USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 770 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 34 MET CE :methyl 167:sc= -0.144 (180deg=-0.0134) USER MOD Set 1.2: A 58 ASN :FLIP amide:sc= -5.51! C(o=-7.1!,f=-5.7!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 15 MET CE :methyl 175:sc= 0 (180deg=-0.0201) USER MOD Single : A 16 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.5!) USER MOD Single : A 17 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0272) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= -0.0227 (180deg=-0.699) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 142:sc= 0 (180deg=-0.23) USER MOD Single : A 44 SER OG : rot -72:sc= 1.73 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= -0.0604 (180deg=-0.507) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 157:sc= -0.0841 (180deg=-0.624) USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.613) USER MOD Single : A 73 GLN : amide:sc= -0.172 K(o=-0.17,f=-0.75) USER MOD Single : A 76 SER OG : rot -6:sc= 0.316 USER MOD Single : A 81 SER OG : rot 85:sc= 0.162 USER MOD Single : A 85 LYS NZ :NH3+ 137:sc= -0.851 (180deg=-3.99!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 8 -9.289 132.206 118.971 1.00 0.00 N ATOM 2 CA PRO A 8 -9.929 133.555 118.959 1.00 0.00 C ATOM 3 C PRO A 8 -11.022 133.686 120.024 1.00 0.00 C ATOM 4 O PRO A 8 -11.823 132.774 120.225 1.00 0.00 O ATOM 5 CB PRO A 8 -10.518 133.643 117.546 1.00 0.00 C ATOM 6 CG PRO A 8 -9.564 132.859 116.692 1.00 0.00 C ATOM 7 CD PRO A 8 -9.010 131.731 117.594 1.00 0.00 C ATOM 0 HA PRO A 8 -9.225 134.355 119.188 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.523 133.222 117.508 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.593 134.677 117.211 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.070 132.447 115.819 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.759 133.494 116.323 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.502 130.780 117.392 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.943 131.578 117.433 1.00 0.00 H new ATOM 15 N GLN A 9 -11.039 134.830 120.702 1.00 0.00 N ATOM 16 CA GLN A 9 -12.028 135.082 121.744 1.00 0.00 C ATOM 17 C GLN A 9 -13.446 135.084 121.175 1.00 0.00 C ATOM 18 O GLN A 9 -14.394 134.691 121.852 1.00 0.00 O ATOM 19 CB GLN A 9 -11.745 136.430 122.412 1.00 0.00 C ATOM 20 CG GLN A 9 -10.399 136.368 123.134 1.00 0.00 C ATOM 21 CD GLN A 9 -10.083 137.719 123.765 1.00 0.00 C ATOM 22 OE1 GLN A 9 -10.690 138.729 123.408 1.00 0.00 O ATOM 23 NE2 GLN A 9 -9.164 137.799 124.689 1.00 0.00 N ATOM 0 H GLN A 9 -10.381 135.595 120.549 1.00 0.00 H new ATOM 0 HA GLN A 9 -11.954 134.281 122.479 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.733 137.223 121.664 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.538 136.671 123.119 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.425 135.596 123.903 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.612 136.093 122.431 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.662 136.961 124.983 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.948 138.699 125.117 1.00 0.00 H new ATOM 32 N ARG A 10 -13.584 135.545 119.935 1.00 0.00 N ATOM 33 CA ARG A 10 -14.895 135.611 119.301 1.00 0.00 C ATOM 34 C ARG A 10 -15.536 134.230 119.227 1.00 0.00 C ATOM 35 O ARG A 10 -16.734 134.086 119.450 1.00 0.00 O ATOM 36 CB ARG A 10 -14.767 136.194 117.892 1.00 0.00 C ATOM 37 CG ARG A 10 -13.944 135.245 117.017 1.00 0.00 C ATOM 38 CD ARG A 10 -13.596 135.940 115.700 1.00 0.00 C ATOM 39 NE ARG A 10 -12.622 137.001 115.932 1.00 0.00 N ATOM 40 CZ ARG A 10 -12.072 137.661 114.918 1.00 0.00 C ATOM 41 NH1 ARG A 10 -11.203 138.608 115.151 1.00 0.00 N1+ ATOM 42 NH2 ARG A 10 -12.399 137.364 113.690 1.00 0.00 N ATOM 0 H ARG A 10 -12.812 135.875 119.355 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.532 136.257 119.906 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.756 136.341 117.457 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.289 137.173 117.934 