USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 806 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 86 THR OG1 : rot 180:sc= -0.713 USER MOD Set 1.2: A 89 GLN : amide:sc= 0 X(o=-0.71,f=-0.71) USER MOD Set 2.1: A 68 GLN : amide:sc= -1 K(o=-2.9,f=-4.4!) USER MOD Set 2.2: A 71 GLN : amide:sc= -1.95 K(o=-2.9,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.0325 (180deg=0) USER MOD Single : A 4 ASN : amide:sc=-0.00344 X(o=-0.0034,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.277 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 62:sc= 0.978 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 115:sc= 1.22 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 171:sc= 0.186! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.1) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 53 SER OG : rot 4:sc= 0.767 USER MOD Single : A 55 GLN : amide:sc= -0.0212 K(o=-0.021,f=-1.2!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -108:sc= 0.565 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.0623) USER MOD Single : A 67 SER OG : rot 50:sc= 0.543 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 79 LYS NZ :NH3+ 150:sc=-0.00231 (180deg=-0.344) USER MOD Single : A 82 LYS NZ :NH3+ -157:sc= -0.281 (180deg=-1.42) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.765 X(o=-0.77,f=-0.66) USER MOD Single : A 93 HIS : no HD1:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.699 5.597 -46.501 1.00 0.00 N ATOM 2 CA MET A 1 -0.691 7.038 -46.887 1.00 0.00 C ATOM 3 C MET A 1 0.745 7.571 -46.907 1.00 0.00 C ATOM 4 O MET A 1 1.692 6.822 -47.049 1.00 0.00 O ATOM 5 CB MET A 1 -1.513 7.742 -45.807 1.00 0.00 C ATOM 6 CG MET A 1 -2.445 8.767 -46.460 1.00 0.00 C ATOM 7 SD MET A 1 -3.572 9.438 -45.213 1.00 0.00 S ATOM 8 CE MET A 1 -4.769 10.167 -46.357 1.00 0.00 C ATOM 0 H1 MET A 1 -1.476 5.110 -46.992 1.00 0.00 H new ATOM 0 H2 MET A 1 0.206 5.161 -46.769 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.833 5.514 -45.473 1.00 0.00 H new ATOM 0 HA MET A 1 -1.103 7.203 -47.882 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.095 7.012 -45.245 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.851 8.237 -45.097 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.862 9.571 -46.909 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.012 8.298 -47.264 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.569 10.645 -45.791 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.271 10.910 -46.980 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.190 9.386 -46.990 1.00 0.00 H new ATOM 20 N ALA A 2 0.912 8.860 -46.767 1.00 0.00 N ATOM 21 CA ALA A 2 2.286 9.442 -46.777 1.00 0.00 C ATOM 22 C ALA A 2 3.043 9.039 -45.508 1.00 0.00 C ATOM 23 O ALA A 2 3.906 8.184 -45.535 1.00 0.00 O ATOM 24 CB ALA A 2 2.077 10.957 -46.821 1.00 0.00 C ATOM 0 H ALA A 2 0.156 9.534 -46.646 1.00 0.00 H new ATOM 0 HA ALA A 2 2.876 9.089 -47.622 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.045 11.458 -46.831 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.523 11.222 -47.721 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.514 11.272 -45.942 1.00 0.00 H new ATOM 30 N GLU A 3 2.726 9.650 -44.396 1.00 0.00 N ATOM 31 CA GLU A 3 3.424 9.307 -43.118 1.00 0.00 C ATOM 32 C GLU A 3 4.944 9.395 -43.299 1.00 0.00 C ATOM 33 O GLU A 3 5.609 8.406 -43.539 1.00 0.00 O ATOM 34 CB GLU A 3 3.003 7.868 -42.804 1.00 0.00 C ATOM 35 CG GLU A 3 2.085 7.858 -41.579 1.00 0.00 C ATOM 36 CD GLU A 3 1.442 6.478 -41.434 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.161 5.498 -41.529 1.00 0.00 O ATOM 38 OE2 GLU A 3 0.240 6.425 -41.230 1.00 0.00 O ATOM 0 H GLU A 3 2.012 10.374 -44.316 1.00 0.00 H new ATOM 0 HA GLU A 3 3.162 9.992 -42.312 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.488 7.434 -43.661 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.883 7.253 -42.616 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.655 8.101 -40.682 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.314 8.621 -41.683 1.00 0.00 H new ATOM 45 N ASN A 4 5.497 10.574 -43.188 1.00 0.00 N ATOM 46 CA ASN A 4 6.972 10.728 -43.354 1.00 0.00 C ATOM 47 C ASN A 4 7.685 10.457 -42.026 1.00 0.00 C ATOM 48 O ASN A 4 7.390 11.066 -41.015 1.00 0.00 O ATOM 49 CB ASN A 4 7.171 12.182 -43.781 1.00 0.00 C ATOM 50 CG ASN A 4 6.976 12.300 -45.294 1.00 0.00 C ATOM 51 OD1 ASN A 4 7.927 12.478 -46.029 1.00 0.00 O ATOM 52 ND2 ASN A 4 5.774 12.207 -45.794 1.00 0.00 N ATOM 0 H ASN A 4 4.991 11.437 -42.990 1.00 0.00 H new ATOM 0 HA ASN A 4 7.381 10.028 -44.083 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.461 12.825 -43.261 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.170 12.520 -43.505 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.633 12.284 -46.801 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.975 12.058 -45.177 1.00 0.00 H new ATOM 59 N GLY A 5 8.622 9.546 -42.022 1.00 0.00 N ATOM 60 CA GLY A 5 9.355 9.232 -40.762 1.00 0.00 C ATOM 61 C GLY A 5 10.839 9.024 -41.072 1.00 0.00 C ATOM 62 O GLY A 5 11.540 9.946 -41.439 1.00 0.00 O ATOM 0 H GLY A 5 8.911 9.006 -42.838 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.233 10.044 -40.046 1.00 0.00 H new ATOM 0 HA3 GLY A 5 8.940 8.336 -40.301 1.00 0.00 H new ATOM 66 N GLU A 6 11.321 7.819 -40.929 1.00 0.00 N ATOM 67 CA GLU A 6 12.760 7.549 -41.216 1.00 0.00 C ATOM 68 C GLU A 6 12.908 6.233 -41.986 1.00 0.00 C ATOM 69 O GLU A 6 12.798 5.161 -41.425 1.00 0.00 O ATOM 70 CB GLU A 6 13.425 7.445 -39.843 1.00 0.00 C ATOM 71 CG GLU A 6 14.933 7.663 -39.989 1.00 0.00 C ATOM 72 CD GLU A 6 15.658 7.022 -38.803 1.00 0.00 C ATOM 73 OE1 GLU A 6 15.443 7.471 -37.690 1.00 0.00 O ATOM 74 OE2 GLU A 6 16.415 6.093 -39.030 1.00 0.00 O ATOM 0 H GLU A 6 10.780 7.009 -40.626 1.00 0.00 H new ATOM 0 HA GLU A 6 13.212 8.328 -41.830 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.003 8.188 -39.166 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.229 6.466 -39.405 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.286 7.227 -40.924 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.155 8.729 -40.031 1.00 0.00 H new ATOM 81 N SER A 7 13.156 6.310 -43.266 1.00 0.00 N ATOM 82 CA SER A 7 13.312 5.065 -44.074 1.00 0.00 C ATOM 83 C SER A 7 14.736 4.968 -44.628 1.00 0.00 C ATOM 84 O SER A 7 14.948 4.560 -45.754 1.00 0.00 O ATOM 85 CB SER A 7 12.302 5.204 -45.212 1.00 0.00 C ATOM 86 OG SER A 7 11.037 5.568 -44.676 1.00 0.00 O ATOM 0 H SER A 7 13.257 7.181 -43.787 1.00 0.00 H new ATOM 0 HA SER A 7 13.140 4.165 -43.484 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.639 5.958 -45.923 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.221 4.264 -45.759 1.00 0.00 H new ATOM 0 HG SER A 7 10.387 5.660 -45.404 1.00 0.00 H new ATOM 92 N SER A 8 15.713 5.341 -43.845 1.00 0.00 N ATOM 93 CA SER A 8 17.124 5.272 -44.324 1.00 0.00 C ATOM 94 C SER A 8 18.068 4.993 -43.152 1.00 0.00 C ATOM 95 O SER A 8 18.543 5.900 -42.497 1.00 0.00 O ATOM 96 CB SER A 8 17.407 6.648 -44.924 1.00 0.00 C ATOM 97 OG SER A 8 18.228 6.499 -46.075 1.00 0.00 O ATOM 0 H SER A 8 15.595 5.691 -42.894 1.00 0.00 H new ATOM 0 HA SER A 8 17.274 4.473 -45.050 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.472 7.140 -45.191 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.903 7.283 -44.189 1.00 0.00 H new ATOM 0 HG SER A 8 18.410 7.380 -46.463 1.00 0.00 H new ATOM 103 N GLY A 9 18.342 3.744 -42.883 1.00 0.00 N ATOM 104 CA GLY A 9 19.254 3.404 -41.753 1.00 0.00 C ATOM 105 C GLY A 9 20.658 3.940 -42.051 1.00 0.00 C ATOM 106 O GLY A 9 20.810 4.908 -42.769 1.00 0.00 O ATOM 0 H GLY A 9 17.973 2.944 -43.398 1.00 0.00 H new ATOM 0 HA2 GLY A 9 18.878 3.835 -40.825 1.00 0.00 H new ATOM 0 HA3 GLY A 9 19.288 2.324 -41.611 1.00 0.00 H new ATOM 110 N PRO A 10 21.646 3.291 -41.486 1.00 0.00 N ATOM 111 CA PRO A 10 23.051 3.716 -41.699 1.00 0.00 C ATOM 112 C PRO A 10 23.505 3.365 -43.121 1.00 0.00 C ATOM 113 O PRO A 10 22.864 2.587 -43.799 1.00 0.00 O ATOM 114 CB PRO A 10 23.832 2.909 -40.664 1.00 0.00 C ATOM 115 CG PRO A 10 22.986 1.706 -40.393 1.00 0.00 C ATOM 116 CD PRO A 10 21.552 2.117 -40.607 1.00 0.00 C ATOM 0 HA PRO A 10 23.195 4.791 -41.590 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.813 2.624 -41.044 1.00 0.00 H new ATOM 0 HB3 PRO A 10 23.998 3.488 -39.755 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.256 0.887 -41.060 1.00 0.00 H new ATOM 0 HG3 PRO A 10 23.137 1.350 -39.374 1.00 0.00 H new ATOM 0 HD2 PRO A 10 20.972 1.318 -41.069 1.00 0.00 H new ATOM 0 HD3 PRO A 10 21.062 2.362 -39.665 1.00 0.00 H new ATOM 124 N PRO A 11 24.603 3.952 -43.529 1.00 0.00 N ATOM 125 CA PRO A 11 25.142 3.693 -44.886 1.00 0.00 C ATOM 126 C PRO A 11 25.761 2.294 -44.957 1.00 0.00 C ATOM 127 O PRO A 11 25.436 1.505 -45.822 1.00 0.00 O ATOM 128 CB PRO A 11 26.207 4.772 -45.062 1.00 0.00 C ATOM 129 CG PRO A 11 26.622 5.141 -43.673 1.00 0.00 C ATOM 130 CD PRO A 11 25.435 4.901 -42.776 1.00 0.00 C ATOM 0 HA PRO A 11 24.379 3.726 -45.664 1.00 0.00 H new ATOM 0 HB2 PRO A 11 27.053 4.400 -45.640 1.00 0.00 H new ATOM 0 HB3 PRO A 11 25.810 5.635 -45.597 1.00 0.00 H new ATOM 0 HG2 PRO A 11 27.474 4.541 -43.353 1.00 0.00 H new ATOM 0 HG3 PRO A 11 26.933 6.185 -43.629 1.00 0.00 H new ATOM 0 HD2 PRO A 11 25.739 4.488 -41.814 1.00 0.00 H new ATOM 0 HD3 PRO A 11 24.897 5.827 -42.570 1.00 0.00 H new ATOM 138 N ARG A 12 26.651 1.983 -44.053 1.00 0.00 N ATOM 139 CA ARG A 12 27.293 0.635 -44.067 1.00 0.00 C ATOM 140 C ARG A 12 26.388 -0.392 -43.368 1.00 0.00 C ATOM 141 O ARG A 12 26.169 -0.311 -42.176 1.00 0.00 O ATOM 142 CB ARG A 12 28.609 0.808 -43.299 1.00 0.00 C ATOM 143 CG ARG A 12 28.327 1.298 -41.874 1.00 0.00 C ATOM 144 CD ARG A 12 28.648 0.183 -40.874 1.00 0.00 C ATOM 145 NE ARG A 12 27.770 0.456 -39.702 1.00 0.00 N ATOM 146 CZ ARG A 12 28.285 0.916 -38.595 1.00 0.00 C ATOM 147 NH1 ARG A 12 28.731 0.089 -37.689 1.00 0.00 N ATOM 148 NH2 ARG A 12 28.355 2.204 -38.394 1.00 0.00 N ATOM 0 H ARG A 12 26.962 2.603 -43.305 1.00 0.00 H new ATOM 0 HA ARG A 12 27.462 0.270 -45.080 1.00 0.00 H new ATOM 0 HB2 ARG A 12 29.147 -0.139 -43.266 1.00 0.00 H new ATOM 0 HB3 ARG A 12 29.250 1.521 -43.817 1.00 0.00 H new ATOM 0 HG2 ARG A 12 28.929 2.180 -41.656 1.00 0.00 H new ATOM 0 HG3 ARG A 12 27.282 1.594 -41.781 1.00 0.00 H new ATOM 0 HD2 ARG A 12 28.445 -0.800 -41.299 1.00 0.00 H new ATOM 0 HD3 ARG A 12 29.701 0.197 -40.591 1.00 0.00 H new ATOM 0 HE ARG A 12 26.767 0.283 -39.765 1.00 0.00 H new ATOM 0 HH11 ARG A 12 28.677 -0.917 -37.846 1.00 0.00 H new ATOM 0 HH12 ARG A 12 29.134 0.449 -36.824 1.00 0.00 H new ATOM 0 HH21 ARG A 12 28.007 2.850 -39.102 1.00 0.00 H new ATOM 0 HH22 ARG A 12 28.758 2.564 -37.529 1.00 0.00 H new ATOM 162 N PRO A 13 25.884 -1.330 -44.135 1.00 0.00 N ATOM 163 CA PRO A 13 24.996 -2.373 -43.566 1.00 0.00 C ATOM 164 C PRO A 13 25.806 -3.369 -42.733 1.00 0.00 C ATOM 165 O PRO A 13 27.000 -3.514 -42.910 1.00 0.00 O ATOM 166 CB PRO A 13 24.401 -3.051 -44.797 1.00 0.00 C ATOM 167 CG PRO A 13 25.392 -2.810 -45.890 1.00 0.00 C ATOM 168 CD PRO A 13 26.088 -1.510 -45.579 1.00 0.00 C ATOM 0 HA PRO A 13 24.234 -1.969 -42.899 1.00 0.00 H new ATOM 0 HB2 PRO A 13 24.253 -4.117 -44.627 1.00 0.00 H new ATOM 0 HB3 PRO A 13 23.427 -2.630 -45.047 1.00 0.00 H new ATOM 0 HG2 PRO A 13 26.110 -3.628 -45.946 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.893 -2.758 -46.858 1.00 0.00 H new ATOM 0 HD2 PRO A 13 27.148 -1.556 -45.829 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.662 -0.684 -46.148 1.00 0.00 H new ATOM 176 N SER A 14 25.165 -4.058 -41.826 1.00 0.00 N ATOM 177 CA SER A 14 25.898 -5.046 -40.981 1.00 0.00 C ATOM 178 C SER A 14 24.960 -6.183 -40.566 1.00 0.00 C ATOM 179 O SER A 14 25.207 -7.339 -40.850 1.00 0.00 O ATOM 180 CB SER A 14 26.356 -4.256 -39.756 1.00 0.00 C ATOM 181 OG SER A 14 25.220 -3.732 -39.082 1.00 0.00 O ATOM 0 H SER A 14 24.166 -3.979 -41.634 1.00 0.00 H new ATOM 0 HA SER A 14 26.736 -5.501 -41.509 1.00 0.00 H new ATOM 0 HB2 SER A 14 26.925 -4.900 -39.086 1.00 0.00 H new ATOM 0 HB3 SER A 14 27.019 -3.446 -40.059 1.00 0.00 H new ATOM 0 HG SER A 14 25.511 -3.226 -38.295 1.00 0.00 H new ATOM 187 N ARG A 15 23.885 -5.863 -39.896 1.00 0.00 N ATOM 188 CA ARG A 15 22.930 -6.924 -39.460 1.00 0.00 C ATOM 189 C ARG A 15 