USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 891 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 94 MET CE :methyl -175:sc= -0.131 (180deg=-0.143) USER MOD Set 1.2: A 105 CYS SG : rot 159:sc= -3.82! USER MOD Set 2.1: A 25 ASN :FLIP amide:sc= -4.22! C(o=-6.9!,f=-3.5!) USER MOD Set 2.2: A 27 LYS NZ :NH3+ 149:sc= 0.677 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -170:sc= -0.0493 (180deg=-0.169) USER MOD Single : A 3 MET CE :methyl 152:sc= -0.2 (180deg=-0.836) USER MOD Single : A 8 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.2) USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0208) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -43:sc= 0.728 USER MOD Single : A 19 THR OG1 : rot -90:sc= -0.753 USER MOD Single : A 29 CYS SG : rot 112:sc= -0.526 USER MOD Single : A 34 TYR OH : rot 114:sc= 0.653 USER MOD Single : A 35 SER OG : rot 180:sc= -0.414 USER MOD Single : A 36 SER OG : rot -91:sc= 0.0818 USER MOD Single : A 37 GLN : amide:sc= -0.0983 X(o=-0.098,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 3:sc= -1.59 USER MOD Single : A 46 GLN :FLIP amide:sc= -2.56! C(o=-9!,f=-2.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00246 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.46) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.473 X(o=-0.47,f=-0.31) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0468 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0013 USER MOD Single : A 95 LYS NZ :NH3+ 165:sc=-0.00601 (180deg=-0.126) USER MOD Single : A 97 MET CE :methyl 154:sc= -0.715 (180deg=-1.45) USER MOD Single : A 99 GLN :FLIP amide:sc= -1.54 F(o=-4.3!,f=-1.5) USER MOD Single : A 104 CYS SG : rot -41:sc= -1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.216 7.714 -15.721 1.00 0.00 N ATOM 2 CA GLY A 1 -10.389 6.943 -16.219 1.00 0.00 C ATOM 3 C GLY A 1 -9.983 5.699 -16.986 1.00 0.00 C ATOM 4 O GLY A 1 -10.753 4.742 -17.081 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.540 8.454 -15.066 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.564 7.073 -15.225 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.724 8.154 -16.524 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.017 6.657 -15.375 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.993 7.582 -16.863 1.00 0.00 H new ATOM 10 N ALA A 2 -8.772 5.713 -17.534 1.00 0.00 N ATOM 11 CA ALA A 2 -8.266 4.579 -18.298 1.00 0.00 C ATOM 12 C ALA A 2 -7.337 3.717 -17.452 1.00 0.00 C ATOM 13 O ALA A 2 -7.526 2.503 -17.347 1.00 0.00 O ATOM 14 CB ALA A 2 -7.544 5.066 -19.546 1.00 0.00 C ATOM 0 H ALA A 2 -8.123 6.497 -17.463 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.116 3.965 -18.597 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.171 4.210 -20.108 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.235 5.635 -20.168 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.708 5.703 -19.257 1.00 0.00 H new ATOM 20 N MET A 3 -6.335 4.348 -16.849 1.00 0.00 N ATOM 21 CA MET A 3 -5.376 3.636 -16.011 1.00 0.00 C ATOM 22 C MET A 3 -5.048 4.439 -14.755 1.00 0.00 C ATOM 23 O MET A 3 -5.584 4.172 -13.681 1.00 0.00 O ATOM 24 CB MET A 3 -4.094 3.342 -16.795 1.00 0.00 C ATOM 25 CG MET A 3 -3.835 4.313 -17.936 1.00 0.00 C ATOM 26 SD MET A 3 -2.901 3.565 -19.287 1.00 0.00 S ATOM 27 CE MET A 3 -4.088 2.367 -19.894 1.00 0.00 C ATOM 0 H MET A 3 -6.166 5.351 -16.925 1.00 0.00 H new ATOM 0 HA MET A 3 -5.829 2.692 -15.708 1.00 0.00 H new ATOM 0 HB2 MET A 3 -3.247 3.367 -16.110 1.00 0.00 H new ATOM 0 HB3 MET A 3 -4.149 2.330 -17.197 1.00 0.00 H new ATOM 0 HG2 MET A 3 -4.787 4.681 -18.318 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.289 5.176 -17.556 1.00 0.00 H new ATOM 0 HE1 MET A 3 -3.913 2.186 -20.955 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.976 1.433 -19.344 1.00 0.00 H new ATOM 0 HE3 MET A 3 -5.098 2.752 -19.753 1.00 0.00 H new ATOM 37 N ASP A 4 -4.164 5.424 -14.898 1.00 0.00 N ATOM 38 CA ASP A 4 -3.767 6.263 -13.774 1.00 0.00 C ATOM 39 C ASP A 4 -3.240 7.615 -14.259 1.00 0.00 C ATOM 40 O ASP A 4 -2.060 7.925 -14.095 1.00 0.00 O ATOM 41 CB ASP A 4 -2.698 5.556 -12.937 1.00 0.00 C ATOM 42 CG ASP A 4 -1.679 4.828 -13.796 1.00 0.00 C ATOM 43 OD1 ASP A 4 -1.247 5.401 -14.819 1.00 0.00 O ATOM 44 OD2 ASP A 4 -1.316 3.686 -13.445 1.00 0.00 O ATOM 0 H ASP A 4 -3.710 5.659 -15.781 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.647 6.439 -13.156 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -2.186 6.288 -12.313 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -3.178 4.844 -12.265 1.00 0.00 H new ATOM 49 N PRO A 5 -4.112 8.440 -14.869 1.00 0.00 N ATOM 50 CA PRO A 5 -3.731 9.754 -15.380 1.00 0.00 C ATOM 51 C PRO A 5 -3.763 10.834 -14.299 1.00 0.00 C ATOM 52 O PRO A 5 -4.391 11.878 -14.472 1.00 0.00 O ATOM 53 CB PRO A 5 -4.797 10.022 -16.437 1.00 0.00 C ATOM 54 CG PRO A 5 -6.018 9.341 -15.915 1.00 0.00 C ATOM 55 CD PRO A 5 -5.542 8.154 -15.114 1.00 0.00 C ATOM 0 HA PRO A 5 -2.709 9.772 -15.759 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.965 11.091 -16.570 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -4.503 9.622 -17.408 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.603 10.018 -15.293 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -6.663 9.022 -16.733 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.095 8.055 -14.180 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.675 7.222 -15.664 1.00 0.00 H new ATOM 63 N GLU A 6 -3.081 10.570 -13.187 1.00 0.00 N ATOM 64 CA GLU A 6 -3.030 11.515 -12.077 1.00 0.00 C ATOM 65 C GLU A 6 -4.433 11.852 -11.579 1.00 0.00 C ATOM 66 O GLU A 6 -4.680 12.952 -11.083 1.00 0.00 O ATOM 67 CB GLU A 6 -2.301 12.795 -12.498 1.00 0.00 C ATOM 68 CG GLU A 6 -1.569 13.480 -11.357 1.00 0.00 C ATOM 69 CD GLU A 6 -1.646 14.993 -11.440 1.00 0.00 C ATOM 70 OE1 GLU A 6 -2.754 15.519 -11.679 1.00 0.00 O ATOM 71 OE2 GLU A 6 -0.597 15.651 -11.267 1.00 0.00 O ATOM 0 H GLU A 6 -2.556 9.709 -13.032 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.480 11.045 -11.261 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.586 12.554 -13.285 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.023 13.491 -12.925 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.992 13.150 -10.408 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.523 13.172 -11.364 1.00 0.00 H new ATOM 78 N PHE A 7 -5.346 10.895 -11.713 1.00 0.00 N ATOM 79 CA PHE A 7 -6.724 11.085 -11.275 1.00 0.00 C ATOM 80 C PHE A 7 -6.978 10.364 -9.955 1.00 0.00 C ATOM 81 O PHE A 7 -7.639 10.896 -9.063 1.00 0.00 O ATOM 82 CB PHE A 7 -7.699 10.579 -12.342 1.00 0.00 C ATOM 83 CG PHE A 7 -8.838 11.520 -12.614 1.00 0.00 C ATOM 84 CD1 PHE A 7 -9.658 11.955 -11.584 1.00 0.00 C ATOM 85 CD2 PHE A 7 -9.091 11.969 -13.900 1.00 0.00 C ATOM 86 CE1 PHE A 7 -10.707 12.820 -11.833 1.00 0.00 C ATOM 87 CE2 PHE A 7 -10.137 12.834 -14.155 1.00 0.00 C ATOM 88 CZ PHE A 7 -10.947 13.259 -13.120 1.00 0.00 C ATOM 0 H PHE A 7 -5.156 9.980 -12.122 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.886 12.152 -11.124 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.152 10.407 -13.269 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.102 9.617 -12.026 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.475 11.614 -10.576 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -8.462 11.638 -14.713 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -11.338 13.152 -11.022 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -10.321 13.178 -15.162 1.00 0.00 H new ATOM 0 HZ PHE A 7 -11.767 13.934 -13.317 1.00 0.00 H new ATOM 98 N ASN A 8 -6.447 9.150 -9.840 1.00 0.00 N ATOM 99 CA ASN A 8 -6.615 8.353 -8.630 1.00 0.00 C ATOM 100 C ASN A 8 -5.384 7.490 -8.370 1.00 0.00 C ATOM 101 O ASN A 8 -5.496 6.352 -7.912 1.00 0.00 O ATOM 102 CB ASN A 8 -7.858 7.470 -8.743 1.00 0.00 C ATOM 103 CG ASN A 8 -9.143 8.273 -8.694 1.00 0.00 C ATOM 104 OD1 ASN A 8 -9.608 8.657 -7.620 1.00 0.00 O ATOM 105 ND2 ASN A 8 -9.726 8.527 -9.859 1.00 0.00 N ATOM 0 H ASN A 8 -5.897 8.697 -10.570 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.740 9.037 -7.790 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.818 6.909 -9.677 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.857 6.741 -7.933 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.595 9.060 -9.889 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.305 8.189 -10.724 1.00 0.00 H new ATOM 112 N LYS A 9 -4.208 8.038 -8.666 1.00 0.00 N ATOM 113 CA LYS A 9 -2.957 7.318 -8.466 1.00 0.00 C ATOM 114 C LYS A 9 -2.671 7.117 -6.979 1.00 0.00 C ATOM 115 O LYS A 9 -2.221 8.034 -6.287 1.00 0.00 O ATOM 116 CB LYS A 9 -1.796 8.067 -9.123 1.00 0.00 C ATOM 117 CG LYS A 9 -0.529 7.236 -9.249 1.00 0.00 C ATOM 118 CD LYS A 9 -0.214 6.918 -10.701 1.00 0.00 C ATOM 119 CE LYS A 9 0.540 5.604 -10.831 1.00 0.00 C ATOM 120 NZ LYS A 9 1.865 5.658 -10.156 1.00 0.00 N ATOM 0 H LYS A 9 -4.097 8.978 -9.045 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.058 6.339 -8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.103 8.398 -10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.577 8.962 -8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.307 7.776 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.644 6.308 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.141 6.865 -11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.380 7.724 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.055 4.799 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.679 5.367 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.391 4.782 -10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.404 6.473 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.728 5.757 -9.130 1.00 0.00 H new ATOM 134 N ALA A 10 -2.950 5.916 -6.490 1.00 0.00 N ATOM 135 CA ALA A 10 -2.728 5.601 -5.088 1.00 0.00 C ATOM 136 C ALA A 10 -1.261 5.302 -4.814 1.00 0.00 C ATOM 137 O ALA A 10 -0.804 4.176 -4.994 1.00 0.00 O ATOM 138 CB ALA A 10 -3.603 4.430 -4.664 1.00 0.00 C ATOM 0 H ALA A 10 -3.329 5.147 -7.043 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.004 6.475 -4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.426 4.206 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.652 4.689 -4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.359 3.556 -5.268 1.00 0.00 H new ATOM 144 N ILE A 11 -0.523 6.320 -4.375 1.00 0.00 N ATOM 145 CA ILE A 11 0.896 6.163 -4.076 1.00 0.00 C ATOM 146 C ILE A 11 1.151 6.138 -2.573 1.00 0.00 C ATOM 147 O ILE A 11 0.946 7.136 -1.881 1.00 0.00 O ATOM 148 CB ILE A 11 1.735 7.297 -4.702 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.455 7.404 -6.200 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.220 7.065 -4.450 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.107 8.806 -6.651 1.00 0.00 C ATOM 0 H ILE A 11 -0.885 7.261 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 11 1.198 5.210 -4.509 1.00 0.00 H new ATOM 0 HB ILE A 11 1.450 8.238 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.331 7.061 -6.751 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.634 6.734 -6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.796 7.874 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.407 7.038 -3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.521 6.116 -4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.921 8.807 -7.725 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.213 9.145 -6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.936 9.477 -6.426 1.00 0.00 H new ATOM 163 N PHE A 12 1.618 4.997 -2.080 1.00 0.00 N ATOM 164 CA PHE A 12 1.926 4.838 -0.663 1.00 0.00 C ATOM 165 C PHE A 12 3.404 4.510 -0.493 1.00 0.00 C ATOM 166 O PHE A 12 3.849 3.418 -0.852 1.00 0.00 O ATOM 167 CB PHE A 12 1.067 3.731 -0.047 1.00 0.00 C ATOM 168 CG PHE A 12 -0.322 4.174 0.319 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.320 4.226 -0.640 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.627 4.539 1.620 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.598 4.633 -0.306 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.904 4.948 1.959 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.890 4.996 0.994 1.00 0.00 C ATOM 0 H PHE A 12 1.792 4.165 -2.643 1.00 0.00 H new ATOM 0 HA PHE A 12 1.703 5.772 -0.148 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.000 2.902 -0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.565 3.352 0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.097 3.946 -1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.141 4.504 2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.369 4.667 -1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.129 5.229 2.977 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.888 5.317 1.255 1.00 0.00 H new ATOM 183 N THR A 13 4.166 5.459 0.036 1.00 0.00 N ATOM 184 CA THR A 13 5.598 5.259 0.225 1.00 0.00 C ATOM 185 C THR A 13 5.924 4.758 1.623 1.00 0.00 C ATOM 186 O THR A 13 5.531 5.359 2.620 1.00 0.00 O ATOM 187 CB THR A 13 6.390 6.550 -0.036 1.00 0.00 C ATOM 188 OG1 THR A 13 5.925 7.179 -1.237 1.00 0.00 O ATOM 189 CG2 THR A 13 7.874 6.244 -0.160 1.00 0.00 C ATOM 0 H THR A 13 3.820 6.369 0.340 1.00 0.00 H new ATOM 0 HA THR A 13 5.893 4.501 -0.501 1.00 0.00 H new ATOM 0 HB THR A 13 6.237 7.226 0.805 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.434 8.001 -1.394 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.422 7.168 -0.345 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.230 5.790 0.764 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.035 5.555 -0.989 1.00 0.00 H new ATOM 197 N VAL A 14 6.649 3.644 1.679 1.00 0.00 N ATOM 198 CA VAL A 14 7.048 3.035 2.942 1.00 0.00 C ATOM 199 C VAL A 14 8.463 2.470 2.835 1.00 0.00 C ATOM 200 O VAL A 14 9.052 2.467 