USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=21 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 51 GLN :FLIP amide:sc= -6.63! C(o=-10!,f=-7.1!) USER MOD Set 1.2: A 86 MET CE :methyl 144:sc= -0.473 (180deg=-2.52) USER MOD Set 2.1: A 46 MET CE :methyl -154:sc= -5.32! (180deg=-6.75!) USER MOD Set 2.2: A 85 GLN :FLIP amide:sc= -3.8 F(o=-9.9,f=-9.1) USER MOD Single : A 1 ALA N :NH3+ -119:sc= 0.119 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -123:sc= -2.52! (180deg=-3.65!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.0489 X(o=-0.049,f=-0.0064) USER MOD Single : A 7 GLN : amide:sc= -0.531 X(o=-0.53,f=-0.77) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0695 USER MOD Single : A 18 MET CE :methyl -134:sc= -0.173 (180deg=-0.957) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -154:sc= -0.305 (180deg=-2.23!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.1 K(o=-2.1,f=-8.6!) USER MOD Single : A 54 THR OG1 : rot 133:sc= -3.44! USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.194) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -173:sc= 0.467 USER MOD Single : A 81 MET CE :methyl 162:sc= -1.76 (180deg=-2.28) USER MOD Single : A 82 MET CE :methyl -134:sc= -12! (180deg=-20.6!) USER MOD Single : A 87 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0617) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 64.193 -1.956 -15.922 1.00 0.00 N ATOM 2 CA ALA A 1 65.050 -3.121 -15.559 1.00 0.00 C ATOM 3 C ALA A 1 64.226 -4.169 -14.806 1.00 0.00 C ATOM 4 O ALA A 1 63.047 -3.994 -14.573 1.00 0.00 O ATOM 5 CB ALA A 1 66.139 -2.543 -14.654 1.00 0.00 C ATOM 0 H1 ALA A 1 64.168 -1.853 -16.957 1.00 0.00 H new ATOM 0 H2 ALA A 1 63.228 -2.110 -15.566 1.00 0.00 H new ATOM 0 H3 ALA A 1 64.585 -1.091 -15.497 1.00 0.00 H new ATOM 0 HA ALA A 1 65.468 -3.616 -16.435 1.00 0.00 H new ATOM 0 HB1 ALA A 1 66.814 -3.340 -14.342 1.00 0.00 H new ATOM 0 HB2 ALA A 1 66.701 -1.785 -15.199 1.00 0.00 H new ATOM 0 HB3 ALA A 1 65.680 -2.092 -13.775 1.00 0.00 H new ATOM 13 N SER A 2 64.839 -5.253 -14.417 1.00 0.00 N ATOM 14 CA SER A 2 64.089 -6.306 -13.675 1.00 0.00 C ATOM 15 C SER A 2 63.933 -5.894 -12.210 1.00 0.00 C ATOM 16 O SER A 2 63.186 -6.490 -11.460 1.00 0.00 O ATOM 17 CB SER A 2 64.951 -7.563 -13.787 1.00 0.00 C ATOM 18 OG SER A 2 64.296 -8.643 -13.133 1.00 0.00 O ATOM 0 H SER A 2 65.825 -5.455 -14.580 1.00 0.00 H new ATOM 0 HA SER A 2 63.088 -6.465 -14.076 1.00 0.00 H new ATOM 0 HB2 SER A 2 65.122 -7.808 -14.835 1.00 0.00 H new ATOM 0 HB3 SER A 2 65.928 -7.389 -13.336 1.00 0.00 H new ATOM 0 HG SER A 2 64.846 -9.451 -13.205 1.00 0.00 H new ATOM 24 N MET A 3 64.635 -4.874 -11.802 1.00 0.00 N ATOM 25 CA MET A 3 64.539 -4.412 -10.390 1.00 0.00 C ATOM 26 C MET A 3 63.137 -3.876 -10.101 1.00 0.00 C ATOM 27 O MET A 3 62.560 -4.138 -9.064 1.00 0.00 O ATOM 28 CB MET A 3 65.567 -3.290 -10.283 1.00 0.00 C ATOM 29 CG MET A 3 66.900 -3.865 -9.807 1.00 0.00 C ATOM 30 SD MET A 3 67.358 -5.272 -10.851 1.00 0.00 S ATOM 31 CE MET A 3 69.092 -5.378 -10.345 1.00 0.00 C ATOM 0 H MET A 3 65.274 -4.338 -12.389 1.00 0.00 H new ATOM 0 HA MET A 3 64.724 -5.215 -9.677 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.693 -2.804 -11.251 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.218 -2.528 -9.587 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.675 -3.099 -9.850 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.821 -4.181 -8.767 1.00 0.00 H new ATOM 0 HE1 MET A 3 69.733 -5.292 -11.222 1.00 0.00 H new ATOM 0 HE2 MET A 3 69.318 -4.570 -9.650 1.00 0.00 H new ATOM 0 HE3 MET A 3 69.271 -6.336 -9.858 1.00 0.00 H new ATOM 41 N THR A 4 62.586 -3.126 -11.012 1.00 0.00 N ATOM 42 CA THR A 4 61.223 -2.569 -10.793 1.00 0.00 C ATOM 43 C THR A 4 60.293 -3.660 -10.253 1.00 0.00 C ATOM 44 O THR A 4 59.318 -3.381 -9.582 1.00 0.00 O ATOM 45 CB THR A 4 60.772 -2.098 -12.178 1.00 0.00 C ATOM 46 OG1 THR A 4 61.330 -0.818 -12.443 1.00 0.00 O ATOM 47 CG2 THR A 4 59.245 -2.010 -12.230 1.00 0.00 C ATOM 0 H THR A 4 63.021 -2.874 -11.900 1.00 0.00 H new ATOM 0 HA THR A 4 61.208 -1.758 -10.065 1.00 0.00 H new ATOM 0 HB THR A 4 61.113 -2.811 -12.928 1.00 0.00 H new ATOM 0 HG1 THR A 4 61.045 -0.514 -13.330 1.00 0.00 H new ATOM 0 HG21 THR A 4 58.933 -1.674 -13.219 1.00 0.00 H new ATOM 0 HG22 THR A 4 58.817 -2.992 -12.029 1.00 0.00 H new ATOM 0 HG23 THR A 4 58.896 -1.301 -11.479 1.00 0.00 H new ATOM 55 N ASP A 5 60.589 -4.900 -10.533 1.00 0.00 N ATOM 56 CA ASP A 5 59.723 -6.003 -10.028 1.00 0.00 C ATOM 57 C ASP A 5 59.908 -6.162 -8.517 1.00 0.00 C ATOM 58 O ASP A 5 58.961 -6.356 -7.782 1.00 0.00 O ATOM 59 CB ASP A 5 60.201 -7.254 -10.765 1.00 0.00 C ATOM 60 CG ASP A 5 59.248 -7.562 -11.922 1.00 0.00 C ATOM 61 OD1 ASP A 5 58.049 -7.476 -11.715 1.00 0.00 O ATOM 62 OD2 ASP A 5 59.734 -7.880 -12.995 1.00 0.00 O ATOM 0 H ASP A 5 61.391 -5.197 -11.088 1.00 0.00 H new ATOM 0 HA ASP A 5 58.664 -5.813 -10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 5 61.212 -7.102 -11.143 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.242 -8.100 -10.079 1.00 0.00 H new ATOM 67 N GLN A 6 61.124 -6.078 -8.050 1.00 0.00 N ATOM 68 CA GLN A 6 61.373 -6.219 -6.586 1.00 0.00 C ATOM 69 C GLN A 6 61.119 -4.885 -5.881 1.00 0.00 C ATOM 70 O GLN A 6 61.202 -4.784 -4.673 1.00 0.00 O ATOM 71 CB GLN A 6 62.845 -6.620 -6.471 1.00 0.00 C ATOM 72 CG GLN A 6 62.945 -8.132 -6.261 1.00 0.00 C ATOM 73 CD GLN A 6 64.075 -8.696 -7.124 1.00 0.00 C ATOM 74 OE1 GLN A 6 63.847 -9.534 -7.974 1.00 0.00 O ATOM 75 NE2 GLN A 6 65.295 -8.269 -6.941 1.00 0.00 N ATOM 0 H GLN A 6 61.956 -5.918 -8.618 1.00 0.00 H new ATOM 0 HA GLN A 6 60.716 -6.954 -6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.384 -6.331 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.313 -6.094 -5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.132 -8.352 -5.210 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.001 -8.609 -6.523 1.00 0.00 H new ATOM 0 HE21 GLN A 6 65.488 -7.566 -6.228 1.00 0.00 H new ATOM 0 HE22 GLN A 6 66.056 -8.639 -7.511 1.00 0.00 H new ATOM 84 N GLN A 7 60.808 -3.860 -6.626 1.00 0.00 N ATOM 85 CA GLN A 7 60.546 -2.535 -5.996 1.00 0.00 C ATOM 86 C GLN A 7 59.132 -2.500 -5.413 1.00 0.00 C ATOM 87 O GLN A 7 58.922 -2.066 -4.300 1.00 0.00 O ATOM 88 CB GLN A 7 60.681 -1.520 -7.132 1.00 0.00 C ATOM 89 CG GLN A 7 61.989 -0.745 -6.971 1.00 0.00 C ATOM 90 CD GLN A 7 62.424 -0.188 -8.328 1.00 0.00 C ATOM 91 OE1 GLN A 7 61.661 0.481 -8.997 1.00 0.00 O ATOM 92 NE2 GLN A 7 63.628 -0.437 -8.766 1.00 0.00 N ATOM 0 H GLN A 7 60.724 -3.882 -7.642 1.00 0.00 H new ATOM 0 HA GLN A 7 61.235 -2.324 -5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 7 60.665 -2.031 -8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.835 -0.833 -7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.856 0.069 -6.258 1.00 0.00 H new ATOM 0 HG3 GLN A 7 62.764 -1.398 -6.569 1.00 0.00 H new ATOM 0 HE21 GLN A 7 64.269 -0.998 -8.205 1.00 0.00 H new ATOM 0 HE22 GLN A 7 63.928 -0.070 -9.669 1.00 0.00 H new ATOM 101 N ALA A 8 58.163 -2.952 -6.161 1.00 0.00 N ATOM 102 CA ALA A 8 56.759 -2.944 -5.655 1.00 0.00 C ATOM 103 C ALA A 8 56.637 -3.821 -4.405 1.00 0.00 C ATOM 104 O ALA A 8 56.197 -3.374 -3.364 1.00 0.00 O ATOM 105 CB ALA A 8 55.924 -3.522 -6.797 1.00 0.00 C ATOM 0 H ALA A 8 58.282 -3.327 -7.102 1.00 0.00 H new ATOM 0 HA ALA A 8 56.430 -1.944 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.875 -3.550 -6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 8 56.036 -2.896 -7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.265 -4.533 -7.022 1.00 0.00 H new ATOM 111 N GLU A 9 57.019 -5.065 -4.499 1.00 0.00 N ATOM 112 CA GLU A 9 56.920 -5.962 -3.313 1.00 0.00 C ATOM 113 C GLU A 9 57.908 -5.519 -2.231 1.00 0.00 C ATOM 114 O GLU A 9 57.896 -6.019 -1.124 1.00 0.00 O ATOM 115 CB GLU A 9 57.282 -7.353 -3.836 1.00 0.00 C ATOM 116 CG GLU A 9 58.781 -7.416 -4.130 1.00 0.00 C ATOM 117 CD GLU A 9 59.042 -8.442 -5.235 1.00 0.00 C ATOM 118 OE1 GLU A 9 58.528 -8.251 -6.325 1.00 0.00 O ATOM 119 OE2 GLU A 9 59.751 -9.400 -4.973 1.00 0.00 O ATOM 0 H GLU A 9 57.394 -5.498 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 9 55.928 -5.943 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.013 -8.111 -3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 9 56.714 -7.572 -4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 9 59.144 -6.435 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 9 59.328 -7.690 -3.228 1.00 0.00 H new ATOM 126 N ALA A 10 58.765 -4.586 -2.544 1.00 0.00 N ATOM 127 CA ALA A 10 59.755 -4.113 -1.534 1.00 0.00 C ATOM 128 C ALA A 10 59.100 -3.119 -0.568 1.00 0.00 C ATOM 129 O ALA A 10 59.571 -2.912 0.533 1.00 0.00 O ATOM 130 CB ALA A 10 60.861 -3.437 -2.346 1.00 0.00 C ATOM 0 H ALA A 10 58.823 -4.131 -3.455 1.00 0.00 H new ATOM 0 HA ALA A 10 60.143 -4.929 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.630 -3.061 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.302 -4.160 -3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.440 -2.607 -2.914 1.00 0.00 H new ATOM 136 N ARG A 11 58.018 -2.501 -0.965 1.00 0.00 N ATOM 137 CA ARG A 11 57.346 -1.524 -0.054 1.00 0.00 C ATOM 138 C ARG A 11 56.154 -2.190 0.634 1.00 0.00 C ATOM 139 O ARG A 11 55.938 -2.031 1.819 1.00 0.00 O ATOM 140 CB ARG A 11 56.853 -0.371 -0.940 1.00 0.00 C ATOM 141 CG ARG A 11 57.817 -0.117 -2.103 1.00 0.00 C ATOM 142 CD ARG A 11 57.099 -0.412 -3.421 1.00 0.00 C ATOM 143 NE ARG A 11 57.925 0.252 -4.467 1.00 0.00 N ATOM 144 CZ ARG A 11 57.386 1.147 -5.251 1.00 0.00 C ATOM 145 NH1 ARG A 11 57.040 2.311 -4.772 1.00 0.00 N ATOM 146 NH2 ARG A 11 57.195 0.878 -6.514 1.00 0.00 N ATOM 0 H ARG A 11 57.572 -2.628 -1.874 1.00 0.00 H new ATOM 0 HA ARG A 11 58.029 -1.170 0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 11 55.862 -0.606 -1.330 1.00 0.00 H new ATOM 0 HB3 ARG A 11 56.754 0.535 -0.342 1.00 0.00 H new ATOM 0 HG2 ARG A 11 58.163 0.917 -2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.699 -0.750 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.025 -1.485 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.082 -0.019 -3.413 