21.642 -6.845 -40.284 1.00 0.00 C ATOM 190 O ARG A 15 21.356 -7.707 -41.092 1.00 0.00 O ATOM 191 CB ARG A 15 22.647 -6.625 -37.986 1.00 0.00 C ATOM 192 CG ARG A 15 22.891 -7.884 -37.150 1.00 0.00 C ATOM 193 CD ARG A 15 21.627 -8.746 -37.144 1.00 0.00 C ATOM 194 NE ARG A 15 22.117 -10.148 -37.250 1.00 0.00 N ATOM 195 CZ ARG A 15 21.379 -11.132 -36.815 1.00 0.00 C ATOM 196 NH1 ARG A 15 20.229 -11.383 -37.380 1.00 0.00 N ATOM 197 NH2 ARG A 15 21.789 -11.865 -35.816 1.00 0.00 N ATOM 0 H ARG A 15 23.627 -4.912 -39.632 1.00 0.00 H new ATOM 0 HA ARG A 15 23.334 -7.927 -39.599 1.00 0.00 H new ATOM 0 HB2 ARG A 15 23.289 -5.816 -37.639 1.00 0.00 H new ATOM 0 HB3 ARG A 15 21.617 -6.289 -37.864 1.00 0.00 H new ATOM 0 HG2 ARG A 15 23.728 -8.449 -37.561 1.00 0.00 H new ATOM 0 HG3 ARG A 15 23.162 -7.610 -36.130 1.00 0.00 H new ATOM 0 HD2 ARG A 15 21.052 -8.597 -36.230 1.00 0.00 H new ATOM 0 HD3 ARG A 15 20.972 -8.492 -37.978 1.00 0.00 H new ATOM 0 HE ARG A 15 23.030 -10.339 -37.663 1.00 0.00 H new ATOM 0 HH11 ARG A 15 19.908 -10.810 -38.161 1.00 0.00 H new ATOM 0 HH12 ARG A 15 19.651 -12.152 -37.041 1.00 0.00 H new ATOM 0 HH21 ARG A 15 22.687 -11.669 -35.374 1.00 0.00 H new ATOM 0 HH22 ARG A 15 21.211 -12.634 -35.477 1.00 0.00 H new ATOM 211 N GLY A 16 20.862 -5.815 -40.085 1.00 0.00 N ATOM 212 CA GLY A 16 19.592 -5.678 -40.855 1.00 0.00 C ATOM 213 C GLY A 16 18.408 -5.632 -39.885 1.00 0.00 C ATOM 214 O GLY A 16 18.558 -5.236 -38.746 1.00 0.00 O ATOM 0 H GLY A 16 21.050 -5.063 -39.422 1.00 0.00 H new ATOM 0 HA2 GLY A 16 19.617 -4.771 -41.459 1.00 0.00 H new ATOM 0 HA3 GLY A 16 19.480 -6.516 -41.543 1.00 0.00 H new ATOM 218 N PRO A 17 17.261 -6.039 -40.369 1.00 0.00 N ATOM 219 CA PRO A 17 16.040 -6.042 -39.526 1.00 0.00 C ATOM 220 C PRO A 17 16.107 -7.171 -38.493 1.00 0.00 C ATOM 221 O PRO A 17 15.902 -6.958 -37.313 1.00 0.00 O ATOM 222 CB PRO A 17 14.914 -6.286 -40.526 1.00 0.00 C ATOM 223 CG PRO A 17 15.560 -6.991 -41.676 1.00 0.00 C ATOM 224 CD PRO A 17 16.994 -6.531 -41.728 1.00 0.00 C ATOM 0 HA PRO A 17 15.908 -5.120 -38.960 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.121 -6.892 -40.087 1.00 0.00 H new ATOM 0 HB3 PRO A 17 14.459 -5.348 -40.844 1.00 0.00 H new ATOM 0 HG2 PRO A 17 15.507 -8.072 -41.545 1.00 0.00 H new ATOM 0 HG3 PRO A 17 15.046 -6.758 -42.609 1.00 0.00 H new ATOM 0 HD2 PRO A 17 17.665 -7.347 -41.996 1.00 0.00 H new ATOM 0 HD3 PRO A 17 17.134 -5.746 -42.471 1.00 0.00 H new ATOM 232 N ALA A 18 16.393 -8.372 -38.928 1.00 0.00 N ATOM 233 CA ALA A 18 16.476 -9.522 -37.976 1.00 0.00 C ATOM 234 C ALA A 18 15.206 -9.602 -37.121 1.00 0.00 C ATOM 235 O ALA A 18 14.241 -8.901 -37.359 1.00 0.00 O ATOM 236 CB ALA A 18 17.695 -9.230 -37.099 1.00 0.00 C ATOM 0 H ALA A 18 16.573 -8.607 -39.904 1.00 0.00 H new ATOM 0 HA ALA A 18 16.568 -10.476 -38.495 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.821 -10.033 -36.373 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.585 -9.163 -37.724 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.548 -8.286 -36.574 1.00 0.00 H new ATOM 242 N ALA A 19 15.201 -10.452 -36.126 1.00 0.00 N ATOM 243 CA ALA A 19 13.997 -10.584 -35.249 1.00 0.00 C ATOM 244 C ALA A 19 12.740 -10.818 -36.093 1.00 0.00 C ATOM 245 O ALA A 19 11.827 -10.015 -36.101 1.00 0.00 O ATOM 246 CB ALA A 19 13.901 -9.254 -34.498 1.00 0.00 C ATOM 0 H ALA A 19 15.981 -11.062 -35.882 1.00 0.00 H new ATOM 0 HA ALA A 19 14.079 -11.431 -34.568 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.039 -9.274 -33.832 1.00 0.00 H new ATOM 0 HB2 ALA A 19 14.808 -9.100 -33.913 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.788 -8.439 -35.213 1.00 0.00 H new ATOM 252 N ALA A 20 12.688 -11.912 -36.805 1.00 0.00 N ATOM 253 CA ALA A 20 11.491 -12.200 -37.649 1.00 0.00 C ATOM 254 C ALA A 20 10.402 -12.873 -36.809 1.00 0.00 C ATOM 255 O ALA A 20 10.384 -14.078 -36.650 1.00 0.00 O ATOM 256 CB ALA A 20 11.993 -13.150 -38.737 1.00 0.00 C ATOM 0 H ALA A 20 13.422 -12.619 -36.839 1.00 0.00 H new ATOM 0 HA ALA A 20 11.054 -11.294 -38.069 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.169 -13.410 -39.401 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.781 -12.662 -39.310 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.387 -14.056 -38.276 1.00 0.00 H new ATOM 262 N GLN A 21 9.495 -12.102 -36.270 1.00 0.00 N ATOM 263 CA GLN A 21 8.407 -12.694 -35.439 1.00 0.00 C ATOM 264 C GLN A 21 7.121 -11.878 -35.590 1.00 0.00 C ATOM 265 O GLN A 21 6.156 -12.325 -36.179 1.00 0.00 O ATOM 266 CB GLN A 21 8.922 -12.621 -34.001 1.00 0.00 C ATOM 267 CG GLN A 21 10.115 -13.566 -33.836 1.00 0.00 C ATOM 268 CD GLN A 21 10.347 -13.839 -32.350 1.00 0.00 C ATOM 269 OE1 GLN A 21 10.577 -12.927 -31.581 1.00 0.00 O ATOM 270 NE2 GLN A 21 10.296 -15.066 -31.909 1.00 0.00 N ATOM 0 H GLN A 21 9.461 -11.087 -36.370 1.00 0.00 H new ATOM 0 HA GLN A 21 8.171 -13.716 -35.736 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.218 -11.600 -33.761 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.129 -12.895 -33.305 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.927 -14.501 -34.364 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.007 -13.123 -34.279 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.103 -15.832 -32.554 1.00 0.00 H new ATOM 0 HE22 GLN A 21 10.449 -15.259 -30.919 1.00 0.00 H new ATOM 279 N GLY A 22 7.101 -10.684 -35.060 1.00 0.00 N ATOM 280 CA GLY A 22 5.879 -9.837 -35.170 1.00 0.00 C ATOM 281 C GLY A 22 4.986 -10.064 -33.949 1.00 0.00 C ATOM 282 O GLY A 22 5.084 -9.368 -32.958 1.00 0.00 O ATOM 0 H GLY A 22 7.879 -10.259 -34.555 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.158 -8.786 -35.239 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.335 -10.083 -36.082 1.00 0.00 H new ATOM 286 N SER A 23 4.117 -11.037 -34.013 1.00 0.00 N ATOM 287 CA SER A 23 3.216 -11.313 -32.856 1.00 0.00 C ATOM 288 C SER A 23 3.946 -12.158 -31.807 1.00 0.00 C ATOM 289 O SER A 23 3.717 -13.346 -31.686 1.00 0.00 O ATOM 290 CB SER A 23 2.038 -12.088 -33.445 1.00 0.00 C ATOM 291 OG SER A 23 2.505 -13.327 -33.965 1.00 0.00 O ATOM 0 H SER A 23 3.992 -11.653 -34.816 1.00 0.00 H new ATOM 0 HA SER A 23 2.892 -10.399 -32.358 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.283 -12.263 -32.678 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.562 -11.505 -34.234 1.00 0.00 H new ATOM 0 HG SER A 23 2.885 -13.864 -33.239 1.00 0.00 H new ATOM 297 N ALA A 24 4.823 -11.553 -31.052 1.00 0.00 N ATOM 298 CA ALA A 24 5.570 -12.320 -30.011 1.00 0.00 C ATOM 299 C ALA A 24 6.037 -11.381 -28.896 1.00 0.00 C ATOM 300 O ALA A 24 7.216 -11.131 -28.734 1.00 0.00 O ATOM 301 CB ALA A 24 6.768 -12.921 -30.747 1.00 0.00 C ATOM 0 H ALA A 24 5.055 -10.561 -31.110 1.00 0.00 H new ATOM 0 HA ALA A 24 4.955 -13.087 -29.541 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.370 -13.502 -30.049 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.415 -13.570 -31.549 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.375 -12.120 -31.169 1.00 0.00 H new ATOM 307 N ALA A 25 5.121 -10.859 -28.125 1.00 0.00 N ATOM 308 CA ALA A 25 5.509 -9.936 -27.019 1.00 0.00 C ATOM 309 C ALA A 25 4.585 -10.136 -25.814 1.00 0.00 C ATOM 310 O ALA A 25 3.406 -10.391 -25.962 1.00 0.00 O ATOM 311 CB ALA A 25 5.339 -8.532 -27.597 1.00 0.00 C ATOM 0 H ALA A 25 4.120 -11.032 -28.213 1.00 0.00 H new ATOM 0 HA ALA A 25 6.527 -10.113 -26.671 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.606 -7.793 -26.842 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.988 -8.415 -28.465 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.302 -8.385 -27.898 1.00 0.00 H new ATOM 317 N ALA A 26 5.113 -10.024 -24.625 1.00 0.00 N ATOM 318 CA ALA A 26 4.266 -10.209 -23.411 1.00 0.00 C ATOM 319 C ALA A 26 4.978 -9.647 -22.174 1.00 0.00 C ATOM 320 O ALA A 26 5.618 -10.378 -21.445 1.00 0.00 O ATOM 321 CB ALA A 26 4.082 -11.721 -23.282 1.00 0.00 C ATOM 0 H ALA A 26 6.094 -9.812 -24.442 1.00 0.00 H new ATOM 0 HA ALA A 26 3.312 -9.687 -23.492 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.467 -11.940 -22.409 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.592 -12.105 -24.176 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.056 -12.198 -23.169 1.00 0.00 H new ATOM 327 N PRO A 27 4.841 -8.359 -21.977 1.00 0.00 N ATOM 328 CA PRO A 27 5.481 -7.700 -20.813 1.00 0.00 C ATOM 329 C PRO A 27 4.742 -8.064 -19.521 1.00 0.00 C ATOM 330 O PRO A 27 3.668 -7.565 -19.248 1.00 0.00 O ATOM 331 CB PRO A 27 5.336 -6.212 -21.119 1.00 0.00 C ATOM 332 CG PRO A 27 4.157 -6.116 -22.034 1.00 0.00 C ATOM 333 CD PRO A 27 4.088 -7.409 -22.806 1.00 0.00 C ATOM 0 HA PRO A 27 6.518 -8.001 -20.667 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.176 -5.636 -20.208 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.235 -5.817 -21.592 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.240 -5.957 -21.466 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.263 -5.268 -22.711 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.057 -7.734 -22.949 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.530 -7.306 -23.797 1.00 0.00 H new ATOM 341 N ALA A 28 5.311 -8.931 -18.726 1.00 0.00 N ATOM 342 CA ALA A 28 4.643 -9.329 -17.453 1.00 0.00 C ATOM 343 C ALA A 28 5.495 -8.910 -16.252 1.00 0.00 C ATOM 344 O ALA A 28 5.813 -9.711 -15.395 1.00 0.00 O ATOM 345 CB ALA A 28 4.531 -10.852 -17.526 1.00 0.00 C ATOM 0 H ALA A 28 6.209 -9.381 -18.903 1.00 0.00 H new ATOM 0 HA ALA A 28 3.670 -8.853 -17.331 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.048 -11.225 -16.623 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.938 -11.132 -18.397 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.527 -11.286 -17.611 1.00 0.00 H new ATOM 351 N GLU A 29 5.863 -7.658 -16.182 1.00 0.00 N ATOM 352 CA GLU A 29 6.694 -7.184 -15.036 1.00 0.00 C ATOM 353 C GLU A 29 5.926 -6.132 -14.227 1.00 0.00 C ATOM 354 O GLU A 29 6.017 -4.952 -14.507 1.00 0.00 O ATOM 355 CB GLU A 29 7.938 -6.567 -15.675 1.00 0.00 C ATOM 356 CG GLU A 29 9.041 -6.440 -14.623 1.00 0.00 C ATOM 357 CD GLU A 29 10.404 -6.383 -15.316 1.00 0.00 C ATOM 358 OE1 GLU A 29 10.980 -7.436 -15.535 1.00 0.00 O ATOM 359 OE2 GLU A 29 10.850 -5.286 -15.615 1.00 0.00 O ATOM 0 H GLU A 29 5.624 -6.943 -16.869 1.00 0.00 H new ATOM 0 HA GLU A 29 6.949 -7.991 -14.349 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.280 -7.187 -16.503 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.700 -5.587 -16.088 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.887 -5.541 -14.026 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.004 -7.287 -13.938 1.00 0.00 H new ATOM 366 N PRO A 30 5.193 -6.592 -13.246 1.00 0.00 N ATOM 367 CA PRO A 30 4.404 -5.672 -12.392 1.00 0.00 C ATOM 368 C PRO A 30 5.325 -4.875 -11.467 1.00 0.00 C ATOM 369 O PRO A 30 5.819 -3.831 -11.846 1.00 0.00 O ATOM 370 CB PRO A 30 3.482 -6.607 -11.610 1.00 0.00 C ATOM 371 CG PRO A 30 4.193 -7.923 -11.589 1.00 0.00 C ATOM 372 CD PRO A 30 5.028 -7.996 -12.843 1.00 0.00 C ATOM 0 HA PRO A 30 3.847 -4.926 -12.959 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.308 -6.236 -10.600 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.507 -6.693 -12.090 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.821 -8.007 -10.702 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.479 -8.746 -11.553 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.990 -8.472 -12.654 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.531 -8.578 -13.619 1.00 0.00 H new ATOM 380 N LYS A 31 5.551 -5.333 -10.255 1.00 0.00 N ATOM 381 CA LYS A 31 6.423 -4.557 -9.323 1.00 0.00 C ATOM 382 C LYS A 31 6.030 -3.085 -9.425 1.00 0.00 C ATOM 383 O LYS A 31 6.854 -2.211 -9.612 1.00 0.00 O ATOM 384 CB LYS A 31 7.850 -4.782 -9.827 1.00 0.00 C ATOM 385 CG LYS A 31 8.345 -6.156 -9.366 1.00 0.00 C ATOM 386 CD LYS A 31 9.851 -6.093 -9.097 1.00 0.00 C ATOM 387 CE LYS A 31 10.522 -7.356 -9.643 1.00 0.00 C ATOM 388 NZ LYS A 31 11.119 -6.943 -10.944 1.00 0.00 N ATOM 0 H LYS A 31 5.172 -6.202 -9.878 1.00 0.00 H new ATOM 0 HA LYS A 31 6.329 -4.861 -8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.876 -4.721 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.508 -4.001 -9.447 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.816 -6.461 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.132 -6.906 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.279 -5.208 -9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.036 -6.004 -8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.285 -7.725 -8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.799 -8.160 -9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.598 -7.757 -11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.368 -6.603 -11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.808 -6.181 -10.783 1.00 0.00 H new ATOM 402 N ILE A 32 4.754 -2.823 -9.352 1.00 0.00 N ATOM 403 CA ILE A 32 4.261 -1.429 -9.500 1.00 0.00 C ATOM 404 C ILE A 32 4.907 -0.508 -8.455 1.00 0.00 C ATOM 405 O ILE A 32 4.718 -0.674 -7.267 1.00 0.00 O ATOM 406 CB ILE A 32 2.742 -1.525 -9.287 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.072 -1.972 -10.591 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.176 -0.161 -8.877 1.00 0.00 C ATOM 409 CD1 ILE A 32 2.207 -3.487 -10.748 1.00 0.00 C ATOM 0 H ILE A 32 4.028 -3.522 -9.195 1.00 0.00 H new ATOM 0 HA ILE A 32 4.511 -1.005 -10.473 1.00 0.00 H new ATOM 0 HB ILE A 32 2.543 -2.249 -8.497 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.019 -1.690 -10.585 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.533 -1.466 -11.440 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.099 -0.243 -8.729 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.646 0.164 -7.949 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.380 0.568 -9.661 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.729 -3.801 -11.676 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.263 -3.758 -10.774 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.725 -3.984 -9.906 1.00 0.00 H new ATOM 421 N ILE A 33 5.661 0.469 -8.896 1.00 0.00 N ATOM 422 CA ILE A 33 6.309 1.407 -7.930 1.00 0.00 C ATOM 423 C ILE A 33 5.331 2.526 -7.561 1.00 0.00 C ATOM 424 O ILE A 33 4.398 2.810 -8.288 1.00 0.00 O ATOM 425 CB ILE A 33 7.543 1.966 -8.654 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.110 2.871 -9.816 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.385 0.804 -9.191 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.340 3.304 -10.617 1.00 0.00 C ATOM 0 H ILE A 33 5.855 0.656 -9.880 1.00 0.00 H new ATOM 0 HA ILE A 33 6.594 0.912 -7.001 1.00 0.00 H new ATOM 0 HB ILE A 33 8.134 2.554 -7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.411 2.340 -10.462 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.587 3.747 -9.432 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.262 1.197 -9.706 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.704 0.172 -8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.789 0.215 -9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.030 3.946 -11.441 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.023 3.852 -9.967 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.845 2.423 -11.014 1.00 0.00 H new ATOM 440 N LYS A 34 5.532 3.161 -6.437 1.00 0.00 N ATOM 441 CA LYS A 34 4.609 4.258 -6.025 1.00 0.00 C ATOM 442 C LYS A 34 5.130 5.599 -6.542 1.00 0.00 C ATOM 443 O LYS A 34 6.319 5.835 -6.586 1.00 0.00 O ATOM 444 CB LYS A 34 4.618 4.231 -4.496 1.00 0.00 C ATOM 445 CG LYS A 34 3.591 3.214 -3.996 1.00 0.00 C ATOM 446 CD LYS A 34 3.646 3.143 -2.468 1.00 0.00 C ATOM 447 CE LYS A 34 4.638 2.059 -2.038 1.00 0.00 C ATOM 448 NZ LYS A 34 3.833 1.091 -1.243 1.00 0.00 N ATOM 0 H LYS A 34 6.294 2.968 -5.787 1.00 0.00 H new ATOM 0 HA LYS A 34 3.604 4.129 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.612 3.969 -4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.386 5.221 -4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.591 3.501 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.797 2.233 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.947 4.108 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.656 2.923 -2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.094 1.576 -2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.449 2.480 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.446 0.318 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.417 1.577 -0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.073 0.701 -1.837 1.00 0.00 H new ATOM 462 N VAL A 35 4.250 6.477 -6.940 1.00 0.00 N ATOM 463 CA VAL A 35 4.701 7.801 -7.459 1.00 0.00 C ATOM 464 C VAL A 35 3.951 8.934 -6.758 1.00 0.00 C ATOM 465 O VAL A 35 2.756 9.092 -6.918 1.00 0.00 O ATOM 466 CB VAL A 35 4.360 7.775 -8.952 1.00 0.00 C ATOM 467 CG1 VAL A 35 4.789 9.094 -9.603 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.096 6.612 -9.623 1.00 0.00 C ATOM 0 H VAL A 35 3.240 6.336 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 35 5.763 7.972 -7.283 1.00 0.00 H new ATOM 0 HB VAL A 35 3.285 7.646 -9.074 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.545 9.072 -10.665 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.264 9.922 -9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.864 9.228 -9.481 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.854 6.593 -10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.171 6.741 -9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.788 5.673 -9.164 1.00 0.00 H new ATOM 478 N THR A 36 4.645 9.730 -5.989 1.00 0.00 N ATOM 479 CA THR A 36 3.974 10.860 -5.285 1.00 0.00 C ATOM 480 C THR A 36 3.916 12.078 -6.207 1.00 0.00 C ATOM 481 O THR A 36 4.876 12.811 -6.339 1.00 0.00 O ATOM 482 CB THR A 36 4.847 11.149 -4.063 1.00 0.00 C ATOM 483 OG1 THR A 36 5.330 9.924 -3.525 1.00 0.00 O ATOM 484 CG2 THR A 36 4.021 11.881 -3.005 1.00 0.00 C ATOM 0 H THR A 36 5.647 9.646 -5.818 1.00 0.00 H new ATOM 0 HA THR A 36 2.950 10.623 -4.997 1.00 0.00 H new ATOM 0 HB THR A 36 5.690 11.773 -4.359 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.304 9.885 -3.623 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.644 12.086 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.652 12.820 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.177 11.259 -2.708 1.00 0.00 H new ATOM 492 N VAL A 37 2.800 12.297 -6.849 1.00 0.00 N ATOM 493 CA VAL A 37 2.687 13.465 -7.771 1.00 0.00 C ATOM 494 C VAL A 37 2.075 14.660 -7.038 1.00 0.00 C ATOM 495 O VAL A 37 1.026 14.560 -6.432 1.00 0.00 O ATOM 496 CB VAL A 37 1.764 12.997 -8.898 1.00 0.00 C ATOM 497 CG1 VAL A 37 1.616 14.114 -9.933 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.363 11.759 -9.570 1.00 0.00 C ATOM 0 H VAL A 37 1.963 11.719 -6.775 1.00 0.00 H new ATOM 0 HA VAL A 37 3.658 13.787 -8.148 1.00 0.00 H new ATOM 0 HB VAL A 37 0.786 12.750 -8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.959 13.781 -10.736 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.189 14.997 -9.457 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.595 14.361 -10.344 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.705 11.426 -10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.341 12.006 -9.982 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.470 10.962 -8.835 1.00 0.00 H new ATOM 508 N LYS A 38 2.723 15.792 -7.095 1.00 0.00 N ATOM 509 CA LYS A 38 2.182 17.000 -6.409 1.00 0.00 C ATOM 510 C LYS A 38 1.675 18.002 -7.446 1.00 0.00 C ATOM 511 O LYS A 38 2.410 18.441 -8.310 1.00 0.00 O ATOM 512 CB LYS A 38 3.368 17.580 -5.637 1.00 0.00 C ATOM 513 CG LYS A 38 3.345 17.067 -4.194 1.00 0.00 C ATOM 514 CD LYS A 38 2.776 18.148 -3.269 1.00 0.00 C ATOM 515 CE LYS A 38 3.671 18.290 -2.036 1.00 0.00 C ATOM 516 NZ LYS A 38 4.701 19.294 -2.424 1.00 0.00 N ATOM 0 H LYS A 38 3.605 15.932 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 38 1.345 16.767 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.303 17.295 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.323 18.669 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.739 16.164 -4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.353 16.798 -3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.715 19.099 -3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.762 17.886 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.100 18.624 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.129 17.338 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.354 19.446 -1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.233 18.946 -3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.236 20.192 -2.667 1.00 0.00 H new ATOM 530 N THR A 39 0.424 18.368 -7.366 1.00 0.00 N ATOM 531 CA THR A 39 -0.135 19.342 -8.347 1.00 0.00 C ATOM 532 C THR A 39 -0.646 20.587 -7.614 1.00 0.00 C ATOM 533 O THR A 39 -0.823 20.563 -6.412 1.00 0.00 O ATOM 534 CB THR A 39 -1.291 18.598 -9.022 1.00 0.00 C ATOM 535 OG1 THR A 39 -2.172 18.096 -8.027 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.740 17.436 -9.854 1.00 0.00 C ATOM 0 H THR A 39 -0.235 18.034 -6.663 1.00 0.00 H new ATOM 0 HA THR A 39 0.607 19.682 -9.070 1.00 0.00 H new ATOM 0 HB THR A 39 -1.831 19.283 -9.676 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.983 17.749 -8.453 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.565 16.908 -10.333 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.065 17.823 -10.617 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.198 16.749 -9.205 1.00 0.00 H new ATOM 544 N PRO A 40 -0.867 21.641 -8.358 1.00 0.00 N ATOM 545 CA PRO A 40 -1.362 22.904 -7.753 1.00 0.00 C ATOM 546 C PRO A 40 -2.824 22.752 -7.317 1.00 0.00 C ATOM 547 O PRO A 40 -3.699 23.453 -7.788 1.00 0.00 O ATOM 548 CB PRO A 40 -1.231 23.920 -8.884 1.00 0.00 C ATOM 549 CG PRO A 40 -1.274 23.109 -10.139 1.00 0.00 C ATOM 550 CD PRO A 40 -0.683 21.763 -9.811 1.00 0.00 C ATOM 0 HA PRO A 40 -0.810 23.197 -6.860 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.042 24.648 -8.857 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.298 24.479 -8.807 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.299 23.004 -10.496 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.708 23.596 -10.933 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.192 20.962 -10.347 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.370 21.711 -10.086 1.00 0.00 H new ATOM 558 N LYS A 41 -3.092 21.841 -6.419 1.00 0.00 N ATOM 559 CA LYS A 41 -4.492 21.635 -5.943 1.00 0.00 C ATOM 560 C LYS A 41 -4.512 20.600 -4.815 1.00 0.00 C ATOM 561 O LYS A 41 -5.191 20.762 -3.821 1.00 0.00 O ATOM 562 CB LYS A 41 -5.263 21.115 -7.158 1.00 0.00 C ATOM 563 CG LYS A 41 -6.725 21.550 -7.061 1.00 0.00 C ATOM 564 CD LYS A 41 -6.842 23.033 -7.419 1.00 0.00 C ATOM 565 CE LYS A 41 -8.306 23.469 -7.317 1.00 0.00 C ATOM 566 NZ LYS A 41 -8.252 24.904 -6.919 1.00 0.00 N ATOM 0 H LYS A 41 -2.398 21.227 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.931 22.552 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.818 21.500 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.199 20.028 -7.204 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.339 20.953 -7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.100 21.378 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.226 23.630 -6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.470 23.205 -8.429 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.823 23.342 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.845 22.874 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.219 25.276 -6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.760 24.993 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.739 25.446 -7.643 1.00 0.00 H new ATOM 580 N GLU A 42 -3.770 19.533 -4.967 1.00 0.00 N ATOM 581 CA GLU A 42 -3.741 18.481 -3.906 1.00 0.00 C ATOM 582 C GLU A 42 -2.620 17.477 -4.191 1.00 0.00 C ATOM 583 O GLU A 42 -1.943 17.555 -5.199 1.00 0.00 O ATOM 584 CB GLU A 42 -5.109 17.797 -3.986 1.00 0.00 C ATOM 585 CG GLU A 42 -5.801 17.871 -2.624 1.00 0.00 C ATOM 586 CD GLU A 42 -5.467 16.619 -1.812 1.00 0.00 C ATOM 587 OE1 GLU A 42 -4.310 16.456 -1.460 1.00 0.00 O ATOM 588 OE2 GLU A 42 -6.373 15.842 -1.557 1.00 0.00 O ATOM 0 H GLU A 42 -3.183 19.345 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.552 18.897 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.725 18.280 -4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.989 16.757 -4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.476 18.762 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.880 17.954 -2.757 1.00 0.00 H new ATOM 595 N LYS A 43 -2.422 16.531 -3.310 1.00 0.00 N ATOM 596 CA LYS A 43 -1.349 15.516 -3.526 1.00 0.00 C ATOM 597 C LYS A 43 -1.973 14.147 -3.808 1.00 0.00 C ATOM 598 O LYS A 43 -2.793 13.661 -3.052 1.00 0.00 O ATOM 599 CB LYS A 43 -0.563 15.487 -2.214 1.00 0.00 C ATOM 600 CG LYS A 43 0.731 14.690 -2.408 1.00 0.00 C ATOM 601 CD LYS A 43 0.947 13.760 -1.209 1.00 0.00 C ATOM 602 CE LYS A 43 2.431 13.749 -0.826 1.00 0.00 C ATOM 603 NZ LYS A 43 2.473 14.271 0.568 1.00 0.00 N ATOM 0 H LYS A 43 -2.958 16.418 -2.449 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.712 15.759 -4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.332 16.503 -1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.166 15.035 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.677 14.107 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.577 15.370 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.346 14.095 -0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.617 12.751 -1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.846 12.743 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.017 14.374 -1.