USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 654 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 148:sc= 0.0251 (180deg=0) USER MOD Single : A 3 MET CE :methyl 152:sc= -0.769 (180deg=-1.71!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -2.06! C(o=-2.1!,f=-2.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -136:sc= -0.0378 (180deg=-0.679) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 61:sc=-0.00796 USER MOD Single : A 46 MET CE :methyl 144:sc= 0 (180deg=-0.334) USER MOD Single : A 48 MET CE :methyl -136:sc= -0.0645 (180deg=-0.393) USER MOD Single : A 51 GLN :FLIP amide:sc= -3.85! C(o=-5.3!,f=-3.8!) USER MOD Single : A 52 ASN : amide:sc= -5.6! C(o=-5.6!,f=-15!) USER MOD Single : A 54 THR OG1 : rot 109:sc= 0.702 USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0137) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 81 MET CE :methyl -159:sc= -0.313 (180deg=-1.47) USER MOD Single : A 82 MET CE :methyl -176:sc= -4.93 (180deg=-5.19) USER MOD Single : A 85 GLN : amide:sc= -0.0207 K(o=-0.021,f=-2.6!) USER MOD Single : A 86 MET CE :methyl -142:sc= -0.944 (180deg=-2.62!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.532 -4.782 -11.239 1.00 0.00 N ATOM 2 CA ALA A 1 -13.437 -5.235 -10.147 1.00 0.00 C ATOM 3 C ALA A 1 -13.193 -4.385 -8.898 1.00 0.00 C ATOM 4 O ALA A 1 -12.082 -3.987 -8.613 1.00 0.00 O ATOM 5 CB ALA A 1 -13.158 -6.705 -9.827 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.279 -5.593 -11.839 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.015 -4.063 -11.815 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.669 -4.373 -10.827 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.474 -5.125 -10.466 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.821 -7.036 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.332 -7.310 -10.716 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.122 -6.818 -9.509 1.00 0.00 H new ATOM 13 N SER A 2 -14.227 -4.104 -8.151 1.00 0.00 N ATOM 14 CA SER A 2 -14.058 -3.277 -6.922 1.00 0.00 C ATOM 15 C SER A 2 -12.954 -3.872 -6.047 1.00 0.00 C ATOM 16 O SER A 2 -12.312 -4.839 -6.409 1.00 0.00 O ATOM 17 CB SER A 2 -15.370 -3.257 -6.135 1.00 0.00 C ATOM 18 OG SER A 2 -15.834 -4.590 -5.962 1.00 0.00 O ATOM 0 H SER A 2 -15.181 -4.412 -8.339 1.00 0.00 H new ATOM 0 HA SER A 2 -13.786 -2.261 -7.208 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.218 -2.784 -5.165 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.117 -2.666 -6.665 1.00 0.00 H new ATOM 0 HG SER A 2 -16.674 -4.581 -5.457 1.00 0.00 H new ATOM 24 N MET A 3 -12.726 -3.300 -4.896 1.00 0.00 N ATOM 25 CA MET A 3 -11.665 -3.829 -3.994 1.00 0.00 C ATOM 26 C MET A 3 -12.270 -4.879 -3.059 1.00 0.00 C ATOM 27 O MET A 3 -11.733 -5.174 -2.009 1.00 0.00 O ATOM 28 CB MET A 3 -11.081 -2.685 -3.158 1.00 0.00 C ATOM 29 CG MET A 3 -11.166 -1.373 -3.943 1.00 0.00 C ATOM 30 SD MET A 3 -10.236 -0.088 -3.070 1.00 0.00 S ATOM 31 CE MET A 3 -10.132 1.089 -4.440 1.00 0.00 C ATOM 0 H MET A 3 -13.230 -2.487 -4.541 1.00 0.00 H new ATOM 0 HA MET A 3 -10.875 -4.281 -4.593 1.00 0.00 H new ATOM 0 HB2 MET A 3 -11.627 -2.593 -2.219 1.00 0.00 H new ATOM 0 HB3 MET A 3 -10.043 -2.901 -2.904 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.763 -1.510 -4.947 1.00 0.00 H new ATOM 0 HG3 MET A 3 -12.207 -1.071 -4.056 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.062 2.102 -4.045 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.248 0.872 -5.040 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.023 1.003 -5.062 1.00 0.00 H new ATOM 41 N THR A 4 -13.386 -5.445 -3.429 1.00 0.00 N ATOM 42 CA THR A 4 -14.024 -6.473 -2.560 1.00 0.00 C ATOM 43 C THR A 4 -13.310 -7.817 -2.746 1.00 0.00 C ATOM 44 O THR A 4 -12.299 -8.081 -2.124 1.00 0.00 O ATOM 45 CB THR A 4 -15.500 -6.611 -2.941 1.00 0.00 C ATOM 46 OG1 THR A 4 -16.219 -5.485 -2.454 1.00 0.00 O ATOM 47 CG2 THR A 4 -16.073 -7.888 -2.326 1.00 0.00 C ATOM 0 H THR A 4 -13.883 -5.240 -4.296 1.00 0.00 H new ATOM 0 HA THR A 4 -13.947 -6.170 -1.516 1.00 0.00 H new ATOM 0 HB THR A 4 -15.592 -6.662 -4.026 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.164 -5.570 -2.698 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.124 -7.983 -2.599 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.521 -8.751 -2.699 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.983 -7.841 -1.241 1.00 0.00 H new ATOM 55 N ASP A 5 -13.822 -8.668 -3.595 1.00 0.00 N ATOM 56 CA ASP A 5 -13.164 -9.989 -3.811 1.00 0.00 C ATOM 57 C ASP A 5 -11.683 -9.765 -4.116 1.00 0.00 C ATOM 58 O ASP A 5 -10.860 -10.641 -3.934 1.00 0.00 O ATOM 59 CB ASP A 5 -13.827 -10.706 -4.988 1.00 0.00 C ATOM 60 CG ASP A 5 -15.324 -10.864 -4.711 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.058 -9.932 -4.989 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.709 -11.915 -4.226 1.00 0.00 O ATOM 0 H ASP A 5 -14.665 -8.506 -4.146 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.266 -10.601 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.674 -10.139 -5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.369 -11.684 -5.137 1.00 0.00 H new ATOM 67 N GLN A 6 -11.340 -8.595 -4.577 1.00 0.00 N ATOM 68 CA GLN A 6 -9.914 -8.305 -4.894 1.00 0.00 C ATOM 69 C GLN A 6 -9.091 -8.348 -3.606 1.00 0.00 C ATOM 70 O GLN A 6 -8.052 -8.976 -3.541 1.00 0.00 O ATOM 71 CB GLN A 6 -9.810 -6.913 -5.517 1.00 0.00 C ATOM 72 CG GLN A 6 -8.459 -6.767 -6.218 1.00 0.00 C ATOM 73 CD GLN A 6 -8.672 -6.174 -7.611 1.00 0.00 C ATOM 74 OE1 GLN A 6 -8.653 -6.884 -8.596 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.875 -4.891 -7.736 1.00 0.00 N ATOM 0 H GLN A 6 -11.987 -7.825 -4.748 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.534 -9.049 -5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.620 -6.761 -6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.916 -6.149 -4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.801 -6.124 -5.634 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.970 -7.738 -6.295 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.891 -4.294 -6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.018 -4.485 -8.661 1.00 0.00 H new ATOM 84 N GLN A 7 -9.548 -7.681 -2.581 1.00 0.00 N ATOM 85 CA GLN A 7 -8.798 -7.676 -1.294 1.00 0.00 C ATOM 86 C GLN A 7 -8.887 -9.061 -0.646 1.00 0.00 C ATOM 87 O GLN A 7 -8.098 -9.408 0.209 1.00 0.00 O ATOM 88 CB GLN A 7 -9.410 -6.622 -0.362 1.00 0.00 C ATOM 89 CG GLN A 7 -8.977 -6.886 1.084 1.00 0.00 C ATOM 90 CD GLN A 7 -10.024 -7.762 1.776 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.686 -8.726 2.435 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.290 -7.467 1.653 1.00 0.00 N ATOM 0 H GLN A 7 -10.411 -7.138 -2.580 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.751 -7.435 -1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.093 -5.625 -0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -10.497 -6.647 -0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.005 -7.380 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.864 -5.943 1.619 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.574 -6.658 1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.995 -8.045 2.110 1.00 0.00 H new ATOM 101 N ALA A 8 -9.842 -9.855 -1.047 1.00 0.00 N ATOM 102 CA ALA A 8 -9.975 -11.214 -0.452 1.00 0.00 C ATOM 103 C ALA A 8 -8.881 -12.124 -1.011 1.00 0.00 C ATOM 104 O ALA A 8 -8.162 -12.771 -0.275 1.00 0.00 O ATOM 105 CB ALA A 8 -11.348 -11.791 -0.807 1.00 0.00 C ATOM 0 H ALA A 8 -10.534 -9.622 -1.759 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.875 -11.149 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.448 -12.786 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.129 -11.142 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.446 -11.857 -1.891 1.00 0.00 H new ATOM 111 N GLU A 9 -8.749 -12.179 -2.307 1.00 0.00 N ATOM 112 CA GLU A 9 -7.702 -13.048 -2.914 1.00 0.00 C ATOM 113 C GLU A 9 -6.318 -12.513 -2.547 1.00 0.00 C ATOM 114 O GLU A 9 -5.406 -13.263 -2.256 1.00 0.00 O ATOM 115 CB GLU A 9 -7.862 -13.045 -4.436 1.00 0.00 C ATOM 116 CG GLU A 9 -7.719 -14.472 -4.966 1.00 0.00 C ATOM 117 CD GLU A 9 -6.307 -14.672 -5.516 1.00 0.00 C ATOM 118 OE1 GLU A 9 -5.692 -13.686 -5.886 1.00 0.00 O ATOM 119 OE2 GLU A 9 -5.864 -15.808 -5.557 1.00 0.00 O ATOM 0 H GLU A 9 -9.321 -11.659 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.809 -14.065 -2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.836 -12.640 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.110 -12.400 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.915 -15.189 -4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.455 -14.656 -5.748 1.00 0.00 H new ATOM 126 N ALA A 10 -6.151 -11.220 -2.563 1.00 0.00 N ATOM 127 CA ALA A 10 -4.825 -10.631 -2.221 1.00 0.00 C ATOM 128 C ALA A 10 -4.436 -11.027 -0.794 1.00 0.00 C ATOM 129 O ALA A 10 -3.426 -11.667 -0.572 1.00 0.00 O ATOM 130 CB ALA A 10 -4.905 -9.106 -2.324 1.00 0.00 C ATOM 0 H ALA A 10 -6.877 -10.544 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.073 -11.006 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.936 -8.673 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.177 -8.824 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.659 -8.733 -1.630 1.00 0.00 H new ATOM 136 N ARG A 11 -5.223 -10.648 0.175 1.00 0.00 N ATOM 137 CA ARG A 11 -4.892 -11.000 1.586 1.00 0.00 C ATOM 138 C ARG A 11 -4.718 -12.515 1.711 1.00 0.00 C ATOM 139 O ARG A 11 -3.976 -12.997 2.544 1.00 0.00 O ATOM 140 CB ARG A 11 -6.025 -10.539 2.505 1.00 0.00 C ATOM 141 CG ARG A 11 -6.064 -9.009 2.538 1.00 0.00 C ATOM 142 CD ARG A 11 -6.086 -8.530 3.992 1.00 0.00 C ATOM 143 NE ARG A 11 -4.742 -8.735 4.602 1.00 0.00 N ATOM 144 CZ ARG A 11 -4.605 -9.534 5.625 1.00 0.00 C ATOM 145 NH1 ARG A 11 -4.354 -10.801 5.434 1.00 0.00 N ATOM 146 NH2 ARG A 11 -4.719 -9.067 6.838 1.00 0.00 N ATOM 0 H ARG A 11 -6.081 -10.110 0.052 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.965 -10.505 1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.978 -10.930 2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.875 -10.931 3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.194 -8.601 2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.946 -8.646 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.360 -7.476 4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.841 -9.079 4.556 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.929 -8.251 4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.265 -11.166 4.486 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.247 -11.426 6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.915 -8.077 6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.612 -9.692 7.637 1.00 0.00 H new ATOM 160 N ALA A 12 -5.394 -13.271 0.891 1.00 0.00 N ATOM 161 CA ALA A 12 -5.263 -14.754 0.968 1.00 0.00 C ATOM 162 C ALA A 12 -3.787 -15.142 0.867 1.00 0.00 C ATOM 163 O ALA A 12 -3.251 -15.808 1.730 1.00 0.00 O ATOM 164 CB ALA A 12 -6.042 -15.395 -0.182 1.00 0.00 C ATOM 0 H ALA A 12 -6.031 -12.927 0.172 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.665 -15.106 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.947 -16.479 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.094 -15.119 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.641 -15.044 -1.133 1.00 0.00 H new ATOM 170 N PHE A 13 -3.125 -14.732 -0.180 1.00 0.00 N ATOM 171 CA PHE A 13 -1.683 -15.078 -0.333 1.00 0.00 C ATOM 172 C PHE A 13 -0.861 -14.287 0.689 1.00 0.00 C ATOM 173 O PHE A 13 0.194 -14.714 1.114 1.00 0.00 O ATOM 174 CB PHE A 13 -1.220 -14.727 -1.751 1.00 0.00 C ATOM 175 CG PHE A 13 0.290 -14.744 -1.810 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.996 -15.868 -1.369 1.00 0.00 C ATOM 177 CD2 PHE A 13 0.983 -13.631 -2.303 1.00 0.00 C ATOM 178 CE1 PHE A 13 2.396 -15.881 -1.420 1.00 0.00 C ATOM 179 CE2 PHE A 13 2.381 -13.644 -2.355 1.00 0.00 C ATOM 180 CZ PHE A 13 3.088 -14.770 -1.914 1.00 0.00 C ATOM 0 H PHE A 13 -3.520 -14.173 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.543 -16.146 -0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.630 -15.441 -2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.594 -13.743 -2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.462 -16.726 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.438 -12.763 -2.643 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.941 -16.748 -1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.915 -12.786 -2.735 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.167 -14.780 -1.955 1.00 0.00 H new ATOM 190 N LEU A 14 -1.335 -13.137 1.086 1.00 0.00 N ATOM 191 CA LEU A 14 -0.577 -12.324 2.080 1.00 0.00 C ATOM 192 C LEU A 14 -0.963 -12.758 3.496 1.00 0.00 C ATOM 193 O LEU A 14 -1.746 -12.109 4.162 1.00 0.00 O ATOM 194 CB LEU A 14 -0.912 -10.841 1.892 1.00 0.00 C ATOM 195 CG LEU A 14 -0.657 -10.440 0.437 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.531 -9.236 0.076 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.816 -10.065 0.263 1.00 0.00 C ATOM 0 H LEU A 14 -2.212 -12.726 0.766 1.00 0.00 H new ATOM 0 HA LEU A 14 0.492 -12.476 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.954 -10.657 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.303 -10.232 2.560 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.902 -11.277 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.348 -8.952 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.582 -9.499 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.286 -8.399 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.999 -9.779 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.058 -9.228 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.442 -10.920 0.519 1.00 0.00 H new ATOM 209 N SER A 15 -0.421 -13.851 3.961 1.00 0.00 N ATOM 210 CA SER A 15 -0.759 -14.324 5.335 1.00 0.00 C ATOM 211 C SER A 15 -0.520 -13.192 6.336 1.00 0.00 C ATOM 212 O SER A 15 0.020 -12.159 6.001 1.00 0.00 O ATOM 213 CB SER A 15 0.123 -15.519 5.695 1.00 0.00 C ATOM 214 OG SER A 15 -0.438 -16.702 5.140 1.00 0.00 O ATOM 0 H SER A 15 0.240 -14.436 3.450 1.00 0.00 H new ATOM 0 HA SER A 15 -1.806 -14.624 5.369 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.133 -15.368 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.202 -15.614 6.778 1.00 0.00 H new ATOM 0 HG SER A 15 0.127 -17.470 5.368 1.00 0.00 H new ATOM 220 N GLU A 16 -0.921 -13.378 7.565 1.00 0.00 N ATOM 221 CA GLU A 16 -0.718 -12.308 8.584 1.00 0.00 C ATOM 222 C GLU A 16 0.735 -12.321 9.067 1.00 0.00 C ATOM 223 O GLU A 16 1.107 -11.586 9.960 1.00 0.00 O ATOM 224 CB GLU A 16 -1.650 -12.552 9.772 1.00 0.00 C ATOM 225 CG GLU A 16 -1.933 -11.224 10.478 1.00 0.00 C ATOM 226 CD GLU A 16 -1.841 -11.420 11.993 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.010 -12.205 12.421 1.00 0.00 O ATOM 228 OE2 GLU A 16 -2.602 -10.781 12.701 1.00 0.00 O ATOM 0 H GLU A 16 -1.379 -14.223 7.907 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.941 -11.339 8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.583 -13.001 9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.194 -13.256 10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.217 -10.468 10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.924 -10.860 10.207 1.00 0.00 H new ATOM 235 N GLU A 17 1.561 -13.148 8.487 1.00 0.00 N ATOM 236 CA GLU A 17 2.986 -13.203 8.920 1.00 0.00 C ATOM 237 C GLU A 17 3.781 -12.102 8.212 1.00 0.00 C ATOM 238 O GLU A 17 4.552 -11.389 8.824 1.00 0.00 O ATOM 239 CB GLU A 17 3.577 -14.567 8.557 1.00 0.00 C ATOM 240 CG GLU A 17 3.858 -15.358 9.836 1.00 0.00 C ATOM 241 CD GLU A 17 4.935 -16.411 9.560 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.822 -17.097 8.559 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.854 -16.510 10.357 1.00 0.00 O ATOM 0 H GLU A 17 1.311 -13.787 7.733 1.00 0.00 H new ATOM 0 HA GLU A 17 3.041 -13.055 9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.884 -15.118 7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.497 -14.437 7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.187 -14.685 10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.945 -15.840 10.186 1.00 0.00 H new ATOM 250 N MET A 18 3.606 -11.964 6.927 1.00 0.00 N ATOM 251 CA MET A 18 4.359 -10.915 6.179 1.00 0.00 C ATOM 252 C MET A 18 3.912 -9.522 6.634 1.00 0.00 C ATOM 253 O MET A 18 4.723 -8.646 6.858 1.00 0.00 O ATOM 254 CB MET A 18 4.112 -11.068 4.674 1.00 0.00 C ATOM 255 CG MET A 18 2.665 -11.497 4.422 1.00 0.00 C ATOM 256 SD MET A 18 2.622 -13.256 3.999 1.00 0.00 S ATOM 257 CE MET A 18 3.280 -13.105 2.320 1.00 0.00 C ATOM 0 H MET A 18 2.975 -12.531 6.361 1.00 0.00 H new ATOM 0 HA MET A 18 5.423 -11.033 6.383 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.314 -10.125 4.166 1.00 0.00 H new ATOM 0 HB3 MET A 18 4.797 -11.807 4.258 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.059 -11.310 5.309 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.235 -10.907 3.613 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.697 -13.730 1.643 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.219 -12.066 1.997 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.321 -13.429 2.307 1.00 0.00 H new ATOM 267 N ILE A 19 2.631 -9.306 6.774 1.00 0.00 N ATOM 268 CA ILE A 19 2.148 -7.966 7.214 1.00 0.00 C ATOM 269 C ILE A 19 2.486 -7.766 8.690 1.00 0.00 C ATOM 270 O ILE A 19 2.697 -6.660 9.145 1.00 0.00 O ATOM 271 CB ILE A 19 0.634 -7.879 7.026 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.279 -8.229 5.581 1.00 0.00 C ATOM 273 CG2 ILE A 19 0.160 -6.459 7.334 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.268 -9.654 5.526 1.00 0.00 C ATOM 0 H ILE A 19 1.901 -9.997 6.603 1.00 0.00 H new ATOM 0 HA ILE A 19 2.632 -7.193 6.618 1.00 0.00 H new ATOM 0 HB ILE A 19 0.145 -8.580 7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.462 -7.528 5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.161 -8.141 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.920 -6.399 7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.412 -6.207 8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.650 -5.757 6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.522 -9.907 4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.487 -10.348 5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.160 -9.725 6.148 1.00 0.00 H new ATOM 286 N ALA A 20 2.542 -8.830 9.441 1.00 0.00 N ATOM 287 CA ALA A 20 2.866 -8.704 10.887 1.00 0.00 C ATOM 288 C ALA A 20 4.174 -7.923 11.048 1.00 0.00 C ATOM 289 O ALA A 20 4.376 -7.225 12.021 1.00 0.00 O ATOM 290 CB ALA A 20 3.022 -10.100 11.490 1.00 0.00 C ATOM 0 H ALA A 20 2.377 -9.782 9.114 1.00 0.00 H new ATOM 0 HA ALA A 20 2.064 -8.174 11.401 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.260 -10.014 12.550 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.091 -10.654 11.371 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.827 -10.629 10.980 1.00 0.00 H new ATOM 296 N GLU A 21 5.066 -8.040 10.102 1.00 0.00 N ATOM 297 CA GLU A 21 6.360 -7.305 10.202 1.00 0.00 C ATOM 298 C GLU A 21 6.235 -5.937 9.525 1.00 0.00 C ATOM 299 O GLU A 21 7.003 -5.033 9.787 1.00 0.00 O ATOM 300 CB GLU A 21 7.461 -8.115 9.514 1.00 0.00 C ATOM 301 CG GLU A 21 8.802 -7.392 9.671 1.00 0.00 C ATOM 302 CD GLU A 21 9.625 -8.076 10.763 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.257 -9.171 11.157 1.00 0.00 O ATOM 304 OE2 GLU A 21 10.610 -7.495 11.187 1.00 0.00 O ATOM 0 H GLU A 21 4.955 -8.612 9.265 1.00 0.00 H new ATOM 0 HA GLU A 21 6.612 -7.164 11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.520 -9.112 9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.226 -8.243 8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.347 -7.406 8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.635 -6.346 9.928 1.00 0.00 H new ATOM 311 N PHE A 22 5.283 -5.780 8.646 1.00 0.00 N ATOM 312 CA PHE A 22 5.123 -4.472 7.945 1.00 0.00 C ATOM 313 C PHE A 22 4.323 -3.502 8.818 1.00 0.00 C ATOM 314 O PHE A 22 4.329 -2.308 8.596 1.00 0.00 O ATOM 315 CB PHE A 22 4.385 -4.691 6.623 1.00 0.00 C ATOM 316 CG PHE A 22 5.376 -4.692 5.484 1.00 0.00 C ATOM 317 CD1 PHE A 22 6.131 -5.839 5.216 1.00 0.00 C ATOM 318 CD2 PHE A 22 5.539 -3.546 4.695 1.00 0.00 C ATOM 319 CE1 PHE A 22 7.050 -5.841 4.158 1.00 0.00 C ATOM 320 CE2 PHE A 22 6.458 -3.549 3.638 1.00 0.00 C ATOM 321 CZ PHE A 22 7.212 -4.696 3.369 1.00 0.00 C ATOM 0 H PHE A 22 4.609 -6.499 8.383 1.00 0.00 H new ATOM 0 HA PHE A 22 6.109 -4.049 7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.845 -5.637 6.649 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.645 -3.905 6.474 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.006 -6.723 5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.956 -2.660 4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.633 -6.726 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.585 -2.665 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.919 -4.698 2.553 1.00 0.00 H new ATOM 331 N LYS A 23 3.629 -4.000 9.804 1.00 0.00 N ATOM 332 CA LYS A 23 2.828 -3.095 10.678 1.00 0.00 C ATOM 333 C LYS A 23 3.745 -2.040 11.303 1.00 0.00 C ATOM 334 O LYS A 23 3.293 -1.031 11.808 1.00 0.00 O ATOM 335 CB LYS A 23 2.160 -3.907 11.790 1.00 0.00 C ATOM 336 CG LYS A 23 3.109 -5.009 12.266 1.00 0.00 C ATOM 337 CD LYS A 23 3.295 -4.903 13.781 1.00 0.00 C ATOM 338 CE LYS A 23 4.747 -4.538 14.092 1.00 0.00 C ATOM 339 NZ LYS A 23 4.809 -3.817 15.395 1.00 0.00 N ATOM 0 H LYS A 23 3.581 -4.991 10.042 1.00 0.00 H new ATOM 0 HA LYS A 23 2.062 -2.604 10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.898 -3.254 12.623 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.231 -4.346 11.425 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.706 -5.988 12.006 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.072 -4.917 11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.624 -4.147 14.189 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.037 -5.849 14.257 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.359 -5.439 14.133 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.154 -3.912 13.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.796 -3.568 15.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.238 -2.950 15.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.436 -4.429 16.149 1.00 0.00 H new ATOM 353 N ALA A 24 5.028 -2.266 11.276 1.00 0.00 N ATOM 354 CA ALA A 24 5.973 -1.280 11.873 1.00 0.00 C ATOM 355 C ALA A 24 5.733 0.105 11.265 1.00 0.00 C ATOM 356 O ALA A 24 5.137 0.967 11.880 1.00 0.00 O ATOM 357 CB ALA A 24 7.410 -1.720 11.586 1.00 0.00 C ATOM 0 H ALA A 24 5.465 -3.092 10.866 1.00 0.00 H new ATOM 0 HA ALA A 24 5.811 -1.231 12.950 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.104 -1.001 12.021 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.584 -2.703 12.024 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.567 -1.770 10.509 1.00 0.00 H new ATOM 363 N ALA A 25 6.199 0.329 10.066 1.00 0.00 N ATOM 364 CA ALA A 25 6.005 1.663 9.427 1.00 0.00 C ATOM 365 C ALA A 25 4.570 1.793 8.911 1.00 0.00 C ATOM 366 O ALA A 25 3.984 2.857 8.945 1.00 0.00 O ATOM 367 CB ALA A 25 6.977 1.810 8.254 1.00 0.00 C ATOM 0 H ALA A 25 6.705 -0.353 9.502 1.00 0.00 H new ATOM 0 HA ALA A 25 6.194 2.443 10.165 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.837 2.784 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.001 1.726 8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.786 1.025 7.523 1.00 0.00 H new ATOM 373 N PHE A 26 4.002 0.725 8.426 1.00 0.00 N ATOM 374 CA PHE A 26 2.609 0.798 7.900 1.00 0.00 C ATOM 375 C PHE A 26 1.627 1.022 9.054 1.00 0.00 C ATOM 376 O PHE A 26 0.999 2.057 9.155 1.00 0.00 O ATOM 377 CB PHE A 26 2.264 -0.513 7.188 1.00 0.00 C ATOM 378 CG PHE A 26 1.147 -0.280 6.194 1.00 0.00 C ATOM 379 CD1 PHE A 26 0.347 0.869 6.287 1.00 0.00 C ATOM 380 CD2 PHE A 26 0.910 -1.215 5.180 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.686 1.080 5.366 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.124 -1.004 4.260 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.922 0.143 4.354 1.00 0.00 C ATOM 0 H PHE A 26 4.440 -0.194 8.371 1.00 0.00 H new ATOM 0 HA PHE A 26 2.535 1.629 7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.144 -0.901 6.675 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.963 -1.265 7.917 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.528 1.591 7.069 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.525 -2.100 5.107 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.300 1.965 5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.306 -1.726 3.478 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.720 0.304 3.645 1.00 0.00 H new ATOM 393 N ASP A 27 1.484 0.056 9.917 1.00 0.00 N ATOM 394 CA ASP A 27 0.536 0.205 11.060 1.00 0.00 C ATOM 395 C ASP A 27 0.840 1.492 11.831 1.00 0.00 C ATOM 396 O ASP A 27 0.018 1.982 12.579 1.00 0.00 O ATOM 397 CB ASP A 27 0.677 -0.994 12.000 1.00 0.00 C ATOM 398 CG ASP A 27 -0.673 -1.295 12.653 1.00 0.00 C ATOM 399 OD1 ASP A 27 -1.282 -0.369 13.164 1.00 0.00 O ATOM 400 OD2 ASP A 27 -1.077 -2.446 12.631 1.00 0.00 O ATOM 0 H ASP A 27 1.983 -0.833 9.882 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.482 0.252 10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.026 -1.865 11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.424 -0.783 12.765 1.00 0.00 H new ATOM 405 N MET A 28 2.011 2.041 11.661 1.00 0.00 N ATOM 406 CA MET A 28 2.358 3.293 12.393 1.00 0.00 C ATOM 407 C MET A 28 1.172 4.260 12.343 1.00 0.00 C ATOM 408 O MET A 28 0.859 4.922 13.312 1.00 0.00 O ATOM 409 CB MET A 28 3.579 3.947 11.740 1.00 0.00 C ATOM 410 CG MET A 28 4.552 4.407 12.827 1.00 0.00 C ATOM 411 SD MET A 28 6.251 4.062 12.304 1.00 0.00 S ATOM 412 CE MET A 28 6.868 3.482 13.903 1.00 0.00 C ATOM 0 H MET A 28 2.742 1.678 11.048 1.00 0.00 H new ATOM 0 HA MET A 28 2.587 3.054 13.431 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.071 3.239 11.072 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.268 4.796 11.132 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.427 5.474 13.014 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.337 3.892 13.764 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.919 3.210 13.810 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.762 4.275 14.643 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.294 2.611 14.220 1.00 0.00 H new ATOM 422 N PHE A 29 0.506 4.344 11.224 1.00 0.00 N ATOM 423 CA PHE A 29 -0.662 5.266 11.121 1.00 0.00 C ATOM 424 C PHE A 29 -1.935 4.520 11.522 1.00 0.00 C ATOM 425 O PHE A 29 -2.445 4.685 12.611 1.00 0.00 O ATOM 426 CB PHE A 29 -0.797 5.765 9.682 1.00 0.00 C ATOM 427 CG PHE A 29 0.447 6.528 9.295 1.00 0.00 C ATOM 428 CD1 PHE A 29 1.615 5.835 8.960 1.00 0.00 C ATOM 429 CD2 PHE A 29 0.433 7.927 9.275 1.00 0.00 C ATOM 430 CE1 PHE A 29 2.769 6.540 8.603 1.00 0.00 C ATOM 431 CE2 PHE A 29 1.587 8.634 8.918 1.00 0.00 C ATOM 432 CZ PHE A 29 2.756 7.940 8.581 1.00 0.00 C ATOM 0 H PHE A 29 0.719 3.816 10.378 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.512 6.116 11.786 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.945 4.923 9.006 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.674 6.406 9.589 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.626 4.755 8.977 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.469 8.462 9.535 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.670 6.004 8.344 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.576 9.714 8.902 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.647 8.484 8.304 1.00 0.00 H new ATOM 442 N ASP A 30 -2.450 3.698 10.650 1.00 0.00 N ATOM 443 CA ASP A 30 -3.688 2.939 10.981 1.00 0.00 C ATOM 444 C ASP A 30 -3.539 2.305 12.365 1.00 0.00 C ATOM 445 O ASP A 30 -2.647 1.516 12.602 1.00 0.00 O ATOM 446 CB ASP A 30 -3.907 1.842 9.937 1.00 0.00 C ATOM 447 CG ASP A 30 -5.060 0.940 10.377 1.00 0.00 C ATOM 448 OD1 ASP A 30 -6.191 1.395 10.337 1.00 0.00 O ATOM 449 OD2 ASP A 30 -4.792 -0.192 10.748 1.00 0.00 O ATOM 0 H ASP A 30 -2.067 3.519 9.722 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.543 3.616 10.981 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.130 2.288 8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.997 1.254 9.816 1.00 0.00 H new ATOM 454 N ALA A 31 -4.404 2.645 13.281 1.00 0.00 N ATOM 455 CA ALA A 31 -4.305 2.060 14.648 1.00 0.00 C ATOM 456 C ALA A 31 -5.709 1.784 15.193 1.00 0.00 C ATOM 457 O ALA A 31 -5.959 0.760 15.797 1.00 0.00 O ATOM 458 CB ALA A 31 -3.582 3.044 15.571 1.00 0.00 C ATOM 0 H ALA A 31 -5.173 3.301 13.143 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.746 1.125 14.602 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.509 2.618 16.571 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.581 3.237 15.185 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.141 3.979 15.615 1.00 0.00 H new ATOM 464 N ASP A 32 -6.626 2.689 14.989 1.00 0.00 N ATOM 465 CA ASP A 32 -8.009 2.475 15.502 1.00 0.00 C ATOM 466 C ASP A 32 -8.931 2.072 14.349 1.00 0.00 C ATOM 467 O ASP A 32 -10.050 1.645 14.560 1.00 0.00 O ATOM 468 CB ASP A 32 -8.522 3.768 16.140 1.00 0.00 C ATOM 469 CG ASP A 32 -7.507 4.265 17.173 1.00 0.00 C ATOM 470 OD1 ASP A 32 -6.384 3.791 17.146 1.00 0.00 O ATOM 471 OD2 ASP A 32 -7.872 5.111 17.972 1.00 0.00 O ATOM 0 H ASP A 32 -6.478 3.566 14.490 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.998 1.680 16.248 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.678 4.527 15.374 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.486 3.593 16.617 1.00 0.00 H new ATOM 476 N GLY A 33 -8.475 2.201 13.133 1.00 0.00 N ATOM 477 CA GLY A 33 -9.332 1.821 11.975 1.00 0.00 C ATOM 478 C GLY A 33 -9.552 3.038 11.073 1.00 0.00 C ATOM 479 O GLY A 33 -10.659 3.330 10.667 1.00 0.00 O ATOM 0 H GLY A 33 -7.548 2.552 12.892 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.860 1.018 11.409 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.290 1.441 12.329 1.00 0.00 H new ATOM 483 N GLY A 34 -8.506 3.752 10.756 1.00 0.00 N ATOM 484 CA GLY A 34 -8.659 4.947 9.880 1.00 0.00 C ATOM 485 C GLY A 34 -7.353 5.742 9.870 1.00 0.00 C ATOM 486 O GLY A 34 -7.350 6.954 9.951 1.00 0.00 O ATOM 0 H GLY A 34 -7.553 3.559 11.066 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.917 4.638 8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.476 5.573 10.240 1.00 0.00 H new ATOM 490 N GLY A 35 -6.240 5.067 9.772 1.00 0.00 N ATOM 491 CA GLY A 35 -4.935 5.786 9.759 1.00 0.00 C ATOM 492 C GLY A 35 -4.203 5.497 8.447 1.00 0.00 C ATOM 493 O GLY A 35 -3.005 5.296 8.426 1.00 0.00 O ATOM 0 H GLY A 35 -6.178 4.051 9.701 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.098 6.858 9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.325 5.469 10.605 1.00 0.00 