1.00 0.00 H new ATOM 0 HE ARG A 11 58.910 0.008 -4.571 1.00 0.00 H new ATOM 0 HH11 ARG A 11 57.191 2.522 -3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 11 56.619 3.010 -5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 11 57.467 -0.031 -6.889 1.00 0.00 H new ATOM 0 HH22 ARG A 11 56.774 1.577 -7.126 1.00 0.00 H new ATOM 160 N ALA A 12 55.374 -2.930 -0.104 1.00 0.00 N ATOM 161 CA ALA A 12 54.190 -3.602 0.500 1.00 0.00 C ATOM 162 C ALA A 12 54.602 -4.377 1.754 1.00 0.00 C ATOM 163 O ALA A 12 53.819 -4.563 2.663 1.00 0.00 O ATOM 164 CB ALA A 12 53.686 -4.555 -0.584 1.00 0.00 C ATOM 0 H ALA A 12 55.506 -3.099 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 12 53.422 -2.893 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.811 -5.092 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.417 -3.985 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.471 -5.269 -0.835 1.00 0.00 H new ATOM 170 N PHE A 13 55.825 -4.827 1.813 1.00 0.00 N ATOM 171 CA PHE A 13 56.279 -5.584 3.013 1.00 0.00 C ATOM 172 C PHE A 13 55.886 -4.830 4.285 1.00 0.00 C ATOM 173 O PHE A 13 55.463 -5.416 5.262 1.00 0.00 O ATOM 174 CB PHE A 13 57.801 -5.659 2.883 1.00 0.00 C ATOM 175 CG PHE A 13 58.393 -6.107 4.197 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.851 -7.208 4.869 1.00 0.00 C ATOM 177 CD2 PHE A 13 59.484 -5.420 4.742 1.00 0.00 C ATOM 178 CE1 PHE A 13 58.400 -7.623 6.089 1.00 0.00 C ATOM 179 CE2 PHE A 13 60.034 -5.835 5.961 1.00 0.00 C ATOM 180 CZ PHE A 13 59.491 -6.937 6.634 1.00 0.00 C ATOM 0 H PHE A 13 56.528 -4.704 1.084 1.00 0.00 H new ATOM 0 HA PHE A 13 55.828 -6.574 3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 13 58.076 -6.356 2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 13 58.202 -4.685 2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 13 57.010 -7.738 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 13 59.901 -4.570 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.981 -8.472 6.609 1.00 0.00 H new ATOM 0 HE2 PHE A 13 60.876 -5.306 6.382 1.00 0.00 H new ATOM 0 HZ PHE A 13 59.915 -7.257 7.574 1.00 0.00 H new ATOM 190 N LEU A 14 56.019 -3.532 4.280 1.00 0.00 N ATOM 191 CA LEU A 14 55.652 -2.735 5.486 1.00 0.00 C ATOM 192 C LEU A 14 54.503 -1.778 5.156 1.00 0.00 C ATOM 193 O LEU A 14 54.308 -1.397 4.019 1.00 0.00 O ATOM 194 CB LEU A 14 56.916 -1.952 5.843 1.00 0.00 C ATOM 195 CG LEU A 14 58.110 -2.905 5.901 1.00 0.00 C ATOM 196 CD1 LEU A 14 59.410 -2.100 5.855 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.057 -3.711 7.202 1.00 0.00 C ATOM 0 H LEU A 14 56.367 -2.987 3.491 1.00 0.00 H new ATOM 0 HA LEU A 14 55.316 -3.364 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 14 57.095 -1.173 5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.788 -1.454 6.804 1.00 0.00 H new ATOM 0 HG LEU A 14 58.073 -3.584 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 14 60.261 -2.780 5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 14 59.450 -1.525 4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 14 59.447 -1.420 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.908 -4.391 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.093 -3.031 8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 14 57.132 -4.286 7.236 1.00 0.00 H new ATOM 209 N SER A 15 53.742 -1.387 6.141 1.00 0.00 N ATOM 210 CA SER A 15 52.606 -0.454 5.883 1.00 0.00 C ATOM 211 C SER A 15 53.107 0.991 5.850 1.00 0.00 C ATOM 212 O SER A 15 54.276 1.260 6.047 1.00 0.00 O ATOM 213 CB SER A 15 51.649 -0.663 7.055 1.00 0.00 C ATOM 214 OG SER A 15 52.386 -0.650 8.271 1.00 0.00 O ATOM 0 H SER A 15 53.857 -1.672 7.113 1.00 0.00 H new ATOM 0 HA SER A 15 52.124 -0.645 4.924 1.00 0.00 H new ATOM 0 HB2 SER A 15 50.893 0.122 7.066 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.123 -1.611 6.945 1.00 0.00 H new ATOM 0 HG SER A 15 51.775 -0.782 9.025 1.00 0.00 H new ATOM 220 N GLU A 16 52.229 1.926 5.603 1.00 0.00 N ATOM 221 CA GLU A 16 52.655 3.355 5.559 1.00 0.00 C ATOM 222 C GLU A 16 53.357 3.738 6.865 1.00 0.00 C ATOM 223 O GLU A 16 54.286 4.521 6.874 1.00 0.00 O ATOM 224 CB GLU A 16 51.359 4.148 5.395 1.00 0.00 C ATOM 225 CG GLU A 16 50.563 4.100 6.702 1.00 0.00 C ATOM 226 CD GLU A 16 49.179 4.713 6.480 1.00 0.00 C ATOM 227 OE1 GLU A 16 48.816 4.908 5.332 1.00 0.00 O ATOM 228 OE2 GLU A 16 48.507 4.978 7.462 1.00 0.00 O ATOM 0 H GLU A 16 51.237 1.763 5.430 1.00 0.00 H new ATOM 0 HA GLU A 16 53.359 3.552 4.751 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.583 5.181 5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.766 3.732 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.465 3.069 7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.093 4.645 7.483 1.00 0.00 H new ATOM 235 N GLU A 17 52.918 3.194 7.967 1.00 0.00 N ATOM 236 CA GLU A 17 53.560 3.528 9.270 1.00 0.00 C ATOM 237 C GLU A 17 55.086 3.463 9.140 1.00 0.00 C ATOM 238 O GLU A 17 55.762 4.473 9.154 1.00 0.00 O ATOM 239 CB GLU A 17 53.056 2.464 10.245 1.00 0.00 C ATOM 240 CG GLU A 17 51.684 2.876 10.784 1.00 0.00 C ATOM 241 CD GLU A 17 51.778 3.109 12.293 1.00 0.00 C ATOM 242 OE1 GLU A 17 52.709 2.599 12.895 1.00 0.00 O ATOM 243 OE2 GLU A 17 50.916 3.791 12.822 1.00 0.00 O ATOM 0 H GLU A 17 52.143 2.533 8.021 1.00 0.00 H new ATOM 0 HA GLU A 17 53.314 4.535 9.606 1.00 0.00 H new ATOM 0 HB2 GLU A 17 52.987 1.499 9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.761 2.346 11.068 1.00 0.00 H new ATOM 0 HG2 GLU A 17 51.343 3.784 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 17 50.949 2.100 10.570 1.00 0.00 H new ATOM 250 N MET A 18 55.632 2.285 9.013 1.00 0.00 N ATOM 251 CA MET A 18 57.113 2.163 8.882 1.00 0.00 C ATOM 252 C MET A 18 57.598 2.929 7.649 1.00 0.00 C ATOM 253 O MET A 18 58.512 3.726 7.720 1.00 0.00 O ATOM 254 CB MET A 18 57.376 0.666 8.718 1.00 0.00 C ATOM 255 CG MET A 18 58.871 0.432 8.495 1.00 0.00 C ATOM 256 SD MET A 18 59.372 -1.101 9.317 1.00 0.00 S ATOM 257 CE MET A 18 59.203 -0.512 11.019 1.00 0.00 C ATOM 0 H MET A 18 55.119 1.403 8.994 1.00 0.00 H new ATOM 0 HA MET A 18 57.638 2.577 9.743 1.00 0.00 H new ATOM 0 HB2 MET A 18 57.041 0.128 9.605 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.806 0.276 7.874 1.00 0.00 H new ATOM 0 HG2 MET A 18 59.085 0.372 7.428 1.00 0.00 H new ATOM 0 HG3 MET A 18 59.444 1.272 8.888 1.00 0.00 H new ATOM 0 HE1 MET A 18 60.080 -0.807 11.595 1.00 0.00 H new ATOM 0 HE2 MET A 18 59.116 0.574 11.021 1.00 0.00 H new ATOM 0 HE3 MET A 18 58.311 -0.949 11.468 1.00 0.00 H new ATOM 267 N ILE A 19 56.993 2.696 6.518 1.00 0.00 N ATOM 268 CA ILE A 19 57.421 3.413 5.284 1.00 0.00 C ATOM 269 C ILE A 19 57.610 4.903 5.577 1.00 0.00 C ATOM 270 O ILE A 19 58.574 5.511 5.156 1.00 0.00 O ATOM 271 CB ILE A 19 56.280 3.205 4.289 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.329 1.772 3.752 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.427 4.189 3.128 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.013 1.446 3.044 1.00 0.00 C ATOM 0 H ILE A 19 56.221 2.041 6.394 1.00 0.00 H new ATOM 0 HA ILE A 19 58.371 3.041 4.900 1.00 0.00 H new ATOM 0 HB ILE A 19 55.327 3.375 4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.164 1.660 3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.497 1.072 4.570 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.613 4.040 2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.393 5.210 3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.380 4.020 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.048 0.426 2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.187 1.541 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 19 54.864 2.139 2.216 1.00 0.00 H new ATOM 286 N ALA A 20 56.695 5.496 6.294 1.00 0.00 N ATOM 287 CA ALA A 20 56.822 6.947 6.612 1.00 0.00 C ATOM 288 C ALA A 20 57.971 7.175 7.599 1.00 0.00 C ATOM 289 O ALA A 20 58.486 8.268 7.725 1.00 0.00 O ATOM 290 CB ALA A 20 55.485 7.331 7.248 1.00 0.00 C ATOM 0 H ALA A 20 55.866 5.039 6.673 1.00 0.00 H new ATOM 0 HA ALA A 20 57.040 7.546 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.498 8.389 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.678 7.144 6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.325 6.735 8.146 1.00 0.00 H new ATOM 296 N GLU A 21 58.376 6.152 8.302 1.00 0.00 N ATOM 297 CA GLU A 21 59.489 6.315 9.280 1.00 0.00 C ATOM 298 C GLU A 21 60.838 6.315 8.555 1.00 0.00 C ATOM 299 O GLU A 21 61.780 6.953 8.979 1.00 0.00 O ATOM 300 CB GLU A 21 59.381 5.105 10.210 1.00 0.00 C ATOM 301 CG GLU A 21 60.667 4.976 11.027 1.00 0.00 C ATOM 302 CD GLU A 21 60.875 6.243 11.856 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.888 6.808 12.298 1.00 0.00 O ATOM 304 OE2 GLU A 21 62.019 6.629 12.035 1.00 0.00 O ATOM 0 H GLU A 21 57.985 5.212 8.241 1.00 0.00 H new ATOM 0 HA GLU A 21 59.423 7.256 9.825 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.525 5.219 10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.215 4.199 9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.609 4.106 11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.518 4.819 10.364 1.00 0.00 H new ATOM 311 N PHE A 22 60.939 5.604 7.466 1.00 0.00 N ATOM 312 CA PHE A 22 62.229 5.565 6.718 1.00 0.00 C ATOM 313 C PHE A 22 62.416 6.855 5.915 1.00 0.00 C ATOM 314 O PHE A 22 63.522 7.259 5.623 1.00 0.00 O ATOM 315 CB PHE A 22 62.109 4.361 5.779 1.00 0.00 C ATOM 316 CG PHE A 22 61.982 3.082 6.580 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.206 3.084 7.964 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.641 1.888 5.932 1.00 0.00 C ATOM 319 CE1 PHE A 22 62.090 1.896 8.696 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.524 0.700 6.663 1.00 0.00 C ATOM 321 CZ PHE A 22 61.749 0.704 8.046 1.00 0.00 C ATOM 0 H PHE A 22 60.185 5.049 7.061 1.00 0.00 H new ATOM 0 HA PHE A 22 63.088 5.479 7.384 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.240 4.481 5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 22 62.984 4.307 5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.468 4.003 8.466 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.468 1.884 4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 