1.755 1.00 0.00 O ATOM 201 CB VAL A 14 6.083 1.893 3.354 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.678 2.155 2.841 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.576 0.543 2.850 1.00 0.00 C ATOM 0 H VAL A 14 6.975 3.141 0.854 1.00 0.00 H new ATOM 0 HA VAL A 14 7.013 3.815 3.702 1.00 0.00 H new ATOM 0 HB VAL A 14 6.059 1.867 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.022 1.339 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.308 3.092 3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.695 2.222 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.878 -0.236 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.644 0.563 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.559 0.334 3.271 1.00 0.00 H new ATOM 213 N ASP A 15 8.988 1.962 3.945 1.00 0.00 N ATOM 214 CA ASP A 15 10.313 1.357 3.954 1.00 0.00 C ATOM 215 C ASP A 15 10.161 -0.160 3.911 1.00 0.00 C ATOM 216 O ASP A 15 9.080 -0.684 4.178 1.00 0.00 O ATOM 217 CB ASP A 15 11.114 1.786 5.188 1.00 0.00 C ATOM 218 CG ASP A 15 10.279 1.822 6.450 1.00 0.00 C ATOM 219 OD1 ASP A 15 10.060 0.750 7.048 1.00 0.00 O ATOM 220 OD2 ASP A 15 9.847 2.928 6.844 1.00 0.00 O ATOM 0 H ASP A 15 8.516 1.958 4.849 1.00 0.00 H new ATOM 0 HA ASP A 15 10.866 1.697 3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.948 1.099 5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.541 2.774 5.013 1.00 0.00 H new ATOM 225 N ALA A 16 11.223 -0.868 3.559 1.00 0.00 N ATOM 226 CA ALA A 16 11.160 -2.321 3.468 1.00 0.00 C ATOM 227 C ALA A 16 11.396 -2.988 4.814 1.00 0.00 C ATOM 228 O ALA A 16 11.066 -4.161 4.996 1.00 0.00 O ATOM 229 CB ALA A 16 12.154 -2.823 2.437 1.00 0.00 C ATOM 0 H ALA A 16 12.133 -0.466 3.333 1.00 0.00 H new ATOM 0 HA ALA A 16 10.152 -2.590 3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.099 -3.910 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.917 -2.393 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.162 -2.527 2.729 1.00 0.00 H new ATOM 235 N LYS A 17 11.963 -2.248 5.756 1.00 0.00 N ATOM 236 CA LYS A 17 12.229 -2.796 7.077 1.00 0.00 C ATOM 237 C LYS A 17 10.925 -3.037 7.836 1.00 0.00 C ATOM 238 O LYS A 17 10.567 -4.178 8.132 1.00 0.00 O ATOM 239 CB LYS A 17 13.128 -1.852 7.872 1.00 0.00 C ATOM 240 CG LYS A 17 13.638 -2.449 9.174 1.00 0.00 C ATOM 241 CD LYS A 17 15.022 -1.928 9.522 1.00 0.00 C ATOM 242 CE LYS A 17 14.950 -0.571 10.205 1.00 0.00 C ATOM 243 NZ LYS A 17 15.741 -0.542 11.466 1.00 0.00 N ATOM 0 H LYS A 17 12.245 -1.276 5.632 1.00 0.00 H new ATOM 0 HA LYS A 17 12.739 -3.751 6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.980 -1.569 7.254 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.576 -0.938 8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.945 -2.210 9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.668 -3.535 9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.526 -2.640 10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.621 -1.849 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.320 0.197 9.526 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.910 -0.329 10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.666 0.400 11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.372 -1.258 12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.738 -0.748 11.255 1.00 0.00 H new ATOM 257 N THR A 18 10.237 -1.951 8.168 1.00 0.00 N ATOM 258 CA THR A 18 8.993 -2.057 8.924 1.00 0.00 C ATOM 259 C THR A 18 7.780 -1.495 8.193 1.00 0.00 C ATOM 260 O THR A 18 6.670 -1.538 8.725 1.00 0.00 O ATOM 261 CB THR A 18 9.114 -1.388 10.306 1.00 0.00 C ATOM 262 OG1 THR A 18 7.985 -1.732 11.118 1.00 0.00 O ATOM 263 CG2 THR A 18 9.204 0.126 10.174 1.00 0.00 C ATOM 0 H THR A 18 10.514 -0.999 7.930 1.00 0.00 H new ATOM 0 HA THR A 18 8.828 -3.127 9.047 1.00 0.00 H new ATOM 0 HB THR A 18 10.027 -1.750 10.778 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.167 -1.680 10.580 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.289 0.573 11.164 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.081 0.388 9.581 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.307 0.502 9.681 1.00 0.00 H new ATOM 271 N THR A 19 7.998 -0.950 7.003 1.00 0.00 N ATOM 272 CA THR A 19 6.923 -0.350 6.206 1.00 0.00 C ATOM 273 C THR A 19 6.685 1.096 6.641 1.00 0.00 C ATOM 274 O THR A 19 7.462 1.981 6.294 1.00 0.00 O ATOM 275 CB THR A 19 5.602 -1.149 6.300 1.00 0.00 C ATOM 276 OG1 THR A 19 5.862 -2.547 6.134 1.00 0.00 O ATOM 277 CG2 THR A 19 4.608 -0.686 5.247 1.00 0.00 C ATOM 0 H THR A 19 8.916 -0.909 6.561 1.00 0.00 H new ATOM 0 HA THR A 19 7.247 -0.374 5.166 1.00 0.00 H new ATOM 0 HB THR A 19 5.169 -0.973 7.285 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.802 -2.780 5.184 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.688 -1.264 5.336 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.388 0.371 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.034 -0.833 4.255 1.00 0.00 H new ATOM 285 N GLU A 20 5.623 1.334 7.411 1.00 0.00 N ATOM 286 CA GLU A 20 5.309 2.681 7.891 1.00 0.00 C ATOM 287 C GLU A 20 5.255 3.681 6.738 1.00 0.00 C ATOM 288 O GLU A 20 6.289 4.124 6.238 1.00 0.00 O ATOM 289 CB GLU A 20 6.343 3.131 8.926 1.00 0.00 C ATOM 290 CG GLU A 20 5.981 2.762 10.354 1.00 0.00 C ATOM 291 CD GLU A 20 6.601 3.697 11.374 1.00 0.00 C ATOM 292 OE1 GLU A 20 6.143 4.857 11.470 1.00 0.00 O ATOM 293 OE2 GLU A 20 7.543 3.272 12.075 1.00 0.00 O ATOM 0 H GLU A 20 4.967 0.614 7.715 1.00 0.00 H new ATOM 0 HA GLU A 20 4.325 2.648 8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.307 2.687 8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.463 4.212 8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.897 2.777 10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.308 1.742 10.556 1.00 0.00 H new ATOM 300 N ILE A 21 4.045 4.036 6.322 1.00 0.00 N ATOM 301 CA ILE A 21 3.860 4.979 5.223 1.00 0.00 C ATOM 302 C ILE A 21 4.490 6.334 5.538 1.00 0.00 C ATOM 303 O ILE A 21 3.927 7.133 6.288 1.00 0.00 O ATOM 304 CB ILE A 21 2.371 5.185 4.879 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.529 3.999 5.356 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.205 5.376 3.379 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.485 4.371 6.384 1.00 0.00 C ATOM 0 H ILE A 21 3.177 3.686 6.728 1.00 0.00 H new ATOM 0 HA ILE A 21 4.360 4.539 4.360 1.00 0.00 H new ATOM 0 HB ILE A 21 2.021 6.079 5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.035 3.546 4.496 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.190 3.242 5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.150 5.521 3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.771 6.251 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.575 4.494 2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.073 3.481 6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.973 4.796 7.261 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.199 5.105 5.958 1.00 0.00 H new ATOM 319 N LEU A 22 5.660 6.584 4.954 1.00 0.00 N ATOM 320 CA LEU A 22 6.376 7.838 5.161 1.00 0.00 C ATOM 321 C LEU A 22 5.543 9.031 4.698 1.00 0.00 C ATOM 322 O LEU A 22 5.644 10.122 5.258 1.00 0.00 O ATOM 323 CB LEU A 22 7.713 7.824 4.412 1.00 0.00 C ATOM 324 CG LEU A 22 8.377 6.451 4.283 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.618 6.540 3.409 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.728 5.899 5.656 1.00 0.00 C ATOM 0 H LEU A 22 6.133 5.930 4.331 1.00 0.00 H new ATOM 0 HA LEU A 22 6.564 7.938 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.555 8.228 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.403 8.496 4.922 1.00 0.00 H new ATOM 0 HG LEU A 22 7.671 5.769 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.077 5.555 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.339 6.893 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.328 7.236 3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.199 4.922 5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.416 6.580 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.820 5.799 6.251 1.00 0.00 H new ATOM 338 N VAL A 23 4.720 8.815 3.673 1.00 0.00 N ATOM 339 CA VAL A 23 3.870 9.876 3.140 1.00 0.00 C ATOM 340 C VAL A 23 2.975 9.357 2.015 1.00 0.00 C ATOM 341 O VAL A 23 3.308 8.379 1.344 1.00 0.00 O ATOM 342 CB VAL A 23 4.710 11.073 2.625 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.699 11.156 1.103 1.00 0.00 C ATOM 344 CG2 VAL A 23 4.210 12.372 3.237 1.00 0.00 C ATOM 0 H VAL A 23 4.625 7.918 3.197 1.00 0.00 H new ATOM 0 HA VAL A 23 3.241 10.220 3.961 1.00 0.00 H new ATOM 0 HB VAL A 23 5.742 10.912 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.298 12.007 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.116 10.240 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.674 11.280 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.809 13.203 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.167 12.526 2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.295 12.319 4.322 1.00 0.00 H new ATOM 354 N ALA A 24 1.848 10.030 1.810 1.00 0.00 N ATOM 355 CA ALA A 24 0.911 9.657 0.759 1.00 0.00 C ATOM 356 C ALA A 24 0.344 10.906 0.093 1.00 0.00 C ATOM 357 O ALA A 24 0.286 11.972 0.703 1.00 0.00 O ATOM 358 CB ALA A 24 -0.208 8.794 1.319 1.00 0.00 C ATOM 0 H ALA A 24 1.561 10.839 2.361 1.00 0.00 H new ATOM 0 HA ALA A 24 1.445 9.074 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.897 8.526 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.214 7.887 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.745 9.349 2.089 1.00 0.00 H new ATOM 364 N ASN A 25 -0.047 10.780 -1.168 1.00 0.00 N ATOM 365 CA ASN A 25 -0.580 11.915 -1.909 1.00 0.00 C ATOM 366 C ASN A 25 -2.104 11.965 -1.876 1.00 0.00 C ATOM 367 O ASN A 25 -2.757 11.127 -1.252 1.00 0.00 O ATOM 368 CB ASN A 25 -0.101 11.863 -3.361 1.00 0.00 C ATOM 369 CG ASN A 25 -0.804 10.781 -4.159 1.00 0.00 C ATOM 370 OD1 ASN A 25 -1.436 11.173 -5.260 1.00 0.00 O flip ATOM 371 ND2 ASN A 25 -0.780 9.606 -3.792 1.00 0.00 N flip ATOM 0 H ASN A 25 -0.006 9.909 -1.697 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.209 12.818 -1.424 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.273 12.830 -3.833 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.974 11.686 -3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.283 9.348 -2.940 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.257 8.891 -4.340 1.00 0.00 H new ATOM 378 N ASP A 26 -2.654 12.959 -2.570 1.00 0.00 N ATOM 379 CA ASP A 26 -4.099 13.137 -2.642 1.00 0.00 C ATOM 380 C ASP A 26 -4.749 11.895 -3.226 1.00 0.00 C ATOM 381 O ASP A 26 -5.445 11.174 -2.518 1.00 0.00 O ATOM 382 CB ASP A 26 -4.448 14.363 -3.482 1.00 0.00 C ATOM 383 CG ASP A 26 -5.686 15.077 -2.981 1.00 0.00 C ATOM 384 OD1 ASP A 26 -5.659 15.576 -1.835 1.00 0.00 O ATOM 385 OD2 ASP A 26 -6.682 15.140 -3.731 1.00 0.00 O ATOM 0 H ASP A 26 -2.118 13.654 -3.091 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.480 13.293 -1.633 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.606 15.055 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.602 14.058 -4.517 1.00 0.00 H new ATOM 390 N LYS A 27 -4.527 11.660 -4.520 1.00 0.00 N ATOM 391 CA LYS A 27 -5.101 10.505 -5.212 1.00 0.00 C ATOM 392 C LYS A 27 -5.228 9.307 -4.275 1.00 0.00 C ATOM 393 O LYS A 27 -6.339 8.890 -3.947 1.00 0.00 O ATOM 394 CB LYS A 27 -4.238 10.147 -6.422 1.00 0.00 C ATOM 395 CG LYS A 27 -4.472 11.053 -7.618 1.00 0.00 C ATOM 396 CD LYS A 27 -3.222 11.181 -8.477 1.00 0.00 C ATOM 397 CE LYS A 27 -2.339 12.325 -8.009 1.00 0.00 C ATOM 398 NZ LYS A 27 -0.904 11.932 -7.957 1.00 0.00 N ATOM 0 H LYS A 27 -3.951 12.258 -5.113 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.103 10.769 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.187 10.198 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.441 9.116 -6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.289 10.657 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.780 12.040 -7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.659 10.248 -8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.508 11.343 -9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.459 13.175 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.662 12.652 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.309 12.762 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.679 11.564 -7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.720 11.196 -8.668 1.00 0.00 H new ATOM 412 N ALA A 28 -4.092 8.769 -3.832 1.00 0.00 N ATOM 413 CA ALA A 28 -4.090 7.634 -2.908 1.00 0.00 C ATOM 414 C ALA A 28 -5.085 7.848 -1.769 1.00 0.00 C ATOM 415 O ALA A 28 -5.966 7.020 -1.527 1.00 0.00 O ATOM 416 CB ALA A 28 -2.693 7.424 -2.343 1.00 0.00 C ATOM 0 H ALA A 28 -3.164 9.099 -4.097 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.393 6.746 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.702 6.577 -1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.997 7.223 -3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.378 8.321 -1.809 1.00 0.00 H new ATOM 422 N CYS A 29 -4.931 8.971 -1.079 1.00 0.00 N ATOM 423 CA CYS A 29 -5.807 9.319 0.033 1.00 0.00 C ATOM 424 C CYS A 29 -7.269 9.294 -0.402 1.00 0.00 C ATOM 425 O CYS A 29 -8.143 8.865 0.348 1.00 0.00 O ATOM 426 CB CYS A 29 -5.430 10.701 0.571 1.00 0.00 C ATOM 427 SG CYS A 29 -6.648 11.994 0.230 1.00 0.00 S ATOM 0 H CYS A 29 -4.204 9.660 -1.271 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.681 8.581 0.826 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.285 10.631 1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.474 10.997 0.140 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.199 12.376 1.344 1.00 0.00 H new ATOM 433 N GLY A 30 -7.522 