H new ATOM 497 N ASP A 36 -4.913 5.478 7.352 1.00 0.00 N ATOM 498 CA ASP A 36 -4.252 5.205 6.045 1.00 0.00 C ATOM 499 C ASP A 36 -3.099 6.192 5.851 1.00 0.00 C ATOM 500 O ASP A 36 -2.865 7.053 6.676 1.00 0.00 O ATOM 501 CB ASP A 36 -5.269 5.378 4.914 1.00 0.00 C ATOM 502 CG ASP A 36 -6.614 4.785 5.340 1.00 0.00 C ATOM 503 OD1 ASP A 36 -6.612 3.695 5.889 1.00 0.00 O ATOM 504 OD2 ASP A 36 -7.622 5.431 5.109 1.00 0.00 O ATOM 0 H ASP A 36 -5.919 5.639 7.306 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.868 4.185 6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.385 6.435 4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.912 4.884 4.011 1.00 0.00 H new ATOM 509 N ILE A 37 -2.378 6.078 4.769 1.00 0.00 N ATOM 510 CA ILE A 37 -1.245 7.018 4.535 1.00 0.00 C ATOM 511 C ILE A 37 -1.532 7.859 3.288 1.00 0.00 C ATOM 512 O ILE A 37 -2.061 7.372 2.309 1.00 0.00 O ATOM 513 CB ILE A 37 0.046 6.223 4.325 1.00 0.00 C ATOM 514 CG1 ILE A 37 -0.274 4.933 3.566 1.00 0.00 C ATOM 515 CG2 ILE A 37 0.665 5.878 5.682 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.020 4.169 3.284 1.00 0.00 C ATOM 0 H ILE A 37 -2.523 5.379 4.041 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.132 7.672 5.400 1.00 0.00 H new ATOM 0 HB ILE A 37 0.753 6.821 3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.954 4.314 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.782 5.166 2.630 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.584 5.312 5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.890 6.797 6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.038 5.279 6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.790 3.251 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.684 4.788 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.510 3.922 4.226 1.00 0.00 H new ATOM 528 N SER A 38 -1.188 9.118 3.317 1.00 0.00 N ATOM 529 CA SER A 38 -1.443 9.985 2.132 1.00 0.00 C ATOM 530 C SER A 38 -0.201 9.999 1.237 1.00 0.00 C ATOM 531 O SER A 38 0.760 9.298 1.485 1.00 0.00 O ATOM 532 CB SER A 38 -1.752 11.408 2.597 1.00 0.00 C ATOM 533 OG SER A 38 -1.877 11.423 4.013 1.00 0.00 O ATOM 0 H SER A 38 -0.742 9.583 4.108 1.00 0.00 H new ATOM 0 HA SER A 38 -2.293 9.595 1.572 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.958 12.086 2.283 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.674 11.762 2.135 1.00 0.00 H new ATOM 0 HG SER A 38 -2.073 12.335 4.314 1.00 0.00 H new ATOM 539 N THR A 39 -0.209 10.792 0.201 1.00 0.00 N ATOM 540 CA THR A 39 0.976 10.846 -0.702 1.00 0.00 C ATOM 541 C THR A 39 2.101 11.623 -0.014 1.00 0.00 C ATOM 542 O THR A 39 3.223 11.649 -0.479 1.00 0.00 O ATOM 543 CB THR A 39 0.599 11.546 -2.010 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.303 12.609 -1.736 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.064 10.541 -2.953 1.00 0.00 C ATOM 0 H THR A 39 -0.983 11.404 -0.059 1.00 0.00 H new ATOM 0 HA THR A 39 1.310 9.832 -0.921 1.00 0.00 H new ATOM 0 HB THR A 39 1.497 11.946 -2.481 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.543 13.058 -2.573 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.333 11.039 -3.885 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.630 9.727 -3.163 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.962 10.140 -2.484 1.00 0.00 H new ATOM 553 N LYS A 40 1.809 12.254 1.090 1.00 0.00 N ATOM 554 CA LYS A 40 2.861 13.027 1.808 1.00 0.00 C ATOM 555 C LYS A 40 3.693 12.071 2.664 1.00 0.00 C ATOM 556 O LYS A 40 4.876 11.897 2.445 1.00 0.00 O ATOM 557 CB LYS A 40 2.200 14.076 2.703 1.00 0.00 C ATOM 558 CG LYS A 40 3.270 15.001 3.282 1.00 0.00 C ATOM 559 CD LYS A 40 2.599 16.181 3.988 1.00 0.00 C ATOM 560 CE LYS A 40 3.236 16.379 5.364 1.00 0.00 C ATOM 561 NZ LYS A 40 2.842 17.708 5.908 1.00 0.00 N ATOM 0 H LYS A 40 0.887 12.268 1.526 1.00 0.00 H new ATOM 0 HA LYS A 40 3.508 13.526 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.476 14.655 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.651 13.588 3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.898 14.453 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.922 15.363 2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.708 17.086 3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.530 15.996 4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.916 15.588 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.321 16.313 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.275 17.842 6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.168 18.457 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.807 17.754 5.996 1.00 0.00 H new ATOM 575 N GLU A 41 3.086 11.443 3.632 1.00 0.00 N ATOM 576 CA GLU A 41 3.844 10.494 4.495 1.00 0.00 C ATOM 577 C GLU A 41 4.216 9.261 3.670 1.00 0.00 C ATOM 578 O GLU A 41 5.243 8.648 3.879 1.00 0.00 O ATOM 579 CB GLU A 41 2.977 10.076 5.685 1.00 0.00 C ATOM 580 CG GLU A 41 2.319 11.315 6.296 1.00 0.00 C ATOM 581 CD GLU A 41 3.017 11.670 7.611 1.00 0.00 C ATOM 582 OE1 GLU A 41 4.182 11.337 7.749 1.00 0.00 O ATOM 583 OE2 GLU A 41 2.373 12.267 8.459 1.00 0.00 O ATOM 0 H GLU A 41 2.098 11.546 3.863 1.00 0.00 H new ATOM 0 HA GLU A 41 4.749 10.975 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.214 9.368 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.587 9.569 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.382 12.153 5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.260 11.127 6.474 1.00 0.00 H new ATOM 590 N LEU A 42 3.389 8.898 2.728 1.00 0.00 N ATOM 591 CA LEU A 42 3.695 7.711 1.883 1.00 0.00 C ATOM 592 C LEU A 42 5.031 7.931 1.173 1.00 0.00 C ATOM 593 O LEU A 42 5.784 7.005 0.943 1.00 0.00 O ATOM 594 CB LEU A 42 2.586 7.527 0.845 1.00 0.00 C ATOM 595 CG LEU A 42 3.004 6.470 -0.176 1.00 0.00 C ATOM 596 CD1 LEU A 42 1.772 5.689 -0.635 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.652 7.156 -1.381 1.00 0.00 C ATOM 0 H LEU A 42 2.514 9.373 2.507 1.00 0.00 H new ATOM 0 HA LEU A 42 3.756 6.820 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.661 7.225 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.386 8.473 0.342 1.00 0.00 H new ATOM 0 HG LEU A 42 3.718 5.785 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.070 4.935 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.309 5.202 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.057 6.373 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.951 6.404 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.937 7.841 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.530 7.713 -1.054 1.00 0.00 H new ATOM 609 N GLY A 43 5.333 9.153 0.828 1.00 0.00 N ATOM 610 CA GLY A 43 6.624 9.435 0.138 1.00 0.00 C ATOM 611 C GLY A 43 7.711 9.683 1.185 1.00 0.00 C ATOM 612 O GLY A 43 8.887 9.525 0.922 1.00 0.00 O ATOM 0 H GLY A 43 4.742 9.968 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.901 8.595 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.521 10.306 -0.510 1.00 0.00 H new ATOM 616 N THR A 44 7.326 10.065 2.372 1.00 0.00 N ATOM 617 CA THR A 44 8.335 10.320 3.438 1.00 0.00 C ATOM 618 C THR A 44 8.681 9.000 4.132 1.00 0.00 C ATOM 619 O THR A 44 9.613 8.920 4.907 1.00 0.00 O ATOM 620 CB THR A 44 7.761 11.304 4.463 1.00 0.00 C ATOM 621 OG1 THR A 44 6.834 12.167 3.819 1.00 0.00 O ATOM 622 CG2 THR A 44 8.897 12.130 5.069 1.00 0.00 C ATOM 0 H THR A 44 6.355 10.212 2.649 1.00 0.00 H new ATOM 0 HA THR A 44 9.235 10.746 2.995 1.00 0.00 H new ATOM 0 HB THR A 44 7.254 10.753 5.255 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.103 11.637 3.439 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.489 12.830 5.798 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.607 11.466 5.562 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.405 12.684 4.280 1.00 0.00 H new ATOM 630 N VAL A 45 7.937 7.963 3.857 1.00 0.00 N ATOM 631 CA VAL A 45 8.225 6.647 4.494 1.00 0.00 C ATOM 632 C VAL A 45 9.239 5.888 3.634 1.00 0.00 C ATOM 633 O VAL A 45 10.235 5.392 4.125 1.00 0.00 O ATOM 634 CB VAL A 45 6.928 5.839 4.610 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.254 4.370 4.887 1.00 0.00 C ATOM 636 CG2 VAL A 45 6.089 6.397 5.763 1.00 0.00 C ATOM 0 H VAL A 45 7.142 7.971 3.218 1.00 0.00 H new ATOM 0 HA VAL A 45 8.637 6.800 5.492 1.00 0.00 H new ATOM 0 HB VAL A 45 6.371 5.914 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.328 3.801 4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.855 3.970 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.812 4.291 5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.165 5.826 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.652 6.320 6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.852 7.443 5.568 1.00 0.00 H new ATOM 646 N MET A 46 9.001 5.801 2.353 1.00 0.00 N ATOM 647 CA MET A 46 9.958 5.083 1.466 1.00 0.00 C ATOM 648 C MET A 46 11.146 6.001 1.169 1.00 0.00 C ATOM 649 O MET A 46 12.203 5.558 0.766 1.00 0.00 O ATOM 650 CB MET A 46 9.261 4.708 0.156 1.00 0.00 C ATOM 651 CG MET A 46 8.720 3.279 0.253 1.00 0.00 C ATOM 652 SD MET A 46 7.434 3.036 -0.996 1.00 0.00 S ATOM 653 CE MET A 46 6.063 3.748 -0.051 1.00 0.00 C ATOM 0 H MET A 46 8.186 6.196 1.884 1.00 0.00 H new ATOM 0 HA MET A 46 10.307 4.175 1.959 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.446 5.403 -0.046 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.961 4.787 -0.676 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.527 2.562 0.104 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.314 3.099 1.248 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.394 4.281 -0.726 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.514 2.951 0.450 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.455 4.441 0.693 1.00 0.00 H new ATOM 663 N ARG A 47 10.977 7.279 1.373 1.00 0.00 N ATOM 664 CA ARG A 47 12.091 8.233 1.112 1.00 0.00 C ATOM 665 C ARG A 47 13.298 7.839 1.965 1.00 0.00 C ATOM 666 O ARG A 47 14.403 7.713 1.476 1.00 0.00 O ATOM 667 CB ARG A 47 11.641 9.651 1.481 1.00 0.00 C ATOM 668 CG ARG A 47 12.861 10.570 1.592 1.00 0.00 C ATOM 669 CD ARG A 47 12.401 12.028 1.653 1.00 0.00 C ATOM 670 NE ARG A 47 13.122 12.730 2.751 1.00 0.00 N ATOM 671 CZ ARG A 47 13.342 14.013 2.671 1.00 0.00 C ATOM 672 NH1 ARG A 47 12.340 14.839 2.535 1.00 0.00 N ATOM 673 NH2 ARG A 47 14.562 14.471 2.728 1.00 