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.458 14.293 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.078 15.233 0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.912 13.652 1.188 1.00 0.00 H new ATOM 617 N GLU A 44 -1.595 13.521 -4.891 1.00 0.00 N ATOM 618 CA GLU A 44 -2.170 12.185 -5.220 1.00 0.00 C ATOM 619 C GLU A 44 -1.068 11.220 -5.665 1.00 0.00 C ATOM 620 O GLU A 44 -0.252 11.540 -6.507 1.00 0.00 O ATOM 621 CB GLU A 44 -3.144 12.447 -6.370 1.00 0.00 C ATOM 622 CG GLU A 44 -4.269 13.367 -5.890 1.00 0.00 C ATOM 623 CD GLU A 44 -5.593 12.929 -6.519 1.00 0.00 C ATOM 624 OE1 GLU A 44 -5.575 12.532 -7.673 1.00 0.00 O ATOM 625 OE2 GLU A 44 -6.602 12.997 -5.837 1.00 0.00 O ATOM 0 H GLU A 44 -0.913 13.877 -5.561 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.660 11.728 -4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.618 12.905 -7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.559 11.506 -6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.342 13.332 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.049 14.399 -6.162 1.00 0.00 H new ATOM 632 N GLU A 45 -1.044 10.038 -5.108 1.00 0.00 N ATOM 633 CA GLU A 45 -0.002 9.044 -5.501 1.00 0.00 C ATOM 634 C GLU A 45 -0.486 8.233 -6.705 1.00 0.00 C ATOM 635 O GLU A 45 -1.667 7.984 -6.860 1.00 0.00 O ATOM 636 CB GLU A 45 0.163 8.141 -4.278 1.00 0.00 C ATOM 637 CG GLU A 45 1.200 8.745 -3.330 1.00 0.00 C ATOM 638 CD GLU A 45 1.878 7.628 -2.535 1.00 0.00 C ATOM 639 OE1 GLU A 45 1.192 6.972 -1.769 1.00 0.00 O ATOM 640 OE2 GLU A 45 3.072 7.446 -2.707 1.00 0.00 O ATOM 0 H GLU A 45 -1.702 9.718 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 45 0.938 9.515 -5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.792 8.029 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.477 7.144 -4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.944 9.305 -3.897 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.720 9.449 -2.651 1.00 0.00 H new ATOM 647 N PHE A 46 0.410 7.820 -7.562 1.00 0.00 N ATOM 648 CA PHE A 46 -0.011 7.028 -8.751 1.00 0.00 C ATOM 649 C PHE A 46 0.701 5.676 -8.766 1.00 0.00 C ATOM 650 O PHE A 46 1.849 5.561 -8.380 1.00 0.00 O ATOM 651 CB PHE A 46 0.413 7.867 -9.958 1.00 0.00 C ATOM 652 CG PHE A 46 -0.773 8.646 -10.476 1.00 0.00 C ATOM 653 CD1 PHE A 46 -1.173 9.824 -9.832 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.472 8.190 -11.600 1.00 0.00 C ATOM 655 CE1 PHE A 46 -2.271 10.545 -10.314 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.571 8.912 -12.081 1.00 0.00 C ATOM 657 CZ PHE A 46 -2.970 10.089 -11.438 1.00 0.00 C ATOM 0 H PHE A 46 1.412 7.997 -7.489 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.082 6.824 -8.751 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.214 8.550 -9.675 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.807 7.221 -10.742 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.634 10.175 -8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.164 7.282 -12.096 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.579 11.454 -9.819 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.111 8.561 -12.948 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.818 10.646 -11.809 1.00 0.00 H new ATOM 667 N ALA A 47 0.031 4.653 -9.223 1.00 0.00 N ATOM 668 CA ALA A 47 0.665 3.307 -9.280 1.00 0.00 C ATOM 669 C ALA A 47 1.132 3.036 -10.709 1.00 0.00 C ATOM 670 O ALA A 47 0.405 3.258 -11.656 1.00 0.00 O ATOM 671 CB ALA A 47 -0.438 2.329 -8.877 1.00 0.00 C ATOM 0 H ALA A 47 -0.931 4.693 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 47 1.533 3.218 -8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.047 1.312 -8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.785 2.566 -7.871 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.270 2.410 -9.577 1.00 0.00 H new ATOM 677 N VAL A 48 2.337 2.565 -10.877 1.00 0.00 N ATOM 678 CA VAL A 48 2.833 2.293 -12.247 1.00 0.00 C ATOM 679 C VAL A 48 3.706 1.042 -12.216 1.00 0.00 C ATOM 680 O VAL A 48 4.415 0.817 -11.256 1.00 0.00 O ATOM 681 CB VAL A 48 3.641 3.539 -12.624 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.723 4.767 -12.584 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.789 3.736 -11.627 1.00 0.00 C ATOM 0 H VAL A 48 2.995 2.359 -10.125 1.00 0.00 H new ATOM 0 HA VAL A 48 2.040 2.110 -12.972 1.00 0.00 H new ATOM 0 HB VAL A 48 4.051 3.413 -13.626 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.293 5.657 -12.852 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.906 4.633 -13.292 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.317 4.885 -11.579 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.360 4.623 -11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.382 3.861 -10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.442 2.864 -11.647 1.00 0.00 H new ATOM 693 N PRO A 49 3.619 0.252 -13.251 1.00 0.00 N ATOM 694 CA PRO A 49 4.404 -1.000 -13.302 1.00 0.00 C ATOM 695 C PRO A 49 5.898 -0.712 -13.425 1.00 0.00 C ATOM 696 O PRO A 49 6.336 0.027 -14.283 1.00 0.00 O ATOM 697 CB PRO A 49 3.873 -1.714 -14.542 1.00 0.00 C ATOM 698 CG PRO A 49 3.312 -0.625 -15.397 1.00 0.00 C ATOM 699 CD PRO A 49 2.805 0.441 -14.460 1.00 0.00 C ATOM 0 HA PRO A 49 4.299 -1.598 -12.397 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.667 -2.253 -15.059 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.108 -2.446 -14.281 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.075 -0.224 -16.063 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.506 -1.003 -16.026 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.935 1.439 -14.879 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.742 0.319 -14.251 1.00 0.00 H new ATOM 707 N GLU A 50 6.673 -1.303 -12.554 1.00 0.00 N ATOM 708 CA GLU A 50 8.163 -1.113 -12.563 1.00 0.00 C ATOM 709 C GLU A 50 8.728 -1.052 -13.992 1.00 0.00 C ATOM 710 O GLU A 50 9.775 -0.487 -14.221 1.00 0.00 O ATOM 711 CB GLU A 50 8.715 -2.342 -11.841 1.00 0.00 C ATOM 712 CG GLU A 50 9.757 -1.911 -10.808 1.00 0.00 C ATOM 713 CD GLU A 50 11.157 -2.026 -11.413 1.00 0.00 C ATOM 714 OE1 GLU A 50 11.720 -3.106 -11.353 1.00 0.00 O ATOM 715 OE2 GLU A 50 11.643 -1.030 -11.924 1.00 0.00 O ATOM 0 H GLU A 50 6.333 -1.923 -11.819 1.00 0.00 H new ATOM 0 HA GLU A 50 8.441 -0.173 -12.087 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.905 -2.881 -11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.164 -3.027 -12.560 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.569 -0.884 -10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.682 -2.536 -9.918 1.00 0.00 H new ATOM 722 N ASN A 51 8.060 -1.634 -14.950 1.00 0.00 N ATOM 723 CA ASN A 51 8.585 -1.591 -16.345 1.00 0.00 C ATOM 724 C ASN A 51 7.659 -0.759 -17.238 1.00 0.00 C ATOM 725 O ASN A 51 7.106 -1.247 -18.204 1.00 0.00 O ATOM 726 CB ASN A 51 8.613 -3.049 -16.806 1.00 0.00 C ATOM 727 CG ASN A 51 9.337 -3.146 -18.150 1.00 0.00 C ATOM 728 OD1 ASN A 51 10.538 -2.977 -18.221 1.00 0.00 O ATOM 729 ND2 ASN A 51 8.652 -3.415 -19.228 1.00 0.00 N ATOM 0 H ASN A 51 7.179 -2.134 -14.829 1.00 0.00 H new ATOM 0 HA ASN A 51 9.571 -1.130 -16.399 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.118 -3.667 -16.063 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.597 -3.431 -16.900 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.125 -3.483 -20.129 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.644 -3.557 -19.169 1.00 0.00 H new ATOM 736 N SER A 52 7.496 0.499 -16.923 1.00 0.00 N ATOM 737 CA SER A 52 6.615 1.374 -17.752 1.00 0.00 C ATOM 738 C SER A 52 7.419 2.560 -18.297 1.00 0.00 C ATOM 739 O SER A 52 8.621 2.482 -18.459 1.00 0.00 O ATOM 740 CB SER A 52 5.523 1.856 -16.798 1.00 0.00 C ATOM 741 OG SER A 52 4.273 1.848 -17.474 1.00 0.00 O ATOM 0 H SER A 52 7.936 0.959 -16.126 1.00 0.00 H new ATOM 0 HA SER A 52 6.198 0.849 -18.612 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.479 1.211 -15.921 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.751 2.861 -16.443 1.00 0.00 H new ATOM 0 HG SER A 52 3.570 2.155 -16.865 1.00 0.00 H new ATOM 747 N SER A 53 6.766 3.656 -18.583 1.00 0.00 N ATOM 748 CA SER A 53 7.495 4.844 -19.118 1.00 0.00 C ATOM 749 C SER A 53 6.659 6.111 -18.920 1.00 0.00 C ATOM 750 O SER A 53 5.461 6.048 -18.721 1.00 0.00 O ATOM 751 CB SER A 53 7.682 4.554 -20.606 1.00 0.00 C ATOM 752 OG SER A 53 8.756 3.638 -20.773 1.00 0.00 O ATOM 0 H SER A 53 5.760 3.780 -18.469 1.00 0.00 H new ATOM 0 HA SER A 53 8.446 5.009 -18.611 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.766 4.139 -21.026 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.889 5.478 -21.145 1.00 0.00 H new ATOM 0 HG SER A 53 9.085 3.356 -19.894 1.00 0.00 H new ATOM 758 N VAL A 54 7.279 7.261 -18.974 1.00 0.00 N ATOM 759 CA VAL A 54 6.514 8.529 -18.790 1.00 0.00 C ATOM 760 C VAL A 54 5.449 8.674 -19.876 1.00 0.00 C ATOM 761 O VAL A 54 4.388 9.195 -19.634 1.00 0.00 O ATOM 762 CB VAL A 54 7.537 9.656 -18.871 1.00 0.00 C ATOM 763 CG1 VAL A 54 6.826 10.999 -18.665 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.590 9.461 -17.775 1.00 0.00 C ATOM 0 H VAL A 54 8.279 7.377 -19.137 1.00 0.00 H new ATOM 0 HA VAL A 54 5.990 8.546 -17.835 1.00 0.00 H new ATOM 0 HB VAL A 54 8.021 9.646 -19.847 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.554 11.808 -18.722 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.072 11.134 -19.440 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.347 11.010 -17.686 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.324 10.265 -17.829 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.106 9.476 -16.799 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.090 8.503 -17.917 1.00 0.00 H new ATOM 774 N GLN A 55 5.715 8.230 -21.074 1.00 0.00 N ATOM 775 CA GLN A 55 4.688 8.366 -22.153 1.00 0.00 C ATOM 776 C GLN A 55 3.330 7.855 -21.648 1.00 0.00 C ATOM 777 O GLN A 55 2.311 8.502 -21.806 1.00 0.00 O ATOM 778 CB GLN A 55 5.198 7.493 -23.300 1.00 0.00 C ATOM 779 CG GLN A 55 6.080 8.329 -24.227 1.00 0.00 C ATOM 780 CD GLN A 55 6.751 7.415 -25.255 1.00 0.00 C ATOM 781 OE1 GLN A 55 7.075 6.283 -24.958 1.00 0.00 O ATOM 782 NE2 GLN A 55 6.972 7.862 -26.461 1.00 0.00 N ATOM 0 H GLN A 55 6.588 7.783 -21.353 1.00 0.00 H new ATOM 0 HA GLN A 55 4.546 9.401 -22.465 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.765 6.650 -22.905 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.357 7.079 -23.857 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.480 9.085 -24.734 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.836 8.858 -23.647 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.700 8.813 -26.710 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.417 7.260 -27.154 1.00 0.00 H new ATOM 791 N GLN A 56 3.316 6.707 -21.025 1.00 0.00 N ATOM 792 CA GLN A 56 2.035 6.155 -20.495 1.00 0.00 C ATOM 793 C GLN A 56 1.652 6.858 -19.186 1.00 0.00 C ATOM 794 O GLN A 56 0.512 7.227 -18.981 1.00 0.00 O ATOM 795 CB GLN A 56 2.317 4.673 -20.245 1.00 0.00 C ATOM 796 CG GLN A 56 1.036 3.981 -19.775 1.00 0.00 C ATOM 797 CD