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.033 134.951 117.538 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.507 134.333 116.821 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.193 135.215 114.993 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.498 136.356 115.251 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.359 137.240 116.888 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.947 138.840 116.111 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.780 139.115 114.373 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.077 136.625 113.508 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.976 137.871 112.913 1.00 0.00 H new ATOM 56 N VAL A 11 -14.736 133.216 118.927 1.00 0.00 N ATOM 57 CA VAL A 11 -15.260 131.859 118.846 1.00 0.00 C ATOM 58 C VAL A 11 -15.900 131.476 120.174 1.00 0.00 C ATOM 59 O VAL A 11 -16.949 130.835 120.210 1.00 0.00 O ATOM 60 CB VAL A 11 -14.128 130.882 118.497 1.00 0.00 C ATOM 61 CG1 VAL A 11 -14.626 129.437 118.609 1.00 0.00 C ATOM 62 CG2 VAL A 11 -13.656 131.144 117.063 1.00 0.00 C ATOM 0 H VAL A 11 -13.737 133.304 118.738 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.017 131.810 118.063 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.302 131.031 119.193 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.815 128.752 118.359 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.962 129.246 119.628 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.456 129.284 117.919 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.852 130.452 116.812 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -14.488 130.999 116.374 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -13.292 132.168 116.981 1.00 0.00 H new ATOM 72 N ALA A 12 -15.259 131.884 121.260 1.00 0.00 N ATOM 73 CA ALA A 12 -15.773 131.591 122.589 1.00 0.00 C ATOM 74 C ALA A 12 -17.124 132.268 122.792 1.00 0.00 C ATOM 75 O ALA A 12 -18.036 131.696 123.385 1.00 0.00 O ATOM 76 CB ALA A 12 -14.778 132.075 123.651 1.00 0.00 C ATOM 0 H ALA A 12 -14.388 132.415 121.247 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.903 130.513 122.688 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.169 131.853 124.644 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.824 131.566 123.514 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.633 133.151 123.551 1.00 0.00 H new ATOM 82 N GLN A 13 -17.235 133.491 122.291 1.00 0.00 N ATOM 83 CA GLN A 13 -18.475 134.251 122.414 1.00 0.00 C ATOM 84 C GLN A 13 -19.602 133.564 121.664 1.00 0.00 C ATOM 85 O GLN A 13 -20.734 133.502 122.142 1.00 0.00 O ATOM 86 CB GLN A 13 -18.270 135.649 121.847 1.00 0.00 C ATOM 87 CG GLN A 13 -17.211 136.371 122.677 1.00 0.00 C ATOM 88 CD GLN A 13 -16.927 137.747 122.091 1.00 0.00 C ATOM 89 OE1 GLN A 13 -17.663 138.221 121.224 1.00 0.00 O ATOM 90 NE2 GLN A 13 -15.887 138.414 122.507 1.00 0.00 N ATOM 0 H GLN A 13 -16.486 133.977 121.798 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.743 134.312 123.469 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.956 135.590 120.805 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -19.208 136.205 121.867 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.553 136.471 123.707 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.294 135.782 122.701 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.281 138.018 123.225 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.680 139.332 122.115 1.00 0.00 H new ATOM 99 N GLU A 14 -19.280 133.039 120.490 1.00 0.00 N ATOM 100 CA GLU A 14 -20.276 132.345 119.693 1.00 0.00 C ATOM 101 C GLU A 14 -20.770 131.144 120.470 1.00 0.00 C ATOM 102 O GLU A 14 -21.946 130.785 120.430 1.00 0.00 O ATOM 103 CB GLU A 14 -19.667 131.889 118.366 1.00 0.00 C ATOM 104 CG GLU A 14 -19.314 133.111 117.522 1.00 0.00 C ATOM 105 CD GLU A 14 -18.751 132.670 116.176 1.00 0.00 C ATOM 106 OE1 GLU A 14 -18.504 131.485 116.019 1.00 0.00 O ATOM 107 OE2 GLU A 14 -18.574 133.523 115.322 1.00 0.00 O1- ATOM 0 H GLU A 14 -18.349 133.080 120.074 