0.00 N ATOM 0 H ARG A 47 10.113 7.704 1.710 1.00 0.00 H new ATOM 0 HA ARG A 47 12.364 8.204 0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.954 10.033 0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.098 9.636 2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.436 10.322 2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.520 10.421 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.596 12.522 0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.325 12.074 1.822 1.00 0.00 H new ATOM 0 HE ARG A 47 13.444 12.207 3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.386 14.481 2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.511 15.843 2.472 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.345 13.826 2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.733 15.475 2.665 1.00 0.00 H new ATOM 687 N MET A 48 13.095 7.645 3.239 1.00 0.00 N ATOM 688 CA MET A 48 14.228 7.261 4.125 1.00 0.00 C ATOM 689 C MET A 48 14.853 5.958 3.620 1.00 0.00 C ATOM 690 O MET A 48 16.048 5.872 3.414 1.00 0.00 O ATOM 691 CB MET A 48 13.716 7.064 5.554 1.00 0.00 C ATOM 692 CG MET A 48 14.270 8.170 6.454 1.00 0.00 C ATOM 693 SD MET A 48 12.916 9.238 7.001 1.00 0.00 S ATOM 694 CE MET A 48 12.847 10.289 5.530 1.00 0.00 C ATOM 0 H MET A 48 12.192 7.736 3.705 1.00 0.00 H new ATOM 0 HA MET A 48 14.980 8.050 4.116 1.00 0.00 H new ATOM 0 HB2 MET A 48 12.626 7.083 5.567 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.022 6.088 5.930 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.774 7.733 7.316 1.00 0.00 H new ATOM 0 HG3 MET A 48 15.013 8.756 5.913 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.751 11.332 5.832 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.761 10.162 4.949 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.988 10.007 4.921 1.00 0.00 H new ATOM 704 N LEU A 49 14.057 4.942 3.418 1.00 0.00 N ATOM 705 CA LEU A 49 14.611 3.647 2.927 1.00 0.00 C ATOM 706 C LEU A 49 14.624 3.641 1.396 1.00 0.00 C ATOM 707 O LEU A 49 14.076 2.757 0.767 1.00 0.00 O ATOM 708 CB LEU A 49 13.740 2.490 3.426 1.00 0.00 C ATOM 709 CG LEU A 49 14.003 2.245 4.915 1.00 0.00 C ATOM 710 CD1 LEU A 49 15.509 2.133 5.161 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.439 3.410 5.729 1.00 0.00 C ATOM 0 H LEU A 49 13.049 4.953 3.572 1.00 0.00 H new ATOM 0 HA LEU A 49 15.627 3.528 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.687 2.721 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.958 1.587 2.856 1.00 0.00 H new ATOM 0 HG LEU A 49 13.518 1.318 5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.693 1.959 6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.911 1.302 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.997 3.058 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.625 3.237 6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.924 4.337 5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.365 3.488 5.557 1.00 0.00 H new ATOM 723 N GLY A 50 15.245 4.616 0.787 1.00 0.00 N ATOM 724 CA GLY A 50 15.286 4.650 -0.703 1.00 0.00 C ATOM 725 C GLY A 50 15.896 5.970 -1.180 1.00 0.00 C ATOM 726 O GLY A 50 17.071 6.223 -1.005 1.00 0.00 O ATOM 0 H GLY A 50 15.723 5.386 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 50 15.873 3.812 -1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.279 4.539 -1.105 1.00 0.00 H new ATOM 730 N GLN A 51 15.105 6.813 -1.787 1.00 0.00 N ATOM 731 CA GLN A 51 15.631 8.116 -2.285 1.00 0.00 C ATOM 732 C GLN A 51 14.579 9.180 -2.043 1.00 0.00 C ATOM 733 O GLN A 51 13.411 8.870 -1.920 1.00 0.00 O ATOM 734 CB GLN A 51 15.867 8.050 -3.796 1.00 0.00 C ATOM 735 CG GLN A 51 15.901 6.595 -4.274 1.00 0.00 C ATOM 736 CD GLN A 51 17.216 5.943 -3.846 1.00 0.00 C ATOM 737 OE1 GLN A 51 17.188 4.801 -3.216 1.00 0.00 O flip ATOM 738 NE2 GLN A 51 18.279 6.477 -4.089 1.00 0.00 N flip ATOM 0 H GLN A 51 14.112 6.654 -1.960 1.00 0.00 H new ATOM 0 HA GLN A 51 16.564 8.341 -1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 51 15.077 8.591 -4.317 1.00 0.00 H new ATOM 0 HB3 GLN A 51 16.807 8.542 -4.044 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.058 6.045 -3.856 1.00 0.00 H new ATOM 0 HG3 GLN A 51 15.801 6.556 -5.359 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.300 7.370 -4.582 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.151 6.033 -3.801 1.00 0.00 H new ATOM 747 N ASN A 52 14.934 10.433 -2.013 1.00 0.00 N ATOM 748 CA ASN A 52 13.855 11.419 -1.824 1.00 0.00 C ATOM 749 C ASN A 52 13.015 11.352 -3.099 1.00 0.00 C ATOM 750 O ASN A 52 13.547 11.462 -4.186 1.00 0.00 O ATOM 751 CB ASN A 52 14.448 12.821 -1.672 1.00 0.00 C ATOM 752 CG ASN A 52 15.296 12.882 -0.401 1.00 0.00 C ATOM 753 OD1 ASN A 52 14.797 13.193 0.662 1.00 0.00 O ATOM 754 ND2 ASN A 52 16.568 12.598 -0.465 1.00 0.00 N ATOM 0 H ASN A 52 15.881 10.799 -2.107 1.00 0.00 H new ATOM 0 HA ASN A 52 13.266 11.209 -0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.059 13.065 -2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.650 13.562 -1.625 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.142 12.637 0.377 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.988 12.337 -1.357 1.00 0.00 H new ATOM 761 N PRO A 53 11.737 11.175 -2.942 1.00 0.00 N ATOM 762 CA PRO A 53 10.817 11.093 -4.078 1.00 0.00 C ATOM 763 C PRO A 53 10.236 12.471 -4.408 1.00 0.00 C ATOM 764 O PRO A 53 10.582 13.466 -3.804 1.00 0.00 O ATOM 765 CB PRO A 53 9.732 10.157 -3.551 1.00 0.00 C ATOM 766 CG PRO A 53 9.782 10.253 -2.003 1.00 0.00 C ATOM 767 CD PRO A 53 11.090 10.974 -1.639 1.00 0.00 C ATOM 0 HA PRO A 53 11.286 10.745 -4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.751 10.449 -3.926 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.908 9.134 -3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.920 10.802 -1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.751 9.260 -1.554 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.900 11.921 -1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.708 10.374 -0.971 1.00 0.00 H new ATOM 775 N THR A 54 9.349 12.528 -5.362 1.00 0.00 N ATOM 776 CA THR A 54 8.733 13.831 -5.739 1.00 0.00 C ATOM 777 C THR A 54 7.290 13.868 -5.236 1.00 0.00 C ATOM 778 O THR A 54 6.664 12.843 -5.047 1.00 0.00 O ATOM 779 CB THR A 54 8.735 13.974 -7.261 1.00 0.00 C ATOM 780 OG1 THR A 54 9.954 13.463 -7.784 1.00 0.00 O ATOM 781 CG2 THR A 54 8.591 15.449 -7.639 1.00 0.00 C ATOM 0 H THR A 54 9.023 11.725 -5.899 1.00 0.00 H new ATOM 0 HA THR A 54 9.303 14.646 -5.294 1.00 0.00 H new ATOM 0 HB THR A 54 7.899 13.413 -7.678 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.780 12.624 -8.260 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.593 15.548 -8.724 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.653 15.837 -7.241 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.424 16.015 -7.222 1.00 0.00 H new ATOM 789 N LYS A 55 6.750 15.036 -5.024 1.00 0.00 N ATOM 790 CA LYS A 55 5.345 15.119 -4.543 1.00 0.00 C ATOM 791 C LYS A 55 4.437 14.395 -5.534 1.00 0.00 C ATOM 792 O LYS A 55 3.459 13.778 -5.162 1.00 0.00 O ATOM 793 CB LYS A 55 4.918 16.583 -4.446 1.00 0.00 C ATOM 794 CG LYS A 55 3.481 16.663 -3.923 1.00 0.00 C ATOM 795 CD LYS A 55 3.327 15.753 -2.702 1.00 0.00 C ATOM 796 CE LYS A 55 2.331 16.377 -1.722 1.00 0.00 C ATOM 797 NZ LYS A 55 2.820 16.187 -0.327 1.00 0.00 N ATOM 0 H LYS A 55 7.219 15.931 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 55 5.269 14.656 -3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.589 17.125 -3.780 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.987 17.059 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.237 17.691 -3.656 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.782 16.362 -4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.980 14.767 -3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.292 15.613 -2.216 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.212 17.439 -1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.350 15.916 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.041 16.358 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.168 15.214 -0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.593 16.856 -0.136 1.00 0.00 H new ATOM 811 N GLU A 56 4.754 14.468 -6.796 1.00 0.00 N ATOM 812 CA GLU A 56 3.912 13.785 -7.811 1.00 0.00 C ATOM 813 C GLU A 56 4.394 12.343 -7.983 1.00 0.00 C ATOM 814 O GLU A 56 3.665 11.485 -8.438 1.00 0.00 O ATOM 815 CB GLU A 56 4.019 14.523 -9.146 1.00 0.00 C ATOM 816 CG GLU A 56 2.672 14.470 -9.869 1.00 0.00 C ATOM 817 CD GLU A 56 2.254 15.884 -10.273 1.00 0.00 C ATOM 818 OE1 GLU A 56 2.967 16.491 -11.057 1.00 0.00 O ATOM 819 OE2 GLU A 56 1.231 16.340 -9.788 1.00 0.00 O ATOM 0 H GLU A 56 5.560 14.971 -7.167 1.00 0.00 H new ATOM 0 HA GLU A 56 2.873 13.785 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.313 15.559 -8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.793 14.068 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.746 13.835 -10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.916 14.027 -9.220 1.00 0.00 H new ATOM 826 N GLU A 57 5.618 12.071 -7.619 1.00 0.00 N ATOM 827 CA GLU A 57 6.144 10.685 -7.761 1.00 0.00 C ATOM 828 C GLU A 57 5.297 9.731 -6.915 1.00 0.00 C ATOM 829 O GLU A 57 5.131 8.573 -7.245 1.00 0.00 O ATOM 830 CB GLU A 57 7.597 10.636 -7.282 1.00 0.00 C ATOM 831 CG GLU A 57 8.345 9.530 -8.028 1.00 0.00 C ATOM 832 CD GLU A 57 9.616 10.106 -8.656 1.00 0.00 C ATOM 833 OE1 GLU A 57 10.036 11.168 -8.227 1.00 0.00 O ATOM 834 OE2 GLU A 57 10.147 9.475 -9.556 1.00 0.00 O ATOM 0 H GLU A 57 6.275 12.748 -7.230 1.00 0.00 H new ATOM 0 HA GLU A 57 6.097 10.385 -8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.081 11.597 -7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.631 10.452 -6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.600 8.722 -7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.707 9.102 -8.801 1.00 0.00 H new ATOM 841 N LEU A 58 4.758 10.210 -5.825 1.00 0.00 N ATOM 842 CA LEU A 58 3.920 9.332 -4.957 1.00 0.00 C ATOM 843 C LEU A 58 2.481 9.319 -5.478 1.00 0.00 C ATOM 844 O LEU A 58 1.719 8.416 -5.198 1.00 0.00 O ATOM 845 CB LEU A 58 3.935 9.867 -3.522 1.00 0.00 C ATOM 846 CG LEU A 58 5.301 9.606 -2.883 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.719 