9.749 -1.627 1.00 0.00 N ATOM 434 CA GLY A 30 -8.873 9.759 -2.154 1.00 0.00 C ATOM 435 C GLY A 30 -9.431 8.360 -2.263 1.00 0.00 C ATOM 436 O GLY A 30 -10.608 8.124 -1.991 1.00 0.00 O ATOM 0 H GLY A 30 -6.812 10.111 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.513 10.359 -1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.879 10.232 -3.136 1.00 0.00 H new ATOM 440 N LEU A 31 -8.565 7.429 -2.653 1.00 0.00 N ATOM 441 CA LEU A 31 -8.944 6.030 -2.793 1.00 0.00 C ATOM 442 C LEU A 31 -9.654 5.561 -1.523 1.00 0.00 C ATOM 443 O LEU A 31 -10.783 5.072 -1.579 1.00 0.00 O ATOM 444 CB LEU A 31 -7.691 5.189 -3.083 1.00 0.00 C ATOM 445 CG LEU A 31 -7.875 3.666 -3.166 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.528 3.030 -1.834 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.289 3.291 -3.599 1.00 0.00 C ATOM 0 H LEU A 31 -7.589 7.622 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.635 5.909 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.265 5.530 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.955 5.399 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.196 3.283 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.661 1.950 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.491 3.253 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.182 3.429 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.379 2.206 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.006 3.684 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.493 3.715 -4.582 1.00 0.00 H new ATOM 459 N LEU A 32 -9.000 5.733 -0.375 1.00 0.00 N ATOM 460 CA LEU A 32 -9.607 5.342 0.898 1.00 0.00 C ATOM 461 C LEU A 32 -10.308 6.528 1.555 1.00 0.00 C ATOM 462 O LEU A 32 -11.534 6.622 1.542 1.00 0.00 O ATOM 463 CB LEU A 32 -8.584 4.751 1.876 1.00 0.00 C ATOM 464 CG LEU A 32 -7.122 4.764 1.434 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.574 6.183 1.421 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.302 3.884 2.364 1.00 0.00 C ATOM 0 H LEU A 32 -8.065 6.134 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.338 4.568 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.659 5.296 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.868 3.719 2.082 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.057 4.371 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.531 6.168 1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.156 6.791 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.642 6.608 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.259 3.894 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.376 4.263 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.682 2.863 2.328 1.00 0.00 H new ATOM 478 N GLY A 33 -9.515 7.425 2.131 1.00 0.00 N ATOM 479 CA GLY A 33 -10.064 8.592 2.796 1.00 0.00 C ATOM 480 C GLY A 33 -9.102 9.168 3.814 1.00 0.00 C ATOM 481 O GLY A 33 -9.514 9.777 4.802 1.00 0.00 O ATOM 0 H GLY A 33 -8.497 7.364 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.305 9.353 2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.997 8.322 3.291 1.00 0.00 H new ATOM 485 N TYR A 34 -7.812 8.964 3.569 1.00 0.00 N ATOM 486 CA TYR A 34 -6.766 9.453 4.462 1.00 0.00 C ATOM 487 C TYR A 34 -6.025 10.630 3.831 1.00 0.00 C ATOM 488 O TYR A 34 -6.624 11.442 3.127 1.00 0.00 O ATOM 489 CB TYR A 34 -5.772 8.328 4.769 1.00 0.00 C ATOM 490 CG TYR A 34 -6.321 7.232 5.652 1.00 0.00 C ATOM 491 CD1 TYR A 34 -7.400 6.457 5.244 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.757 6.971 6.893 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.900 5.454 6.048 1.00 0.00 C ATOM 494 CE2 TYR A 34 -6.252 5.968 7.703 1.00 0.00 C ATOM 495 CZ TYR A 34 -7.324 5.213 7.277 1.00 0.00 C ATOM 496 OH TYR A 34 -7.822 4.214 8.081 1.00 0.00 O ATOM 0 H TYR A 34 -7.463 8.460 2.754 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.234 9.788 5.387 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.439 7.888 3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.893 8.758 5.249 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.854 6.643 4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.918 7.561 7.230 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.739 4.860 5.716 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.801 5.776 8.666 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.154 3.502 8.170 1.00 0.00 H new ATOM 506 N SER A 35 -4.716 10.697 4.085 1.00 0.00 N ATOM 507 CA SER A 35 -3.856 11.747 3.545 1.00 0.00 C ATOM 508 C SER A 35 -2.476 11.677 4.183 1.00 0.00 C ATOM 509 O SER A 35 -2.293 11.026 5.211 1.00 0.00 O ATOM 510 CB SER A 35 -4.453 13.132 3.761 1.00 0.00 C ATOM 511 OG SER A 35 -4.678 13.389 5.135 1.00 0.00 O ATOM 0 H SER A 35 -4.224 10.023 4.672 1.00 0.00 H new ATOM 0 HA SER A 35 -3.771 11.581 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.781 13.887 3.353 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.393 13.214 3.215 1.00 0.00 H new ATOM 0 HG SER A 35 -5.060 14.285 5.242 1.00 0.00 H new ATOM 517 N SER A 36 -1.510 12.343 3.566 1.00 0.00 N ATOM 518 CA SER A 36 -0.138 12.351 4.069 1.00 0.00 C ATOM 519 C SER A 36 -0.076 12.723 5.550 1.00 0.00 C ATOM 520 O SER A 36 0.831 12.298 6.263 1.00 0.00 O ATOM 521 CB SER A 36 0.712 13.330 3.260 1.00 0.00 C ATOM 522 OG SER A 36 -0.096 14.309 2.629 1.00 0.00 O ATOM 0 H SER A 36 -1.649 12.887 2.714 1.00 0.00 H new ATOM 0 HA SER A 36 0.255 11.340 3.959 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.433 13.817 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.282 12.785 2.508 1.00 0.00 H new ATOM 0 HG SER A 36 -0.350 13.997 1.735 1.00 0.00 H new ATOM 528 N GLN A 37 -1.024 13.534 6.005 1.00 0.00 N ATOM 529 CA GLN A 37 -1.048 13.973 7.399 1.00 0.00 C ATOM 530 C GLN A 37 -2.038 13.175 8.251 1.00 0.00 C ATOM 531 O GLN A 37 -2.078 13.337 9.470 1.00 0.00 O ATOM 532 CB GLN A 37 -1.387 15.462 7.476 1.00 0.00 C ATOM 533 CG GLN A 37 -2.606 15.853 6.655 1.00 0.00 C ATOM 534 CD GLN A 37 -3.380 17.001 7.272 1.00 0.00 C ATOM 535 OE1 GLN A 37 -3.509 18.070 6.674 1.00 0.00 O ATOM 536 NE2 GLN A 37 -3.898 16.785 8.474 1.00 0.00 N ATOM 0 H GLN A 37 -1.785 13.901 5.433 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.052 13.795 7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.559 15.733 8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.528 16.040 7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.289 16.132 5.650 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.263 14.989 6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.766 15.883 8.932 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.429 17.521 8.940 1.00 0.00 H new ATOM 545 N ASP A 38 -2.848 12.334 7.613 1.00 0.00 N ATOM 546 CA ASP A 38 -3.845 11.550 8.340 1.00 0.00 C ATOM 547 C ASP A 38 -3.543 10.054 8.313 1.00 0.00 C ATOM 548 O ASP A 38 -4.257 9.266 8.934 1.00 0.00 O ATOM 549 CB ASP A 38 -5.234 11.798 7.758 1.00 0.00 C ATOM 550 CG ASP A 38 -5.759 13.181 8.084 1.00 0.00 C ATOM 551 OD1 ASP A 38 -5.092 14.173 7.720 1.00 0.00 O ATOM 552 OD2 ASP A 38 -6.840 13.276 8.704 1.00 0.00 O ATOM 0 H ASP A 38 -2.835 12.178 6.605 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.810 11.876 9.379 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.199 11.671 6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.926 11.049 8.144 1.00 0.00 H new ATOM 557 N LEU A 39 -2.504 9.657 7.591 1.00 0.00 N ATOM 558 CA LEU A 39 -2.155 8.240 7.498 1.00 0.00 C ATOM 559 C LEU A 39 -0.676 7.996 7.796 1.00 0.00 C ATOM 560 O LEU A 39 -0.266 6.858 8.031 1.00 0.00 O ATOM 561 CB LEU A 39 -2.520 7.701 6.111 1.00 0.00 C ATOM 562 CG LEU A 39 -1.639 8.189 4.960 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.490 7.225 4.713 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.472 8.356 3.698 1.00 0.00 C ATOM 0 H LEU A 39 -1.894 10.284 7.067 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.729 7.705 8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.477 6.612 6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.553 7.974 5.895 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.217 9.156 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.123 7.593 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.120 7.147 5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.888 6.243 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.835 8.704 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.917 7.399 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.262 9.085 3.877 1.00 0.00 H new ATOM 576 N ILE A 40 0.123 9.058 7.789 1.00 0.00 N ATOM 577 CA ILE A 40 1.549 8.936 8.062 1.00 0.00 C ATOM 578 C ILE A 40 1.795 8.440 9.486 1.00 0.00 C ATOM 579 O ILE A 40 1.094 8.831 10.421 1.00 0.00 O ATOM 580 CB ILE A 40 2.279 10.283 7.838 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.766 10.048 7.540 1.00 0.00 C ATOM 582 CG2 ILE A 40 2.096 11.215 9.031 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.618 9.799 8.768 1.00 0.00 C ATOM 0 H ILE A 40 -0.192 10.009 7.598 1.00 0.00 H new ATOM 0 HA ILE A 40 1.952 8.203 7.363 1.00 0.00 H new ATOM 0 HB ILE A 40 1.833 10.770 6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.859 9.194 6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.159 10.915 7.009 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.620 12.152 8.844 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.035 11.415 9.177 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.503 10.744 9.926 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.654 9.643 8.467 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.559 10.661 9.432 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.255 8.914 9.290 1.00 0.00 H new ATOM 595 N GLY A 41 2.791 7.575 9.641 1.00 0.00 N ATOM 596 CA GLY A 41 3.113 7.039 10.951 1.00 0.00 C ATOM 597 C GLY A 41 2.681 5.595 11.109 1.00 0.00 C ATOM 598 O GLY A 41 3.340 4.816 11.797 1.00 0.00 O ATOM 0 H GLY A 41 3.382 7.235 8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.188 7.114 11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.630 7.645 11.717 1.00 0.00 H new ATOM 602 N GLN A 42 1.571 5.239 10.468 1.00 0.00 N ATOM 603 CA GLN A 42 1.055 3.877 10.542 1.00 0.00 C ATOM 604 C GLN A 42 1.494 3.065 9.329 1.00 0.00 C ATOM 605 O GLN A 42 2.408 3.459 8.605 1.00 0.00 O ATOM 606 CB GLN A 42 -0.473 3.892 10.637 1.00 0.00 C ATOM 607 CG GLN A 42 -1.007 4.762 11.764 1.00 0.00 C ATOM 608 CD GLN A 42 -2.505 4.972 11.676 1.00 0.00 C ATOM 609 OE1 GLN A 42 -3.245 4.643 12.602 1.00 0.00 O ATOM 610 NE2 GLN A 42 -2.961 5.522 10.556 1.00 0.00 N ATOM 0 H GLN A 42 1.014 5.872 9.894 1.00 0.00 H new ATOM 0 HA GLN A 42 1.462 3.408 11.438 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.884 4.246 9.691 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.829 2.872 10.778 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.764 4.301 12.721 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.506 5.730 11.740 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.311 5.780 9.813 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.961 5.687 10.439 1.00 0.00 H new ATOM 619 N LYS A 43 0.838 1.929 9.114 1.00 0.00 N ATOM 620 CA LYS A 43 1.157 1.059 7.988 1.00 0.00 C ATOM 621 C LYS A 43 -0.026 0.966 7.031 1.00 0.00 C ATOM 622 O LYS A 43 -1.154 0.725 7.452 1.00 0.00 O ATOM 623 CB LYS A 43 1.538 -0.333 8.487 1.00 0.00 C ATOM 624 CG LYS A 43 2.594 -0.320 9.583 1.00 0.00 C ATOM 625 CD LYS A 43 1.962 -0.316 10.968 1.00 0.00 C ATOM 626 CE LYS A 43 2.166 -1.644 11.677 1.00 0.00 C ATOM 627 NZ LYS A 43 1.387 -1.722 12.945 1.00 0.00 N ATOM 0 H LYS A 43 0.080 1.589 9.706 1.00 0.00 H new ATOM 0 HA LYS A 43 2.004 1.487 7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.644 -0.833 8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.905 -0.923 7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.239 -1.193 9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.228 0.560 9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.396 0.487 11.565 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.895 -0.108 10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.867 -2.458 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.226 -1.781 11.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.553 -2.643 13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.690 -0.961 13.