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.106 133.018 119.480 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.775 131.290 118.550 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.372 131.254 117.829 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.200 133.727 117.370 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -18.584 133.727 118.047 1.00 0.00 H new ATOM 114 N MET A 15 -19.850 130.532 121.188 1.00 0.00 N ATOM 115 CA MET A 15 -20.185 129.380 122.008 1.00 0.00 C ATOM 116 C MET A 15 -20.964 129.809 123.240 1.00 0.00 C ATOM 117 O MET A 15 -21.917 129.154 123.646 1.00 0.00 O ATOM 118 CB MET A 15 -18.918 128.630 122.422 1.00 0.00 C ATOM 119 CG MET A 15 -18.297 127.963 121.192 1.00 0.00 C ATOM 120 SD MET A 15 -16.891 126.940 121.701 1.00 0.00 S ATOM 121 CE MET A 15 -16.421 126.359 120.052 1.00 0.00 C ATOM 0 H MET A 15 -18.869 130.809 121.222 1.00 0.00 H new ATOM 0 HA MET A 15 -20.810 128.711 121.416 1.00 0.00 H new ATOM 0 HB2 MET A 15 -18.205 129.320 122.874 1.00 0.00 H new ATOM 0 HB3 MET A 15 -19.156 127.879 123.175 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.041 127.350 120.684 1.00 0.00 H new ATOM 0 HG3 MET A 15 -17.969 128.721 120.481 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.505 125.772 120.120 1.00 0.00 H new ATOM 0 HE2 MET A 15 -17.219 125.740 119.643 1.00 0.00 H new ATOM 0 HE3 MET A 15 -16.255 127.215 119.398 1.00 0.00 H new ATOM 131 N GLN A 16 -20.543 130.914 123.833 1.00 0.00 N ATOM 132 CA GLN A 16 -21.201 131.413 125.030 1.00 0.00 C ATOM 133 C GLN A 16 -22.671 131.685 124.773 1.00 0.00 C ATOM 134 O GLN A 16 -23.533 131.266 125.546 1.00 0.00 O ATOM 135 CB GLN A 16 -20.517 132.699 125.498 1.00 0.00 C ATOM 136 CG GLN A 16 -21.110 133.137 126.838 1.00 0.00 C ATOM 137 CD GLN A 16 -20.389 134.381 127.348 1.00 0.00 C ATOM 138 OE1 GLN A 16 -19.387 134.799 126.768 1.00 0.00 O ATOM 139 NE2 GLN A 16 -20.843 135.001 128.403 1.00 0.00 N ATOM 0 H GLN A 16 -19.757 131.478 123.510 1.00 0.00 H new ATOM 0 HA GLN A 16 -21.123 130.650 125.804 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -19.444 132.536 125.600 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -20.651 133.485 124.755 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -22.174 133.345 126.723 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -21.020 132.331 127.566 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.674 134.652 128.881 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.367 135.834 128.749 1.00 0.00 H new ATOM 148 N LYS A 17 -22.962 132.378 123.683 1.00 0.00 N ATOM 149 CA LYS A 17 -24.348 132.678 123.354 1.00 0.00 C ATOM 150 C LYS A 17 -25.100 131.406 122.991 1.00 0.00 C ATOM 151 O LYS A 17 -26.270 131.244 123.330 1.00 0.00 O ATOM 152 CB LYS A 17 -24.455 133.719 122.230 1.00 0.00 C ATOM 153 CG LYS A 17 -23.955 133.142 120.904 1.00 0.00 C ATOM 154 CD LYS A 17 -24.005 134.228 119.818 1.00 0.00 C ATOM 155 CE LYS A 17 -23.906 133.587 118.428 1.00 0.00 C ATOM 156 NZ LYS A 17 -25.237 133.039 118.041 1.00 0.00 N1+ ATOM 0 H LYS A 17 -22.273 132.737 123.022 1.00 0.00 H new ATOM 0 HA LYS A 17 -24.810 133.112 124.241 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -25.491 134.041 122.124 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -23.872 134.602 122.490 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -22.935 132.774 121.017 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -24.570 132.292 120.611 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -24.933 134.794 119.901 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -23.187 134.934 119.961 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -23.578 134.326 117.697 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -23.161 132.792 118.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -25.106 132.186 117.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -25.775 132.796 118.