GLN A 56 1.027 2.533 -20.268 1.00 0.00 C ATOM 798 OE1 GLN A 56 2.037 1.859 -20.228 1.00 0.00 O ATOM 799 NE2 GLN A 56 -0.079 2.022 -20.735 1.00 0.00 N ATOM 0 H GLN A 56 4.138 6.126 -20.860 1.00 0.00 H new ATOM 0 HA GLN A 56 1.206 6.303 -21.187 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.683 4.203 -21.158 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.099 4.563 -19.494 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.975 4.006 -18.687 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.163 4.511 -20.156 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.927 2.587 -20.769 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.095 1.057 -21.066 1.00 0.00 H new ATOM 808 N PHE A 57 2.596 7.043 -18.300 1.00 0.00 N ATOM 809 CA PHE A 57 2.288 7.719 -17.002 1.00 0.00 C ATOM 810 C PHE A 57 1.842 9.166 -17.248 1.00 0.00 C ATOM 811 O PHE A 57 0.816 9.601 -16.764 1.00 0.00 O ATOM 812 CB PHE A 57 3.605 7.685 -16.220 1.00 0.00 C ATOM 813 CG PHE A 57 3.457 8.460 -14.931 1.00 0.00 C ATOM 814 CD1 PHE A 57 2.622 7.981 -13.917 1.00 0.00 C ATOM 815 CD2 PHE A 57 4.158 9.661 -14.754 1.00 0.00 C ATOM 816 CE1 PHE A 57 2.486 8.701 -12.723 1.00 0.00 C ATOM 817 CE2 PHE A 57 4.022 10.380 -13.561 1.00 0.00 C ATOM 818 CZ PHE A 57 3.186 9.900 -12.545 1.00 0.00 C ATOM 0 H PHE A 57 3.567 6.756 -18.418 1.00 0.00 H new ATOM 0 HA PHE A 57 1.479 7.229 -16.461 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.884 6.654 -16.005 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.407 8.113 -16.822 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.082 7.056 -14.054 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.802 10.031 -15.538 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.841 8.331 -11.940 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.562 11.305 -13.424 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.081 10.455 -11.624 1.00 0.00 H new ATOM 828 N LYS A 58 2.611 9.911 -17.996 1.00 0.00 N ATOM 829 CA LYS A 58 2.243 11.329 -18.276 1.00 0.00 C ATOM 830 C LYS A 58 0.863 11.392 -18.943 1.00 0.00 C ATOM 831 O LYS A 58 0.115 12.332 -18.754 1.00 0.00 O ATOM 832 CB LYS A 58 3.337 11.863 -19.215 1.00 0.00 C ATOM 833 CG LYS A 58 3.136 11.333 -20.641 1.00 0.00 C ATOM 834 CD LYS A 58 2.222 12.285 -21.417 1.00 0.00 C ATOM 835 CE LYS A 58 2.658 12.333 -22.884 1.00 0.00 C ATOM 836 NZ LYS A 58 3.440 13.594 -23.010 1.00 0.00 N ATOM 0 H LYS A 58 3.481 9.597 -18.426 1.00 0.00 H new ATOM 0 HA LYS A 58 2.181 11.926 -17.366 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.318 12.953 -19.221 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.318 11.564 -18.846 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.098 11.244 -21.146 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.698 10.335 -20.611 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.187 11.951 -21.345 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.266 13.283 -20.981 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.263 11.465 -23.145 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.797 12.334 -23.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.774 13.699 -23.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.836 14.403 -22.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.257 13.562 -22.367 1.00 0.00 H new ATOM 850 N GLU A 59 0.518 10.392 -19.715 1.00 0.00 N ATOM 851 CA GLU A 59 -0.814 10.392 -20.385 1.00 0.00 C ATOM 852 C GLU A 59 -1.890 9.889 -19.418 1.00 0.00 C ATOM 853 O GLU A 59 -3.059 10.186 -19.568 1.00 0.00 O ATOM 854 CB GLU A 59 -0.665 9.434 -21.569 1.00 0.00 C ATOM 855 CG GLU A 59 -1.677 9.800 -22.659 1.00 0.00 C ATOM 856 CD GLU A 59 -2.746 8.709 -22.755 1.00 0.00 C ATOM 857 OE1 GLU A 59 -3.336 8.394 -21.734 1.00 0.00 O ATOM 858 OE2 GLU A 59 -2.957 8.207 -23.846 1.00 0.00 O ATOM 0 H GLU A 59 1.101 9.578 -19.909 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.115 11.389 -20.706 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.348 9.487 -21.967 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.825 8.407 -21.241 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.142 10.759 -22.431 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.170 9.912 -23.617 1.00 0.00 H new ATOM 865 N ALA A 60 -1.503 9.131 -18.426 1.00 0.00 N ATOM 866 CA ALA A 60 -2.504 8.611 -17.446 1.00 0.00 C ATOM 867 C ALA A 60 -3.087 9.764 -16.624 1.00 0.00 C ATOM 868 O ALA A 60 -4.279 9.830 -16.391 1.00 0.00 O ATOM 869 CB ALA A 60 -1.722 7.652 -16.548 1.00 0.00 C ATOM 0 H ALA A 60 -0.538 8.849 -18.251 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.342 8.115 -17.936 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.391 7.228 -15.799 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.299 6.850 -17.153 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.918 8.194 -16.050 1.00 0.00 H new ATOM 875 N ILE A 61 -2.257 10.673 -16.185 1.00 0.00 N ATOM 876 CA ILE A 61 -2.763 11.822 -15.377 1.00 0.00 C ATOM 877 C ILE A 61 -3.763 12.641 -16.204 1.00 0.00 C ATOM 878 O ILE A 61 -4.743 13.141 -15.691 1.00 0.00 O ATOM 879 CB ILE A 61 -1.507 12.643 -15.031 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.871 12.070 -13.759 1.00 0.00 C ATOM 881 CG2 ILE A 61 -1.872 14.116 -14.792 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.345 12.911 -13.359 1.00 0.00 C ATOM 0 H ILE A 61 -1.251 10.670 -16.351 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.292 11.509 -14.477 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.807 12.586 -15.865 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.601 12.062 -12.949 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.570 11.036 -13.927 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.971 14.679 -14.549 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.326 14.529 -15.693 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.578 14.186 -13.965 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.792 12.498 -12.455 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.079 12.896 -14.165 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.032 13.938 -13.172 1.00 0.00 H new ATOM 894 N SER A 62 -3.524 12.783 -17.478 1.00 0.00 N ATOM 895 CA SER A 62 -4.461 13.576 -18.329 1.00 0.00 C ATOM 896 C SER A 62 -5.898 13.057 -18.183 1.00 0.00 C ATOM 897 O SER A 62 -6.821 13.817 -17.974 1.00 0.00 O ATOM 898 CB SER A 62 -3.962 13.379 -19.761 1.00 0.00 C ATOM 899 OG SER A 62 -4.423 12.128 -20.254 1.00 0.00 O ATOM 0 H SER A 62 -2.722 12.386 -17.968 1.00 0.00 H new ATOM 0 HA SER A 62 -4.479 14.628 -18.043 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.321 14.188 -20.397 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.873 13.413 -19.786 1.00 0.00 H new ATOM 0 HG SER A 62 -3.671 11.502 -20.313 1.00 0.00 H new ATOM 905 N LYS A 63 -6.093 11.771 -18.304 1.00 0.00 N ATOM 906 CA LYS A 63 -7.473 11.208 -18.187 1.00 0.00 C ATOM 907 C LYS A 63 -8.014 11.336 -16.756 1.00 0.00 C ATOM 908 O LYS A 63 -9.087 11.862 -16.538 1.00 0.00 O ATOM 909 CB LYS A 63 -7.332 9.734 -18.571 1.00 0.00 C ATOM 910 CG LYS A 63 -8.716 9.082 -18.607 1.00 0.00 C ATOM 911 CD LYS A 63 -8.767 8.053 -19.739 1.00 0.00 C ATOM 912 CE LYS A 63 -7.864 6.867 -19.395 1.00 0.00 C ATOM 913 NZ LYS A 63 -8.787 5.820 -18.876 1.00 0.00 N ATOM 0 H LYS A 63 -5.358 11.085 -18.479 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.176 11.742 -18.826 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.851 9.645 -19.545 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.694 9.219 -17.852 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.927 8.599 -17.653 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.484 9.841 -18.757 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.791 7.712 -19.888 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.444 8.510 -20.674 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.322 6.516 -20.273 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.118 7.142 -18.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.241 4.973 -18.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.284 6.181 -18.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.481 5.574 -19.610 1.00 0.00 H new ATOM 927 N ARG A 64 -7.292 10.843 -15.781 1.00 0.00 N ATOM 928 CA ARG A 64 -7.788 10.921 -14.372 1.00 0.00 C ATOM 929 C ARG A 64 -7.716 12.354 -13.832 1.00 0.00 C ATOM 930 O ARG A 64 -8.694 12.897 -13.357 1.00 0.00 O ATOM 931 CB ARG A 64 -6.856 10.006 -13.576 1.00 0.00 C ATOM 932 CG ARG A 64 -7.657 9.264 -12.505 1.00 0.00 C ATOM 933 CD ARG A 64 -8.301 8.020 -13.119 1.00 0.00 C ATOM 934 NE ARG A 64 -8.172 6.965 -12.076 1.00 0.00 N ATOM 935 CZ ARG A 64 -7.063 6.284 -11.971 1.00 0.00 C ATOM 936 NH1 ARG A 64 -6.511 5.768 -13.035 1.00 0.00 N ATOM 937 NH2 ARG A 64 -6.506 6.120 -10.802 1.00 0.00 N ATOM 0 H ARG A 64 -6.385 10.392 -15.898 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.833 10.620 -14.299 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.374 9.292 -14.244 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.064 10.593 -13.111 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.004 8.979 -11.680 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.425 9.918 -12.092 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.346 8.200 -13.371 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.797 7.728 -14.040 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.950 6.774 -11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.946 5.897 -13.949 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.645 5.236 -12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.937 6.524 -9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.640 5.588 -10.720 1.00 0.00 H new ATOM 951 N PHE A 65 -6.565 12.967 -13.898 1.00 0.00 N ATOM 952 CA PHE A 65 -6.427 14.364 -13.384 1.00 0.00 C ATOM 953 C PHE A 65 -7.215 15.338 -14.265 1.00 0.00 C ATOM 954 O PHE A 65 -7.783 16.300 -13.786 1.00 0.00 O ATOM 955 CB PHE A 65 -4.928 14.670 -13.434 1.00 0.00 C ATOM 956 CG PHE A 65 -4.451 15.101 -12.066 1.00 0.00 C ATOM 957 CD1 PHE A 65 -5.088 16.156 -11.401 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.372 14.443 -11.465 1.00 0.00 C ATOM 959 CE1 PHE A 65 -4.645 16.553 -10.133 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.929 14.839 -10.196 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.565 15.894 -9.531 1.00 0.00 C ATOM 0 H PHE A 65 -5.713 12.562 -14.286 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.822 14.469 -12.374 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.377 13.788 -13.761 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.731 15.456 -14.163 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.921 16.663 -11.866 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.881 13.630 -11.979 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.136 17.367 -9.620 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.097 14.331 -9.731 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.223 16.200 -8.553 1.00 0.00 H new ATOM 971 N LYS A 66 -7.239 15.099 -15.555 1.00 0.00 N ATOM 972 CA LYS A 66 -7.977 16.007 -16.494 1.00 0.00 C ATOM 973 C LYS A 66 -7.230 17.335 -16.637 1.00 0.00 C ATOM 974 O LYS A 66 -7.571 18.323 -16.018 1.00 0.00 O ATOM 975 CB LYS A 66 -9.363 16.227 -15.873 1.00 0.00 C ATOM 976 CG LYS A 66 -10.420 16.260 -16.978 1.00 0.00 C ATOM 977 CD LYS A 66 -11.814 16.294 -16.351 1.00 0.00 C ATOM 978 CE LYS A 66 -12.195 17.741 -16.024 1.00 0.00 C ATOM 979 NZ LYS A 66 -12.080 17.846 -14.543 1.00 0.00 N ATOM 0 H LYS A 66 -6.776 14.308 -16.002 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.059 15.575 -17.491 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.587 15.429 -15.165 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.378 17.162 -15.313 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.273 17.136 -17.610 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.319 15.384 -17.618 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.543 15.861 -17.036 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.831 15.689 -15.444 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.530 18.446 -16.522 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.208 17.967 -16.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.989 18.846 -14.