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.374 -1.616 12.737 1.00 0.00 H new ATOM 641 N LEU A 44 0.236 1.193 5.746 1.00 0.00 N ATOM 642 CA LEU A 44 -0.807 1.166 4.721 1.00 0.00 C ATOM 643 C LEU A 44 -1.731 -0.046 4.856 1.00 0.00 C ATOM 644 O LEU A 44 -2.943 0.074 4.689 1.00 0.00 O ATOM 645 CB LEU A 44 -0.189 1.184 3.314 1.00 0.00 C ATOM 646 CG LEU A 44 1.229 0.608 3.189 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.236 -0.897 3.428 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.799 0.924 1.816 1.00 0.00 C ATOM 0 H LEU A 44 1.168 1.399 5.387 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.409 2.063 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.845 0.628 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.173 2.215 2.960 1.00 0.00 H new ATOM 0 HG LEU A 44 1.853 1.072 3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.254 -1.276 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.863 -1.108 4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.597 -1.385 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.805 0.512 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.164 0.483 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.838 2.005 1.678 1.00 0.00 H new ATOM 660 N THR A 45 -1.156 -1.210 5.133 1.00 0.00 N ATOM 661 CA THR A 45 -1.927 -2.445 5.256 1.00 0.00 C ATOM 662 C THR A 45 -3.002 -2.370 6.331 1.00 0.00 C ATOM 663 O THR A 45 -3.893 -3.218 6.382 1.00 0.00 O ATOM 664 CB THR A 45 -1.010 -3.643 5.529 1.00 0.00 C ATOM 665 OG1 THR A 45 -0.246 -3.423 6.719 1.00 0.00 O ATOM 666 CG2 THR A 45 -0.086 -3.856 4.353 1.00 0.00 C ATOM 0 H THR A 45 -0.153 -1.326 5.278 1.00 0.00 H new ATOM 0 HA THR A 45 -2.429 -2.580 4.298 1.00 0.00 H new ATOM 0 HB THR A 45 -1.623 -4.533 5.669 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.511 -2.571 7.125 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.564 -4.708 4.551 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.676 -4.050 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.521 -2.964 4.201 1.00 0.00 H new ATOM 674 N GLN A 46 -2.934 -1.351 7.174 1.00 0.00 N ATOM 675 CA GLN A 46 -3.928 -1.179 8.221 1.00 0.00 C ATOM 676 C GLN A 46 -5.271 -0.855 7.588 1.00 0.00 C ATOM 677 O GLN A 46 -6.328 -1.046 8.189 1.00 0.00 O ATOM 678 CB GLN A 46 -3.516 -0.066 9.185 1.00 0.00 C ATOM 679 CG GLN A 46 -2.877 -0.573 10.467 1.00 0.00 C ATOM 680 CD GLN A 46 -2.354 0.550 11.342 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.054 0.804 11.262 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -3.111 1.180 12.078 1.00 0.00 N flip ATOM 0 H GLN A 46 -2.207 -0.636 7.154 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.006 -2.105 8.791 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.816 0.600 8.680 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.395 0.527 9.438 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.609 -1.155 11.028 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -2.057 -1.247 10.218 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.104 0.949 12.106 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.746 1.934 12.660 1.00 0.00 H new ATOM 691 N PHE A 47 -5.214 -0.332 6.369 1.00 0.00 N ATOM 692 CA PHE A 47 -6.417 0.050 5.646 1.00 0.00 C ATOM 693 C PHE A 47 -6.612 -0.814 4.403 1.00 0.00 C ATOM 694 O PHE A 47 -7.067 -0.328 3.367 1.00 0.00 O ATOM 695 CB PHE A 47 -6.353 1.531 5.252 1.00 0.00 C ATOM 696 CG PHE A 47 -5.252 2.298 5.937 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.263 2.478 7.312 1.00 0.00 C ATOM 698 CD2 PHE A 47 -4.209 2.840 5.202 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.253 3.183 7.940 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.199 3.546 5.826 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.220 3.719 7.196 1.00 0.00 C ATOM 0 H PHE A 47 -4.345 -0.163 5.861 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.270 -0.107 6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.216 1.604 4.173 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.309 2.000 5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.069 2.063 7.899 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.186 2.709 4.130 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.272 3.315 9.012 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.392 3.963 5.242 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.431 4.272 7.684 1.00 0.00 H new ATOM 711 N PHE A 48 -6.275 -2.097 4.515 1.00 0.00 N ATOM 712 CA PHE A 48 -6.423 -3.032 3.401 1.00 0.00 C ATOM 713 C PHE A 48 -6.899 -4.391 3.895 1.00 0.00 C ATOM 714 O PHE A 48 -6.575 -4.799 5.009 1.00 0.00 O ATOM 715 CB PHE A 48 -5.104 -3.185 2.639 1.00 0.00 C ATOM 716 CG PHE A 48 -4.627 -1.911 2.001 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.448 -1.204 1.136 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.363 -1.419 2.265 1.00 0.00 C ATOM 719 CE1 PHE A 48 -5.014 -0.033 0.550 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.923 -0.248 1.682 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.750 0.448 0.825 1.00 0.00 C ATOM 0 H PHE A 48 -5.897 -2.513 5.366 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.172 -2.625 2.722 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.338 -3.547 3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.226 -3.945 1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.439 -1.574 0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.711 -1.958 2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.663 0.507 -0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.932 0.123 1.897 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.409 1.367 0.371 1.00 0.00 H new ATOM 731 N LEU A 49 -7.668 -5.074 3.040 1.00 0.00 N ATOM 732 CA LEU A 49 -8.225 -6.405 3.321 1.00 0.00 C ATOM 733 C LEU A 49 -8.290 -6.721 4.817 1.00 0.00 C ATOM 734 O LEU A 49 -9.330 -6.544 5.452 1.00 0.00 O ATOM 735 CB LEU A 49 -7.447 -7.517 2.583 1.00 0.00 C ATOM 736 CG LEU A 49 -6.076 -7.151 1.981 1.00 0.00 C ATOM 737 CD1 LEU A 49 -6.202 -6.052 0.934 1.00 0.00 C ATOM 738 CD2 LEU A 49 -5.085 -6.752 3.065 1.00 0.00 C ATOM 0 H LEU A 49 -7.925 -4.714 2.121 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.248 -6.380 2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.298 -8.342 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.079 -7.891 1.777 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.692 -8.043 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.217 -5.819 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.853 -6.390 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.626 -5.159 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.128 -6.500 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.467 -5.887 3.607 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.949 -7.583 3.757 1.00 0.00 H new ATOM 750 N ARG A 50 -7.180 -7.195 5.370 1.00 0.00 N ATOM 751 CA ARG A 50 -7.109 -7.540 6.787 1.00 0.00 C ATOM 752 C ARG A 50 -6.071 -6.679 7.502 1.00 0.00 C ATOM 753 O ARG A 50 -4.872 -6.805 7.261 1.00 0.00 O ATOM 754 CB ARG A 50 -6.772 -9.024 6.955 1.00 0.00 C ATOM 755 CG ARG A 50 -6.564 -9.444 8.401 1.00 0.00 C ATOM 756 CD ARG A 50 -7.887 -9.599 9.133 1.00 0.00 C ATOM 757 NE ARG A 50 -8.325 -10.991 9.181 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.602 -11.365 9.191 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.565 -10.453 9.148 1.00 0.00 N ATOM 760 NH2 ARG A 50 -9.918 -12.652 9.241 1.00 0.00 N ATOM 0 H ARG A 50 -6.312 -7.350 4.857 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.083 -7.347 7.236 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -7.576 -9.621 6.525 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.869 -9.249 6.387 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.018 -10.387 8.432 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.950 -8.702 8.911 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.787 -9.215 10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.648 -8.996 8.638 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.611 -11.719 9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.327 -9.462 9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.543 -10.743 9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.182 -13.357 9.272 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.897 -12.937 9.249 1.00 0.00 H new ATOM 774 N SER A 51 -6.541 -5.795 8.373 1.00 0.00 N ATOM 775 CA SER A 51 -5.661 -4.902 9.115 1.00 0.00 C ATOM 776 C SER A 51 -5.175 -5.525 10.421 1.00 0.00 C ATOM 777 O SER A 51 -4.387 -4.918 11.145 1.00 0.00 O ATOM 778 CB SER A 51 -6.389 -3.595 9.417 1.00 0.00 C ATOM 779 OG SER A 51 -7.621 -3.838 10.075 1.00 0.00 O ATOM 0 H SER A 51 -7.532 -5.677 8.583 1.00 0.00 H new ATOM 0 HA SER A 51 -4.787 -4.713 8.491 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.759 -2.960 10.040 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.569 -3.053 8.489 1.00 0.00 H new ATOM 0 HG SER A 51 -8.067 -2.985 10.259 1.00 0.00 H new ATOM 785 N ASP A 52 -5.669 -6.716 10.742 1.00 0.00 N ATOM 786 CA ASP A 52 -5.291 -7.376 11.989 1.00 0.00 C ATOM 787 C ASP A 52 -4.052 -8.263 11.848 1.00 0.00 C ATOM 788 O ASP A 52 -2.989 -7.940 12.377 1.00 0.00 O ATOM 789 CB ASP A 52 -6.461 -8.209 12.513 1.00 0.00 C ATOM 790 CG ASP A 52 -7.299 -7.457 13.527 1.00 0.00 C ATOM 791 OD1 ASP A 52 -6.829 -7.283 14.672 1.00 0.00 O ATOM 792 OD2 ASP A 52 -8.424 -7.042 13.179 1.00 0.00 O ATOM 0 H ASP A 52 -6.325 -7.241 10.164 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.039 -6.586 12.697 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.092 -8.510 11.677 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.078 -9.122 12.968 1.00 0.00 H new ATOM 797 N SER A 53 -4.200 -9.396 11.164 1.00 0.00 N ATOM 798 CA SER A 53 -3.093 -10.340 11.000 1.00 0.00 C ATOM 799 C SER A 53 -2.302 -10.113 9.713 1.00 0.00 C ATOM 800 O SER A 53 -1.086 -10.297 9.689 1.00 0.00 O ATOM 801 CB SER A 53 -3.623 -11.774 11.030 1.00 0.00 C ATOM 802 OG SER A 53 -4.640 -11.964 10.063 1.00 0.00 O ATOM 0 H SER A 53 -5.070 -9.683 10.716 1.00 0.00 H new ATOM 0 HA SER A 53 -2.409 -10.171 11.832 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.806 -12.471 10.844 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.014 -11.999 12.022 1.00 0.00 H new ATOM 0 HG SER A 53 -4.960 -12.889 10.102 1.00 0.00 H new ATOM 808 N ASP A 54 -2.995 -9.745 8.643 1.00 0.00 N ATOM 809 CA ASP A 54 -2.347 -9.530 7.349 1.00 0.00 C ATOM 810 C ASP A 54 -1.225 -8.495 7.427 1.00 0.00 C ATOM 811 O ASP A 54 -0.243 -8.588 6.690 1.00 0.00 O ATOM 812 CB ASP A 54 -3.377 -9.101 6.304 1.00 0.00 C ATOM 813 CG ASP A 54 -3.791 -10.240 5.393 1.00 0.00 C ATOM 814 OD1 ASP A 54 -3.396 -11.395 5.666 1.00 0.00 O ATOM 815 OD2 ASP A 54 -4.511 -9.979 4.408 1.00 0.00 O ATOM 0 H ASP A 54 -4.003 -9.589 8.642 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.899 -10.479 7.054 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.258 -8.705 6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.964 -8.291 5.703 1.00 0.00 H new ATOM 820 N VAL A 55 -1.370 -7.509 8.304 1.00 0.00 N ATOM 821 CA VAL A 55 -0.355 -6.465 8.443 1.00 0.00 C ATOM 822 C VAL A 55 0.853 -6.956 9.238 1.00 0.00 C ATOM 823 O VAL A 55 1.895 -6.305 9.266 1.00 0.00 O ATOM 824 CB VAL A 55 -0.926 -5.193 9.108 1.00 0.00 C ATOM 825 CG1 VAL A 55 -2.308 -4.878 8.560 1.00 0.00 C ATOM 826 CG2 VAL A 55 -0.967 -5.338 10.620 1.00 0.00 C ATOM 0 H VAL A 55 -2.172 -7.408 8.926 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.033 -6.215 7.432 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.263 -4.361 8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.694 -3.979 9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.244 -4.716 7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.979 -5.713 8.762 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.373 -4.428 11.062 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.599 -6.185 10.887 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.042 -5.505 10.997 1.00 0.00 H new ATOM 836 N VAL A 56 0.709 -8.104 9.887 1.00 0.00 N ATOM 837 CA VAL A 56 1.792 -8.670 10.682 1.00 0.00 C ATOM 838 C VAL A 56 2.598 -9.687 9.878 1.00 0.00 C ATOM 839 O VAL A 56 3.794 -9.872 10.110 1.00 0.00 O ATOM 840 CB VAL A 56 1.253 -9.347 11.958 1.00 0.00 C ATOM 841 CG1 VAL A 56 2.395 -9.877 12.811 1.00 0.00 C ATOM 842 CG2 VAL A 56 0.391 -8.380 12.752 1.00 0.00 C ATOM 0 H VAL A 56 -0.145 -8.661 9.879 1.00 0.00 H new ATOM 0 HA VAL A 56 2.443 -7.843 10.964 1.00 0.00 H new ATOM 0 HB VAL A 56 0.633 -10.193 11.660 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.991 -10.350 13.706 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.967 -10.609 12.240 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.047 -9.052 13.099 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.020 -8.876 13.649 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.986 -7.512 13.037 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.452 -8.057 12.141 1.00 0.00 H new ATOM 852 N GLU A 57 1.937 -10.344 8.931 1.00 0.00 N ATOM 853 CA GLU A 57 2.590 -11.342 8.088 1.00 0.00 C ATOM 854 C GLU A 57 3.156 -10.725 6.810 1.00 0.00 C ATOM 855 O GLU A 57 4.241 -11.095 6.359 1.00 0.00 O ATOM 856 CB GLU A 57 1.606 -12.460 7.733 1.00 0.00 C ATOM 857 CG GLU A 57 0.264 -11.953 7.233 1.00 0.00 C ATOM 858 CD GLU A 57 -0.891 -12.836 7.665 1.00 0.00 C ATOM 859 OE1 GLU A 57 -1.136 -12.940 8.885 1.00 0.00 O ATOM 860 OE2 GLU A 57 -1.551 -13.424 6.783 1.00 0.00 O ATOM 0 H GLU A 57 0.948 -10.204 8.727 1.00 0.00 H new ATOM 0 HA GLU A 57 3.423 -11.755 8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.052 -13.096 6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.445 -13.083 8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.101 -10.941 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.284 -11.894 6.145 1.00 0.00 H new ATOM 867 N ALA A 58 2.404 -9.800 6.218 1.00 0.00 N ATOM 868 CA ALA A 58 2.814 -9.151 4.976 1.00 0.00 C ATOM 869 C ALA A 58 3.954 -8.160 5.191 1.00 0.00 C ATOM 870 O ALA A 58 4.982 -8.235 4.518 1.00 0.00 O ATOM 871 CB ALA A 58 1.626 -8.448 4.335 1.00 0.00 C ATOM 0 H ALA A 58 1.505 -9.483 6.580 1.00 0.00 H new ATOM 0 HA ALA A 58 3.181 -9.931 4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.944 -7.968 3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.846 -9.178 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.236 -7.695 5.020 1.00 0.00 H new ATOM 877 N LEU A 59 3.767 -7.224 6.117 1.00 0.00 N ATOM 878 CA LEU A 59 4.783 -6.213 6.397 1.00 0.00 C ATOM 879 C LEU A 59 6.089 -6.842 6.871 1.00 0.00 C ATOM 880 O LEU A 59 7.081 -6.141 7.079 1.00 0.00 O ATOM 881 CB LEU A 59 4.275 -5.215 7.440 1.00 0.00 C ATOM 882 CG LEU A 59 2.916 -4.583 7.130 1.00 0.00 C ATOM 883 CD1 LEU A 59 2.548 -3.562 8.192 1.00 0.00 C ATOM 884 CD2 LEU A 59 2.921 -3.937 5.751 1.00 0.00 C ATOM 0 H LEU A 59 2.924 -7.144 6.685 1.00 0.00 H new ATOM 0 HA LEU A 59 4.983 -5.686 5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.211 -5.722 8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.012 -4.419 7.547 1.00 0.00 H new ATOM 0 HG LEU A 59 2.166 -5.374 7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.579 -3.123 