22 62.264 1.899 9.762 1.00 0.00 H new ATOM 0 HE2 PHE A 22 61.260 -0.219 6.161 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.659 -0.212 8.610 1.00 0.00 H new ATOM 331 N LYS A 23 61.342 7.501 5.553 1.00 0.00 N ATOM 332 CA LYS A 23 61.461 8.763 4.766 1.00 0.00 C ATOM 333 C LYS A 23 62.404 9.744 5.467 1.00 0.00 C ATOM 334 O LYS A 23 63.498 10.007 5.006 1.00 0.00 O ATOM 335 CB LYS A 23 60.042 9.331 4.715 1.00 0.00 C ATOM 336 CG LYS A 23 59.159 8.424 3.857 1.00 0.00 C ATOM 337 CD LYS A 23 59.558 8.568 2.387 1.00 0.00 C ATOM 338 CE LYS A 23 58.561 9.486 1.676 1.00 0.00 C ATOM 339 NZ LYS A 23 58.359 8.869 0.335 1.00 0.00 N ATOM 0 H LYS A 23 60.388 7.211 5.767 1.00 0.00 H new ATOM 0 HA LYS A 23 61.870 8.589 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.633 9.407 5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.057 10.339 4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.267 7.387 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 23 58.110 8.690 3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 23 60.565 8.978 2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.575 7.590 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 23 57.622 9.551 2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.951 10.500 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.686 9.442 -0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.268 8.827 -0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 57.981 7.907 0.449 1.00 0.00 H new ATOM 353 N ALA A 24 61.987 10.292 6.575 1.00 0.00 N ATOM 354 CA ALA A 24 62.856 11.261 7.304 1.00 0.00 C ATOM 355 C ALA A 24 64.195 10.612 7.669 1.00 0.00 C ATOM 356 O ALA A 24 65.142 11.284 8.028 1.00 0.00 O ATOM 357 CB ALA A 24 62.074 11.619 8.568 1.00 0.00 C ATOM 0 H ALA A 24 61.081 10.111 7.008 1.00 0.00 H new ATOM 0 HA ALA A 24 63.086 12.139 6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.648 12.331 9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.119 12.065 8.291 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.897 10.717 9.154 1.00 0.00 H new ATOM 363 N ALA A 25 64.284 9.313 7.584 1.00 0.00 N ATOM 364 CA ALA A 25 65.563 8.629 7.930 1.00 0.00 C ATOM 365 C ALA A 25 66.425 8.436 6.678 1.00 0.00 C ATOM 366 O ALA A 25 67.613 8.695 6.685 1.00 0.00 O ATOM 367 CB ALA A 25 65.147 7.277 8.506 1.00 0.00 C ATOM 0 H ALA A 25 63.527 8.696 7.290 1.00 0.00 H new ATOM 0 HA ALA A 25 66.159 9.209 8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.036 6.712 8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.524 7.433 9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.584 6.720 7.757 1.00 0.00 H new ATOM 373 N PHE A 26 65.838 7.980 5.606 1.00 0.00 N ATOM 374 CA PHE A 26 66.629 7.768 4.360 1.00 0.00 C ATOM 375 C PHE A 26 67.062 9.111 3.764 1.00 0.00 C ATOM 376 O PHE A 26 68.184 9.274 3.328 1.00 0.00 O ATOM 377 CB PHE A 26 65.680 7.043 3.405 1.00 0.00 C ATOM 378 CG PHE A 26 66.297 6.996 2.029 1.00 0.00 C ATOM 379 CD1 PHE A 26 67.121 5.922 1.668 1.00 0.00 C ATOM 380 CD2 PHE A 26 66.049 8.026 1.115 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.696 5.881 0.393 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.626 7.985 -0.160 1.00 0.00 C ATOM 383 CZ PHE A 26 67.449 6.912 -0.521 1.00 0.00 C ATOM 0 H PHE A 26 64.848 7.745 5.538 1.00 0.00 H new ATOM 0 HA PHE A 26 67.539 7.197 4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.487 6.032 3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.720 7.557 3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 26 67.312 5.127 2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.412 8.853 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 26 68.331 5.053 0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 26 66.436 8.781 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.893 6.880 -1.505 1.00 0.00 H new ATOM 393 N ASP A 27 66.179 10.073 3.738 1.00 0.00 N ATOM 394 CA ASP A 27 66.540 11.403 3.166 1.00 0.00 C ATOM 395 C ASP A 27 67.664 12.049 3.981 1.00 0.00 C ATOM 396 O ASP A 27 68.236 13.045 3.584 1.00 0.00 O ATOM 397 CB ASP A 27 65.260 12.235 3.265 1.00 0.00 C ATOM 398 CG ASP A 27 64.445 12.074 1.981 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.078 10.952 1.673 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.203 13.074 1.327 1.00 0.00 O ATOM 0 H ASP A 27 65.224 9.996 4.088 1.00 0.00 H new ATOM 0 HA ASP A 27 66.901 11.325 2.140 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.671 11.915 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.507 13.285 3.422 1.00 0.00 H new ATOM 405 N MET A 28 67.983 11.493 5.117 1.00 0.00 N ATOM 406 CA MET A 28 69.069 12.078 5.953 1.00 0.00 C ATOM 407 C MET A 28 70.338 12.278 5.119 1.00 0.00 C ATOM 408 O MET A 28 71.191 13.075 5.454 1.00 0.00 O ATOM 409 CB MET A 28 69.310 11.050 7.059 1.00 0.00 C ATOM 410 CG MET A 28 68.096 11.005 7.989 1.00 0.00 C ATOM 411 SD MET A 28 67.819 12.645 8.701 1.00 0.00 S ATOM 412 CE MET A 28 69.492 12.898 9.345 1.00 0.00 C ATOM 0 H MET A 28 67.539 10.659 5.502 1.00 0.00 H new ATOM 0 HA MET A 28 68.800 13.056 6.353 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.484 10.066 6.624 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.205 11.311 7.624 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.213 10.683 7.437 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.259 10.275 8.782 1.00 0.00 H new ATOM 0 HE1 MET A 28 69.457 13.586 10.189 1.00 0.00 H new ATOM 0 HE2 MET A 28 69.904 11.943 9.672 1.00 0.00 H new ATOM 0 HE3 MET A 28 70.124 13.317 8.562 1.00 0.00 H new ATOM 422 N PHE A 29 70.475 11.558 4.037 1.00 0.00 N ATOM 423 CA PHE A 29 71.697 11.713 3.190 1.00 0.00 C ATOM 424 C PHE A 29 71.308 12.087 1.757 1.00 0.00 C ATOM 425 O PHE A 29 71.828 11.544 0.802 1.00 0.00 O ATOM 426 CB PHE A 29 72.388 10.345 3.214 1.00 0.00 C ATOM 427 CG PHE A 29 72.280 9.741 4.595 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.159 8.974 4.932 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.294 9.953 5.536 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.053 8.418 6.211 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.187 9.397 6.816 1.00 0.00 C ATOM 432 CZ PHE A 29 72.066 8.630 7.153 1.00 0.00 C ATOM 0 H PHE A 29 69.798 10.872 3.703 1.00 0.00 H new ATOM 0 HA PHE A 29 72.349 12.503 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.929 9.682 2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.436 10.452 2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.377 8.812 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.158 10.545 5.275 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.189 7.825 6.472 1.00 0.00 H new ATOM 0 HE2 PHE A 29 73.969 9.560 7.543 1.00 0.00 H new ATOM 0 HZ PHE A 29 71.983 8.201 8.141 1.00 0.00 H new ATOM 442 N ASP A 30 70.402 13.013 1.598 1.00 0.00 N ATOM 443 CA ASP A 30 69.989 13.419 0.222 1.00 0.00 C ATOM 444 C ASP A 30 71.097 14.247 -0.435 1.00 0.00 C ATOM 445 O ASP A 30 71.030 15.458 -0.491 1.00 0.00 O ATOM 446 CB ASP A 30 68.731 14.266 0.420 1.00 0.00 C ATOM 447 CG ASP A 30 67.644 13.797 -0.550 1.00 0.00 C ATOM 448 OD1 ASP A 30 67.950 13.643 -1.721 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.525 13.602 -0.105 1.00 0.00 O ATOM 0 H ASP A 30 69.931 13.505 2.357 1.00 0.00 H new ATOM 0 HA ASP A 30 69.804 12.562 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.379 14.179 1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.957 15.318 0.249 1.00 0.00 H new ATOM 454 N ALA A 31 72.118 13.600 -0.928 1.00 0.00 N ATOM 455 CA ALA A 31 73.233 14.349 -1.578 1.00 0.00 C ATOM 456 C ALA A 31 72.723 15.112 -2.804 1.00 0.00 C ATOM 457 O ALA A 31 73.150 16.215 -3.080 1.00 0.00 O ATOM 458 CB ALA A 31 74.239 13.276 -1.994 1.00 0.00 C ATOM 0 H ALA A 31 72.229 12.586 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 31 73.675 15.088 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 31 75.093 13.747 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 31 74.579 12.734 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 31 73.764 12.581 -2.686 1.00 0.00 H new ATOM 464 N ASP A 32 71.815 14.534 -3.541 1.00 0.00 N ATOM 465 CA ASP A 32 71.285 15.232 -4.749 1.00 0.00 C ATOM 466 C ASP A 32 69.992 15.977 -4.406 1.00 0.00 C ATOM 467 O ASP A 32 69.738 17.057 -4.903 1.00 0.00 O ATOM 468 CB ASP A 32 71.012 14.121 -5.764 1.00 0.00 C ATOM 469 CG ASP A 32 72.261 13.890 -6.615 1.00 0.00 C ATOM 470 OD1 ASP A 32 72.810 14.865 -7.102 1.00 0.00 O ATOM 471 OD2 ASP A 32 72.647 12.743 -6.767 1.00 0.00 O ATOM 0 H ASP A 32 71.418 13.612 -3.361 1.00 0.00 H new ATOM 0 HA ASP A 32 71.984 15.973 -5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 32 70.736 13.202 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 32 70.171 14.394 -6.401 1.00 0.00 H new ATOM 476 N GLY A 33 69.175 15.411 -3.562 1.00 0.00 N ATOM 477 CA GLY A 33 67.901 16.090 -3.191 1.00 0.00 C ATOM 478 C GLY A 33 66.779 15.606 -4.110 1.00 0.00 C ATOM 479 O GLY A 33 65.889 16.352 -4.467 1.00 0.00 O ATOM 0 H GLY A 33 69.334 14.509 -3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.652 15.876 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 33 68.014 17.171 -3.276 1.00 0.00 H new ATOM 483 N GLY A 34 66.813 14.360 -4.496 1.00 0.00 N ATOM 484 CA GLY A 34 65.749 13.827 -5.392 1.00 0.00 C ATOM 485 C GLY A 34 65.237 12.496 -4.841 1.00 0.00 C ATOM 486 O GLY A 34 64.642 11.707 -5.549 1.00 0.00 O ATOM 0 H GLY A 34 67.532 13.688 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 34 64.929 14.542 -5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.143 13.689 -6.399 1.00 0.00 H new ATOM 490 N GLY A 35 65.465 12.237 -3.582 1.00 0.00 N ATOM 491 CA GLY A 35 64.991 10.955 -2.988 1.00 0.00 C ATOM 492 C GLY A 35 66.039 9.865 -3.222 1.00 0.00 C ATOM 493 O GLY A 35 65.714 8.710 -3.409 1.00 0.00 O ATOM 0 H GLY A 35 65.958 12.857 -2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 35 64.814 11.081 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.041 10.663 -3.437 1.00 0.00 H new ATOM 497 N ASP A 36 67.294 10.224 -3.214 1.00 0.00 N ATOM 498 CA ASP A 36 68.362 9.206 -3.436 1.00 0.00 C ATOM 499 C ASP A 36 69.684 9.692 -2.840 1.00 0.00 