8.155 -3.128 1.00 0.00 C ATOM 848 CD2 LEU A 58 6.340 10.546 -3.499 1.00 0.00 C ATOM 0 H LEU A 58 4.862 11.171 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 58 4.322 8.319 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.722 10.936 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.152 9.385 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 58 5.236 9.785 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.692 7.975 -2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.981 7.484 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.782 7.971 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.313 10.361 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.401 10.367 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.047 11.580 -3.319 1.00 0.00 H new ATOM 860 N ASP A 59 2.102 10.315 -6.229 1.00 0.00 N ATOM 861 CA ASP A 59 0.710 10.356 -6.760 1.00 0.00 C ATOM 862 C ASP A 59 0.598 9.444 -7.984 1.00 0.00 C ATOM 863 O ASP A 59 -0.473 9.239 -8.521 1.00 0.00 O ATOM 864 CB ASP A 59 0.356 11.791 -7.158 1.00 0.00 C ATOM 865 CG ASP A 59 -1.151 11.899 -7.393 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.897 11.552 -6.490 1.00 0.00 O ATOM 867 OD2 ASP A 59 -1.536 12.323 -8.469 1.00 0.00 O ATOM 0 H ASP A 59 2.694 11.101 -6.498 1.00 0.00 H new ATOM 0 HA ASP A 59 0.020 10.012 -5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.663 12.483 -6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.897 12.073 -8.062 1.00 0.00 H new ATOM 872 N ALA A 60 1.693 8.892 -8.431 1.00 0.00 N ATOM 873 CA ALA A 60 1.643 7.990 -9.617 1.00 0.00 C ATOM 874 C ALA A 60 1.408 6.553 -9.153 1.00 0.00 C ATOM 875 O ALA A 60 0.578 5.846 -9.690 1.00 0.00 O ATOM 876 CB ALA A 60 2.968 8.072 -10.377 1.00 0.00 C ATOM 0 H ALA A 60 2.620 9.026 -8.027 1.00 0.00 H new ATOM 0 HA ALA A 60 0.829 8.297 -10.274 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.932 7.413 -11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.135 9.097 -10.708 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.783 7.765 -9.722 1.00 0.00 H new ATOM 882 N ILE A 61 2.125 6.117 -8.154 1.00 0.00 N ATOM 883 CA ILE A 61 1.929 4.726 -7.655 1.00 0.00 C ATOM 884 C ILE A 61 0.556 4.629 -7.000 1.00 0.00 C ATOM 885 O ILE A 61 -0.113 3.617 -7.073 1.00 0.00 O ATOM 886 CB ILE A 61 2.996 4.381 -6.613 1.00 0.00 C ATOM 887 CG1 ILE A 61 4.287 5.134 -6.918 1.00 0.00 C ATOM 888 CG2 ILE A 61 3.273 2.883 -6.637 1.00 0.00 C ATOM 889 CD1 ILE A 61 4.453 6.249 -5.892 1.00 0.00 C ATOM 0 H ILE A 61 2.835 6.661 -7.663 1.00 0.00 H new ATOM 0 HA ILE A 61 2.007 4.031 -8.491 1.00 0.00 H new ATOM 0 HB ILE A 61 2.632 4.671 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.139 4.455 -6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.254 5.549 -7.926 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.033 2.642 -5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.356 2.340 -6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.628 2.594 -7.626 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.372 6.798 -6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.603 6.929 -5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.502 5.819 -4.892 1.00 0.00 H new ATOM 901 N ILE A 62 0.131 5.679 -6.355 1.00 0.00 N ATOM 902 CA ILE A 62 -1.195 5.654 -5.690 1.00 0.00 C ATOM 903 C ILE A 62 -2.294 5.784 -6.747 1.00 0.00 C ATOM 904 O ILE A 62 -3.411 5.375 -6.548 1.00 0.00 O ATOM 905 CB ILE A 62 -1.296 6.813 -4.697 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.460 6.492 -3.455 1.00 0.00 C ATOM 907 CG2 ILE A 62 -2.757 7.014 -4.284 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.777 7.504 -2.354 1.00 0.00 C ATOM 0 H ILE A 62 0.648 6.553 -6.261 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.315 4.713 -5.154 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.924 7.723 -5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.677 5.481 -3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.602 6.525 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.825 7.840 -3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.356 7.241 -5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.131 6.104 -3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.183 7.277 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.538 8.509 -2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.836 7.449 -2.103 1.00 0.00 H new ATOM 920 N GLU A 63 -1.989 6.359 -7.871 1.00 0.00 N ATOM 921 CA GLU A 63 -3.032 6.510 -8.923 1.00 0.00 C ATOM 922 C GLU A 63 -3.696 5.153 -9.191 1.00 0.00 C ATOM 923 O GLU A 63 -4.904 5.048 -9.261 1.00 0.00 O ATOM 924 CB GLU A 63 -2.383 7.028 -10.211 1.00 0.00 C ATOM 925 CG GLU A 63 -3.352 6.854 -11.385 1.00 0.00 C ATOM 926 CD GLU A 63 -3.523 8.191 -12.110 1.00 0.00 C ATOM 927 OE1 GLU A 63 -3.920 9.146 -11.465 1.00 0.00 O ATOM 928 OE2 GLU A 63 -3.253 8.235 -13.299 1.00 0.00 O ATOM 0 H GLU A 63 -1.069 6.730 -8.109 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.788 7.219 -8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.118 8.079 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.458 6.485 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.972 6.100 -12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.317 6.498 -11.024 1.00 0.00 H new ATOM 935 N GLU A 64 -2.918 4.119 -9.359 1.00 0.00 N ATOM 936 CA GLU A 64 -3.507 2.776 -9.642 1.00 0.00 C ATOM 937 C GLU A 64 -3.757 2.001 -8.341 1.00 0.00 C ATOM 938 O GLU A 64 -3.304 0.884 -8.188 1.00 0.00 O ATOM 939 CB GLU A 64 -2.542 1.981 -10.522 1.00 0.00 C ATOM 940 CG GLU A 64 -1.250 1.714 -9.746 1.00 0.00 C ATOM 941 CD GLU A 64 -0.062 1.731 -10.709 1.00 0.00 C ATOM 942 OE1 GLU A 64 0.046 0.809 -11.500 1.00 0.00 O ATOM 943 OE2 GLU A 64 0.718 2.665 -10.640 1.00 0.00 O ATOM 0 H GLU A 64 -1.899 4.144 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.460 2.915 -10.152 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.000 1.039 -10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.323 2.536 -11.434 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.115 2.470 -8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.309 0.749 -9.242 1.00 0.00 H new ATOM 950 N VAL A 65 -4.480 2.565 -7.410 1.00 0.00 N ATOM 951 CA VAL A 65 -4.754 1.827 -6.137 1.00 0.00 C ATOM 952 C VAL A 65 -5.698 2.645 -5.248 1.00 0.00 C ATOM 953 O VAL A 65 -6.700 2.149 -4.776 1.00 0.00 O ATOM 954 CB VAL A 65 -3.444 1.567 -5.381 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.905 0.185 -5.751 1.00 0.00 C ATOM 956 CG2 VAL A 65 -2.402 2.630 -5.746 1.00 0.00 C ATOM 0 H VAL A 65 -4.891 3.497 -7.472 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.222 0.874 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.641 1.612 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.975 0.001 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.637 -0.576 -5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.719 0.143 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.477 2.434 -5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.208 2.596 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.779 3.617 -5.477 1.00 0.00 H new ATOM 966 N ASP A 66 -5.368 3.887 -5.015 1.00 0.00 N ATOM 967 CA ASP A 66 -6.212 4.771 -4.154 1.00 0.00 C ATOM 968 C ASP A 66 -7.698 4.422 -4.305 1.00 0.00 C ATOM 969 O ASP A 66 -8.203 3.529 -3.655 1.00 0.00 O ATOM 970 CB ASP A 66 -5.986 6.230 -4.563 1.00 0.00 C ATOM 971 CG ASP A 66 -5.749 6.310 -6.073 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.247 5.449 -6.779 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.072 7.233 -6.498 1.00 0.00 O ATOM 0 H ASP A 66 -4.533 4.336 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.928 4.623 -3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.851 6.833 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.129 6.639 -4.028 1.00 0.00 H new ATOM 978 N GLU A 67 -8.405 5.124 -5.150 1.00 0.00 N ATOM 979 CA GLU A 67 -9.855 4.832 -5.327 1.00 0.00 C ATOM 980 C GLU A 67 -10.408 5.698 -6.459 1.00 0.00 C ATOM 981 O GLU A 67 -11.032 5.209 -7.381 1.00 0.00 O ATOM 982 CB GLU A 67 -10.599 5.154 -4.028 1.00 0.00 C ATOM 983 CG GLU A 67 -11.758 4.173 -3.845 1.00 0.00 C ATOM 984 CD GLU A 67 -13.040 4.952 -3.547 1.00 0.00 C ATOM 985 OE1 GLU A 67 -13.144 6.079 -4.003 1.00 0.00 O ATOM 986 OE2 GLU A 67 -13.896 4.409 -2.869 1.00 0.00 O ATOM 0 H GLU A 67 -8.041 5.885 -5.724 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.991 3.779 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.917 5.089 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.976 6.177 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.886 3.572 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.540 3.484 -3.029 1.00 0.00 H new ATOM 993 N ASP A 68 -10.184 6.983 -6.397 1.00 0.00 N ATOM 994 CA ASP A 68 -10.698 7.882 -7.469 1.00 0.00 C ATOM 995 C ASP A 68 -9.843 9.151 -7.528 1.00 0.00 C ATOM 996 O ASP A 68 -10.258 10.164 -8.054 1.00 0.00 O ATOM 997 CB ASP A 68 -12.149 8.258 -7.164 1.00 0.00 C ATOM 998 CG ASP A 68 -12.915 8.449 -8.475 1.00 0.00 C ATOM 999 OD1 ASP A 68 -12.729 9.477 -9.104 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -13.676 7.562 -8.827 1.00 0.00 O ATOM 0 H ASP A 68 -9.668 7.448 -5.651 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.648 7.368 -8.429 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.620 7.478 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.182 9.174 -6.575 1.00 0.00 H new ATOM 1005 N GLY A 69 -8.654 9.104 -6.993 1.00 0.00 N ATOM 1006 CA GLY A 69 -7.777 10.310 -7.022 1.00 0.00 C ATOM 1007 C GLY A 69 -7.784 10.981 -5.647 1.00 0.00 C ATOM 1008 O GLY A 69 -8.354 12.038 -5.465 1.00 0.00 O ATOM 0 H GLY A 69 -8.252 8.285 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.760 10.027 -7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.128 11.009 -7.781 1.00 0.00 H new ATOM 1012 N SER A 70 -7.155 10.376 -4.677 1.00 0.00 N ATOM 1013 CA SER A 70 -7.129 10.982 -3.315 1.00 0.00 C ATOM 1014 C SER A 70 -5.679 11.123 -2.846 1.00 0.00 C ATOM 1015 O SER A 70 -5.333 12.051 -2.142 1.00 0.00 O ATOM 1016 CB SER A 70 -7.891 10.080 -2.342 1.00 0.00 C ATOM 1017 OG SER A 70 -7.660 8.719 -2.685 1.00 0.00 O ATOM 0 H SER A 70 -6.659 9.490 -4.768 1.00 0.00 H new ATOM 0 HA SER A 70 -7.599 11.965 -3.346 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.564 