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -25.760 133.752 117.494 1.00 0.00 H new ATOM 170 N GLU A 18 -24.413 130.511 122.294 1.00 0.00 N ATOM 171 CA GLU A 18 -25.021 129.252 121.880 1.00 0.00 C ATOM 172 C GLU A 18 -25.379 128.415 123.095 1.00 0.00 C ATOM 173 O GLU A 18 -26.458 127.830 123.165 1.00 0.00 O ATOM 174 CB GLU A 18 -24.057 128.476 120.977 1.00 0.00 C ATOM 175 CG GLU A 18 -24.769 127.264 120.367 1.00 0.00 C ATOM 176 CD GLU A 18 -25.835 127.729 119.379 1.00 0.00 C ATOM 177 OE1 GLU A 18 -25.696 128.825 118.861 1.00 0.00 O ATOM 178 OE2 GLU A 18 -26.774 126.983 119.157 1.00 0.00 O1- ATOM 0 H GLU A 18 -23.442 130.631 122.005 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.932 129.471 121.324 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -23.685 129.126 120.185 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -23.192 128.148 121.553 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -24.046 126.624 119.861 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -25.227 126.666 121.155 1.00 0.00 H new ATOM 185 N ILE A 19 -24.482 128.380 124.063 1.00 0.00 N ATOM 186 CA ILE A 19 -24.745 127.630 125.280 1.00 0.00 C ATOM 187 C ILE A 19 -25.881 128.293 126.030 1.00 0.00 C ATOM 188 O ILE A 19 -26.770 127.627 126.550 1.00 0.00 O ATOM 189 CB ILE A 19 -23.490 127.562 126.159 1.00 0.00 C ATOM 190 CG1 ILE A 19 -22.412 126.722 125.452 1.00 0.00 C ATOM 191 CG2 ILE A 19 -23.839 126.918 127.507 1.00 0.00 C ATOM 192 CD1 ILE A 19 -21.050 126.980 126.102 1.00 0.00 C ATOM 0 H ILE A 19 -23.579 128.853 124.034 1.00 0.00 H new ATOM 0 HA ILE A 19 -25.024 126.609 125.020 1.00 0.00 H new ATOM 0 HB ILE A 19 -23.112 128.570 126.327 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.662 125.663 125.516 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -22.375 126.977 124.393 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -22.946 126.871 128.130 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -24.600 127.515 128.009 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.219 125.910 127.341 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -20.288 126.384 125.599 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -20.800 128.037 126.015 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -21.091 126.703 127.155 1.00 0.00 H new ATOM 204 N ALA A 20 -25.854 129.615 126.046 1.00 0.00 N ATOM 205 CA ALA A 20 -26.892 130.382 126.703 1.00 0.00 C ATOM 206 C ALA A 20 -28.204 130.150 125.990 1.00 0.00 C ATOM 207 O ALA A 20 -29.265 130.070 126.610 1.00 0.00 O ATOM 208 CB ALA A 20 -26.545 131.872 126.681 1.00 0.00 C ATOM 0 H ALA A 20 -25.123 130.177 125.610 1.00 0.00 H new ATOM 0 HA ALA A 20 -26.975 130.061 127.741 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -27.334 132.437 127.178 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -25.601 132.033 127.201 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -26.453 132.209 125.648 1.00 0.00 H new ATOM 214 N LEU A 21 -28.116 130.042 124.673 1.00 0.00 N ATOM 215 CA LEU A 21 -29.294 129.819 123.866 1.00 0.00 C ATOM 216 C LEU A 21 -29.934 128.491 124.226 1.00 0.00 C ATOM 217 O LEU A 21 -31.131 128.421 124.506 1.00 0.00 O ATOM 218 CB LEU A 21 -28.916 129.821 122.379 1.00 0.00 C ATOM 219 CG LEU A 21 -30.166 129.683 121.482 1.00 0.00 C ATOM 220 CD1 LEU A 21 -31.027 130.960 121.551 1.00 0.00 C ATOM 221 CD2 LEU A 21 -29.697 129.451 120.040 1.00 0.00 C ATOM 0 H LEU A 21 -27.244 130.105 124.148 1.00 0.00 H new ATOM 0 HA LEU A 21 -30.007 130.621 124.059 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -28.392 130.745 122.136 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -28.227 129.001 122.176 1.00 0.00 H new ATOM 0 HG LEU A 21 -30.774 128.846 121.826 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -31.903 130.843 120.913 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -31.347 131.128 122.579 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -30.440 131.813 121.210 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -30.564 129.350 119.387 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -29.093 130.297 119.713 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -29.100 128.540 119.994 1.00 0.00 H new ATOM 233 N ILE