C ATOM 500 O ASP A 36 70.173 10.754 -3.170 1.00 0.00 O ATOM 501 CB ASP A 36 68.473 9.073 -4.956 1.00 0.00 C ATOM 502 CG ASP A 36 68.831 10.431 -5.562 1.00 0.00 C ATOM 503 OD1 ASP A 36 68.528 11.435 -4.938 1.00 0.00 O ATOM 504 OD2 ASP A 36 69.402 10.444 -6.640 1.00 0.00 O ATOM 0 H ASP A 36 67.626 11.177 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 36 68.131 8.253 -2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 36 69.234 8.336 -5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.530 8.715 -5.370 1.00 0.00 H new ATOM 509 N ILE A 37 70.268 8.922 -1.963 1.00 0.00 N ATOM 510 CA ILE A 37 71.559 9.341 -1.345 1.00 0.00 C ATOM 511 C ILE A 37 72.728 8.606 -2.006 1.00 0.00 C ATOM 512 O ILE A 37 72.540 7.668 -2.755 1.00 0.00 O ATOM 513 CB ILE A 37 71.440 8.946 0.126 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.503 7.422 0.252 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.107 9.447 0.683 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.163 7.015 1.686 1.00 0.00 C ATOM 0 H ILE A 37 69.908 8.021 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 37 71.747 10.408 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 37 72.260 9.392 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.803 6.960 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.498 7.065 -0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 37 70.022 9.165 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.060 10.532 0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.287 9.001 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.208 5.930 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 37 71.880 7.466 2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.159 7.359 1.933 1.00 0.00 H new ATOM 528 N SER A 38 73.933 9.025 -1.734 1.00 0.00 N ATOM 529 CA SER A 38 75.114 8.352 -2.345 1.00 0.00 C ATOM 530 C SER A 38 75.095 6.855 -2.028 1.00 0.00 C ATOM 531 O SER A 38 74.983 6.453 -0.887 1.00 0.00 O ATOM 532 CB SER A 38 76.327 9.021 -1.700 1.00 0.00 C ATOM 533 OG SER A 38 77.119 9.632 -2.710 1.00 0.00 O ATOM 0 H SER A 38 74.151 9.805 -1.114 1.00 0.00 H new ATOM 0 HA SER A 38 75.126 8.445 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.002 9.767 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.917 8.284 -1.156 1.00 0.00 H new ATOM 0 HG SER A 38 77.897 10.064 -2.299 1.00 0.00 H new ATOM 539 N THR A 39 75.204 6.024 -3.029 1.00 0.00 N ATOM 540 CA THR A 39 75.192 4.554 -2.782 1.00 0.00 C ATOM 541 C THR A 39 76.110 4.211 -1.605 1.00 0.00 C ATOM 542 O THR A 39 75.912 3.230 -0.916 1.00 0.00 O ATOM 543 CB THR A 39 75.720 3.929 -4.073 1.00 0.00 C ATOM 544 OG1 THR A 39 76.942 4.558 -4.436 1.00 0.00 O ATOM 545 CG2 THR A 39 74.694 4.119 -5.191 1.00 0.00 C ATOM 0 H THR A 39 75.301 6.299 -4.006 1.00 0.00 H new ATOM 0 HA THR A 39 74.198 4.185 -2.530 1.00 0.00 H new ATOM 0 HB THR A 39 75.891 2.864 -3.918 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.283 4.157 -5.263 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.072 3.673 -6.111 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.758 3.636 -4.911 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.520 5.184 -5.349 1.00 0.00 H new ATOM 553 N LYS A 40 77.114 5.011 -1.372 1.00 0.00 N ATOM 554 CA LYS A 40 78.044 4.731 -0.241 1.00 0.00 C ATOM 555 C LYS A 40 77.322 4.908 1.097 1.00 0.00 C ATOM 556 O LYS A 40 77.746 4.398 2.114 1.00 0.00 O ATOM 557 CB LYS A 40 79.162 5.765 -0.386 1.00 0.00 C ATOM 558 CG LYS A 40 80.512 5.050 -0.486 1.00 0.00 C ATOM 559 CD LYS A 40 81.636 6.037 -0.166 1.00 0.00 C ATOM 560 CE LYS A 40 82.654 5.370 0.762 1.00 0.00 C ATOM 561 NZ LYS A 40 83.738 6.379 0.929 1.00 0.00 N ATOM 0 H LYS A 40 77.331 5.846 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 40 78.424 3.710 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 40 78.995 6.374 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.159 6.441 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.543 4.210 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 40 80.646 4.642 -1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 40 82.124 6.360 -1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 40 81.227 6.929 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.204 5.111 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 40 83.037 4.446 0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 84.476 5.996 1.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 84.151 6.601 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 83.344 7.245 1.349 1.00 0.00 H new ATOM 575 N GLU A 41 76.233 5.628 1.105 1.00 0.00 N ATOM 576 CA GLU A 41 75.487 5.835 2.380 1.00 0.00 C ATOM 577 C GLU A 41 74.477 4.704 2.592 1.00 0.00 C ATOM 578 O GLU A 41 73.885 4.578 3.645 1.00 0.00 O ATOM 579 CB GLU A 41 74.765 7.172 2.206 1.00 0.00 C ATOM 580 CG GLU A 41 75.674 8.310 2.678 1.00 0.00 C ATOM 581 CD GLU A 41 77.060 8.149 2.052 1.00 0.00 C ATOM 582 OE1 GLU A 41 77.889 7.490 2.657 1.00 0.00 O ATOM 583 OE2 GLU A 41 77.269 8.688 0.978 1.00 0.00 O ATOM 0 H GLU A 41 75.828 6.081 0.286 1.00 0.00 H new ATOM 0 HA GLU A 41 76.147 5.838 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 41 74.495 7.318 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.837 7.173 2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 41 75.246 9.272 2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 41 75.751 8.301 3.765 1.00 0.00 H new ATOM 590 N LEU A 42 74.273 3.882 1.599 1.00 0.00 N ATOM 591 CA LEU A 42 73.299 2.763 1.749 1.00 0.00 C ATOM 592 C LEU A 42 73.519 2.043 3.082 1.00 0.00 C ATOM 593 O LEU A 42 72.597 1.836 3.845 1.00 0.00 O ATOM 594 CB LEU A 42 73.589 1.823 0.577 1.00 0.00 C ATOM 595 CG LEU A 42 72.276 1.231 0.063 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.659 2.176 -0.970 1.00 0.00 C ATOM 597 CD2 LEU A 42 72.551 -0.126 -0.587 1.00 0.00 C ATOM 0 H LEU A 42 74.737 3.936 0.692 1.00 0.00 H new ATOM 0 HA LEU A 42 72.267 3.113 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.093 2.366 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.261 1.025 0.894 1.00 0.00 H new ATOM 0 HG LEU A 42 71.584 1.103 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.723 1.754 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.464 3.144 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.350 2.305 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.616 -0.550 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.243 0.003 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.990 -0.800 0.149 1.00 0.00 H new ATOM 609 N GLY A 43 74.733 1.661 3.369 1.00 0.00 N ATOM 610 CA GLY A 43 75.007 0.956 4.653 1.00 0.00 C ATOM 611 C GLY A 43 74.506 1.810 5.817 1.00 0.00 C ATOM 612 O GLY A 43 73.861 1.323 6.726 1.00 0.00 O ATOM 0 H GLY A 43 75.546 1.806 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.512 -0.015 4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 43 76.076 0.770 4.758 1.00 0.00 H new ATOM 616 N THR A 44 74.798 3.081 5.799 1.00 0.00 N ATOM 617 CA THR A 44 74.338 3.968 6.906 1.00 0.00 C ATOM 618 C THR A 44 72.814 3.893 7.041 1.00 0.00 C ATOM 619 O THR A 44 72.293 3.474 8.054 1.00 0.00 O ATOM 620 CB THR A 44 74.775 5.374 6.491 1.00 0.00 C ATOM 621 OG1 THR A 44 76.172 5.516 6.708 1.00 0.00 O ATOM 622 CG2 THR A 44 74.019 6.413 7.322 1.00 0.00 C ATOM 0 H THR A 44 75.335 3.544 5.066 1.00 0.00 H new ATOM 0 HA THR A 44 74.756 3.681 7.871 1.00 0.00 H new ATOM 0 HB THR A 44 74.553 5.527 5.435 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.455 6.416 6.441 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.332 7.414 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 44 72.948 6.303 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.239 6.263 8.379 1.00 0.00 H new ATOM 630 N VAL A 45 72.098 4.294 6.026 1.00 0.00 N ATOM 631 CA VAL A 45 70.610 4.240 6.101 1.00 0.00 C ATOM 632 C VAL A 45 70.161 2.872 6.622 1.00 0.00 C ATOM 633 O VAL A 45 69.339 2.773 7.508 1.00 0.00 O ATOM 634 CB VAL A 45 70.131 4.449 4.664 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.650 4.079 4.560 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.317 5.917 4.274 1.00 0.00 C ATOM 0 H VAL A 45 72.477 4.656 5.151 1.00 0.00 H new ATOM 0 HA VAL A 45 70.202 4.991 6.778 1.00 0.00 H new ATOM 0 HB VAL A 45 70.711 3.817 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.309 4.228 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.516 3.034 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.069 4.711 5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.976 6.067 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.736 6.548 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.372 6.182 4.348 1.00 0.00 H new ATOM 646 N MET A 46 70.701 1.817 6.077 1.00 0.00 N ATOM 647 CA MET A 46 70.311 0.455 6.540 1.00 0.00 C ATOM 648 C MET A 46 70.411 0.367 8.065 1.00 0.00 C ATOM 649 O MET A 46 69.437 0.116 8.748 1.00 0.00 O ATOM 650 CB MET A 46 71.317 -0.487 5.885 1.00 0.00 C ATOM 651 CG MET A 46 70.863 -0.805 4.461 1.00 0.00 C ATOM 652 SD MET A 46 69.865 -2.314 4.470 1.00 0.00 S ATOM 653 CE MET A 46 70.196 -2.807 2.762 1.00 0.00 C ATOM 0 H MET A 46 71.396 1.839 5.331 1.00 0.00 H new ATOM 0 HA MET A 46 69.284 0.206 6.273 1.00 0.00 H new ATOM 0 HB2 MET A 46 72.305 -0.027 5.869 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.402 -1.406 6.465 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.283 0.025 4.059 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.729 -0.933 3.812 1.00 0.00 H new ATOM 0 HE1 MET A 46 69.370 -3.415 2.392 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.298 -1.918 2.140 1.00 0.00 H new ATOM 0 HE3 MET A 46 71.119 -3.386 2.723 1.00 0.00 H new ATOM 663 N ARG A 47 71.582 0.573 8.604 1.00 0.00 N ATOM 664 CA ARG A 47 71.744 0.502 10.084 1.00 0.00 C ATOM 665 C ARG A 47 71.003 1.663 10.750 1.00 0.00 C ATOM 666 O ARG A 47 70.549 1.561 11.873 1.00 0.00 O ATOM 667 CB ARG A 47 73.250 0.618 10.323 1.00 0.00 C ATOM 668 CG ARG A 47 73.948 -0.643 9.814 1.00 0.00 C ATOM 669 CD ARG A 47 75.264 -0.840 10.570 1.00 0.00 C ATOM 670 NE ARG A 47 76.313 -0.872 9.515 1.00 0.00 N ATOM 671 CZ ARG A 47 77.279 -1.747 9.582 