7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.496 -4.051 9.165 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.304 -2.778 8.220 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.945 -3.495 5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.685 -3.161 5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.137 -4.693 4.996 1.00 0.00 H new ATOM 896 N SER A 60 6.094 -8.165 7.030 1.00 0.00 N ATOM 897 CA SER A 60 7.291 -8.874 7.466 1.00 0.00 C ATOM 898 C SER A 60 8.464 -8.566 6.539 1.00 0.00 C ATOM 899 O SER A 60 8.288 -7.940 5.495 1.00 0.00 O ATOM 900 CB SER A 60 7.036 -10.382 7.498 1.00 0.00 C ATOM 901 OG SER A 60 7.984 -11.043 8.322 1.00 0.00 O ATOM 0 H SER A 60 5.285 -8.763 6.864 1.00 0.00 H new ATOM 0 HA SER A 60 7.540 -8.536 8.472 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.029 -10.576 7.869 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.086 -10.784 6.486 1.00 0.00 H new ATOM 0 HG SER A 60 7.798 -12.005 8.327 1.00 0.00 H new ATOM 907 N GLU A 61 9.656 -9.010 6.932 1.00 0.00 N ATOM 908 CA GLU A 61 10.858 -8.785 6.133 1.00 0.00 C ATOM 909 C GLU A 61 10.567 -9.040 4.659 1.00 0.00 C ATOM 910 O GLU A 61 10.906 -8.231 3.796 1.00 0.00 O ATOM 911 CB GLU A 61 11.995 -9.693 6.611 1.00 0.00 C ATOM 912 CG GLU A 61 13.229 -9.645 5.725 1.00 0.00 C ATOM 913 CD GLU A 61 14.434 -10.302 6.368 1.00 0.00 C ATOM 914 OE1 GLU A 61 15.071 -9.660 7.230 1.00 0.00 O ATOM 915 OE2 GLU A 61 14.742 -11.458 6.010 1.00 0.00 O ATOM 0 H GLU A 61 9.815 -9.527 7.797 1.00 0.00 H new ATOM 0 HA GLU A 61 11.166 -7.747 6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.275 -9.407 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.632 -10.720 6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.012 -10.140 4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.466 -8.606 5.494 1.00 0.00 H new ATOM 922 N GLU A 62 9.929 -10.171 4.389 1.00 0.00 N ATOM 923 CA GLU A 62 9.575 -10.547 3.025 1.00 0.00 C ATOM 924 C GLU A 62 8.062 -10.669 2.880 1.00 0.00 C ATOM 925 O GLU A 62 7.311 -10.302 3.783 1.00 0.00 O ATOM 926 CB GLU A 62 10.246 -11.869 2.651 1.00 0.00 C ATOM 927 CG GLU A 62 10.135 -12.935 3.730 1.00 0.00 C ATOM 928 CD GLU A 62 11.455 -13.633 3.996 1.00 0.00 C ATOM 929 OE1 GLU A 62 12.290 -13.063 4.730 1.00 0.00 O ATOM 930 OE2 GLU A 62 11.653 -14.747 3.469 1.00 0.00 O ATOM 0 H GLU A 62 9.645 -10.847 5.098 1.00 0.00 H new ATOM 0 HA GLU A 62 9.928 -9.768 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.798 -12.247 1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.300 -11.685 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.777 -12.478 4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.391 -13.674 3.431 1.00 0.00 H new ATOM 937 N HIS A 63 7.621 -11.195 1.743 1.00 0.00 N ATOM 938 CA HIS A 63 6.198 -11.377 1.485 1.00 0.00 C ATOM 939 C HIS A 63 5.830 -12.856 1.535 1.00 0.00 C ATOM 940 O HIS A 63 6.675 -13.720 1.298 1.00 0.00 O ATOM 941 CB HIS A 63 5.819 -10.786 0.123 1.00 0.00 C ATOM 942 CG HIS A 63 6.798 -11.104 -0.967 1.00 0.00 C ATOM 943 ND1 HIS A 63 7.289 -10.154 -1.838 1.00 0.00 N ATOM 944 CD2 HIS A 63 7.375 -12.274 -1.328 1.00 0.00 C ATOM 945 CE1 HIS A 63 8.123 -10.726 -2.687 1.00 0.00 C ATOM 946 NE2 HIS A 63 8.193 -12.012 -2.399 1.00 0.00 N ATOM 0 H HIS A 63 8.229 -11.503 0.985 1.00 0.00 H new ATOM 0 HA HIS A 63 5.641 -10.852 2.261 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.836 -11.159 -0.164 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.734 -9.703 0.218 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.221 -13.235 -0.860 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.657 -10.226 -3.482 1.00 0.00 H new ATOM 0 HE2 HIS A 63 8.762 -12.700 -2.892 1.00 0.00 H new ATOM 955 N MET A 64 4.570 -13.141 1.848 1.00 0.00 N ATOM 956 CA MET A 64 4.092 -14.518 1.935 1.00 0.00 C ATOM 957 C MET A 64 4.885 -15.303 2.972 1.00 0.00 C ATOM 958 O MET A 64 4.990 -16.528 2.890 1.00 0.00 O ATOM 959 CB MET A 64 4.189 -15.207 0.569 1.00 0.00 C ATOM 960 CG MET A 64 3.512 -14.435 -0.554 1.00 0.00 C ATOM 961 SD MET A 64 1.754 -14.164 -0.250 1.00 0.00 S ATOM 962 CE MET A 64 1.162 -13.889 -1.917 1.00 0.00 C ATOM 0 H MET A 64 3.860 -12.436 2.046 1.00 0.00 H new ATOM 0 HA MET A 64 3.047 -14.493 2.244 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.240 -15.350 0.318 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.740 -16.198 0.639 1.00 0.00 H new ATOM 0 HG2 MET A 64 4.008 -13.472 -0.678 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.635 -14.980 -1.490 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.088 -13.706 -1.896 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.669 -13.024 -2.345 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.369 -14.769 -2.526 1.00 0.00 H new ATOM 972 N GLU A 65 5.447 -14.588 3.946 1.00 0.00 N ATOM 973 CA GLU A 65 6.238 -15.208 5.005 1.00 0.00 C ATOM 974 C GLU A 65 7.465 -15.910 4.433 1.00 0.00 C ATOM 975 O GLU A 65 8.219 -16.554 5.163 1.00 0.00 O ATOM 976 CB GLU A 65 5.389 -16.200 5.804 1.00 0.00 C ATOM 977 CG GLU A 65 4.101 -15.604 6.344 1.00 0.00 C ATOM 978 CD GLU A 65 3.970 -15.764 7.846 1.00 0.00 C ATOM 979 OE1 GLU A 65 4.131 -16.901 8.338 1.00 0.00 O ATOM 980 OE2 GLU A 65 3.704 -14.753 8.530 1.00 0.00 O ATOM 0 H GLU A 65 5.368 -13.574 4.022 1.00 0.00 H new ATOM 0 HA GLU A 65 6.576 -14.417 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.146 -17.052 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.980 -16.582 6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.061 -14.545 6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.251 -16.081 5.856 1.00 0.00 H new ATOM 987 N ALA A 66 7.659 -15.783 3.123 1.00 0.00 N ATOM 988 CA ALA A 66 8.795 -16.404 2.453 1.00 0.00 C ATOM 989 C ALA A 66 8.985 -15.835 1.049 1.00 0.00 C ATOM 990 O ALA A 66 9.663 -14.822 0.871 1.00 0.00 O ATOM 991 CB ALA A 66 8.610 -17.915 2.397 1.00 0.00 C ATOM 0 H ALA A 66 7.043 -15.255 2.505 1.00 0.00 H new ATOM 0 HA ALA A 66 9.694 -16.180 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.465 -18.368 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.534 -18.310 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.699 -18.150 1.846 1.00 0.00 H new ATOM 997 N ASP A 67 8.382 -16.490 0.059 1.00 0.00 N ATOM 998 CA ASP A 67 8.485 -16.047 -1.329 1.00 0.00 C ATOM 999 C ASP A 67 7.578 -16.878 -2.232 1.00 0.00 C ATOM 1000 O ASP A 67 7.821 -18.064 -2.447 1.00 0.00 O ATOM 1001 CB ASP A 67 9.933 -16.146 -1.815 1.00 0.00 C ATOM 1002 CG ASP A 67 10.146 -15.438 -3.139 1.00 0.00 C ATOM 1003 OD1 ASP A 67 10.409 -14.217 -3.123 1.00 0.00 O ATOM 1004 OD2 ASP A 67 10.048 -16.103 -4.191 1.00 0.00 O ATOM 0 H ASP A 67 7.817 -17.329 0.192 1.00 0.00 H new ATOM 0 HA ASP A 67 8.164 -15.006 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.596 -15.715 -1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.208 -17.196 -1.919 1.00 0.00 H new ATOM 1009 N GLY A 68 6.537 -16.243 -2.759 1.00 0.00 N ATOM 1010 CA GLY A 68 5.610 -16.936 -3.638 1.00 0.00 C ATOM 1011 C GLY A 68 4.827 -18.018 -2.919 1.00 0.00 C ATOM 1012 O GLY A 68 4.750 -19.154 -3.388 1.00 0.00 O ATOM 0 H GLY A 68 6.317 -15.261 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.915 -16.215 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.163 -17.381 -4.466 1.00 0.00 H new ATOM 1016 N HIS A 69 4.242 -17.663 -1.780 1.00 0.00 N ATOM 1017 CA HIS A 69 3.457 -18.610 -0.994 1.00 0.00 C ATOM 1018 C HIS A 69 2.032 -18.101 -0.801 1.00 0.00 C ATOM 1019 O HIS A 69 1.641 -17.090 -1.382 1.00 0.00 O ATOM 1020 CB HIS A 69 4.117 -18.850 0.365 1.00 0.00 C ATOM 1021 CG HIS A 69 4.817 -20.170 0.462 1.00 0.00 C ATOM 1022 ND1 HIS A 69 4.260 -21.353 0.026 1.00 0.00 N ATOM 1023 CD2 HIS A 69 6.038 -20.491 0.954 1.00 0.00 C ATOM 1024 CE1 HIS A 69 5.107 -22.342 0.242 1.00 0.00 C ATOM 1025 NE2 HIS A 69 6.194 -21.846 0.804 1.00 0.00 N ATOM 0 H HIS A 69 4.296 -16.726 -1.380 1.00 0.00 H new ATOM 0 HA HIS A 69 3.417 -19.553 -1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.834 -18.052 0.558 1.00 0.00 H new ATOM 0 HB3 HIS A 69 3.357 -18.792 1.145 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.755 -19.808 1.384 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.939 -23.381 0.000 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.016 -22.383 1.081 1.00 0.00 H new ATOM 1034 N ALA A 70 1.261 -18.809 0.019 1.00 0.00 N ATOM 1035 CA ALA A 70 -0.118 -18.427 0.286 1.00 0.00 C ATOM 1036 C ALA A 70 -0.348 -18.195 1.776 1.00 0.00 C ATOM 1037 O ALA A 70 -0.896 -19.051 2.472 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.070 -19.492 -0.241 1.00 0.00 C ATOM 0 H ALA A 70 1.569 -19.649 0.509 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.316 -17.489 -0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.098 -19.195 -0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.933 -19.603 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.862 -20.442 0.251 1.00 0.00 H new ATOM 1044 N ALA A 71 0.077 -17.031 2.258 1.00 0.00 N ATOM 1045 CA ALA A 71 -0.081 -16.682 3.666 1.00 0.00 C ATOM 1046 C ALA A 71 -0.569 -15.246 3.822 1.00 0.00 C ATOM 1047 O ALA A 71 -1.630 -14.997 4.394 1.00 0.00 O ATOM 1048 CB ALA A 71 1.233 -16.878 4.408 1.00 0.00 C ATOM 0 H ALA A 71 0.533 -16.314 1.695 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.832 -17.343 4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.101 -16.614 5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.542 -17.921 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.999 -16.240 3.967 1.00 0.00 H new ATOM 1054 N VAL A 72 0.217 -14.302 3.309 1.00 0.00 N ATOM 1055 CA VAL A 72 -0.128 -12.887 3.388 1.00 0.00 C ATOM 1056 C VAL A 72 -0.928 -12.451 2.163 1.00 0.00 C ATOM 1057 O VAL A 72 -0.794 -13.028 1.084 1.00 0.00 O ATOM 1058 CB VAL A 72 1.132 -12.002 3.519 1.00 0.00 C ATOM 1059 CG1 VAL A 72 2.194 -12.706 4.351 1.00 0.00 C ATOM 1060 CG2 VAL A 72 1.687 -11.629 2.150 1.00 0.00 C ATOM 0 H VAL A 72 1.099 -14.493 2.833 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.739 -12.758 4.281 1.00 0.00 H new ATOM 0 HB VAL A 72 0.845 -11.082 4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.074 -12.068 4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.800 -12.910 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.470 -13.645 3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.573 -11.006 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.954 -12.535 1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.932 -11.078 1.589 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.759 -11.426 2.334 1.00 0.00 N ATOM 1071 CA VAL A 73 -2.571 -10.919 1.237 1.00 0.00 C ATOM 1072 C VAL A 73 -2.249 -9.457 0.945 1.00 0.00 C ATOM 1073 O VAL A 73 -2.761 -8.552 1.605 1.00 0.00 O ATOM 1074 CB VAL A 73 -4.075 -11.054 1.540 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -4.889 -10.958 0.259 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -4.360 -12.362 2.264 1.00 0.00 C ATOM 0 H VAL A 73 -1.886 -10.934 3.218 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.331 -11.522 0.361 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.369 -10.232 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.949 -11.056 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.709 -9.993 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.593 -11.757 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.428 -12.439 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.049 -13.199 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.807 -12.386 3.203 1.00 0.00 H new ATOM 1086 N PHE A 74 -1.404 -9.241 -0.063 1.00 0.00 N ATOM 1087 CA PHE A 74 -1.003 -7.898 -0.475 1.00 0.00 C ATOM 1088 C PHE A 74 0.006 -7.975 -1.617 1.00 0.00 C ATOM 1089 O PHE A 74 0.437 -9.063 -2.000 1.00 0.00 O ATOM 1090 CB PHE A 74 -0.406 -7.115 0.702 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.633 -5.630 0.614 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.866 -5.122 0.224 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.387 -4.737 0.912 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -2.073 -3.760 0.136 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.182 -3.374 0.823 1.00 0.00 C ATOM 1096 CZ PHE A 74 -1.047 -2.887 0.433 1.00 0.00 C ATOM 0 H PHE A 74 -0.981 -9.988 -0.614 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.893 -7.371 -0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.839 -7.486 1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.666 -7.308 0.750 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.672 -5.801 -0.013 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.353 -5.112 1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.037 -3.378 -0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.984 -2.690 1.059 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.207 -1.821 0.360 1.00 0.00 H new ATOM 1106 N GLY A 75 0.373 -6.820 -2.165 1.00 0.00 N ATOM 1107 CA GLY A 75 1.321 -6.793 -3.266 1.00 0.00 C ATOM 1108 C GLY A 75 0.745 -7.420 -4.521 1.00 0.00 C ATOM 1109 O GLY A 75 1.467 -7.692 -5.482 1.00 0.00 O ATOM 0 H GLY A 75 0.033 -5.905 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.608 -5.762 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.228 -7.324 -2.978 1.00 0.00 H new ATOM 1113 N THR A 76 -0.563 -7.645 -4.503 1.00 0.00 N ATOM 1114 CA THR A 76 -1.271 -8.239 -5.631 1.00 0.00 C ATOM 1115 C THR A 76 -2.696 -7.700 -5.714 1.00 0.00 C ATOM 1116 O THR A 76 -3.183 -7.080 -4.770 1.00 0.00 O ATOM 1117 CB THR A 76 -1.320 -9.774 -5.519 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.464 -10.217 -4.458 1.00 0.00 O ATOM 1119 CG2 THR A 76 -0.892 -10.426 -6.825 1.00 0.00 C ATOM 0 H THR A 76 -1.162 -7.422 -3.708 1.00 0.00 H new ATOM 0 HA THR A 76 -0.723 -7.970 -6.534 1.00 0.00 H new ATOM 0 HB THR A 76 -2.348 -10.067 -5.303 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.503 -11.194 -4.393 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.935 -11.510 -6.721 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.562 -10.111 -7.625 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.127 -10.124 -7.065 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.363 -7.935 -6.839 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.736 -7.469 -7.003 1.00 0.00 C ATOM 1129 C VAL A 77 -5.640 -8.185 -6.004 1.00 0.00 C ATOM 1130 O VAL A 77 -6.020 -9.339 -6.210 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.258 -7.714 -8.432 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -6.550 -6.949 -8.669 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -4.205 -7.324 -9.459 1.00 0.00 C ATOM 0 H VAL A 77 -2.982 -8.438 -7.641 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.747 -6.394 -6.821 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.467 -8.778 -8.544 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.902 -7.135 -9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.305 -7.280 -7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.370 -5.882 -8.537 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.591 -7.504 -10.462 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.962 -6.267 -9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.306 -7.921 -9.304 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.951 -7.504 -4.905 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.774 -8.083 -3.847 1.00 0.00 C ATOM 1145 C VAL A 78 -7.945 -7.184 -3.468 1.00 0.00 C ATOM 1146 O VAL A 78 -8.110 -6.090 -4.006 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.932 -8.311 -2.580 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.873 -9.370 -2.813 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -5.295 -7.003 -2.136 1.00 0.00 C ATOM 0 H VAL A 78 -5.645 -6.548 -4.723 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.159 -9.025 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.590 -8.668 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.293 -9.511 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.352 -10.310 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.211 -9.052 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.701 -7.174 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.652 -6.624 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.075 -6.273 -1.921 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.733 -7.651 -2.500 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.868 -6.893 -1.994 1.00 0.00 C ATOM 1161 C ASP A 79 -9.438 -6.124 -0.753 1.00 0.00 C ATOM 1162 O ASP A 79 -9.132 -6.717 0.279 1.00 0.00 O ATOM 1163 CB ASP A 79 -11.037 -7.823 -1.665 1.00 0.00 C ATOM 1164 CG ASP A 79 -12.033 -7.928 -2.802 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -12.893 -7.031 -2.925 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -11.952 -8.909 -3.572 1.00 0.00 O ATOM 0 H ASP A 79 -8.602 -8.557 -2.051 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.202 -6.193 -2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.652 -8.816 -1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.546 -7.459 -0.773 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.399 -4.804 -0.866 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.982 -3.953 0.232 1.00 0.00 C ATOM 1173 C ILE A 80 -10.169 -3.369 0.980 1.00 0.00 C ATOM 1174 O ILE A 80 -11.293 -3.360 0.482 1.00 0.00 O ATOM 1175 CB ILE A 80 -8.088 -2.803 -0.267 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.913 -1.777 -1.048 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.959 -3.346 -1.130 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.316 -0.386 -1.034 1.00 0.00 C ATOM 0 H ILE A 80 -9.654 -4.299 -1.715 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.415 -4.585 0.916 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.654 -2.304 0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.011 -2.111 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.919 -1.737 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.336 -2.521 -1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.354 -4.038 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.378 -3.869 -1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.952 0.289 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.243 -0.032 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.322 -0.412 -1.480 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.900 -2.881 2.181 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.925 -2.285 3.019 1.00 0.00 C ATOM 1192 C ILE A 81 -10.489 -0.906 3.490 1.00 0.00 C ATOM 1193 O ILE A 81 -9.447 -0.758 4.124 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.215 -3.168 4.243 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -9.904 -3.608 4.888 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.047 -4.375 3.841 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.017 -3.813 6.382 1.00 0.00 C ATOM 0 H ILE A 81 -8.970 -2.887 2.599 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.833 -2.196 2.422 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.785 -2.590 4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.572 -4.537 4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.138 -2.859 4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.244 -4.990 4.719 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -12.992 -4.040 3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -11.503 -4.962 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.052 -4.125 6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.320 -2.879 6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.761 -4.583 6.588 1.00 0.00 H new ATOM 1209 N SER A 82 -11.290 0.103 3.180 1.00 0.00 N ATOM 1210 CA SER A 82 -10.973 1.468 3.578 1.00 0.00 C ATOM 1211 C SER A 82 -11.445 1.743 4.999 1.00 0.00 C ATOM 1212 O SER A 82 -12.165 0.940 5.590 1.00 0.00 O ATOM 1213 CB SER A 82 -11.609 2.466 2.611 1.00 0.00 C ATOM 1214 OG SER A 82 -12.140 1.808 1.473 1.00 0.00 O ATOM 0 H SER A 82 -12.160 0.004 2.657 1.00 0.00 H new ATOM 0 HA SER A 82 -9.890 1.587 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.401 3.015 3.120 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.865 3.198 2.297 1.00 0.00 H new ATOM 0 HG SER A 82 -12.542 2.469 0.871 1.00 0.00 H new ATOM 1220 N ARG A 83 -11.015 2.875 5.543 1.00 0.00 N ATOM 1221 CA ARG A 83 -11.379 3.270 6.905 1.00 0.00 C ATOM 1222 C ARG A 83 -12.864 3.045 7.186 1.00 0.00 C ATOM 1223 O ARG A 83 -13.248 2.718 8.309 1.00 0.00 O ATOM 1224 CB ARG A 83 -11.035 4.743 7.137 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.853 5.703 6.283 1.00 0.00 C ATOM 1226 CD ARG A 83 -11.033 6.910 5.858 1.00 0.00 C ATOM 1227 NE ARG A 83 -11.681 8.166 6.228 1.00 0.00 N ATOM 1228 CZ ARG A 83 -11.232 8.975 7.183 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -10.136 8.662 7.863 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -11.880 10.099 7.460 1.00 0.00 N ATOM 0 H ARG A 83 -10.411 3.541 5.062 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.806 2.643 7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.191 4.982 8.189 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.976 4.897 6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.220 5.182 5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.727 6.035 6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.047 6.860 6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.881 6.884 4.779 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.526 8.438 5.725 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.635 7.798 7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.795 9.285 8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.723 10.343 6.940 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.535 10.719 8.193 1.00 0.00 H new ATOM 1244 N SER A 84 -13.699 3.237 6.166 1.00 0.00 N ATOM 1245 CA SER A 84 -15.141 3.071 6.316 1.00 0.00 C ATOM 1246 C SER A 84 -15.596 1.670 5.910 1.00 0.00 C ATOM 1247 O SER A 84 -16.712 1.258 6.228 1.00 0.00 O ATOM 1248 CB SER A 84 -15.884 4.116 5.481 1.00 0.00 C ATOM 1249 OG SER A 84 -15.811 3.811 4.099 1.00 0.00 O ATOM 0 H SER A 84 -13.401 3.507 5.229 1.00 0.00 H new ATOM 0 HA SER A 84 -15.377 3.210 7.371 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.928 4.160 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.456 5.102 5.662 1.00 0.00 H new ATOM 0 HG SER A 84 -16.295 4.493 3.588 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.735 0.946 5.203 1.00 0.00 N ATOM 1256 CA GLY A 85 -15.081 -0.390 4.763 1.00 0.00 C ATOM 1257 C GLY A 85 -15.789 -0.373 3.435 1.00 0.00 C ATOM 1258 O GLY A 85 -16.900 0.147 3.321 1.00 0.00 O ATOM 0 H GLY A 85 -13.805 1.261 4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.176 -0.993 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.718 -0.865 5.509 1.00 0.00 H new ATOM 1262 N GLU A 86 -15.143 -0.922 2.424 1.00 0.00 N ATOM 1263 CA GLU A 86 -15.718 -0.946 1.093 1.00 0.00 C ATOM 1264 C GLU A 86 -15.509 -2.300 0.418 1.00 0.00 C ATOM 1265 O GLU A 86 -16.295 -2.697 -0.444 1.00 0.00 O ATOM 1266 CB GLU A 86 -15.100 0.167 0.259 1.00 0.00 C ATOM 1267 CG GLU A 86 -15.796 1.510 0.421 1.00 0.00 C ATOM 1268 CD GLU A 86 -15.585 2.425 -0.769 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -14.463 2.437 -1.318 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -16.543 3.128 -1.153 1.00 0.00 O ATOM 0 H GLU A 86 -14.223 -1.356 2.498 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.793 -0.787 1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.051 0.276 0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.126 -0.121 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -16.864 1.346 0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.426 2.000 1.321 1.00 0.00 H new ATOM 1277 N LYS A 87 -14.450 -3.001 0.815 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.132 -4.313 0.251 1.00 0.00 C ATOM 1279 C LYS A 87 -14.217 -4.284 -1.274 1.00 0.00 C ATOM 1280 O LYS A 87 -14.929 -5.084 -1.882 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.075 -5.389 0.804 1.00 0.00 C ATOM 1282 CG LYS A 87 -15.755 -5.007 2.113 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.114 -5.707 3.301 1.00 0.00 C ATOM 1284 CE LYS A 87 -15.707 -7.089 3.522 1.00 0.00 C ATOM 1285 NZ LYS A 87 -15.840 -7.410 4.972 1.00 0.00 N ATOM 0 H LYS A 87 -13.794 -2.682 1.528 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.111 -4.559 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.841 -5.604 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.510 -6.309 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.698 -3.927 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.812 -5.267 2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.040 -5.793 3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.252 -5.103 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.686 -7.145 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.076 -7.836 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.248 -8.360 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.902 -7.382 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.463 -6.712 5.426 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.488 -3.354 -1.884 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.485 -3.220 -3.336 1.00 0.00 C ATOM 1301 C ILE A 88 -12.235 -3.850 -3.947 1.00 0.00 C ATOM 1302 O ILE A 88 -11.152 -3.790 -3.365 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.566 -1.740 -3.763 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.400 -0.947 -3.168 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -14.895 -1.139 -3.337 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -11.999 0.252 -3.999 1.00 0.00 C ATOM 0 H ILE A 88 -12.893 -2.684 -1.396 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.366 -3.745 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.497 -1.687 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -12.673 -0.611 -2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.540 -1.608 -3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -14.937 -0.094 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.710 -1.689 -3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -14.992 -1.202 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.167 0.767 -3.518 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.695 -0.079 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.845 0.933 -4.087 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.369 -4.466 -5.136 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.245 -5.110 -5.824 1.00 0.00 C ATOM 1320 C PRO A 89 -10.290 -4.098 -6.451 1.00 0.00 C ATOM 1321 O PRO A 89 -10.708 -3.213 -7.202 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.932 -5.940 -6.909 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.195 -5.206 -7.201 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.628 -4.587 -5.901 1.00 0.00 C ATOM 0 HA PRO A 89 -10.628 -5.695 -5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.308 -6.024 -7.799 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.134 -6.954 -6.564 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.035 -4.442 -7.962 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.959 -5.882 -7.584 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.097 -3.616 -6.056 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.354 -5.212 -5.382 1.00 0.00 H new ATOM 1332 N VAL A 90 -9.004 -4.236 -6.142 1.00 0.00 N ATOM 1333 CA VAL A 90 -7.990 -3.336 -6.678 1.00 0.00 C ATOM 1334 C VAL A 90 -6.662 -4.056 -6.876 1.00 0.00 C ATOM 1335 O VAL A 90 -6.421 -5.109 -6.288 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.762 -2.122 -5.755 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -8.600 -0.937 -6.209 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -8.071 -2.481 -4.311 1.00 0.00 C ATOM 0 H VAL A 90 -8.641 -4.962 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.363 -2.988 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.712 -1.838 -5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.424 -0.091 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.321 -0.663 -7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.656 -1.206 -6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.904 -1.611 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.111 -2.796 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.420 -3.294 -3.991 1.00 0.00 H new ATOM 1348 N SER A 91 -5.806 -3.469 -7.704 1.00 0.00 N ATOM 1349 CA SER A 91 -4.493 -4.040 -7.984 1.00 0.00 C ATOM 1350 C SER A 91 -3.437 -3.431 -7.068 1.00 0.00 C ATOM 1351 O SER A 91 -3.334 -2.212 -6.953 1.00 0.00 O ATOM 1352 CB SER A 91 -4.116 -3.806 -9.447 1.00 0.00 C ATOM 1353 OG SER A 91 -5.252 -3.460 -10.221 1.00 0.00 O ATOM 0 H SER A 91 -5.998 -2.596 -8.195 1.00 0.00 H new ATOM 0 HA SER A 91 -4.538 -5.113 -7.797 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.373 -3.011 -9.511 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.655 -4.706 -9.855 1.00 0.00 H new ATOM 0 HG SER A 91 -4.982 -3.314 -11.152 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.657 -4.289 -6.413 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.614 -3.824 -5.505 1.00 0.00 C ATOM 1361 C VAL A 92 -0.245 -4.362 -5.910 1.00 0.00 C ATOM 1362 O VAL A 92 -0.107 -5.532 -6.256 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.910 -4.254 -4.054 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.794 -3.810 -3.121 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.249 -3.699 -3.595 1.00 0.00 C ATOM 0 H VAL A 92 -2.728 -5.303 -6.494 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.603 -2.736 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.962 -5.342 -4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.024 -4.124 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.146 -4.263 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.703 -2.724 -3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.441 -4.013 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.227 -2.610 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.040 -4.075 -4.243 1.00 0.00 H new ATOM 1375 N TRP A 93 0.767 -3.499 -5.855 1.00 0.00 N ATOM 1376 CA TRP A 93 2.127 -3.905 -6.202 1.00 0.00 C ATOM 1377 C TRP A 93 3.150 -3.231 -5.296 1.00 0.00 C ATOM 1378 O TRP A 93 3.406 -2.031 -5.411 1.00 0.00 O ATOM 1379 CB TRP A 93 2.458 -3.615 -7.676 1.00 0.00 C ATOM 1380 CG TRP A 93 1.498 -2.694 -8.375 1.00 0.00 C ATOM 1381 CD1 TRP A 93 0.177 -2.924 -8.641 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.798 -1.406 -8.927 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.364 -1.852 -9.307 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.610 -0.910 -9.496 1.00 0.00 C ATOM 1385 CE3 TRP A 93 2.953 -0.622 -8.989 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.545 0.332 -10.120 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 2.889 0.612 -9.610 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.693 1.079 -10.168 1.00 0.00 C ATOM 0 H TRP A 93 0.673 -2.522 -5.576 1.00 0.00 H new ATOM 0 HA TRP A 93 2.179 -4.983 -6.052 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.457 -3.182 -7.730 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.491 -4.560 -8.218 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.363 -3.819 -8.367 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.334 -1.771 -9.611 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.879 -0.974 -8.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.377 0.694 -10.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.776 1.225 -9.665 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.675 2.047 -10.646 1.00 0.00 H new ATOM 1399 N MET A 94 3.737 -4.017 -4.397 1.00 0.00 N ATOM 1400 CA MET A 94 4.742 -3.516 -3.466 1.00 0.00 C ATOM 1401 C MET A 94 6.147 -3.859 -3.957 1.00 0.00 C ATOM 1402 O MET A 94 6.486 -5.031 -4.116 1.00 0.00 O ATOM 1403 CB MET A 94 4.510 -4.113 -2.075 1.00 0.00 C ATOM 1404 CG MET A 94 5.020 -3.238 -0.943 1.00 0.00 C ATOM 1405 SD MET A 94 4.261 -3.639 0.644 1.00 0.00 S ATOM 1406 CE MET A 94 5.705 -3.736 1.705 1.00 0.00 C ATOM 0 H MET A 94 3.531 -5.011 -4.294 1.00 0.00 H new ATOM 0 HA MET A 94 4.652 -2.431 -3.408 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.443 -4.286 -1.937 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.000 -5.085 -2.020 1.00 0.00 H new ATOM 0 HG2 MET A 94 6.101 -3.349 -0.862 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.824 -2.192 -1.181 1.00 0.00 H new ATOM 0 HE1 MET A 94 5.404 -4.064 2.700 1.00 0.00 H new ATOM 0 HE2 MET A 94 6.416 -4.449 1.287 1.00 0.00 H new ATOM 0 HE3 MET A 94 6.173 -2.754 1.773 1.00 0.00 H new ATOM 1416 N LYS A 95 6.956 -2.831 -4.207 1.00 0.00 N ATOM 1417 CA LYS A 95 8.319 -3.038 -4.690 1.00 0.00 C ATOM 1418 C LYS A 95 9.219 -1.858 -4.333 1.00 0.00 C ATOM 1419 O LYS A 95 8.747 -0.733 -4.155 1.00 0.00 O ATOM 1420 CB LYS A 95 8.318 -3.245 -6.205 1.00 0.00 C ATOM 1421 CG LYS A 95 7.552 -2.174 -6.966 1.00 0.00 C ATOM 1422 CD LYS A 95 6.940 -2.729 -8.244 1.00 0.00 C ATOM 1423 CE LYS A 95 6.673 -1.626 -9.255 1.00 0.00 C ATOM 1424 NZ LYS A 95 7.931 -1.126 -9.877 1.00 0.00 N ATOM 0 H LYS A 95 6.693 -1.853 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 95 8.713 -3.930 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.348 -3.265 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.884 -4.219 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.765 -1.767 -6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.222 -1.350 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.612 -3.469 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.008 -3.243 -8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.007 -2.000 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 95 6.158 -0.800 -8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.702 -0.570 -10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.440 -0.526 -9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.531 -1.933 -10.143 1.00 0.00 H new ATOM 1438 N ARG A 96 10.520 -2.123 -4.242 1.00 0.00 N ATOM 1439 CA ARG A 96 11.498 -1.091 -3.916 1.00 0.00 C ATOM 1440 C ARG A 96 11.526 -0.009 -4.992 1.00 0.00 C ATOM 1441 O ARG A 96 10.729 -0.037 -5.932 1.00 0.00 O ATOM 1442 CB ARG A 96 12.889 -1.709 -3.768 1.00 0.00 C ATOM 1443 CG ARG A 96 13.437 -2.296 -5.057 1.00 0.00 C ATOM 1444 CD ARG A 96 13.736 -3.781 -4.913 1.00 0.00 C ATOM 1445 NE ARG A 96 12.650 -4.495 -4.247 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.810 -5.216 -3.141 1.00 0.00 C ATOM 1447 NH1 ARG A 96 14.005 -5.314 -2.576 1.00 0.00 N ATOM 1448 NH2 ARG A 96 11.774 -5.838 -2.599 1.00 0.00 N ATOM 0 H ARG A 96 10.922 -3.049 -4.390 1.00 0.00 H new ATOM 0 HA ARG A 96 11.205 -0.633 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.578 -0.947 -3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.850 -2.492 -3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.717 -2.146 -5.861 1.00 0.00 H new ATOM 0 HG3 ARG A 96 14.347 -1.767 -5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.904 -4.214 -5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.658 -3.912 -4.346 1.00 0.00 H new ATOM 0 HE ARG A 96 11.716 -4.437 -4.653 1.00 0.00 H new ATOM 0 HH11 ARG A 96 14.805 -4.836 -2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.124 -5.868 -1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.852 -5.764 -3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.898 -6.391 -1.751 1.00 0.00 H new ATOM 1462 N MET A 97 12.458 0.935 -4.850 1.00 0.00 N ATOM 1463 CA MET A 97 12.608 2.033 -5.803 1.00 0.00 C ATOM 1464 C MET A 97 13.610 3.057 -5.279 1.00 0.00 C ATOM 1465 O MET A 97 13.952 4.014 -5.973 1.00 0.00 O ATOM 1466 CB MET A 97 11.269 2.720 -6.058 1.00 0.00 C ATOM 1467 CG MET A 97 10.672 3.350 -4.810 1.00 0.00 C ATOM 1468 SD MET A 97 9.855 4.919 -5.157 1.00 0.00 S ATOM 1469 CE MET A 97 8.702 4.428 -6.436 1.00 0.00 C ATOM 0 H MET A 97 13.124 0.959 -4.078 1.00 0.00 H new ATOM 0 HA MET A 97 12.974 1.614 -6.741 1.00 0.00 H new ATOM 0 HB2 MET A 97 11.402 3.490 -6.818 1.00 0.00 H new ATOM 0 HB3 MET A 97 10.565 1.992 -6.462 1.00 0.00 H new ATOM 0 HG2 MET A 97 9.955 2.660 -4.366 1.00 0.00 H new ATOM 0 HG3 MET A 97 11.460 3.509 -4.074 1.00 0.00 H new ATOM 0 HE1 MET A 97 7.847 5.105 -6.435 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.196 4.469 -7.407 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.360 3.411 -6.246 1.00 0.00 H new ATOM 1479 N ARG A 98 14.082 2.826 -4.053 1.00 0.00 N ATOM 1480 CA ARG A 98 15.058 3.690 -3.396 1.00 0.00 C ATOM 1481 C ARG A 98 14.870 5.159 -3.749 1.00 0.00 C ATOM 1482 O ARG A 98 15.432 5.659 -4.724 1.00 0.00 O ATOM 1483 CB ARG A 98 16.463 3.223 -3.747 1.00 0.00 C ATOM 1484 CG ARG A 98 16.774 1.850 -3.181 1.00 0.00 C ATOM 1485 CD ARG A 98 16.032 0.753 -3.928 1.00 0.00 C ATOM 1486 NE ARG A 98 16.888 -0.396 -4.210 1.00 0.00 N ATOM 1487 CZ ARG A 98 16.872 -1.063 -5.362 1.00 0.00 C ATOM 1488 NH1 ARG A 98 16.051 -0.693 -6.335 1.00 0.00 N ATOM 1489 NH2 ARG A 98 17.678 -2.100 -5.540 1.00 0.00 N ATOM 0 H ARG A 98 13.795 2.028 -3.486 1.00 0.00 H new ATOM 0 HA ARG A 98 14.903 3.612 -2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.575 3.200 -4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.188 3.943 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 98 17.847 1.667 -3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 98 16.501 1.821 -2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 98 15.175 0.429 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.642 1.152 -4.864 1.00 0.00 H new ATOM 0 HE ARG A 98 17.534 -0.705 -3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.429 0.105 -6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.041 -1.206 -7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 98 18.311 -2.388 -4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 98 17.665 -2.610 -6.423 1.00 0.00 H new ATOM 1503 N GLN A 99 14.082 5.843 -2.931 1.00 0.00 N ATOM 1504 CA GLN A 99 13.813 7.264 -3.131 1.00 0.00 C ATOM 1505 C GLN A 99 14.978 8.108 -2.624 1.00 0.00 C ATOM 1506 O GLN A 99 15.327 9.124 -3.225 1.00 0.00 O ATOM 1507 CB GLN A 99 12.525 7.673 -2.412 1.00 0.00 C ATOM 1508 CG GLN A 99 11.330 6.798 -2.750 1.00 0.00 C ATOM 1509 CD GLN A 99 10.217 7.567 -3.439 1.00 0.00 C ATOM 1510 OE1 GLN A 99 9.092 7.726 -2.747 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.365 8.011 -4.576 1.00 0.00 N flip ATOM 0 H GLN A 99 13.616 5.437 -2.120 1.00 0.00 H new ATOM 0 HA GLN A 99 13.692 7.438 -4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.695 7.640 -1.336 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.290 8.707 -2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.654 5.981 -3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 99 10.943 6.349 -1.835 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.246 7.865 -5.070 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.607 8.525 -5.025 1.00 0.00 H new ATOM 1520 N GLU A 100 15.572 7.682 -1.514 1.00 0.00 N ATOM 1521 CA GLU A 100 16.696 8.401 -0.925 1.00 0.00 C ATOM 1522 C GLU A 100 17.934 7.510 -0.838 1.00 0.00 C ATOM 1523 O GLU A 100 18.668 7.359 -1.816 1.00 0.00 O ATOM 1524 CB GLU A 100 16.322 8.925 0.463 1.00 0.00 C ATOM 1525 CG GLU A 100 14.947 9.570 0.520 1.00 0.00 C ATOM 1526 CD GLU A 100 14.401 9.651 1.933 1.00 0.00 C ATOM 1527 OE1 GLU A 100 14.036 8.594 2.489 1.00 0.00 O ATOM 1528 OE2 GLU A 100 14.337 10.771 2.481 1.00 0.00 O ATOM 0 H GLU A 100 15.294 6.843 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 100 16.932 9.247 -1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 100 16.357 8.100 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 100 17.069 9.653 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 100 15.002 10.573 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.256 9.000 -0.101 1.00 0.00 H new ATOM 1535 N ARG A 101 18.167 6.924 0.335 1.00 0.00 N ATOM 1536 CA ARG A 101 19.320 6.054 0.541 1.00 0.00 C ATOM 1537 C ARG A 101 18.911 4.764 1.245 1.00 0.00 C ATOM 1538 O ARG A 101 19.746 3.898 1.507 1.00 0.00 O ATOM 1539 CB ARG A 101 20.390 6.774 1.366 1.00 0.00 C ATOM 1540 CG ARG A 101 20.593 8.228 0.970 1.00 0.00 C ATOM 1541 CD ARG A 101 21.932 8.433 0.283 1.00 0.00 C ATOM 1542 NE ARG A 101 22.006 7.723 -0.992 1.00 0.00 N ATOM 1543 CZ ARG A 101 22.930 7.962 -1.917 1.00 0.00 C ATOM 1544 NH1 ARG A 101 23.859 8.887 -1.710 1.00 0.00 N ATOM 1545 NH2 ARG A 101 22.928 7.275 -3.051 1.00 0.00 N ATOM 0 H ARG A 101 17.572 7.037 1.156 1.00 0.00 H new ATOM 0 HA ARG A 101 19.729 5.802 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 101 20.115 6.729 2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 101 21.336 6.243 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 101 19.789 8.541 0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 101 20.537 8.860 1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 101 22.094 9.498 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 101 22.732 8.088 0.938 1.00 0.00 H new ATOM 0 HE ARG A 101 21.309 7.003 -1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 101 23.865 9.417 -0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 101 24.566 9.068 -2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 101 22.217 6.562 -3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.638 7.459 -3.760 1.00 