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.930 17.443 -14.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.241 17.322 -14.222 1.00 0.00 H new ATOM 993 N SER A 67 -6.211 17.360 -17.456 1.00 0.00 N ATOM 994 CA SER A 67 -5.432 18.616 -17.653 1.00 0.00 C ATOM 995 C SER A 67 -4.526 18.482 -18.881 1.00 0.00 C ATOM 996 O SER A 67 -4.701 17.598 -19.696 1.00 0.00 O ATOM 997 CB SER A 67 -4.597 18.768 -16.382 1.00 0.00 C ATOM 998 OG SER A 67 -5.178 19.768 -15.555 1.00 0.00 O ATOM 0 H SER A 67 -5.884 16.560 -17.999 1.00 0.00 H new ATOM 0 HA SER A 67 -6.073 19.481 -17.822 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.551 17.819 -15.847 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.573 19.040 -16.636 1.00 0.00 H new ATOM 0 HG SER A 67 -6.135 19.587 -15.446 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.561 19.352 -19.020 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.646 19.270 -20.197 1.00 0.00 C ATOM 1006 C GLN A 68 -1.802 17.995 -20.124 1.00 0.00 C ATOM 1007 O GLN A 68 -1.843 17.268 -19.151 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.755 20.509 -20.099 1.00 0.00 C ATOM 1009 CG GLN A 68 -1.305 20.927 -21.501 1.00 0.00 C ATOM 1010 CD GLN A 68 -1.186 22.452 -21.574 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -1.697 23.156 -20.724 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.529 22.996 -22.561 1.00 0.00 N ATOM 0 H GLN A 68 -3.367 20.115 -18.371 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.192 19.236 -21.140 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.299 21.324 -19.622 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.887 20.297 -19.475 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.346 20.466 -21.738 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.020 20.573 -22.243 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.100 22.407 -23.274 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.444 24.011 -22.619 1.00 0.00 H new ATOM 1021 N THR A 69 -1.038 17.718 -21.147 1.00 0.00 N ATOM 1022 CA THR A 69 -0.191 16.489 -21.139 1.00 0.00 C ATOM 1023 C THR A 69 1.186 16.789 -21.738 1.00 0.00 C ATOM 1024 O THR A 69 2.207 16.515 -21.137 1.00 0.00 O ATOM 1025 CB THR A 69 -0.947 15.482 -22.008 1.00 0.00 C ATOM 1026 OG1 THR A 69 -2.303 15.424 -21.590 1.00 0.00 O ATOM 1027 CG2 THR A 69 -0.307 14.100 -21.865 1.00 0.00 C ATOM 0 H THR A 69 -0.964 18.290 -21.988 1.00 0.00 H new ATOM 0 HA THR A 69 -0.021 16.111 -20.131 1.00 0.00 H new ATOM 0 HB THR A 69 -0.901 15.794 -23.051 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.790 14.781 -22.146 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.846 13.383 -22.484 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.734 14.146 -22.186 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.352 13.784 -20.823 1.00 0.00 H new ATOM 1035 N ASP A 70 1.222 17.352 -22.916 1.00 0.00 N ATOM 1036 CA ASP A 70 2.535 17.672 -23.554 1.00 0.00 C ATOM 1037 C ASP A 70 3.334 18.630 -22.666 1.00 0.00 C ATOM 1038 O ASP A 70 4.411 18.310 -22.204 1.00 0.00 O ATOM 1039 CB ASP A 70 2.181 18.342 -24.882 1.00 0.00 C ATOM 1040 CG ASP A 70 3.386 18.286 -25.821 1.00 0.00 C ATOM 1041 OD1 ASP A 70 4.214 19.180 -25.745 1.00 0.00 O ATOM 1042 OD2 ASP A 70 3.463 17.350 -26.600 1.00 0.00 O ATOM 0 H ASP A 70 0.400 17.605 -23.465 1.00 0.00 H new ATOM 0 HA ASP A 70 3.150 16.784 -23.699 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.328 17.840 -25.338 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.888 19.378 -24.712 1.00 0.00 H new ATOM 1047 N GLN A 71 2.809 19.800 -22.422 1.00 0.00 N ATOM 1048 CA GLN A 71 3.532 20.783 -21.561 1.00 0.00 C ATOM 1049 C GLN A 71 3.732 20.206 -20.155 1.00 0.00 C ATOM 1050 O GLN A 71 4.640 20.587 -19.443 1.00 0.00 O ATOM 1051 CB GLN A 71 2.626 22.013 -21.512 1.00 0.00 C ATOM 1052 CG GLN A 71 2.792 22.821 -22.801 1.00 0.00 C ATOM 1053 CD GLN A 71 2.642 24.313 -22.492 1.00 0.00 C ATOM 1054 OE1 GLN A 71 3.383 25.128 -23.004 1.00 0.00 O ATOM 1055 NE2 GLN A 71 1.709 24.706 -21.669 1.00 0.00 N ATOM 0 H GLN A 71 1.909 20.119 -22.782 1.00 0.00 H new ATOM 0 HA GLN A 71 4.521 21.023 -21.951 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.586 21.708 -21.393 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.878 22.629 -20.649 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.770 22.627 -23.241 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.046 22.514 -23.534 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.087 24.022 -21.239 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.602 25.698 -21.456 1.00 0.00 H new ATOM 1064 N LEU A 72 2.885 19.294 -19.751 1.00 0.00 N ATOM 1065 CA LEU A 72 3.016 18.692 -18.389 1.00 0.00 C ATOM 1066 C LEU A 72 4.444 18.186 -18.153 1.00 0.00 C ATOM 1067 O LEU A 72 4.863 17.192 -18.714 1.00 0.00 O ATOM 1068 CB LEU A 72 2.028 17.524 -18.375 1.00 0.00 C ATOM 1069 CG LEU A 72 1.764 17.096 -16.931 1.00 0.00 C ATOM 1070 CD1 LEU A 72 0.827 18.102 -16.262 1.00 0.00 C ATOM 1071 CD2 LEU A 72 1.114 15.710 -16.922 1.00 0.00 C ATOM 0 H LEU A 72 2.107 18.939 -20.307 1.00 0.00 H new ATOM 0 HA LEU A 72 2.808 19.418 -17.603 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.094 17.818 -18.855 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.430 16.687 -18.946 1.00 0.00 H new ATOM 0 HG LEU A 72 2.707 17.061 -16.385 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.640 17.796 -15.233 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.289 19.089 -16.269 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.116 18.139 -16.807 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.925 15.403 -15.893 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.172 15.747 -17.469 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.782 14.992 -17.398 1.00 0.00 H new ATOM 1083 N VAL A 73 5.187 18.867 -17.323 1.00 0.00 N ATOM 1084 CA VAL A 73 6.588 18.437 -17.036 1.00 0.00 C ATOM 1085 C VAL A 73 6.790 18.322 -15.524 1.00 0.00 C ATOM 1086 O VAL A 73 6.355 19.173 -14.773 1.00 0.00 O ATOM 1087 CB VAL A 73 7.466 19.556 -17.605 1.00 0.00 C ATOM 1088 CG1 VAL A 73 8.942 19.228 -17.362 1.00 0.00 C ATOM 1089 CG2 VAL A 73 7.211 19.698 -19.111 1.00 0.00 C ATOM 0 H VAL A 73 4.884 19.706 -16.829 1.00 0.00 H new ATOM 0 HA VAL A 73 6.827 17.467 -17.473 1.00 0.00 H new ATOM 0 HB VAL A 73 7.219 20.494 -17.108 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.564 20.026 -17.768 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.123 19.136 -16.291 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.192 18.288 -17.854 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.837 20.495 -19.512 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.452 18.760 -19.611 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.162 19.940 -19.281 1.00 0.00 H new ATOM 1099 N LEU A 74 7.448 17.288 -15.061 1.00 0.00 N ATOM 1100 CA LEU A 74 7.660 17.162 -13.594 1.00 0.00 C ATOM 1101 C LEU A 74 9.129 17.425 -13.261 1.00 0.00 C ATOM 1102 O LEU A 74 9.999 17.270 -14.094 1.00 0.00 O ATOM 1103 CB LEU A 74 7.270 15.726 -13.255 1.00 0.00 C ATOM 1104 CG LEU A 74 5.838 15.696 -12.724 1.00 0.00 C ATOM 1105 CD1 LEU A 74 4.863 15.973 -13.868 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.547 14.315 -12.131 1.00 0.00 C ATOM 0 H LEU A 74 7.841 16.538 -15.629 1.00 0.00 H new ATOM 0 HA LEU A 74 7.071 17.879 -13.022 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.353 15.097 -14.141 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.954 15.319 -12.510 1.00 0.00 H new ATOM 0 HG LEU A 74 5.719 16.458 -11.954 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.841 15.951 -13.489 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.071 16.954 -14.294 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.980 15.211 -14.638 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.526 14.290 -11.751 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.665 13.555 -12.903 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.242 14.115 -11.316 1.00 0.00 H new ATOM 1118 N ILE A 75 9.409 17.827 -12.054 1.00 0.00 N ATOM 1119 CA ILE A 75 10.819 18.106 -11.670 1.00 0.00 C ATOM 1120 C ILE A 75 11.311 17.046 -10.685 1.00 0.00 C ATOM 1121 O ILE A 75 11.106 17.154 -9.490 1.00 0.00 O ATOM 1122 CB ILE A 75 10.784 19.487 -11.011 1.00 0.00 C ATOM 1123 CG1 ILE A 75 10.315 20.530 -12.034 1.00 0.00 C ATOM 1124 CG2 ILE A 75 12.183 19.857 -10.509 1.00 0.00 C ATOM 1125 CD1 ILE A 75 11.267 20.548 -13.237 1.00 0.00 C ATOM 0 H ILE A 75 8.721 17.975 -11.316 1.00 0.00 H new ATOM 0 HA ILE A 75 11.497 18.084 -12.523 1.00 0.00 H new ATOM 0 HB ILE A 75 10.093 19.466 -10.168 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.302 20.298 -12.364 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.281 21.516 -11.571 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.153 20.841 -10.041 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.515 19.118 -9.780 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.878 19.876 -11.349 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.927 21.291 -13.959 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.273 20.801 -12.901 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.278 19.564 -13.707 1.00 0.00 H new ATOM 1137 N PHE A 76 11.955 16.023 -11.180 1.00 0.00 N ATOM 1138 CA PHE A 76 12.464 14.954 -10.272 1.00 0.00 C ATOM 1139 C PHE A 76 13.624 15.486 -9.424 1.00 0.00 C ATOM 1140 O PHE A 76 14.765 15.109 -9.611 1.00 0.00 O ATOM 1141 CB PHE A 76 12.946 13.831 -11.191 1.00 0.00 C ATOM 1142 CG PHE A 76 13.391 12.656 -10.350 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.479 12.016 -9.502 1.00 0.00 C ATOM 1144 CD2 PHE A 76 14.717 12.211 -10.414 1.00 0.00 C ATOM 1145 CE1 PHE A 76 12.894 10.932 -8.718 1.00 0.00 C ATOM 1146 CE2 PHE A 76 15.131 11.127 -9.632 1.00 0.00 C ATOM 1147 CZ PHE A 76 14.219 10.487 -8.784 1.00 0.00 C ATOM 0 H PHE A 76 12.150 15.881 -12.171 1.00 0.00 H new ATOM 0 HA PHE A 76 11.695 14.608 -9.582 1.00 0.00 H new ATOM 0 HB2 PHE A 76 12.145 13.528 -11.865 1.00 0.00 H new ATOM 0 HB3 PHE A 76 13.770 14.182 -11.812 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.456 12.358 -9.452 1.00 0.00 H new ATOM 0 HD2 PHE A 76 15.421 12.705 -11.068 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.191 10.440 -8.062 1.00 0.00 H new ATOM 0 HE2 PHE A 76 16.154 10.784 -9.683 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.538 9.650 -8.181 1.00 0.00 H new ATOM 1157 N ALA A 77 13.326 16.359 -8.489 1.00 0.00 N ATOM 1158 CA ALA A 77 14.377 16.941 -7.589 1.00 0.00 C ATOM 1159 C ALA A 77 15.753 17.000 -8.264 1.00 0.00 C ATOM 1160 O ALA A 77 16.754 16.640 -7.675 1.00 0.00 O ATOM 1161 CB ALA A 77 14.419 16.001 -6.384 1.00 0.00 C ATOM 0 H ALA A 77 12.382 16.699 -8.308 1.00 0.00 H new ATOM 0 HA ALA A 77 14.137 17.970 -7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.165 16.355 -5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.441 15.981 -5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.681 14.996 -6.715 1.00 0.00 H new ATOM 1167 N GLY A 78 15.818 17.450 -9.490 1.00 0.00 N ATOM 1168 CA GLY A 78 17.139 17.526 -10.178 1.00 0.00 C ATOM 1169 C GLY A 78 16.942 17.531 -11.694 1.00 0.00 C ATOM 1170 O GLY A 78 17.333 18.463 -12.373 1.00 0.00 O ATOM 0 H GLY A 78 15.019 17.766 -10.040 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.667 18.428 -9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.759 16.678 -9.887 1.00 0.00 H new ATOM 1174 N LYS A 79 16.351 16.500 -12.236 1.00 0.00 N ATOM 1175 CA LYS A 79 16.148 16.456 -13.716 1.00 0.00 C ATOM 1176 C LYS A 79 14.679 16.718 -14.062 1.00 0.00 C ATOM 1177 O LYS A 79 13.932 17.254 -13.267 1.00 0.00 O ATOM 1178 CB LYS A 79 16.566 15.045 -14.140 1.00 0.00 C ATOM 1179 CG LYS A 79 15.676 14.009 -13.453 1.00 0.00 C ATOM 1180 CD LYS A 79 15.881 12.643 -14.110 1.00 0.00 C ATOM 1181 CE LYS A 79 15.248 12.644 -15.505 1.00 0.00 C ATOM 1182 NZ LYS A 79 13.953 11.925 -15.340 1.00 0.00 N ATOM 0 H LYS A 79 16.001 15.691 -11.723 1.00 0.00 H new ATOM 0 HA LYS A 79 16.731 17.219 -14.232 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.488 14.943 -15.222 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.610 14.871 -13.878 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.917 13.954 -12.392 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.630 14.306 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.945 12.419 -14.183 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.432 11.862 -13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.092 13.660 -15.867 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.889 12.142 -16.