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.634 -2.241 10.736 1.00 0.00 N ATOM 673 NH2 ARG A 47 77.890 -2.128 8.493 1.00 0.00 N ATOM 0 H ARG A 47 72.433 0.787 8.084 1.00 0.00 H new ATOM 0 HA ARG A 47 71.336 -0.418 10.502 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.643 1.496 9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.451 0.753 11.386 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.303 -1.510 9.954 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.140 -0.558 8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.439 -0.028 11.276 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.254 -1.766 11.145 1.00 0.00 H new ATOM 0 HE ARG A 47 76.277 -0.210 8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.156 -1.943 11.587 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.389 -2.925 10.788 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.612 -1.742 7.591 1.00 0.00 H new ATOM 0 HH22 ARG A 47 78.645 -2.812 8.544 1.00 0.00 H new ATOM 687 N MET A 48 70.875 2.766 10.065 1.00 0.00 N ATOM 688 CA MET A 48 70.162 3.934 10.656 1.00 0.00 C ATOM 689 C MET A 48 68.689 3.590 10.889 1.00 0.00 C ATOM 690 O MET A 48 67.964 4.324 11.529 1.00 0.00 O ATOM 691 CB MET A 48 70.294 5.045 9.614 1.00 0.00 C ATOM 692 CG MET A 48 71.476 5.946 9.974 1.00 0.00 C ATOM 693 SD MET A 48 71.132 6.796 11.535 1.00 0.00 S ATOM 694 CE MET A 48 71.307 8.487 10.914 1.00 0.00 C ATOM 0 H MET A 48 71.234 2.909 9.121 1.00 0.00 H new ATOM 0 HA MET A 48 70.576 4.227 11.620 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.441 4.614 8.624 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.376 5.631 9.574 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.386 5.352 10.063 1.00 0.00 H new ATOM 0 HG3 MET A 48 71.647 6.674 9.181 1.00 0.00 H new ATOM 0 HE1 MET A 48 71.133 9.193 11.726 1.00 0.00 H new ATOM 0 HE2 MET A 48 72.314 8.628 10.520 1.00 0.00 H new ATOM 0 HE3 MET A 48 70.580 8.660 10.121 1.00 0.00 H new ATOM 704 N LEU A 49 68.241 2.479 10.372 1.00 0.00 N ATOM 705 CA LEU A 49 66.815 2.090 10.563 1.00 0.00 C ATOM 706 C LEU A 49 66.711 0.940 11.569 1.00 0.00 C ATOM 707 O LEU A 49 65.729 0.807 12.272 1.00 0.00 O ATOM 708 CB LEU A 49 66.337 1.646 9.180 1.00 0.00 C ATOM 709 CG LEU A 49 66.429 2.824 8.207 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.113 2.346 6.790 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.422 3.902 8.615 1.00 0.00 C ATOM 0 H LEU A 49 68.800 1.824 9.826 1.00 0.00 H new ATOM 0 HA LEU A 49 66.211 2.908 10.957 1.00 0.00 H new ATOM 0 HB2 LEU A 49 66.946 0.816 8.822 1.00 0.00 H new ATOM 0 HB3 LEU A 49 65.310 1.286 9.236 1.00 0.00 H new ATOM 0 HG LEU A 49 67.438 3.236 8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.179 3.187 6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.829 1.578 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.105 1.932 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.487 4.741 7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.414 3.487 8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.647 4.246 9.625 1.00 0.00 H new ATOM 723 N GLY A 50 67.716 0.110 11.650 1.00 0.00 N ATOM 724 CA GLY A 50 67.668 -1.023 12.620 1.00 0.00 C ATOM 725 C GLY A 50 68.096 -2.322 11.934 1.00 0.00 C ATOM 726 O GLY A 50 68.117 -3.374 12.543 1.00 0.00 O ATOM 0 H GLY A 50 68.566 0.167 11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 50 68.324 -0.816 13.465 1.00 0.00 H new ATOM 0 HA3 GLY A 50 66.659 -1.128 13.018 1.00 0.00 H new ATOM 730 N GLN A 51 68.437 -2.267 10.675 1.00 0.00 N ATOM 731 CA GLN A 51 68.860 -3.512 9.966 1.00 0.00 C ATOM 732 C GLN A 51 70.374 -3.702 10.087 1.00 0.00 C ATOM 733 O GLN A 51 71.032 -3.038 10.864 1.00 0.00 O ATOM 734 CB GLN A 51 68.458 -3.306 8.502 1.00 0.00 C ATOM 735 CG GLN A 51 67.084 -2.631 8.425 1.00 0.00 C ATOM 736 CD GLN A 51 66.131 -3.280 9.433 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.256 -4.551 9.705 1.00 0.00 O flip ATOM 738 NE2 GLN A 51 65.265 -2.625 9.978 1.00 0.00 N flip ATOM 0 H GLN A 51 68.442 -1.419 10.108 1.00 0.00 H new ATOM 0 HA GLN A 51 68.393 -4.401 10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.203 -2.692 7.995 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.430 -4.265 7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.180 -1.566 8.635 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.679 -2.722 7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.167 -1.632 9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 51 64.636 -3.068 10.648 1.00 0.00 H new ATOM 747 N ASN A 52 70.933 -4.608 9.330 1.00 0.00 N ATOM 748 CA ASN A 52 72.404 -4.840 9.413 1.00 0.00 C ATOM 749 C ASN A 52 72.908 -5.546 8.152 1.00 0.00 C ATOM 750 O ASN A 52 73.083 -6.749 8.142 1.00 0.00 O ATOM 751 CB ASN A 52 72.587 -5.736 10.636 1.00 0.00 C ATOM 752 CG ASN A 52 71.874 -7.069 10.404 1.00 0.00 C ATOM 753 OD1 ASN A 52 70.851 -7.117 9.751 1.00 0.00 O ATOM 754 ND2 ASN A 52 72.373 -8.160 10.917 1.00 0.00 N ATOM 0 H ASN A 52 70.437 -5.196 8.660 1.00 0.00 H new ATOM 0 HA ASN A 52 72.964 -3.909 9.495 1.00 0.00 H new ATOM 0 HB2 ASN A 52 73.648 -5.906 10.820 1.00 0.00 H new ATOM 0 HB3 ASN A 52 72.185 -5.246 11.522 1.00 0.00 H new ATOM 0 HD21 ASN A 52 71.904 -9.054 10.770 1.00 0.00 H new ATOM 0 HD22 ASN A 52 73.232 -8.119 11.465 1.00 0.00 H new ATOM 761 N PRO A 53 73.128 -4.769 7.128 1.00 0.00 N ATOM 762 CA PRO A 53 73.623 -5.322 5.844 1.00 0.00 C ATOM 763 C PRO A 53 75.109 -5.677 5.955 1.00 0.00 C ATOM 764 O PRO A 53 75.939 -4.834 6.234 1.00 0.00 O ATOM 765 CB PRO A 53 73.417 -4.177 4.859 1.00 0.00 C ATOM 766 CG PRO A 53 73.430 -2.937 5.694 1.00 0.00 C ATOM 767 CD PRO A 53 72.935 -3.316 7.068 1.00 0.00 C ATOM 0 HA PRO A 53 73.110 -6.236 5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.208 -4.155 4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.473 -4.282 4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.436 -2.521 5.749 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.792 -2.171 5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.498 -2.806 7.850 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.887 -3.047 7.203 1.00 0.00 H new ATOM 775 N THR A 54 75.453 -6.917 5.733 1.00 0.00 N ATOM 776 CA THR A 54 76.887 -7.315 5.822 1.00 0.00 C ATOM 777 C THR A 54 77.718 -6.502 4.826 1.00 0.00 C ATOM 778 O THR A 54 77.291 -6.241 3.719 1.00 0.00 O ATOM 779 CB THR A 54 76.910 -8.799 5.454 1.00 0.00 C ATOM 780 OG1 THR A 54 76.611 -8.948 4.072 1.00 0.00 O ATOM 781 CG2 THR A 54 75.870 -9.551 6.286 1.00 0.00 C ATOM 0 H THR A 54 74.806 -7.669 5.495 1.00 0.00 H new ATOM 0 HA THR A 54 77.307 -7.136 6.812 1.00 0.00 H new ATOM 0 HB THR A 54 77.899 -9.208 5.659 1.00 0.00 H new ATOM 0 HG1 THR A 54 77.258 -9.559 3.661 1.00 0.00 H new ATOM 0 HG21 THR A 54 75.888 -10.608 6.022 1.00 0.00 H new ATOM 0 HG22 THR A 54 76.100 -9.437 7.345 1.00 0.00 H new ATOM 0 HG23 THR A 54 74.879 -9.144 6.084 1.00 0.00 H new ATOM 789 N LYS A 55 78.898 -6.099 5.208 1.00 0.00 N ATOM 790 CA LYS A 55 79.748 -5.302 4.276 1.00 0.00 C ATOM 791 C LYS A 55 79.691 -5.905 2.871 1.00 0.00 C ATOM 792 O LYS A 55 79.395 -5.227 1.906 1.00 0.00 O ATOM 793 CB LYS A 55 81.164 -5.395 4.845 1.00 0.00 C ATOM 794 CG LYS A 55 82.021 -4.268 4.265 1.00 0.00 C ATOM 795 CD LYS A 55 82.673 -3.482 5.403 1.00 0.00 C ATOM 796 CE LYS A 55 82.894 -2.033 4.964 1.00 0.00 C ATOM 797 NZ LYS A 55 83.960 -2.104 3.926 1.00 0.00 N ATOM 0 H LYS A 55 79.311 -6.286 6.122 1.00 0.00 H new ATOM 0 HA LYS A 55 79.414 -4.268 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.136 -5.323 5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.603 -6.363 4.601 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.787 -4.681 3.609 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.405 -3.605 3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.039 -3.512 6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.624 -3.939 5.676 1.00 0.00 H new ATOM 0 HE2 LYS A 55 81.979 -1.599 4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.201 -1.409 5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.334 -1.150 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 84.728 -2.720 4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 83.563 -2.491 3.046 1.00 0.00 H new ATOM 811 N GLU A 56 79.967 -7.174 2.746 1.00 0.00 N ATOM 812 CA GLU A 56 79.919 -7.814 1.401 1.00 0.00 C ATOM 813 C GLU A 56 78.578 -7.510 0.729 1.00 0.00 C ATOM 814 O GLU A 56 78.524 -7.073 -0.403 1.00 0.00 O ATOM 815 CB GLU A 56 80.064 -9.314 1.665 1.00 0.00 C ATOM 816 CG GLU A 56 81.545 -9.665 1.817 1.00 0.00 C ATOM 817 CD GLU A 56 81.848 -10.947 1.041 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.924 -11.710 0.813 1.00 0.00 O ATOM 819 OE2 GLU A 56 82.998 -11.144 0.686 1.00 0.00 O ATOM 0 H GLU A 56 80.223 -7.794 3.515 1.00 0.00 H new ATOM 0 HA GLU A 56 80.701 -7.446 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 56 79.520 -9.589 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.627 -9.882 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 56 82.163 -8.848 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.792 -9.798 2.870 1.00 0.00 H new ATOM 826 N GLU A 57 77.494 -7.731 1.423 1.00 0.00 N ATOM 827 CA GLU A 57 76.159 -7.445 0.825 1.00 0.00 C ATOM 828 C GLU A 57 76.139 -6.022 0.264 1.00 0.00 C ATOM 829 O GLU A 57 75.722 -5.788 -0.854 1.00 0.00 O ATOM 830 CB GLU A 57 75.167 -7.578 1.981 1.00 0.00 C ATOM 831 CG GLU A 57 74.783 -9.048 2.160 1.00 0.00 C ATOM 832 CD GLU A 57 73.452 -9.319 1.455 1.00 0.00 C ATOM 833 OE1 GLU A 57 73.331 -8.952 0.297 1.00 0.00 O ATOM 834 OE2 GLU A 57 72.575 -9.887 2.085 1.00 0.00 O ATOM 0 H GLU A 57 77.475 -8.096 2.375 1.00 0.00 H new ATOM 0 HA GLU A 57 75.916 -8.121 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.610 -7.193 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.277 -6.981 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 57 75.562 -9.691 1.749 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.700 -9.286 3.220 1.00 0.00 H new ATOM 841 N LEU A 58 76.594 -5.069 1.032 1.00 0.00 N ATOM 842 CA LEU A 58 76.610 -3.661 0.546 1.00 0.00 C ATOM 843 C LEU A 58 77.193 -3.602 -0.867 1.00 0.00 C