324 -8.808 -7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.851 -9.390 -5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.887 -8.139 -7.198 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.434 -7.707 -5.533 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.116 -5.911 -6.732 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.523 -5.609 -6.516 1.00 0.00 C ATOM 1361 C ARG A 105 -17.334 -6.887 -6.316 1.00 0.00 C ATOM 1362 O ARG A 105 -17.094 -7.895 -6.980 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.075 -4.819 -7.701 1.00 0.00 C ATOM 1364 CG ARG A 105 -18.542 -4.455 -7.560 1.00 0.00 C ATOM 1365 CD ARG A 105 -18.754 -2.949 -7.614 1.00 0.00 C ATOM 1366 NE ARG A 105 -20.068 -2.564 -7.105 1.00 0.00 N ATOM 1367 CZ ARG A 105 -21.194 -2.661 -7.809 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -21.171 -3.132 -9.049 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -22.347 -2.287 -7.271 1.00 0.00 N ATOM 0 H ARG A 105 -14.803 -5.787 -7.695 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.608 -5.007 -5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.493 -3.905 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -16.940 -5.404 -8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -19.114 -4.932 -8.356 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -18.925 -4.843 -6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -17.979 -2.452 -7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -18.648 -2.604 -8.643 1.00 0.00 H new ATOM 0 HE ARG A 105 -20.126 -2.199 -6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -20.287 -3.422 -9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -22.037 -3.204 -9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -22.371 -1.925 -6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -23.209 -2.361 -7.810 1.00 0.00 H new ATOM 1384 N PRO B -3 -16.155 2.889 14.007 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.029 1.980 13.767 1.00 0.00 C ATOM 1386 C PRO B -3 -13.839 2.689 13.131 1.00 0.00 C ATOM 1387 O PRO B -3 -13.910 3.875 12.811 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.612 0.944 12.804 1.00 0.00 C ATOM 1389 CG PRO B -3 -16.683 1.677 12.074 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.264 2.654 13.060 1.00 0.00 C ATOM 0 H2 PRO B -3 -15.836 3.854 13.924 1.00 0.00 H new ATOM 0 H3 PRO B -3 -16.492 2.767 14.962 1.00 0.00 H new ATOM 0 HA PRO B -3 -14.643 1.553 14.693 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -14.852 0.566 12.120 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -16.014 0.085 13.341 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -16.278 2.195 11.204 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.447 0.990 11.709 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -17.578 3.577 12.573 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.140 2.244 13.562 1.00 0.00 H new ATOM 1398 N VAL B -2 -12.745 1.955 12.948 1.00 0.00 N ATOM 1399 CA VAL B -2 -11.541 2.515 12.347 1.00 0.00 C ATOM 1400 C VAL B -2 -11.827 3.064 10.954 1.00 0.00 C ATOM 1401 O VAL B -2 -12.094 2.307 10.021 1.00 0.00 O ATOM 1402 CB VAL B -2 -10.418 1.465 12.253 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -9.975 1.034 13.643 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -10.875 0.265 11.433 1.00 0.00 C ATOM 0 H VAL B -2 -12.669 0.972 13.208 1.00 0.00 H new ATOM 0 HA VAL B -2 -11.213 3.328 12.995 1.00 0.00 H new ATOM 0 HB VAL B -2 -9.564 1.916 11.748 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -9.181 0.292 13.558 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -9.605 1.900 14.192 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -10.821 0.601 14.176 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -10.069 -0.466 11.378 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -11.745 -0.190 11.907 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -11.139 0.591 10.427 1.00 0.00 H new ATOM 1414 N TYR B -1 -11.777 4.385 10.822 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.039 5.036 9.543 1.00 0.00 C ATOM 1416 C TYR B -1 -10.737 5.425 8.847 1.00 0.00 C ATOM 1417 O TYR B -1 -9.773 5.834 9.494 1.00 0.00 O ATOM 1418 CB TYR B -1 -12.914 6.273 9.749 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.346 6.083 9.299 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -14.671 6.072 7.949 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.369 5.915 10.222 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -15.977 5.899 7.532 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -16.678 5.741 9.813 1.00 0.00 C ATOM 1424 CZ TYR B -1 -16.977 5.734 8.467 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.277 5.561 8.055 1.00 0.00 O ATOM 0 H TYR B -1 -11.558 5.026 11.584 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.567 4.327 8.905 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -12.906 6.541 10.805 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -12.479 7.111 9.204 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -13.891 6.201 7.213 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.139 5.920 11.277 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -16.214 5.893 6.478 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -17.462 5.611 10.544 1.00 0.00 H new ATOM 0 HH TYR B -1 -18.857 5.458 8.838 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.722 5.298 7.524 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.545 5.639 6.732 1.00 0.00 C ATOM 1437 C ILE B 0 -9.903 6.611 5.618 1.00 0.00 C ATOM 1438 O ILE B 0 -11.060 7.080 5.593 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.892 4.383 6.122 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.885 3.633 5.231 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.372 3.471 7.223 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -10.147 4.308 3.900 1.00 0.00 C ATOM 1443 OXT ILE B 0 -9.025 6.889 4.774 1.00 0.00 O ATOM 0 H ILE B 0 -11.514 4.961 6.976 1.00 0.00 H new ATOM 0 HA ILE B 0 -8.832 6.111 7.407 1.00 0.00 H new ATOM 0 HB ILE B 0 -8.052 4.699 5.504 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.507 2.627 5.049 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.829 3.527 5.765 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.913 2.588 6.778 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.630 4.005 7.817 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.199 3.166 7.864 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.860 3.716 3.326 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.556 5.304 4.071 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.213 4.390 3.344 1.00 0.00 H new