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.262 12.292 -16.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.097 10.908 -15.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.595 12.072 -14.375 1.00 0.00 H new ATOM 1196 N ILE A 80 14.259 16.344 -15.242 1.00 0.00 N ATOM 1197 CA ILE A 80 12.836 16.575 -15.633 1.00 0.00 C ATOM 1198 C ILE A 80 12.079 15.257 -15.642 1.00 0.00 C ATOM 1199 O ILE A 80 12.305 14.419 -16.493 1.00 0.00 O ATOM 1200 CB ILE A 80 12.846 17.157 -17.062 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.208 17.789 -17.392 1.00 0.00 C ATOM 1202 CG2 ILE A 80 11.758 18.229 -17.174 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.549 18.860 -16.354 1.00 0.00 C ATOM 0 H ILE A 80 14.837 15.890 -15.950 1.00 0.00 H new ATOM 0 HA ILE A 80 12.352 17.252 -14.929 1.00 0.00 H new ATOM 0 HB ILE A 80 12.659 16.347 -17.767 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.982 17.021 -17.403 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.182 18.231 -18.388 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.759 18.645 -18.182 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.785 17.783 -16.967 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.954 19.023 -16.454 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.515 19.304 -16.593 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.781 19.634 -16.364 1.00 0.00 H new ATOM 0 HD13 ILE A 80 14.594 18.406 -15.364 1.00 0.00 H new ATOM 1215 N LEU A 81 11.162 15.069 -14.734 1.00 0.00 N ATOM 1216 CA LEU A 81 10.384 13.807 -14.756 1.00 0.00 C ATOM 1217 C LEU A 81 9.476 13.848 -15.981 1.00 0.00 C ATOM 1218 O LEU A 81 8.285 14.091 -15.891 1.00 0.00 O ATOM 1219 CB LEU A 81 9.572 13.780 -13.461 1.00 0.00 C ATOM 1220 CG LEU A 81 9.944 12.538 -12.651 1.00 0.00 C ATOM 1221 CD1 LEU A 81 9.746 12.815 -11.162 1.00 0.00 C ATOM 1222 CD2 LEU A 81 9.044 11.374 -13.069 1.00 0.00 C ATOM 0 H LEU A 81 10.923 15.725 -13.990 1.00 0.00 H new ATOM 0 HA LEU A 81 11.008 12.915 -14.817 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.768 14.680 -12.878 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.506 13.773 -13.688 1.00 0.00 H new ATOM 0 HG LEU A 81 10.988 12.285 -12.837 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.012 11.927 -10.588 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.382 13.647 -10.859 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.703 13.069 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.306 10.486 -12.493 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.002 11.634 -12.881 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.181 11.171 -14.131 1.00 0.00 H new ATOM 1234 N LYS A 82 10.058 13.654 -17.133 1.00 0.00 N ATOM 1235 CA LYS A 82 9.277 13.699 -18.397 1.00 0.00 C ATOM 1236 C LYS A 82 9.584 12.459 -19.240 1.00 0.00 C ATOM 1237 O LYS A 82 10.048 11.455 -18.741 1.00 0.00 O ATOM 1238 CB LYS A 82 9.757 14.966 -19.109 1.00 0.00 C ATOM 1239 CG LYS A 82 8.626 15.531 -19.970 1.00 0.00 C ATOM 1240 CD LYS A 82 8.622 17.057 -19.879 1.00 0.00 C ATOM 1241 CE LYS A 82 9.347 17.645 -21.092 1.00 0.00 C ATOM 1242 NZ LYS A 82 10.743 17.136 -20.989 1.00 0.00 N ATOM 0 H LYS A 82 11.053 13.464 -17.251 1.00 0.00 H new ATOM 0 HA LYS A 82 8.201 13.712 -18.225 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.076 15.708 -18.377 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.623 14.740 -19.731 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.755 15.219 -21.007 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.668 15.135 -19.634 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.597 17.427 -19.841 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.111 17.378 -18.959 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.879 17.328 -22.024 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.322 18.735 -21.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.382 17.766 -21.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.029 17.108 -19.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.794 16.178 -21.391 1.00 0.00 H new ATOM 1256 N ASP A 83 9.329 12.527 -20.515 1.00 0.00 N ATOM 1257 CA ASP A 83 9.598 11.356 -21.403 1.00 0.00 C ATOM 1258 C ASP A 83 11.102 11.180 -21.633 1.00 0.00 C ATOM 1259 O ASP A 83 11.546 10.156 -22.115 1.00 0.00 O ATOM 1260 CB ASP A 83 8.870 11.666 -22.710 1.00 0.00 C ATOM 1261 CG ASP A 83 9.448 12.936 -23.339 1.00 0.00 C ATOM 1262 OD1 ASP A 83 9.432 13.961 -22.679 1.00 0.00 O ATOM 1263 OD2 ASP A 83 9.895 12.861 -24.473 1.00 0.00 O ATOM 0 H ASP A 83 8.944 13.346 -20.986 1.00 0.00 H new ATOM 0 HA ASP A 83 9.249 10.422 -20.962 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.972 10.829 -23.401 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.804 11.796 -22.521 1.00 0.00 H new ATOM 1268 N GLN A 84 11.888 12.168 -21.295 1.00 0.00 N ATOM 1269 CA GLN A 84 13.364 12.056 -21.497 1.00 0.00 C ATOM 1270 C GLN A 84 13.892 10.762 -20.867 1.00 0.00 C ATOM 1271 O GLN A 84 14.834 10.167 -21.352 1.00 0.00 O ATOM 1272 CB GLN A 84 13.957 13.276 -20.791 1.00 0.00 C ATOM 1273 CG GLN A 84 15.449 13.378 -21.113 1.00 0.00 C ATOM 1274 CD GLN A 84 16.026 14.640 -20.469 1.00 0.00 C ATOM 1275 OE1 GLN A 84 16.334 14.648 -19.293 1.00 0.00 O ATOM 1276 NE2 GLN A 84 16.189 15.712 -21.193 1.00 0.00 N ATOM 0 H GLN A 84 11.572 13.048 -20.888 1.00 0.00 H new ATOM 0 HA GLN A 84 13.632 12.026 -22.553 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.442 14.181 -21.113 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.812 13.192 -19.714 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.973 12.496 -20.743 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.598 13.407 -22.192 1.00 0.00 H new ATOM 0 HE21 GLN A 84 15.931 15.705 -22.180 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.575 16.557 -20.773 1.00 0.00 H new ATOM 1285 N ASP A 85 13.292 10.324 -19.791 1.00 0.00 N ATOM 1286 CA ASP A 85 13.763 9.068 -19.134 1.00 0.00 C ATOM 1287 C ASP A 85 12.567 8.176 -18.791 1.00 0.00 C ATOM 1288 O ASP A 85 11.440 8.477 -19.132 1.00 0.00 O ATOM 1289 CB ASP A 85 14.476 9.528 -17.860 1.00 0.00 C ATOM 1290 CG ASP A 85 15.888 8.941 -17.821 1.00 0.00 C ATOM 1291 OD1 ASP A 85 16.013 7.740 -17.996 1.00 0.00 O ATOM 1292 OD2 ASP A 85 16.820 9.701 -17.618 1.00 0.00 O ATOM 0 H ASP A 85 12.499 10.780 -19.340 1.00 0.00 H new ATOM 0 HA ASP A 85 14.421 8.485 -19.778 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.523 10.617 -17.831 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.915 9.209 -16.982 1.00 0.00 H new ATOM 1297 N THR A 86 12.801 7.082 -18.115 1.00 0.00 N ATOM 1298 CA THR A 86 11.674 6.178 -17.748 1.00 0.00 C ATOM 1299 C THR A 86 11.258 6.434 -16.298 1.00 0.00 C ATOM 1300 O THR A 86 12.089 6.588 -15.423 1.00 0.00 O ATOM 1301 CB THR A 86 12.216 4.751 -17.912 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.507 4.789 -18.507 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.271 3.941 -18.803 1.00 0.00 C ATOM 0 H THR A 86 13.723 6.777 -17.802 1.00 0.00 H new ATOM 0 HA THR A 86 10.795 6.341 -18.372 1.00 0.00 H new ATOM 0 HB THR A 86 12.285 4.282 -16.930 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.848 3.876 -18.607 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.658 2.928 -18.918 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.283 3.902 -18.345 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.198 4.415 -19.782 1.00 0.00 H new ATOM 1311 N LEU A 87 9.979 6.486 -16.037 1.00 0.00 N ATOM 1312 CA LEU A 87 9.510 6.739 -14.642 1.00 0.00 C ATOM 1313 C LEU A 87 10.108 5.705 -13.689 1.00 0.00 C ATOM 1314 O LEU A 87 10.631 6.040 -12.645 1.00 0.00 O ATOM 1315 CB LEU A 87 7.987 6.596 -14.715 1.00 0.00 C ATOM 1316 CG LEU A 87 7.347 7.189 -13.459 1.00 0.00 C ATOM 1317 CD1 LEU A 87 7.708 8.674 -13.345 1.00 0.00 C ATOM 1318 CD2 LEU A 87 5.826 7.044 -13.550 1.00 0.00 C ATOM 0 H LEU A 87 9.239 6.364 -16.728 1.00 0.00 H new ATOM 0 HA LEU A 87 9.811 7.718 -14.269 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.608 7.104 -15.601 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.716 5.544 -14.810 1.00 0.00 H new ATOM 0 HG LEU A 87 7.717 6.659 -12.581 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.250 9.092 -12.449 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.791 8.781 -13.283 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.340 9.206 -14.222 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.366 7.466 -12.656 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.462 7.574 -14.430 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.565 5.989 -13.629 1.00 0.00 H new ATOM 1330 N ILE A 88 10.041 4.456 -14.041 1.00 0.00 N ATOM 1331 CA ILE A 88 10.612 3.402 -13.160 1.00 0.00 C ATOM 1332 C ILE A 88 12.145 3.407 -13.213 1.00 0.00 C ATOM 1333 O ILE A 88 12.801 2.795 -12.392 1.00 0.00 O ATOM 1334 CB ILE A 88 10.064 2.094 -13.720 1.00 0.00 C ATOM 1335 CG1 ILE A 88 10.583 1.890 -15.149 1.00 0.00 C ATOM 1336 CG2 ILE A 88 8.532 2.145 -13.734 1.00 0.00 C ATOM 1337 CD1 ILE A 88 11.856 1.043 -15.115 1.00 0.00 C ATOM 0 H ILE A 88 9.614 4.117 -14.903 1.00 0.00 H new ATOM 0 HA ILE A 88 10.343 3.556 -12.115 1.00 0.00 H new ATOM 0 HB ILE A 88 10.394 1.265 -13.093 1.00 0.00 H new ATOM 0 HG12 ILE A 88 9.823 1.399 -15.756 1.00 0.00 H new ATOM 0 HG13 ILE A 88 10.788 2.854 -15.614 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.140 1.210 -14.134 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.163 2.287 -12.718 1.00 0.00 H new ATOM 0 HG23 ILE A 88 8.201 2.974 -14.359 1.00 0.00 H new ATOM 0 HD11 ILE A 88 12.224 0.898 -16.131 1.00 0.00 H new ATOM 0 HD12 ILE A 88 12.616 1.552 -14.523 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.636 0.074 -14.667 1.00 0.00 H new ATOM 1349 N GLN A 89 12.722 4.062 -14.188 1.00 0.00 N ATOM 1350 CA GLN A 89 14.210 4.062 -14.301 1.00 0.00 C ATOM 1351 C GLN A 89 14.823 5.392 -13.849 1.00 0.00 C ATOM 1352 O GLN A 89 16.009 5.605 -14.010 1.00 0.00 O ATOM 1353 CB GLN A 89 14.488 3.835 -15.785 1.00 0.00 C ATOM 1354 CG GLN A 89 15.995 3.706 -16.007 1.00 0.00 C ATOM 1355 CD GLN A 89 16.258 3.011 -17.345 1.00 0.00 C ATOM 1356 OE1 GLN A 89 16.314 1.799 -17.413 1.00 0.00 O ATOM 1357 NE2 GLN A 89 16.423 3.733 -18.420 1.00 0.00 N ATOM 0 H GLN A 89 12.230 4.593 -14.906 1.00 0.00 H new ATOM 0 HA GLN A 89 14.651 3.297 -13.662 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.981 2.933 -16.127 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.093 4.665 -16.371 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.460 4.692 -16.000 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.445 3.136 -15.195 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.376 4.750 -18.363 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.599 3.280 -19.317 1.00 0.00 H new ATOM 1366 N HIS A 90 14.052 6.290 -13.291 1.00 0.00 N ATOM 1367 CA HIS A 90 14.656 7.588 -12.853 1.00 0.00 C ATOM 1368 C HIS A 90 13.610 8.466 -12.177 1.00 0.00 C ATOM 1369 O HIS A 90 13.832 9.004 -11.110 1.00 0.00 O ATOM 1370 CB HIS A 90 15.152 8.255 -14.141 1.00 0.00 C ATOM 1371 CG HIS A 90 16.637 8.483 -14.053 1.00 0.00 C ATOM 1372 ND1 HIS A 90 17.259 8.847 -12.869 1.00 0.00 N ATOM 1373 CD2 HIS A 90 17.635 8.401 -14.993 1.00 0.00 C ATOM 1374 CE1 HIS A 90 18.574 8.971 -13.125 1.00 0.00 C ATOM 1375 NE2 HIS A 90 18.857 8.709 -14.404 1.00 0.00 N ATOM 0 H HIS A 90 13.051 6.187 -13.121 1.00 0.00 H new ATOM 0 HA HIS A 90 15.459 7.437 -12.131 1.00 0.00 H new ATOM 0 HB2 HIS A 90 14.921 7.626 -15.000 1.00 0.00 H new ATOM 0 HB3 HIS A 90 14.637 9.203 -14.293 1.00 0.00 H new ATOM 0 HD2 HIS A 90 17.493 8.138 -16.031 1.00 0.00 H new ATOM 0 HE1 HIS A 90 19.311 9.249 -12.386 1.00 0.00 H new ATOM 0 HE2 HIS A 90 19.773 8.730 -14.853 1.00 0.00 H new ATOM 1383 N GLY A 91 12.477 8.622 -12.797 1.00 0.00 N ATOM 1384 CA GLY A 91 11.417 9.475 -12.199 1.00 0.00 C ATOM 1385 C GLY A 91 11.029 8.922 -10.828 1.00 0.00 C ATOM 1386 O GLY A 91 10.830 9.664 -9.888 1.00 0.00 O ATOM 0 