ATOM 844 O LEU A 58 76.500 -3.325 -1.825 1.00 0.00 O ATOM 845 CB LEU A 58 77.513 -2.918 1.529 1.00 0.00 C ATOM 846 CG LEU A 58 76.750 -1.739 2.134 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.277 -0.807 1.016 1.00 0.00 C ATOM 848 CD2 LEU A 58 75.537 -2.261 2.908 1.00 0.00 C ATOM 0 H LEU A 58 76.956 -5.206 1.976 1.00 0.00 H new ATOM 0 HA LEU A 58 75.612 -3.225 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.843 -3.594 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.408 -2.562 1.019 1.00 0.00 H new ATOM 0 HG LEU A 58 77.406 -1.191 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 58 75.733 0.033 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.140 -0.435 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 58 75.621 -1.354 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.992 -1.422 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.882 -2.809 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 58 75.872 -2.925 3.705 1.00 0.00 H new ATOM 860 N ASP A 59 78.465 -3.863 -1.002 1.00 0.00 N ATOM 861 CA ASP A 59 79.090 -3.826 -2.354 1.00 0.00 C ATOM 862 C ASP A 59 78.295 -4.705 -3.322 1.00 0.00 C ATOM 863 O ASP A 59 78.137 -4.383 -4.483 1.00 0.00 O ATOM 864 CB ASP A 59 80.500 -4.382 -2.157 1.00 0.00 C ATOM 865 CG ASP A 59 81.256 -4.338 -3.486 1.00 0.00 C ATOM 866 OD1 ASP A 59 80.604 -4.266 -4.514 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.475 -4.377 -3.452 1.00 0.00 O ATOM 0 H ASP A 59 79.096 -4.100 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 59 79.107 -2.821 -2.775 1.00 0.00 H new ATOM 0 HB2 ASP A 59 81.031 -3.798 -1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 59 80.450 -5.407 -1.788 1.00 0.00 H new ATOM 872 N ALA A 60 77.790 -5.814 -2.851 1.00 0.00 N ATOM 873 CA ALA A 60 77.003 -6.711 -3.745 1.00 0.00 C ATOM 874 C ALA A 60 75.685 -6.037 -4.135 1.00 0.00 C ATOM 875 O ALA A 60 75.273 -6.073 -5.277 1.00 0.00 O ATOM 876 CB ALA A 60 76.738 -7.967 -2.913 1.00 0.00 C ATOM 0 H ALA A 60 77.888 -6.137 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 60 77.530 -6.941 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.161 -8.679 -3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 60 77.687 -8.419 -2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.177 -7.699 -2.018 1.00 0.00 H new ATOM 882 N ILE A 61 75.023 -5.422 -3.194 1.00 0.00 N ATOM 883 CA ILE A 61 73.733 -4.743 -3.513 1.00 0.00 C ATOM 884 C ILE A 61 73.995 -3.466 -4.314 1.00 0.00 C ATOM 885 O ILE A 61 73.355 -3.208 -5.315 1.00 0.00 O ATOM 886 CB ILE A 61 73.114 -4.410 -2.156 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.728 -5.707 -1.441 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.864 -3.551 -2.364 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.292 -5.392 -0.009 1.00 0.00 C ATOM 0 H ILE A 61 75.318 -5.360 -2.220 1.00 0.00 H new ATOM 0 HA ILE A 61 73.074 -5.367 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 61 73.836 -3.862 -1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.919 -6.203 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.574 -6.395 -1.432 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.421 -3.313 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.138 -2.628 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.142 -4.100 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.017 -6.316 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.114 -4.915 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 61 71.434 -4.720 -0.029 1.00 0.00 H new ATOM 901 N ILE A 62 74.932 -2.664 -3.885 1.00 0.00 N ATOM 902 CA ILE A 62 75.231 -1.408 -4.629 1.00 0.00 C ATOM 903 C ILE A 62 75.429 -1.714 -6.114 1.00 0.00 C ATOM 904 O ILE A 62 74.691 -1.246 -6.956 1.00 0.00 O ATOM 905 CB ILE A 62 76.524 -0.876 -4.014 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.221 -0.258 -2.646 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.125 0.191 -4.932 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.496 0.360 -2.070 1.00 0.00 C ATOM 0 H ILE A 62 75.501 -2.824 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 62 74.421 -0.682 -4.557 1.00 0.00 H new ATOM 0 HB ILE A 62 77.233 -1.695 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.447 0.503 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.836 -1.020 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.048 0.571 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.340 -0.247 -5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.416 1.010 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.280 0.800 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.257 -0.413 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.862 1.134 -2.744 1.00 0.00 H new ATOM 920 N GLU A 63 76.416 -2.502 -6.443 1.00 0.00 N ATOM 921 CA GLU A 63 76.652 -2.838 -7.877 1.00 0.00 C ATOM 922 C GLU A 63 75.328 -3.214 -8.547 1.00 0.00 C ATOM 923 O GLU A 63 75.038 -2.796 -9.651 1.00 0.00 O ATOM 924 CB GLU A 63 77.605 -4.034 -7.855 1.00 0.00 C ATOM 925 CG GLU A 63 78.182 -4.256 -9.255 1.00 0.00 C ATOM 926 CD GLU A 63 79.679 -4.551 -9.152 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.024 -5.705 -8.958 1.00 0.00 O ATOM 928 OE2 GLU A 63 80.456 -3.618 -9.269 1.00 0.00 O ATOM 0 H GLU A 63 77.068 -2.927 -5.783 1.00 0.00 H new ATOM 0 HA GLU A 63 77.069 -2.002 -8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.411 -3.857 -7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.076 -4.927 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 63 77.670 -5.086 -9.743 1.00 0.00 H new ATOM 0 HG3 GLU A 63 78.017 -3.373 -9.872 1.00 0.00 H new ATOM 935 N GLU A 64 74.519 -3.997 -7.886 1.00 0.00 N ATOM 936 CA GLU A 64 73.212 -4.395 -8.479 1.00 0.00 C ATOM 937 C GLU A 64 72.363 -3.149 -8.756 1.00 0.00 C ATOM 938 O GLU A 64 71.819 -2.981 -9.829 1.00 0.00 O ATOM 939 CB GLU A 64 72.554 -5.282 -7.415 1.00 0.00 C ATOM 940 CG GLU A 64 71.034 -5.290 -7.603 1.00 0.00 C ATOM 941 CD GLU A 64 70.442 -6.530 -6.932 1.00 0.00 C ATOM 942 OE1 GLU A 64 70.941 -6.908 -5.885 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.498 -7.081 -7.476 1.00 0.00 O ATOM 0 H GLU A 64 74.708 -4.378 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 64 73.322 -4.918 -9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.942 -6.298 -7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.803 -4.915 -6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.599 -4.388 -7.172 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.789 -5.286 -8.665 1.00 0.00 H new ATOM 950 N VAL A 65 72.246 -2.280 -7.792 1.00 0.00 N ATOM 951 CA VAL A 65 71.432 -1.047 -7.990 1.00 0.00 C ATOM 952 C VAL A 65 72.285 0.056 -8.625 1.00 0.00 C ATOM 953 O VAL A 65 71.801 1.123 -8.941 1.00 0.00 O ATOM 954 CB VAL A 65 70.988 -0.645 -6.585 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.290 -1.828 -5.912 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.212 -0.240 -5.760 1.00 0.00 C ATOM 0 H VAL A 65 72.680 -2.370 -6.873 1.00 0.00 H new ATOM 0 HA VAL A 65 70.585 -1.210 -8.656 1.00 0.00 H new ATOM 0 HB VAL A 65 70.297 0.196 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 65 69.973 -1.541 -4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.418 -2.118 -6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 65 70.980 -2.669 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.896 0.047 -4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 65 72.902 -1.081 -5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.711 0.603 -6.239 1.00 0.00 H new ATOM 966 N ASP A 66 73.551 -0.197 -8.811 1.00 0.00 N ATOM 967 CA ASP A 66 74.438 0.834 -9.423 1.00 0.00 C ATOM 968 C ASP A 66 74.685 0.509 -10.899 1.00 0.00 C ATOM 969 O ASP A 66 74.838 1.390 -11.721 1.00 0.00 O ATOM 970 CB ASP A 66 75.744 0.750 -8.630 1.00 0.00 C ATOM 971 CG ASP A 66 76.580 2.006 -8.882 1.00 0.00 C ATOM 972 OD1 ASP A 66 77.112 2.131 -9.973 1.00 0.00 O ATOM 973 OD2 ASP A 66 76.674 2.822 -7.979 1.00 0.00 O ATOM 0 H ASP A 66 74.011 -1.074 -8.566 1.00 0.00 H new ATOM 0 HA ASP A 66 74.001 1.832 -9.386 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.529 0.651 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.304 -0.137 -8.926 1.00 0.00 H new ATOM 978 N GLU A 67 74.723 -0.751 -11.240 1.00 0.00 N ATOM 979 CA GLU A 67 74.960 -1.134 -12.662 1.00 0.00 C ATOM 980 C GLU A 67 73.727 -0.817 -13.511 1.00 0.00 C ATOM 981 O GLU A 67 73.721 -1.010 -14.711 1.00 0.00 O ATOM 982 CB GLU A 67 75.212 -2.641 -12.629 1.00 0.00 C ATOM 983 CG GLU A 67 73.896 -3.371 -12.352 1.00 0.00 C ATOM 984 CD GLU A 67 74.112 -4.880 -12.480 1.00 0.00 C ATOM 985 OE1 GLU A 67 74.368 -5.330 -13.584 1.00 0.00 O ATOM 986 OE2 GLU A 67 74.015 -5.559 -11.471 1.00 0.00 O ATOM 0 H GLU A 67 74.600 -1.532 -10.595 1.00 0.00 H new ATOM 0 HA GLU A 67 75.795 -0.589 -13.101 1.00 0.00 H new ATOM 0 HB2 GLU A 67 75.631 -2.972 -13.579 1.00 0.00 H new ATOM 0 HB3 GLU A 67 75.943 -2.882 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 67 73.537 -3.128 -11.352 1.00 0.00 H new ATOM 0 HG3 GLU A 67 73.130 -3.042 -13.055 1.00 0.00 H new ATOM 993 N ASP A 68 72.679 -0.336 -12.899 1.00 0.00 N ATOM 994 CA ASP A 68 71.449 -0.012 -13.675 1.00 0.00 C ATOM 995 C ASP A 68 71.731 1.124 -14.660 1.00 0.00 C ATOM 996 O ASP A 68 71.345 1.072 -15.811 1.00 0.00 O ATOM 997 CB ASP A 68 70.424 0.427 -12.628 1.00 0.00 C ATOM 998 CG ASP A 68 69.018 0.048 -13.096 1.00 0.00 C ATOM 999 OD1 ASP A 68 68.915 -0.676 -14.073 1.00 0.00 O ATOM 1000 OD2 ASP A 68 68.067 0.487 -12.470 1.00 0.00 O ATOM 0 H ASP A 68 72.622 -0.154 -11.897 1.00 0.00 H new ATOM 0 HA ASP A 68 71.094 -0.860 -14.261 1.00 0.00 H new ATOM 0 HB2 ASP A 68 70.640 -0.048 -11.671 1.00 0.00 H new ATOM 0 HB3 ASP A 68 70.488 1.504 -12.471 1.00 0.00 H new ATOM 1005 N GLY A 69 72.404 2.151 -14.217 1.00 0.00 N ATOM 1006 CA GLY A 69 72.713 3.288 -15.130 1.00 0.00 C ATOM 1007 C GLY A 69 72.167 4.586 -14.532 1.00 0.00 C ATOM 1008 O GLY A 69 71.665 5.440 -15.234 1.00 0.00 O ATOM 0 H GLY A 69 72.753 2.252 -13.264 1.00 0.00 H new ATOM 0 HA2 GLY A 69 73.790 3.368 -15.277 1.00 0.00 H new ATOM 0 HA3 GLY A 69 72.270 3.112 -16.110 1.00 0.00 H new ATOM 1012 N SER A 70 72.264 4.741 -13.239 1.00 0.00 N ATOM 1013 CA SER A 70 71.750 5.985 -12.599 1.00 0.00 C ATOM 1014 C SER A 70 72.860 6.660 -11.788 1.00 0.00 C ATOM 1015 O SER A 70 73.275 7.763 -12.083 1.00 0.00 O ATOM 1016 CB SER A 70 70.622 5.522 -11.680 1.00 0.00 C ATOM 1017 OG SER A 70 69.507 6.390 -11.831 1.00 0.00 O ATOM 0 H SER A 70 72.676 4.061 -12.600 1.00 0.00 H new ATOM 0 HA SER A 70 71.404 6.713 -13.332 1.00 0.00 H new ATOM 0 HB2 SER A 70 70.336 4.499 -11.923 1.00 0.00 H new ATOM 0 HB3 SER A 70 70.959 5.521 -10.643 1.00 0.00 H new ATOM 0 HG SER A 70 68.780 6.094 -11.244 1.00 0.00 H new ATOM 1023 N GLY A 71 73.344 6.006 -10.767 1.00 0.00 N ATOM 1024 CA GLY A 71 74.426 6.611 -9.940 1.00 0.00 C ATOM 1025 C GLY A 71 74.162 6.324 -8.460 1.00 0.00 C ATOM 1026 O GLY A 71 74.697 5.392 -7.894 1.00 0.00 O ATOM 0 H GLY A 71 73.037 5.080 -10.470 1.00 0.00 H new ATOM 0 HA2 GLY A 71 75.393 6.203 -10.233 1.00 0.00 H new ATOM 0 HA3 GLY A 71 74.469 7.687 -10.110 1.00 0.00 H new ATOM 1030 N THR A 72 73.341 7.118 -7.829 1.00 0.00 N ATOM 1031 CA THR A 72 73.045 6.888 -6.385 1.00 0.00 C ATOM 1032 C THR A 72 71.942 5.839 -6.231 1.00 0.00 C ATOM 1033 O THR A 72 71.703 5.039 -7.113 1.00 0.00 O ATOM 1034 CB THR A 72 72.573 8.243 -5.855 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.373 8.617 -6.517 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.649 9.298 -6.112 1.00 0.00 C ATOM 0 H THR A 72 72.863 7.915 -8.249 1.00 0.00 H new ATOM 0 HA THR A 72 73.914 6.518 -5.841 1.00 0.00 H new ATOM 0 HB THR A 72 72.390 8.169 -4.783 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.125 9.528 -6.254 1.00 0.00 H new ATOM 0 HG21 THR A 72 73.311 10.263 -5.734 1.00 0.00 H new ATOM 0 HG22 THR A 72 74.569 9.011 -5.603 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.836 9.374 -7.183 1.00 0.00 H new ATOM 1044 N ILE A 73 71.265 5.838 -5.115 1.00 0.00 N ATOM 1045 CA ILE A 73 70.175 4.843 -4.901 1.00 0.00 C ATOM 1046 C ILE A 73 68.818 5.549 -4.859 1.00 0.00 C ATOM 1047 O ILE A 73 68.659 6.572 -4.220 1.00 0.00 O ATOM 1048 CB ILE A 73 70.489 4.198 -3.552 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.567 2.996 -3.335 1.00 0.00 C ATOM 1050 CG2 ILE A 73 70.266 5.218 -2.434 1.00 0.00 C ATOM 1051 CD1 ILE A 73 70.247 1.730 -3.863 1.00 0.00 C ATOM 0 H ILE A 73 71.420 6.484 -4.341 1.00 0.00 H new ATOM 0 HA ILE A 73 70.123 4.105 -5.702 1.00 0.00 H new ATOM 0 HB ILE A 73 71.528 3.867 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.340 2.885 -2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.619 3.154 -3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.490 4.758 -1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.921 6.075 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 73 69.227 5.549 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 73 69.591 0.873 -3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 73 70.451 1.844 -4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 73 71.184 1.570 -3.329 1.00 0.00 H new ATOM 1063 N ASP A 74 67.839 5.015 -5.535 1.00 0.00 N ATOM 1064 CA ASP A 74 66.494 5.659 -5.532 1.00 0.00 C ATOM 1065 C ASP A 74 65.672 5.161 -4.340 1.00 0.00 C ATOM 1066 O ASP A 74 65.828 4.043 -3.891 1.00 0.00 O ATOM 1067 CB ASP A 74 65.846 5.227 -6.849 1.00 0.00 C ATOM 1068 CG ASP A 74 65.046 6.394 -7.430 1.00 0.00 C ATOM 1069 OD1 ASP A 74 65.664 7.363 -7.842 1.00 0.00 O ATOM 1070 OD2 ASP A 74 63.830 6.298 -7.455 1.00 0.00 O ATOM 0 H ASP A 74 67.911 4.162 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 74 66.555 6.744 -5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 74 66.612 4.909 -7.556 1.00 0.00 H new ATOM 0 HB3 ASP A 74 65.192 4.371 -6.681 1.00 0.00 H new ATOM 1075 N PHE A 75 64.798 5.981 -3.825 1.00 0.00 N ATOM 1076 CA PHE A 75 63.970 5.551 -2.661 1.00 0.00 C ATOM 1077 C PHE A 75 63.114 4.342 -3.041 1.00 0.00 C ATOM 1078 O PHE A 75 63.148 3.316 -2.392 1.00 0.00 O ATOM 1079 CB PHE A 75 63.086 6.755 -2.336 1.00 0.00 C ATOM 1080 CG PHE A 75 62.527 6.604 -0.941 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.490 5.695 -0.697 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.047 7.371 0.109 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.973 5.554 0.596 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.530 7.229 1.402 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.493 6.321 1.645 1.00 0.00 C ATOM 0 H PHE A 75 64.621 6.929 -4.158 1.00 0.00 H new ATOM 0 HA PHE A 75 64.579 5.253 -1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.665 7.676 -2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.274 6.830 -3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 75 61.089 5.103 -1.506 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.847 8.072 -0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.173 4.853 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 75 62.931 7.820 2.212 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.094 6.212 2.643 1.00 0.00 H new ATOM 1095 N GLU A 76 62.346 4.453 -4.090 1.00 0.00 N ATOM 1096 CA GLU A 76 61.491 3.307 -4.508 1.00 0.00 C ATOM 1097 C GLU A 76 62.345 2.047 -4.670 1.00 0.00 C ATOM 1098 O GLU A 76 61.963 0.970 -4.259 1.00 0.00 O ATOM 1099 CB GLU A 76 60.892 3.727 -5.850 1.00 0.00 C ATOM 1100 CG GLU A 76 59.571 4.460 -5.613 1.00 0.00 C ATOM 1101 CD GLU A 76 59.065 5.043 -6.934 1.00 0.00 C ATOM 1102 OE1 GLU A 76 58.338 4.349 -7.624 1.00 0.00 O ATOM 1103 OE2 GLU A 76 59.413 6.174 -7.232 1.00 0.00 O ATOM 0 H GLU A 76 62.274 5.286 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 76 60.719 3.076 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.588 4.374 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.726 2.851 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 76 58.832 3.774 -5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.711 5.256 -4.882 1.00 0.00 H new ATOM 1110 N GLU A 77 63.501 2.176 -5.260 1.00 0.00 N ATOM 1111 CA GLU A 77 64.381 0.986 -5.443 1.00 0.00 C ATOM 1112 C GLU A 77 65.030 0.607 -4.111 1.00 0.00 C ATOM 1113 O GLU A 77 65.058 -0.546 -3.730 1.00 0.00 O ATOM 1114 CB GLU A 77 65.441 1.426 -6.452 1.00 0.00 C ATOM 1115 CG GLU A 77 66.611 0.439 -6.431 1.00 0.00 C ATOM 1116 CD GLU A 77 67.756 0.984 -7.285 1.00 0.00 C ATOM 1117 OE1 GLU A 77 68.113 2.136 -7.097 1.00 0.00 O ATOM 1118 OE2 GLU A 77 68.257 0.241 -8.113 1.00 0.00 O ATOM 0 H GLU A 77 63.875 3.053 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 77 63.830 0.112 -5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 77 65.009 1.472 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.794 2.429 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.950 0.283 -5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 77 66.289 -0.530 -6.812 1.00 0.00 H new ATOM 1125 N PHE A 78 65.549 1.568 -3.398 1.00 0.00 N ATOM 1126 CA PHE A 78 66.188 1.255 -2.091 1.00 0.00 C ATOM 1127 C PHE A 78 65.203 0.489 -1.204 1.00 0.00 C ATOM 1128 O PHE A 78 65.586 -0.370 -0.434 1.00 0.00 O ATOM 1129 CB PHE A 78 66.529 2.613 -1.478 1.00 0.00 C ATOM 1130 CG PHE A 78 66.812 2.443 -0.006 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.819 1.567 0.415 1.00 0.00 C ATOM 1132 CD2 PHE A 78 66.066 3.160 0.936 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.080 1.407 1.782 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.327 3.001 2.303 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.334 2.124 2.725 1.00 0.00 C ATOM 0 H PHE A 78 65.558 2.553 -3.663 1.00 0.00 H new ATOM 0 HA PHE A 78 67.075 0.630 -2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.397 3.043 -1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.701 3.307 -1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.394 1.015 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 78 65.289 3.836 0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 78 68.856 0.731 2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.752 3.554 3.031 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.535 2.001 3.779 1.00 0.00 H new ATOM 1145 N LEU A 79 63.936 0.791 -1.311 1.00 0.00 N ATOM 1146 CA LEU A 79 62.930 0.072 -0.478 1.00 0.00 C ATOM 1147 C LEU A 79 63.249 -1.423 -0.461 1.00 0.00 C ATOM 1148 O LEU A 79 63.065 -2.097 0.532 1.00 0.00 O ATOM 1149 CB LEU A 79 61.586 0.332 -1.161 1.00 0.00 C ATOM 1150 CG LEU A 79 60.964 1.611 -0.599 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.016 2.217 -1.634 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.182 1.278 0.674 1.00 0.00 C ATOM 0 H LEU A 79 63.556 1.501 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 79 62.925 0.411 0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.726 0.426 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.915 -0.512 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 79 61.753 2.327 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.573 3.128 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.571 2.453 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.227 1.502 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.738 2.188 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.394 0.562 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.857 0.846 1.413 1.00 0.00 H new ATOM 1164 N VAL A 80 63.740 -1.944 -1.554 1.00 0.00 N ATOM 1165 CA VAL A 80 64.086 -3.392 -1.597 1.00 0.00 C ATOM 1166 C VAL A 80 65.187 -3.685 -0.578 1.00 0.00 C ATOM 1167 O VAL A 80 65.062 -4.559 0.256 1.00 0.00 O ATOM 1168 CB VAL A 80 64.593 -3.640 -3.018 1.00 0.00 C ATOM 1169 CG1 VAL A 80 64.810 -5.139 -3.228 1.00 0.00 C ATOM 1170 CG2 VAL A 80 63.559 -3.130 -4.025 1.00 0.00 C ATOM 0 H VAL A 80 63.916 -1.429 -2.417 1.00 0.00 H new ATOM 0 HA VAL A 80 63.238 -4.032 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 80 65.535 -3.112 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.171 -5.316 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.546 -5.504 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 80 63.868 -5.667 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.920 -3.307 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 80 62.617 -3.658 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL A 80 63.403 -2.062 -3.877 1.00 0.00 H new ATOM 1180 N