10.270 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.958 10.301 -2.382 1.00 0.00 H new ATOM 0 HG SER A 70 -8.145 8.138 -2.063 1.00 0.00 H new ATOM 1023 N GLY A 71 -4.830 10.210 -3.228 1.00 0.00 N ATOM 1024 CA GLY A 71 -3.403 10.291 -2.800 1.00 0.00 C ATOM 1025 C GLY A 71 -3.238 9.588 -1.452 1.00 0.00 C ATOM 1026 O GLY A 71 -2.378 9.927 -0.663 1.00 0.00 O ATOM 0 H GLY A 71 -5.061 9.411 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.760 9.825 -3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.094 11.333 -2.720 1.00 0.00 H new ATOM 1030 N THR A 72 -4.060 8.611 -1.183 1.00 0.00 N ATOM 1031 CA THR A 72 -3.959 7.881 0.113 1.00 0.00 C ATOM 1032 C THR A 72 -4.233 6.395 -0.125 1.00 0.00 C ATOM 1033 O THR A 72 -4.761 6.009 -1.149 1.00 0.00 O ATOM 1034 CB THR A 72 -4.987 8.440 1.114 1.00 0.00 C ATOM 1035 OG1 THR A 72 -5.612 7.365 1.800 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.050 9.262 0.379 1.00 0.00 C ATOM 0 H THR A 72 -4.799 8.286 -1.806 1.00 0.00 H new ATOM 0 HA THR A 72 -2.958 8.011 0.523 1.00 0.00 H new ATOM 0 HB THR A 72 -4.472 9.083 1.828 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.265 7.720 2.438 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.771 9.651 1.098 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.572 10.092 -0.142 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.565 8.628 -0.343 1.00 0.00 H new ATOM 1044 N ILE A 73 -3.876 5.556 0.808 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.116 4.096 0.627 1.00 0.00 C ATOM 1046 C ILE A 73 -4.167 3.411 1.992 1.00 0.00 C ATOM 1047 O ILE A 73 -3.504 3.817 2.927 1.00 0.00 O ATOM 1048 CB ILE A 73 -2.978 3.494 -0.195 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.669 4.194 0.166 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -3.263 3.688 -1.684 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.492 3.411 -0.418 1.00 0.00 C ATOM 0 H ILE A 73 -3.429 5.817 1.687 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.064 3.947 0.109 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.897 2.429 0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.670 5.212 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.570 4.266 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.450 3.258 -2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.198 3.192 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.344 4.753 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.442 3.911 -0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.488 2.401 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.590 3.362 -1.503 1.00 0.00 H new ATOM 1063 N ASP A 74 -4.943 2.368 2.115 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.030 1.656 3.420 1.00 0.00 C ATOM 1065 C ASP A 74 -4.410 0.262 3.281 1.00 0.00 C ATOM 1066 O ASP A 74 -3.683 -0.013 2.348 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.497 1.534 3.845 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.273 0.717 2.809 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -7.308 1.128 1.662 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -7.824 -0.305 3.184 1.00 0.00 O ATOM 0 H ASP A 74 -5.519 1.979 1.369 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.486 2.219 4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.563 1.055 4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.939 2.525 3.945 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.685 -0.615 4.205 1.00 0.00 N ATOM 1076 CA PHE A 75 -4.102 -1.986 4.130 1.00 0.00 C ATOM 1077 C PHE A 75 -4.729 -2.760 2.968 1.00 0.00 C ATOM 1078 O PHE A 75 -4.295 -3.843 2.628 1.00 0.00 O ATOM 1079 CB PHE A 75 -4.376 -2.724 5.443 1.00 0.00 C ATOM 1080 CG PHE A 75 -3.167 -2.616 6.338 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -2.642 -1.358 6.657 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -2.569 -3.775 6.848 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -1.518 -1.258 7.486 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -1.446 -3.675 7.676 1.00 0.00 C ATOM 1085 CZ PHE A 75 -0.920 -2.417 7.996 1.00 0.00 C ATOM 0 H PHE A 75 -5.288 -0.443 5.009 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.027 -1.911 3.967 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.248 -2.297 5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.603 -3.771 5.244 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.104 -0.465 6.264 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.975 -4.745 6.602 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.113 -0.288 7.732 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.984 -4.569 8.069 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.053 -2.341 8.636 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.748 -2.220 2.359 1.00 0.00 N ATOM 1096 CA GLU A 76 -6.402 -2.933 1.224 1.00 0.00 C ATOM 1097 C GLU A 76 -5.743 -2.524 -0.099 1.00 0.00 C ATOM 1098 O GLU A 76 -5.327 -3.359 -0.877 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.889 -2.573 1.188 1.00 0.00 C ATOM 1100 CG GLU A 76 -8.614 -3.285 2.332 1.00 0.00 C ATOM 1101 CD GLU A 76 -10.124 -3.247 2.084 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -10.706 -2.187 2.246 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -10.673 -4.280 1.736 1.00 0.00 O ATOM 0 H GLU A 76 -6.157 -1.316 2.597 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.289 -4.008 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.015 -1.494 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.322 -2.865 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.273 -4.318 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.379 -2.803 3.281 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.657 -1.249 -0.364 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.036 -0.792 -1.642 1.00 0.00 C ATOM 1112 C GLU A 77 -3.512 -0.768 -1.505 1.00 0.00 C ATOM 1113 O GLU A 77 -2.796 -0.624 -2.476 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.538 0.615 -1.975 1.00 0.00 C ATOM 1115 CG GLU A 77 -6.930 0.523 -2.603 1.00 0.00 C ATOM 1116 CD GLU A 77 -6.865 -0.342 -3.863 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -5.992 -0.100 -4.679 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -7.691 -1.230 -3.991 1.00 0.00 O ATOM 0 H GLU A 77 -5.989 -0.504 0.248 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.312 -1.481 -2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.574 1.223 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.849 1.106 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.634 0.094 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.295 1.520 -2.852 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.010 -0.899 -0.310 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.534 -0.876 -0.115 1.00 0.00 C ATOM 1127 C PHE A 78 -0.930 -2.240 -0.468 1.00 0.00 C ATOM 1128 O PHE A 78 0.110 -2.323 -1.091 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.226 -0.547 1.348 1.00 0.00 C ATOM 1130 CG PHE A 78 0.267 -0.412 1.531 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.092 -1.538 1.428 1.00 0.00 C ATOM 1132 CD2 PHE A 78 0.824 0.842 1.808 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.475 -1.410 1.599 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.207 0.969 1.978 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.032 -0.156 1.874 1.00 0.00 C ATOM 0 H PHE A 78 -3.558 -1.021 0.541 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.099 -0.119 -0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.723 0.379 1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.613 -1.332 1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.661 -2.506 1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.187 1.710 1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.112 -2.278 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.638 1.936 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.099 -0.057 2.006 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.559 -3.311 -0.061 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.002 -4.664 -0.363 1.00 0.00 C ATOM 1147 C LEU A 79 -1.553 -5.188 -1.694 1.00 0.00 C ATOM 1148 O LEU A 79 -0.881 -5.899 -2.414 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.387 -5.633 0.757 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.377 -5.522 1.899 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -0.884 -4.517 2.933 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -0.208 -6.892 2.561 1.00 0.00 C ATOM 0 H LEU A 79 -2.432 -3.308 0.466 1.00 0.00 H new ATOM 0 HA LEU A 79 0.083 -4.587 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.389 -5.405 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.410 -6.654 0.376 1.00 0.00 H new ATOM 0 HG LEU A 79 0.582 -5.185 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.164 -4.438 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.008 -3.542 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.843 -4.854 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.512 -6.816 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.168 -7.227 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.152 -7.610 1.824 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.772 -4.858 -2.021 1.00 0.00 N ATOM 1165 CA VAL A 80 -3.364 -5.355 -3.298 1.00 0.00 C ATOM 1166 C VAL A 80 -2.457 -4.999 -4.481 1.00 0.00 C ATOM 1167 O VAL A 80 -2.482 -5.651 -5.506 1.00 0.00 O ATOM 1168 CB VAL A 80 -4.739 -4.718 -3.505 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -4.569 -3.245 -3.878 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -5.473 -5.447 -4.633 1.00 0.00 C ATOM 0 H VAL A 80 -3.385 -4.266 -1.460 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.463 -6.439 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.317 -4.795 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.549 -2.792 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.045 -2.725 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.991 -3.167 -4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.453 -4.994 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.894 -5.370 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.595 -6.497 -4.368 1.00 0.00 H new ATOM 1180 N MET A 81 -1.661 -3.974 -4.358 1.00 0.00 N ATOM 1181 CA MET A 81 -0.769 -3.592 -5.492 1.00 0.00 C ATOM 1182 C MET A 81 0.416 -4.558 -5.569 1.00 0.00 C ATOM 1183 O MET A 81 0.914 -4.859 -6.635 1.00 0.00 O ATOM 1184 CB MET A 81 -0.254 -2.165 -5.289 1.00 0.00 C ATOM 1185 CG MET A 81 0.716 -2.130 -4.106 1.00 0.00 C ATOM 1186 SD MET A 81 1.606 -0.554 -4.104 1.00 0.00 S ATOM 1187 CE MET A 81 0.608 0.271 -2.840 1.00 0.00 C ATOM 0 H MET A 81 -1.588 -3.386 -3.527 1.00 0.00 H new ATOM 0 HA MET A 81 -1.335 -3.642 -6.422 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.247 -1.817 -6.192 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.089 -1.489 -5.107 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.170 -2.253 -3.170 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.421 -2.958 -4.175 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.725 1.351 -2.932 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.441 0.007 -2.975 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.938 -0.047 -1.851 1.00 0.00 H new ATOM 1197 N MET A 82 0.871 -5.048 -4.449 1.00 0.00 N ATOM 1198 CA MET A 82 2.023 -5.993 -4.466 1.00 0.00 C ATOM 1199 C MET A 82 1.526 -7.396 -4.825 1.00 0.00 C ATOM 1200 O MET A 82 2.281 -8.237 -5.270 1.00 0.00 O ATOM 1201 CB MET A 82 2.681 -6.022 -3.085 1.00 0.00 C ATOM 1202 CG MET A 82 1.731 -6.675 -2.081 1.00 0.00 C ATOM 1203 SD MET A 82 2.581 -8.035 -1.243 1.00 0.00 S ATOM 1204 CE MET A 82 2.836 -9.078 -2.700 1.00 0.00 C ATOM 0 H MET A 82 0.496 -4.836 -3.525 1.00 0.00 H new ATOM 0 HA MET A 82 2.751 -5.665 -5.207 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.618 -6.577 -3.129 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.925 -5.009 -2.765 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.393 -5.939 -1.352 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.843 -7.047 -2.593 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.291 -10.021 -2.397 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.877 -9.275 -3.179 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.494 -8.567 -3.403 1.00 0.00 H new ATOM 1214 N VAL A 83 0.260 -7.652 -4.639 1.00 0.00 N ATOM 1215 CA VAL A 83 -0.285 -8.998 -4.972 1.00 0.00 C ATOM 1216 C VAL A 83 -0.171 -9.231 -6.480 1.00 0.00 C ATOM 1217 O VAL A 83 -0.039 -10.349 -6.937 1.00 0.00 O ATOM 1218 CB VAL A 83 -1.755 -9.069 -4.555 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -2.404 -10.312 -5.172 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -1.849 -9.151 -3.031 1.00 0.00 C ATOM 0 H VAL A 83 -0.420 -6.987 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 83 0.280 -9.763 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.274 -8.177 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.451 -10.361 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.338 -10.256 -6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.885 -11.205 -4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.896 -9.202 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.329 -10.043 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.389 -8.267 -2.590 1.00 0.00 H new ATOM 1230 N ARG A 84 -0.223 -8.183 -7.255 1.00 0.00 N ATOM 1231 CA ARG A 84 -0.121 -8.342 -8.731 1.00 0.00 C ATOM 1232 C ARG A 84 1.346 -8.532 -9.124 1.00 0.00 C ATOM 1233 O ARG A 84 1.819 -9.642 -9.273 1.00 0.00 O ATOM 1234 CB ARG A 84 -0.680 -7.093 -9.417 1.00 0.00 C ATOM 1235 CG ARG A 84 -2.163 -6.941 -9.074 1.00 0.00 C ATOM 1236 CD ARG A 84 -2.569 -5.473 -9.220 1.00 0.00 C ATOM 1237 NE ARG A 84 -4.012 -5.388 -9.584 1.00 0.00 N ATOM 1238 CZ ARG A 84 -4.360 -5.022 -10.787 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -4.112 -3.809 -11.197 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -4.960 -5.869 -11.579 1.00 0.00 N ATOM 0 H ARG A 84 -0.332 -7.223 -6.929 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.694 -9.214 -9.045 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.129 -6.210 -9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.552 -7.170 -10.497 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.766 -7.564 -9.734 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.349 -7.282 -8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.387 -4.940 -8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.961 -4.991 -9.986 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.727 -5.616 -8.893 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.646 -3.146 -10.577 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.384 -3.523 -12.138 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.157 -6.817 -11.257 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.232 -5.583 -12.519 1.00 0.00 H new ATOM 1254 N GLN A 85 2.071 -7.459 -9.292 1.00 0.00 N ATOM 1255 CA GLN A 85 3.505 -7.581 -9.675 1.00 0.00 C ATOM 1256 C GLN A 85 4.368 -7.647 -8.414 1.00 0.00 C ATOM 1257 O GLN A 85 4.887 -6.650 -7.953 1.00 0.00 O ATOM 1258 CB GLN A 85 3.914 -6.366 -10.509 1.00 0.00 C ATOM 1259 CG GLN A 85 4.234 -6.812 -11.936 1.00 0.00 C ATOM 1260 CD GLN A 85 2.973 -6.710 -12.797 1.00 0.00 C ATOM 1261 OE1 GLN A 85 1.871 -6.742 -12.287 1.00 0.00 O ATOM 1262 NE2 GLN A 85 3.090 -6.585 -14.091 1.00 0.00 N ATOM 0 H GLN A 85 1.731 -6.504 -9.180 1.00 0.00 H new ATOM 0 HA GLN A 85 3.648 -8.490 -10.260 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.110 -5.630 -10.518 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.784 -5.882 -10.064 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.024 -6.189 -12.355 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.604 -7.837 -11.934 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.015 -6.558 -14.519 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.256 -6.514 -14.674 1.00 0.00 H new ATOM 1271 N MET A 86 4.531 -8.815 -7.856 1.00 0.00 N ATOM 1272 CA MET A 86 5.364 -8.944 -6.630 1.00 0.00 C ATOM 1273 C MET A 86 6.832 -9.101 -7.031 1.00 0.00 C ATOM 1274 O MET A 86 7.715 -9.120 -6.196 1.00 0.00 O ATOM 1275 CB MET A 86 4.918 -10.174 -5.835 1.00 0.00 C ATOM 1276 CG MET A 86 4.796 -11.375 -6.774 1.00 0.00 C ATOM 1277 SD MET A 86 3.050 -11.811 -6.969 1.00 0.00 S ATOM 1278 CE MET A 86 2.709 -12.163 -5.227 1.00 0.00 C ATOM 0 H MET A 86 4.123 -9.685 -8.197 1.00 0.00 H new ATOM 0 HA MET A 86 5.246 -8.053 -6.013 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.637 -10.389 -5.045 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.961 -9.979 -5.351 1.00 0.00 H new ATOM 0 HG2 MET A 86 5.234 -11.138 -7.744 1.00 0.00 H new ATOM 0 HG3 MET A 86 5.351 -12.223 -6.372 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.034 -13.016 -5.153 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.642 -12.394 -4.713 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.245 -11.292 -4.764 1.00 0.00 H new ATOM 1288 N LYS A 87 7.101 -9.212 -8.304 1.00 0.00 N ATOM 1289 CA LYS A 87 8.510 -9.365 -8.756 1.00 0.00 C ATOM 1290 C LYS A 87 9.306 -8.124 -8.358 1.00 0.00 C ATOM 1291 O LYS A 87 10.304 -8.209 -7.670 1.00 0.00 O ATOM 1292 CB LYS A 87 8.540 -9.524 -10.277 1.00 0.00 C ATOM 1293 CG LYS A 87 8.804 -10.986 -10.634 1.00 0.00 C ATOM 1294 CD LYS A 87 10.185 -11.110 -11.281 1.00 0.00 C ATOM 1295 CE LYS A 87 10.029 -11.546 -12.738 1.00 0.00 C ATOM 1296 NZ LYS A 87 10.626 -10.514 -13.632 1.00 0.00 N ATOM 0 H LYS A 87 6.404 -9.203 -9.049 1.00 0.00 H new ATOM 0 HA LYS A 87 8.951 -10.246 -8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.592 -9.200 -10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.316 -8.889 -10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.753 -11.605 -9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.036 -11.349 -11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.709 -10.156 -11.230 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.790 -11.835 -10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.519 -12.507 -12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.974 -11.683 -12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.520 -10.810 -14.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.139 -9.606 -13.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.636 -10.404 -13.410 1.00 0.00 H new ATOM 1310 N GLU A 88 8.867 -6.967 -8.772 1.00 0.00 N ATOM 1311 CA GLU A 88 9.595 -5.728 -8.398 1.00 0.00 C ATOM 1312 C GLU A 88 9.491 -5.542 -6.884 1.00 0.00 C ATOM 1313 O GLU A 88 10.162 -4.713 -6.305 1.00 0.00 O ATOM 1314 CB GLU A 88 8.962 -4.528 -9.107 1.00 0.00 C ATOM 1315 CG GLU A 88 7.440 -4.612 -8.990 1.00 0.00 C ATOM 1316 CD GLU A 88 6.827 -3.244 -9.296 1.00 0.00 C ATOM 1317 OE1 GLU A 88 7.559 -2.270 -9.272 1.00 0.00 O ATOM 1318 OE2 GLU A 88 5.634 -3.195 -9.549 1.00 0.00 O ATOM 0 H GLU A 88 8.039 -6.829 -9.351 1.00 0.00 H new ATOM 0 HA GLU A 88 10.641 -5.805 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.321 -3.599 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.257 -4.515 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.052 -5.359 -9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.159 -4.932 -7.987 1.00 0.00 H new ATOM 1325 N ASP A 89 8.644 -6.312 -6.245 1.00 0.00 N ATOM 1326 CA ASP A 89 8.475 -6.195 -4.772 1.00 0.00 C ATOM 1327 C ASP A 89 7.543 -5.020 -4.477 1.00 0.00 C ATOM 1328 O ASP A 89 6.399 -5.199 -4.108 1.00 0.00 O ATOM 1329 CB ASP A 89 9.834 -5.962 -4.109 1.00 0.00 C ATOM 1330 CG ASP A 89 9.865 -6.662 -2.748 1.00 0.00 C ATOM 1331 OD1 ASP A 89 8.909 -6.512 -2.005 1.00 0.00 O ATOM 1332 OD2 ASP A 89 10.845 -7.335 -2.473 1.00 0.00 O ATOM 0 H ASP A 89 8.060 -7.021 -6.689 1.00 0.00 H new ATOM 0 HA ASP A 89 8.047 -7.115 -4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.632 -6.346 -4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.011 -4.894 -3.985 1.00 0.00 H new ATOM 1337 N ALA A 90 8.020 -3.817 -4.650 1.00 0.00 N ATOM 1338 CA ALA A 90 7.160 -2.629 -4.395 1.00 0.00 C ATOM 1339 C ALA A 90 6.370 -2.835 -3.101 1.00 0.00 C ATOM 1340 O ALA A 90 5.260 -2.332 -3.021 1.00 0.00 O ATOM 1341 CB ALA A 90 6.190 -2.453 -5.566 1.00 0.00 C ATOM 1342 OXT ALA A 90 6.887 -3.489 -2.211 1.00 0.00 O ATOM 0 H ALA A 90 8.970 -3.607 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 90 7.782 -1.740 -4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.556 -1.584 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.754 -2.306 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.568 -3.343 -5.660 1.00 0.00 H new TER 1348 ALA A 90