0.00 H new ATOM 1559 N ARG A 102 17.623 4.645 1.552 1.00 0.00 N ATOM 1560 CA ARG A 102 17.109 3.462 2.232 1.00 0.00 C ATOM 1561 C ARG A 102 16.117 2.711 1.349 1.00 0.00 C ATOM 1562 O ARG A 102 15.298 3.321 0.661 1.00 0.00 O ATOM 1563 CB ARG A 102 16.436 3.861 3.550 1.00 0.00 C ATOM 1564 CG ARG A 102 15.619 2.744 4.189 1.00 0.00 C ATOM 1565 CD ARG A 102 14.297 3.260 4.735 1.00 0.00 C ATOM 1566 NE ARG A 102 14.449 4.544 5.418 1.00 0.00 N ATOM 1567 CZ ARG A 102 14.396 4.690 6.739 1.00 0.00 C ATOM 1568 NH1 ARG A 102 14.196 3.638 7.520 1.00 0.00 N ATOM 1569 NH2 ARG A 102 14.543 5.892 7.279 1.00 0.00 N ATOM 0 H ARG A 102 16.918 5.351 1.341 1.00 0.00 H new ATOM 0 HA ARG A 102 17.950 2.801 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.202 4.186 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.785 4.717 3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.429 1.964 3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 102 16.193 2.288 4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.584 3.367 3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.881 2.528 5.427 1.00 0.00 H new ATOM 0 HE ARG A 102 14.605 5.376 4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 102 14.082 2.712 7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 102 14.156 3.755 8.533 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.697 6.704 6.681 1.00 0.00 H new ATOM 0 HH22 ARG A 102 14.502 6.004 8.292 1.00 0.00 H new ATOM 1583 N LEU A 103 16.188 1.383 1.387 1.00 0.00 N ATOM 1584 CA LEU A 103 15.289 0.545 0.603 1.00 0.00 C ATOM 1585 C LEU A 103 13.841 0.847 0.970 1.00 0.00 C ATOM 1586 O LEU A 103 13.346 0.392 2.002 1.00 0.00 O ATOM 1587 CB LEU A 103 15.593 -0.935 0.850 1.00 0.00 C ATOM 1588 CG LEU A 103 15.324 -1.866 -0.335 1.00 0.00 C ATOM 1589 CD1 LEU A 103 15.974 -3.221 -0.102 1.00 0.00 C ATOM 1590 CD2 LEU A 103 13.830 -2.025 -0.559 1.00 0.00 C ATOM 0 H LEU A 103 16.860 0.865 1.953 1.00 0.00 H new ATOM 0 HA LEU A 103 15.441 0.763 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 103 16.641 -1.031 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.999 -1.274 1.699 1.00 0.00 H new ATOM 0 HG LEU A 103 15.760 -1.422 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 103 15.774 -3.872 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 103 17.050 -3.093 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 103 15.564 -3.670 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 103 13.658 -2.690 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 103 13.371 -2.448 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.388 -1.051 -0.767 1.00 0.00 H new ATOM 1602 N CYS A 104 13.173 1.633 0.134 1.00 0.00 N ATOM 1603 CA CYS A 104 11.791 2.010 0.392 1.00 0.00 C ATOM 1604 C CYS A 104 10.814 1.207 -0.460 1.00 0.00 C ATOM 1605 O CYS A 104 10.946 1.132 -1.681 1.00 0.00 O ATOM 1606 CB CYS A 104 11.598 3.509 0.149 1.00 0.00 C ATOM 1607 SG CYS A 104 10.264 3.918 -1.003 1.00 0.00 S ATOM 0 H CYS A 104 13.565 2.020 -0.725 1.00 0.00 H new ATOM 0 HA CYS A 104 11.578 1.784 1.437 1.00 0.00 H new ATOM 0 HB2 CYS A 104 11.398 3.996 1.104 1.00 0.00 H new ATOM 0 HB3 CYS A 104 12.530 3.925 -0.232 1.00 0.00 H new ATOM 0 HG CYS A 104 10.281 3.084 -2.000 1.00 0.00 H new ATOM 1613 N CYS A 105 9.822 0.625 0.206 1.00 0.00 N ATOM 1614 CA CYS A 105 8.796 -0.159 -0.461 1.00 0.00 C ATOM 1615 C CYS A 105 7.604 0.727 -0.813 1.00 0.00 C ATOM 1616 O CYS A 105 7.108 1.472 0.031 1.00 0.00 O ATOM 1617 CB CYS A 105 8.347 -1.306 0.445 1.00 0.00 C ATOM 1618 SG CYS A 105 8.313 -2.920 -0.370 1.00 0.00 S ATOM 0 H CYS A 105 9.709 0.685 1.218 1.00 0.00 H new ATOM 0 HA CYS A 105 9.209 -0.573 -1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 105 9.015 -1.359 1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 105 7.351 -1.083 0.829 1.00 0.00 H new ATOM 0 HG CYS A 105 8.366 -3.860 0.526 1.00 0.00 H new ATOM 1624 N VAL A 106 7.151 0.653 -2.059 1.00 0.00 N ATOM 1625 CA VAL A 106 6.024 1.462 -2.504 1.00 0.00 C ATOM 1626 C VAL A 106 4.849 0.591 -2.936 1.00 0.00 C ATOM 1627 O VAL A 106 5.035 -0.453 -3.564 1.00 0.00 O ATOM 1628 CB VAL A 106 6.425 2.383 -3.673 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.234 3.202 -4.153 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.572 3.292 -3.261 1.00 0.00 C ATOM 0 H VAL A 106 7.545 0.044 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 106 5.720 2.073 -1.654 1.00 0.00 H new ATOM 0 HB VAL A 106 6.759 1.759 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.543 3.844 -4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.444 2.532 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.862 3.818 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.844 3.936 -4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.264 3.906 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.432 2.686 -2.975 1.00 0.00 H new ATOM 1640 N VAL A 107 3.641 1.035 -2.603 1.00 0.00 N ATOM 1641 CA VAL A 107 2.429 0.311 -2.958 1.00 0.00 C ATOM 1642 C VAL A 107 1.494 1.214 -3.759 1.00 0.00 C ATOM 1643 O VAL A 107 1.278 2.371 -3.398 1.00 0.00 O ATOM 1644 CB VAL A 107 1.707 -0.219 -1.696 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.206 0.041 -1.752 1.00 0.00 C ATOM 1646 CG2 VAL A 107 1.986 -1.701 -1.514 1.00 0.00 C ATOM 0 H VAL A 107 3.477 1.898 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 107 2.711 -0.545 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 107 2.100 0.324 -0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.264 -0.346 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.025 1.113 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.217 -0.458 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.472 -2.061 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.627 -2.248 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.059 -1.858 -1.403 1.00 0.00 H new ATOM 1656 N VAL A 108 0.950 0.688 -4.851 1.00 0.00 N ATOM 1657 CA VAL A 108 0.052 1.465 -5.694 1.00 0.00 C ATOM 1658 C VAL A 108 -1.250 0.718 -5.966 1.00 0.00 C ATOM 1659 O VAL A 108 -1.250 -0.352 -6.578 1.00 0.00 O ATOM 1660 CB VAL A 108 0.714 1.829 -7.036 1.00 0.00 C ATOM 1661 CG1 VAL A 108 -0.060 2.937 -7.732 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.164 2.238 -6.822 1.00 0.00 C ATOM 0 H VAL A 108 1.114 -0.267 -5.171 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.173 2.380 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 108 0.698 0.948 -7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.424 3.180 -8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.081 2.604 -7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.079 3.822 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.616 2.492 -7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.204 3.104 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.712 1.411 -6.370 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.358 1.292 -5.502 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.669 0.687 -5.688 1.00 0.00 C ATOM 1674 C LEU A 109 -4.356 1.245 -6.928 1.00 0.00 C ATOM 1675 O LEU A 109 -4.564 2.453 -7.046 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.527 0.941 -4.454 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.745 0.975 -3.146 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.427 1.880 -2.136 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -3.587 -0.432 -2.596 1.00 0.00 C ATOM 0 H LEU A 109 -2.371 2.177 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.541 -0.386 -5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.049 1.890 -4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.289 0.164 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.753 1.382 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.852 1.890 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.487 2.892 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.432 1.509 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.027 -0.397 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.571 -0.864 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.049 -1.047 -3.318 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.705 0.358 -7.852 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.367 0.758 -9.085 1.00 0.00 C ATOM 1693 C GLU A 110 -6.710 0.047 -9.237 1.00 0.00 C ATOM 1694 O GLU A 110 -6.759 -1.179 -9.329 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.476 0.452 -10.291 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.740 1.353 -11.486 1.00 0.00 C ATOM 1697 CD GLU A 110 -3.976 0.922 -12.722 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -4.025 -0.277 -13.063 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -3.328 1.787 -13.348 1.00 0.00 O ATOM 0 H GLU A 110 -4.540 -0.645 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.547 1.832 -9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.432 0.551 -9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.626 -0.586 -10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.808 1.355 -11.706 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.465 2.377 -11.232 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.819 0.808 -9.264 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.161 0.236 -9.407 1.00 0.00 C ATOM 1708 C PRO A 111 -9.245 -0.746 -10.570 1.00 0.00 C ATOM 1709 O PRO A 111 -8.754 -0.466 -11.666 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.043 1.456 -9.670 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.322 2.589 -9.024 1.00 0.00 C ATOM 1712 CD PRO A 111 -7.857 2.281 -9.163 1.00 0.00 C ATOM 0 HA PRO A 111 -9.458 -0.336 -8.528 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.174 1.627 -10.738 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.038 1.325 -9.244 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.569 3.535 -9.506 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.603 2.683 -7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.430 2.754 -10.047 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.289 2.639 -8.304 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.864 -1.897 -10.328 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.003 -2.915 -11.362 1.00 0.00 C ATOM 1722 C VAL A 112 -10.928 -2.445 -12.480 1.00 0.00 C ATOM 1723 O VAL A 112 -11.857 -1.670 -12.247 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.551 -4.233 -10.782 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.576 -4.819 -9.770 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.917 -4.013 -10.149 1.00 0.00 C ATOM 0 H VAL A 112 -10.276 -2.147 -9.429 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.006 -3.089 -11.768 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.665 -4.946 -11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.981 -5.749 -9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.621 -5.018 -10.257 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.427 -4.110 -8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.287 -4.955 -9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.832 -3.282 -9.345 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.612 -3.644 -10.903 1.00 0.00 H new ATOM 1736 N GLU A 113 -10.664 -2.916 -13.695 1.00 0.00 N ATOM 1737 CA GLU A 113 -11.468 -2.544 -14.854 1.00 0.00 C ATOM 1738 C GLU A 113 -12.398 -3.684 -15.262 1.00 0.00 C ATOM 1739 O GLU A 113 -12.543 -3.984 -16.447 1.00 0.00 O ATOM 1740 CB GLU A 113 -10.567 -2.163 -16.027 1.00 0.00 C ATOM 1741 CG GLU A 113 -10.008 -0.752 -15.934 1.00 0.00 C ATOM 1742 CD GLU A 113 -10.991 0.295 -16.418 1.00 0.00 C ATOM 1743 OE1 GLU A 113 -11.407 0.220 -17.592 1.00 0.00 O ATOM 1744 OE2 GLU A 113 -11.345 1.190 -15.620 1.00 0.00 O ATOM 0 H GLU A 113 -9.898 -3.557 -13.902 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.077 -1.683 -14.578 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.739 -2.870 -16.082 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.132 -2.260 -16.954 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.736 -0.540 -14.900 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.094 -0.687 -16.524 1.00 0.00 H new ATOM 1751 N ARG A 114 -13.024 -4.313 -14.271 1.00 0.00 N ATOM 1752 CA ARG A 114 -13.943 -5.419 -14.522 1.00 0.00 C ATOM 1753 C ARG A 114 -13.259 -6.525 -15.324 1.00 0.00 C ATOM 1754 O ARG A 114 -13.825 -6.947 -16.355 1.00 0.00 O ATOM 1755 CB ARG A 114 -15.187 -4.925 -15.266 1.00 0.00 C ATOM 1756 CG ARG A 114 -15.686 -3.571 -14.787 1.00 0.00 C ATOM 1757 CD ARG A 114 -17.041 -3.233 -15.387 1.00 0.00 C ATOM 1758 NE ARG A 114 -17.890 -2.508 -14.447 1.00 0.00 N ATOM 1759 CZ ARG A 114 -18.904 -1.729 -14.817 1.00 0.00 C ATOM 1760 NH1 ARG A 114 -19.188 -1.573 -16.103 1.00 0.00 N ATOM 1761 NH2 ARG A 114 -19.632 -1.102 -13.903 1.00 0.00 N ATOM 1762 OXT ARG A 114 -12.161 -6.957 -14.914 1.00 0.00 O ATOM 0 H ARG A 114 -12.911 -4.075 -13.286 1.00 0.00 H new ATOM 0 HA ARG A 114 -14.247 -5.828 -13.559 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -14.963 -4.864 -16.331 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -15.985 -5.659 -15.150 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -15.759 -3.573 -13.699 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -14.965 -2.800 -15.057 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -16.900 -2.632 -16.286 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -17.541 -4.152 -15.693 1.00 0.00 H new ATOM 0 HE ARG A 114 -17.695 -2.604 -13.450 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -18.629 -2.050 -16.810 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -19.965 -0.976 -16.385 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -19.416 -1.216 -12.913 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -20.408 -0.506 -14.190 1.00 0.00 H new TER 1776 ARG A 114