H GLY A 91 12.239 8.196 -13.692 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.773 10.501 -12.102 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.545 9.501 -12.852 1.00 0.00 H new ATOM 1390 N ILE A 92 10.912 7.626 -10.709 1.00 0.00 N ATOM 1391 CA ILE A 92 10.522 7.032 -9.398 1.00 0.00 C ATOM 1392 C ILE A 92 11.389 5.815 -9.077 1.00 0.00 C ATOM 1393 O ILE A 92 11.561 4.929 -9.892 1.00 0.00 O ATOM 1394 CB ILE A 92 9.065 6.589 -9.571 1.00 0.00 C ATOM 1395 CG1 ILE A 92 8.300 7.606 -10.429 1.00 0.00 C ATOM 1396 CG2 ILE A 92 8.400 6.467 -8.197 1.00 0.00 C ATOM 1397 CD1 ILE A 92 8.288 8.973 -9.743 1.00 0.00 C ATOM 0 H ILE A 92 11.069 6.955 -11.461 1.00 0.00 H new ATOM 0 HA ILE A 92 10.649 7.747 -8.585 1.00 0.00 H new ATOM 0 HB ILE A 92 9.045 5.621 -10.072 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.766 7.688 -11.411 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.278 7.262 -10.589 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.364 6.152 -8.321 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.934 5.729 -7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.428 7.433 -7.692 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.742 9.686 -10.361 1.00 0.00 H new ATOM 0 HD12 ILE A 92 7.801 8.888 -8.772 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.312 9.321 -9.606 1.00 0.00 H new ATOM 1409 N HIS A 93 11.917 5.754 -7.885 1.00 0.00 N ATOM 1410 CA HIS A 93 12.748 4.581 -7.497 1.00 0.00 C ATOM 1411 C HIS A 93 11.874 3.586 -6.734 1.00 0.00 C ATOM 1412 O HIS A 93 11.981 2.387 -6.901 1.00 0.00 O ATOM 1413 CB HIS A 93 13.843 5.147 -6.591 1.00 0.00 C ATOM 1414 CG HIS A 93 14.741 6.050 -7.392 1.00 0.00 C ATOM 1415 ND1 HIS A 93 15.579 6.979 -6.794 1.00 0.00 N ATOM 1416 CD2 HIS A 93 14.946 6.177 -8.743 1.00 0.00 C ATOM 1417 CE1 HIS A 93 16.242 7.618 -7.774 1.00 0.00 C ATOM 1418 NE2 HIS A 93 15.894 7.168 -8.983 1.00 0.00 N ATOM 0 H HIS A 93 11.808 6.467 -7.163 1.00 0.00 H new ATOM 0 HA HIS A 93 13.175 4.059 -8.353 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.396 5.701 -5.765 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.423 4.335 -6.153 1.00 0.00 H new ATOM 0 HD2 HIS A 93 14.447 5.596 -9.505 1.00 0.00 H new ATOM 0 HE1 HIS A 93 16.968 8.400 -7.604 1.00 0.00 H new ATOM 0 HE2 HIS A 93 16.247 7.483 -9.887 1.00 0.00 H new ATOM 1426 N ASP A 94 10.997 4.090 -5.904 1.00 0.00 N ATOM 1427 CA ASP A 94 10.084 3.205 -5.118 1.00 0.00 C ATOM 1428 C ASP A 94 9.144 4.062 -4.264 1.00 0.00 C ATOM 1429 O ASP A 94 8.780 3.694 -3.164 1.00 0.00 O ATOM 1430 CB ASP A 94 10.998 2.363 -4.225 1.00 0.00 C ATOM 1431 CG ASP A 94 10.157 1.356 -3.438 1.00 0.00 C ATOM 1432 OD1 ASP A 94 9.288 0.744 -4.037 1.00 0.00 O ATOM 1433 OD2 ASP A 94 10.395 1.215 -2.249 1.00 0.00 O ATOM 0 H ASP A 94 10.873 5.088 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 94 9.464 2.578 -5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.736 1.840 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.548 3.007 -3.540 1.00 0.00 H new ATOM 1438 N GLY A 95 8.751 5.206 -4.763 1.00 0.00 N ATOM 1439 CA GLY A 95 7.838 6.090 -3.982 1.00 0.00 C ATOM 1440 C GLY A 95 8.581 7.364 -3.575 1.00 0.00 C ATOM 1441 O GLY A 95 8.848 7.589 -2.411 1.00 0.00 O ATOM 0 H GLY A 95 9.024 5.565 -5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.962 6.343 -4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.480 5.567 -3.095 1.00 0.00 H new ATOM 1445 N LEU A 96 8.914 8.203 -4.523 1.00 0.00 N ATOM 1446 CA LEU A 96 9.638 9.462 -4.181 1.00 0.00 C ATOM 1447 C LEU A 96 8.712 10.669 -4.365 1.00 0.00 C ATOM 1448 O LEU A 96 7.520 10.523 -4.557 1.00 0.00 O ATOM 1449 CB LEU A 96 10.809 9.528 -5.164 1.00 0.00 C ATOM 1450 CG LEU A 96 12.114 9.208 -4.432 1.00 0.00 C ATOM 1451 CD1 LEU A 96 12.305 7.692 -4.365 1.00 0.00 C ATOM 1452 CD2 LEU A 96 13.288 9.836 -5.187 1.00 0.00 C ATOM 0 H LEU A 96 8.716 8.070 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 96 9.977 9.476 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.654 8.820 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.865 10.520 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 96 12.071 9.613 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.235 7.465 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.469 7.243 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.347 7.286 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.218 9.609 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.329 9.430 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 96 13.154 10.917 -5.235 1.00 0.00 H new ATOM 1464 N THR A 97 9.254 11.855 -4.312 1.00 0.00 N ATOM 1465 CA THR A 97 8.410 13.073 -4.488 1.00 0.00 C ATOM 1466 C THR A 97 8.759 13.760 -5.809 1.00 0.00 C ATOM 1467 O THR A 97 9.898 13.765 -6.232 1.00 0.00 O ATOM 1468 CB THR A 97 8.762 13.976 -3.303 1.00 0.00 C ATOM 1469 OG1 THR A 97 8.629 13.242 -2.094 1.00 0.00 O ATOM 1470 CG2 THR A 97 7.819 15.180 -3.278 1.00 0.00 C ATOM 0 H THR A 97 10.246 12.034 -4.154 1.00 0.00 H new ATOM 0 HA THR A 97 7.345 12.841 -4.517 1.00 0.00 H new ATOM 0 HB THR A 97 9.790 14.325 -3.405 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.856 13.819 -1.335 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.071 15.822 -2.434 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.923 15.743 -4.206 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.790 14.834 -3.177 1.00 0.00 H new ATOM 1478 N VAL A 98 7.786 14.328 -6.471 1.00 0.00 N ATOM 1479 CA VAL A 98 8.068 15.001 -7.774 1.00 0.00 C ATOM 1480 C VAL A 98 7.314 16.330 -7.865 1.00 0.00 C ATOM 1481 O VAL A 98 6.156 16.421 -7.507 1.00 0.00 O ATOM 1482 CB VAL A 98 7.571 14.019 -8.840 1.00 0.00 C ATOM 1483 CG1 VAL A 98 8.211 12.646 -8.611 1.00 0.00 C ATOM 1484 CG2 VAL A 98 6.047 13.887 -8.753 1.00 0.00 C ATOM 0 H VAL A 98 6.812 14.356 -6.168 1.00 0.00 H new ATOM 0 HA VAL A 98 9.125 15.236 -7.897 1.00 0.00 H new ATOM 0 HB VAL A 98 7.847 14.392 -9.826 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.857 11.948 -9.370 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.295 12.734 -8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.937 12.277 -7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.698 13.188 -9.513 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.770 13.518 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.587 14.861 -8.918 1.00 0.00 H new ATOM 1494 N HIS A 99 7.959 17.360 -8.345 1.00 0.00 N ATOM 1495 CA HIS A 99 7.271 18.679 -8.463 1.00 0.00 C ATOM 1496 C HIS A 99 6.599 18.801 -9.835 1.00 0.00 C ATOM 1497 O HIS A 99 7.257 18.822 -10.855 1.00 0.00 O ATOM 1498 CB HIS A 99 8.383 19.721 -8.312 1.00 0.00 C ATOM 1499 CG HIS A 99 8.111 20.580 -7.106 1.00 0.00 C ATOM 1500 ND1 HIS A 99 7.066 21.490 -7.067 1.00 0.00 N ATOM 1501 CD2 HIS A 99 8.739 20.677 -5.889 1.00 0.00 C ATOM 1502 CE1 HIS A 99 7.097 22.089 -5.863 1.00 0.00 C ATOM 1503 NE2 HIS A 99 8.096 21.632 -5.106 1.00 0.00 N ATOM 0 H HIS A 99 8.929 17.346 -8.660 1.00 0.00 H new ATOM 0 HA HIS A 99 6.490 18.808 -7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.348 19.225 -8.207 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.438 20.341 -9.207 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.600 20.101 -5.585 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.397 22.849 -5.547 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.337 21.920 -4.158 1.00 0.00 H new ATOM 1511 N LEU A 100 5.295 18.881 -9.870 1.00 0.00 N ATOM 1512 CA LEU A 100 4.593 18.999 -11.183 1.00 0.00 C ATOM 1513 C LEU A 100 4.578 20.457 -11.648 1.00 0.00 C ATOM 1514 O LEU A 100 4.273 21.358 -10.891 1.00 0.00 O ATOM 1515 CB LEU A 100 3.169 18.504 -10.925 1.00 0.00 C ATOM 1516 CG LEU A 100 2.464 18.251 -12.262 1.00 0.00 C ATOM 1517 CD1 LEU A 100 1.724 16.912 -12.208 1.00 0.00 C ATOM 1518 CD2 LEU A 100 1.461 19.375 -12.531 1.00 0.00 C ATOM 0 H LEU A 100 4.688 18.870 -9.051 1.00 0.00 H new ATOM 0 HA LEU A 100 5.087 18.421 -11.964 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.193 17.587 -10.335 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.616 19.242 -10.344 1.00 0.00 H new ATOM 0 HG LEU A 100 3.205 18.224 -13.061 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.223 16.734 -13.160 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.437 16.110 -12.018 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.984 16.937 -11.408 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.959 19.195 -13.482 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.722 19.402 -11.730 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.986 20.329 -12.573 1.00 0.00 H new ATOM 1530 N VAL A 101 4.903 20.693 -12.890 1.00 0.00 N ATOM 1531 CA VAL A 101 4.909 22.090 -13.412 1.00 0.00 C ATOM 1532 C VAL A 101 4.886 22.079 -14.944 1.00 0.00 C ATOM 1533 O VAL A 101 5.789 21.577 -15.585 1.00 0.00 O ATOM 1534 CB VAL A 101 6.209 22.707 -12.888 1.00 0.00 C ATOM 1535 CG1 VAL A 101 7.410 21.921 -13.421 1.00 0.00 C ATOM 1536 CG2 VAL A 101 6.310 24.163 -13.350 1.00 0.00 C ATOM 0 H VAL A 101 5.165 19.977 -13.567 1.00 0.00 H new ATOM 0 HA VAL A 101 4.037 22.659 -13.089 1.00 0.00 H new ATOM 0 HB VAL A 101 6.207 22.669 -11.799 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.332 22.365 -13.045 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.344 20.885 -13.088 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.411 21.952 -14.511 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.236 24.600 -12.976 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.305 24.200 -14.439 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.461 24.727 -12.964 1.00 0.00 H new ATOM 1546 N ILE A 102 3.856 22.623 -15.534 1.00 0.00 N ATOM 1547 CA ILE A 102 3.773 22.636 -17.028 1.00 0.00 C ATOM 1548 C ILE A 102 4.665 23.746 -17.598 1.00 0.00 C ATOM 1549 O ILE A 102 4.698 24.851 -17.094 1.00 0.00 O ATOM 1550 CB ILE A 102 2.287 22.877 -17.380 1.00 0.00 C ATOM 1551 CG1 ILE A 102 1.930 24.376 -17.287 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.382 22.073 -16.438 1.00 0.00 C ATOM 1553 CD1 ILE A 102 2.077 24.879 -15.848 1.00 0.00 C ATOM 0 H ILE A 102 3.070 23.058 -15.051 1.00 0.00 H new ATOM 0 HA ILE A 102 4.122 21.697 -17.458 1.00 0.00 H new ATOM 0 HB ILE A 102 2.128 22.546 -18.406 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.580 24.951 -17.947 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.907 24.533 -17.630 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.338 22.251 -16.696 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.604 21.011 -16.539 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.560 22.385 -15.409 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.821 25.938 -15.805 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.409 24.317 -15.196 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.107 24.741 -15.518 1.00 0.00 H new ATOM 1565 N LYS A 103 5.388 23.454 -18.646 1.00 0.00 N ATOM 1566 CA LYS A 103 6.278 24.487 -19.251 1.00 0.00 C ATOM 1567 C LYS A 103 5.606 25.107 -20.480 1.00 0.00 C ATOM 1568 O LYS A 103 4.387 25.162 -20.499 1.00 0.00 O ATOM 1569 CB LYS A 103 7.548 23.731 -19.655 1.00 0.00 C ATOM 1570 CG LYS A 103 8.738 24.259 -18.851 1.00 0.00 C ATOM 1571 CD LYS A 103 9.015 25.712 -19.241 1.00 0.00 C ATOM 1572 CE LYS A 103 10.080 25.754 -20.340 1.00 0.00 C ATOM 1573 NZ LYS A 103 11.339 26.135 -19.642 1.00 0.00 N ATOM 0 H LYS A 103 5.401 22.545 -19.109 1.00 0.00 H new ATOM 0 HA LYS A 103 6.494 25.303 -18.561 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.420 22.663 -19.476 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.733 23.855 -20.722 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.527 24.192 -17.784 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.619 23.646 -19.041 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.098 26.187 -19.591 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.353 26.275 -18.371 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.179 24.786 -20.831 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.822 26.479 -21.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.117 26.184 -20.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.218 27.063 -19.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.563 25.423 -18.917 1.00 0.00 H new TER 1587 LYS A 103