MET A 81 66.265 -2.952 -0.634 1.00 0.00 N ATOM 1181 CA MET A 81 67.371 -3.181 0.337 1.00 0.00 C ATOM 1182 C MET A 81 66.817 -3.170 1.762 1.00 0.00 C ATOM 1183 O MET A 81 67.315 -3.847 2.640 1.00 0.00 O ATOM 1184 CB MET A 81 68.335 -2.013 0.121 1.00 0.00 C ATOM 1185 CG MET A 81 69.226 -2.303 -1.088 1.00 0.00 C ATOM 1186 SD MET A 81 68.456 -1.624 -2.580 1.00 0.00 S ATOM 1187 CE MET A 81 68.026 -3.204 -3.351 1.00 0.00 C ATOM 0 H MET A 81 66.427 -2.205 -1.310 1.00 0.00 H new ATOM 0 HA MET A 81 67.865 -4.142 0.193 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.776 -1.091 -0.039 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.948 -1.864 1.010 1.00 0.00 H new ATOM 0 HG2 MET A 81 70.212 -1.862 -0.941 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.371 -3.378 -1.197 1.00 0.00 H new ATOM 0 HE1 MET A 81 67.269 -3.041 -4.118 1.00 0.00 H new ATOM 0 HE2 MET A 81 68.915 -3.641 -3.806 1.00 0.00 H new ATOM 0 HE3 MET A 81 67.635 -3.884 -2.594 1.00 0.00 H new ATOM 1197 N MET A 82 65.780 -2.412 1.998 1.00 0.00 N ATOM 1198 CA MET A 82 65.187 -2.363 3.364 1.00 0.00 C ATOM 1199 C MET A 82 64.506 -3.696 3.682 1.00 0.00 C ATOM 1200 O MET A 82 64.948 -4.444 4.531 1.00 0.00 O ATOM 1201 CB MET A 82 64.155 -1.236 3.311 1.00 0.00 C ATOM 1202 CG MET A 82 64.793 0.017 2.707 1.00 0.00 C ATOM 1203 SD MET A 82 64.016 1.489 3.418 1.00 0.00 S ATOM 1204 CE MET A 82 63.555 2.282 1.859 1.00 0.00 C ATOM 0 H MET A 82 65.318 -1.825 1.303 1.00 0.00 H new ATOM 0 HA MET A 82 65.937 -2.190 4.136 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.297 -1.543 2.714 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.785 -1.021 4.313 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.865 0.025 2.907 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.671 0.015 1.624 1.00 0.00 H new ATOM 0 HE1 MET A 82 63.827 3.337 1.893 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.080 1.798 1.035 1.00 0.00 H new ATOM 0 HE3 MET A 82 62.479 2.190 1.708 1.00 0.00 H new ATOM 1214 N VAL A 83 63.435 -4.002 3.001 1.00 0.00 N ATOM 1215 CA VAL A 83 62.732 -5.290 3.261 1.00 0.00 C ATOM 1216 C VAL A 83 63.685 -6.459 3.006 1.00 0.00 C ATOM 1217 O VAL A 83 63.621 -7.479 3.663 1.00 0.00 O ATOM 1218 CB VAL A 83 61.567 -5.318 2.271 1.00 0.00 C ATOM 1219 CG1 VAL A 83 62.089 -5.051 0.858 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.895 -6.692 2.314 1.00 0.00 C ATOM 0 H VAL A 83 63.017 -3.417 2.277 1.00 0.00 H new ATOM 0 HA VAL A 83 62.385 -5.375 4.291 1.00 0.00 H new ATOM 0 HB VAL A 83 60.843 -4.549 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 83 61.258 -5.071 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.568 -4.073 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.814 -5.819 0.587 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.064 -6.713 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.620 -7.460 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.522 -6.883 3.320 1.00 0.00 H new ATOM 1230 N ARG A 84 64.574 -6.316 2.061 1.00 0.00 N ATOM 1231 CA ARG A 84 65.535 -7.417 1.773 1.00 0.00 C ATOM 1232 C ARG A 84 66.475 -7.605 2.966 1.00 0.00 C ATOM 1233 O ARG A 84 66.824 -8.710 3.327 1.00 0.00 O ATOM 1234 CB ARG A 84 66.308 -6.956 0.536 1.00 0.00 C ATOM 1235 CG ARG A 84 65.369 -6.932 -0.672 1.00 0.00 C ATOM 1236 CD ARG A 84 65.208 -8.351 -1.224 1.00 0.00 C ATOM 1237 NE ARG A 84 65.508 -8.233 -2.677 1.00 0.00 N ATOM 1238 CZ ARG A 84 66.275 -9.115 -3.258 1.00 0.00 C ATOM 1239 NH1 ARG A 84 67.450 -9.388 -2.757 1.00 0.00 N ATOM 1240 NH2 ARG A 84 65.869 -9.725 -4.337 1.00 0.00 N ATOM 0 H ARG A 84 64.676 -5.486 1.477 1.00 0.00 H new ATOM 0 HA ARG A 84 65.041 -8.373 1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.727 -5.964 0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 84 67.145 -7.627 0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.398 -6.531 -0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.769 -6.274 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.891 -9.045 -0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 84 64.198 -8.727 -1.058 1.00 0.00 H new ATOM 0 HE ARG A 84 65.114 -7.463 -3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 84 67.767 -8.912 -1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 84 68.050 -10.077 -3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 84 64.951 -9.513 -4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 84 66.469 -10.414 -4.790 1.00 0.00 H new ATOM 1254 N GLN A 85 66.875 -6.529 3.592 1.00 0.00 N ATOM 1255 CA GLN A 85 67.777 -6.647 4.774 1.00 0.00 C ATOM 1256 C GLN A 85 66.948 -7.002 6.008 1.00 0.00 C ATOM 1257 O GLN A 85 67.430 -7.620 6.938 1.00 0.00 O ATOM 1258 CB GLN A 85 68.421 -5.269 4.935 1.00 0.00 C ATOM 1259 CG GLN A 85 69.503 -5.334 6.018 1.00 0.00 C ATOM 1260 CD GLN A 85 70.617 -6.282 5.570 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.093 -6.185 4.359 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 71.059 -7.120 6.331 1.00 0.00 N flip ATOM 0 H GLN A 85 66.616 -5.576 3.336 1.00 0.00 H new ATOM 0 HA GLN A 85 68.531 -7.424 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.857 -4.947 3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.665 -4.532 5.205 1.00 0.00 H new ATOM 0 HG2 GLN A 85 69.909 -4.339 6.201 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.072 -5.680 6.957 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.687 -7.196 7.278 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.802 -7.747 6.023 1.00 0.00 H new ATOM 1271 N MET A 86 65.699 -6.619 6.019 1.00 0.00 N ATOM 1272 CA MET A 86 64.830 -6.938 7.186 1.00 0.00 C ATOM 1273 C MET A 86 64.276 -8.355 7.050 1.00 0.00 C ATOM 1274 O MET A 86 64.022 -9.027 8.028 1.00 0.00 O ATOM 1275 CB MET A 86 63.699 -5.915 7.138 1.00 0.00 C ATOM 1276 CG MET A 86 63.871 -4.914 8.280 1.00 0.00 C ATOM 1277 SD MET A 86 62.258 -4.232 8.735 1.00 0.00 S ATOM 1278 CE MET A 86 62.541 -2.553 8.121 1.00 0.00 C ATOM 0 H MET A 86 65.244 -6.099 5.269 1.00 0.00 H new ATOM 0 HA MET A 86 65.373 -6.893 8.130 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.705 -5.395 6.180 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.735 -6.418 7.222 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.326 -5.403 9.141 1.00 0.00 H new ATOM 0 HG3 MET A 86 64.544 -4.112 7.976 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.615 -2.157 7.705 1.00 0.00 H new ATOM 0 HE2 MET A 86 62.871 -1.916 8.942 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.308 -2.573 7.346 1.00 0.00 H new ATOM 1288 N LYS A 87 64.091 -8.822 5.845 1.00 0.00 N ATOM 1289 CA LYS A 87 63.562 -10.202 5.670 1.00 0.00 C ATOM 1290 C LYS A 87 64.366 -11.154 6.554 1.00 0.00 C ATOM 1291 O LYS A 87 63.867 -12.153 7.035 1.00 0.00 O ATOM 1292 CB LYS A 87 63.771 -10.529 4.191 1.00 0.00 C ATOM 1293 CG LYS A 87 62.681 -9.852 3.357 1.00 0.00 C ATOM 1294 CD LYS A 87 61.810 -10.919 2.690 1.00 0.00 C ATOM 1295 CE LYS A 87 61.125 -10.323 1.459 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.810 -9.828 1.953 1.00 0.00 N ATOM 0 H LYS A 87 64.282 -8.312 4.982 1.00 0.00 H new ATOM 0 HA LYS A 87 62.513 -10.295 5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.755 -10.188 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.742 -11.608 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.068 -9.212 3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 87 63.133 -9.211 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.421 -11.774 2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 87 61.062 -11.285 3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.716 -9.513 1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.997 -11.072 0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 59.323 -9.315 1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.227 -10.634 2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.960 -9.189 2.759 1.00 0.00 H new ATOM 1310 N GLU A 88 65.611 -10.836 6.778 1.00 0.00 N ATOM 1311 CA GLU A 88 66.466 -11.698 7.639 1.00 0.00 C ATOM 1312 C GLU A 88 66.540 -11.106 9.049 1.00 0.00 C ATOM 1313 O GLU A 88 66.574 -11.818 10.033 1.00 0.00 O ATOM 1314 CB GLU A 88 67.841 -11.675 6.974 1.00 0.00 C ATOM 1315 CG GLU A 88 68.454 -13.076 7.016 1.00 0.00 C ATOM 1316 CD GLU A 88 69.613 -13.155 6.020 1.00 0.00 C ATOM 1317 OE1 GLU A 88 70.559 -12.401 6.180 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.533 -13.966 5.112 1.00 0.00 O ATOM 0 H GLU A 88 66.075 -10.011 6.399 1.00 0.00 H new ATOM 0 HA GLU A 88 66.079 -12.713 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.751 -11.337 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.492 -10.967 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.809 -13.299 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.699 -13.823 6.771 1.00 0.00 H new ATOM 1325 N ASP A 89 66.567 -9.803 9.152 1.00 0.00 N ATOM 1326 CA ASP A 89 66.641 -9.160 10.496 1.00 0.00 C ATOM 1327 C ASP A 89 65.277 -9.223 11.188 1.00 0.00 C ATOM 1328 O ASP A 89 65.186 -9.266 12.399 1.00 0.00 O ATOM 1329 CB ASP A 89 67.036 -7.710 10.218 1.00 0.00 C ATOM 1330 CG ASP A 89 67.637 -7.094 11.484 1.00 0.00 C ATOM 1331 OD1 ASP A 89 66.891 -6.868 12.422 1.00 0.00 O ATOM 1332 OD2 ASP A 89 68.834 -6.858 11.492 1.00 0.00 O ATOM 0 H ASP A 89 66.541 -9.157 8.363 1.00 0.00 H new ATOM 0 HA ASP A 89 67.353 -9.657 11.154 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.758 -7.668 9.402 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.164 -7.138 9.901 1.00 0.00 H new ATOM 1337 N ALA A 90 64.217 -9.231 10.429 1.00 0.00 N ATOM 1338 CA ALA A 90 62.859 -9.293 11.045 1.00 0.00 C ATOM 1339 C ALA A 90 62.501 -10.741 11.386 1.00 0.00 C ATOM 1340 O ALA A 90 62.914 -11.623 10.651 1.00 0.00 O ATOM 1341 CB ALA A 90 61.914 -8.745 9.975 1.00 0.00 C ATOM 1342 OXT ALA A 90 61.819 -10.944 12.379 1.00 0.00 O ATOM 0 H ALA A 90 64.230 -9.197 9.410 1.00 0.00 H new ATOM 0 HA ALA A 90 62.799 -8.723 11.972 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.891 -8.757 10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 90 62.198 -7.722 9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.979 -9.365 9.081 1.00 0.00 H new TER 1348 ALA A 90