A 22 -29.133 127.438 124.219 1.00 0.00 N ATOM 234 CA ILE A 22 -29.643 126.121 124.547 1.00 0.00 C ATOM 235 C ILE A 22 -30.043 126.075 126.013 1.00 0.00 C ATOM 236 O ILE A 22 -31.002 125.400 126.388 1.00 0.00 O ATOM 237 CB ILE A 22 -28.591 125.055 124.232 1.00 0.00 C ATOM 238 CG1 ILE A 22 -28.212 125.159 122.750 1.00 0.00 C ATOM 239 CG2 ILE A 22 -29.171 123.660 124.495 1.00 0.00 C ATOM 240 CD1 ILE A 22 -26.962 124.325 122.480 1.00 0.00 C ATOM 0 H ILE A 22 -28.139 127.470 123.992 1.00 0.00 H new ATOM 0 HA ILE A 22 -30.526 125.914 123.942 1.00 0.00 H new ATOM 0 HB ILE A 22 -27.715 125.210 124.862 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -29.036 124.809 122.128 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -28.031 126.200 122.483 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -28.418 122.905 124.269 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -29.464 123.579 125.542 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -30.044 123.503 123.861 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -26.695 124.401 121.426 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -26.139 124.695 123.091 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -27.159 123.283 122.730 1.00 0.00 H new ATOM 252 N LEU A 23 -29.297 126.797 126.839 1.00 0.00 N ATOM 253 CA LEU A 23 -29.584 126.826 128.271 1.00 0.00 C ATOM 254 C LEU A 23 -30.988 127.371 128.521 1.00 0.00 C ATOM 255 O LEU A 23 -31.706 126.880 129.381 1.00 0.00 O ATOM 256 CB LEU A 23 -28.545 127.699 129.002 1.00 0.00 C ATOM 257 CG LEU A 23 -28.719 127.620 130.542 1.00 0.00 C ATOM 258 CD1 LEU A 23 -28.060 126.348 131.095 1.00 0.00 C ATOM 259 CD2 LEU A 23 -28.052 128.836 131.200 1.00 0.00 C ATOM 0 H LEU A 23 -28.499 127.363 126.550 1.00 0.00 H new ATOM 0 HA LEU A 23 -29.529 125.808 128.657 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -27.540 127.374 128.731 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -28.644 128.734 128.676 1.00 0.00 H new ATOM 0 HG LEU A 23 -29.786 127.604 130.765 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -28.192 126.310 132.176 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -28.523 125.472 130.642 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.996 126.358 130.860 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -28.176 128.778 132.281 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -26.990 128.845 130.956 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -28.516 129.750 130.830 1.00 0.00 H new ATOM 271 N GLN A 24 -31.367 128.394 127.773 1.00 0.00 N ATOM 272 CA GLN A 24 -32.685 129.011 127.925 1.00 0.00 C ATOM 273 C GLN A 24 -33.759 128.248 127.157 1.00 0.00 C ATOM 274 O GLN A 24 -34.940 128.303 127.499 1.00 0.00 O ATOM 275 CB GLN A 24 -32.639 130.456 127.426 1.00 0.00 C ATOM 276 CG GLN A 24 -31.700 131.273 128.317 1.00 0.00 C ATOM 277 CD GLN A 24 -31.606 132.704 127.800 1.00 0.00 C ATOM 278 OE1 GLN A 24 -31.971 132.978 126.656 1.00 0.00 O ATOM 279 NE2 GLN A 24 -31.134 133.639 128.579 1.00 0.00 N ATOM 0 H GLN A 24 -30.784 128.819 127.052 1.00 0.00 H new ATOM 0 HA GLN A 24 -32.942 128.985 128.984 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -32.294 130.484 126.393 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -33.639 130.889 127.440 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -32.066 131.272 129.344 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -30.710 130.817 128.331 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -30.832 133.410 129.526 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -31.067 134.599 128.241 1.00 0.00 H new ATOM 288 N ARG A 25 -33.344 127.580 126.090 1.00 0.00 N ATOM 289 CA ARG A 25 -34.282 126.851 125.235 1.00 0.00 C ATOM 290 C ARG A 25 -34.678 125.503 125.813 1.00 0.00 C ATOM 291 O ARG A 25 -35.856 125.144 125.827 1.00 0.00 O ATOM 292 CB ARG A 25 -33.658 126.636 123.862 1.00 0.00 C ATOM 293 CG ARG A 25 -34.714 126.099 122.890 1.00 0.00 C ATOM 294 CD ARG A 25 -34.075 125.870 121.520 1.00 0.00 C ATOM 295 NE ARG A 25 -35.088 125.464 120.552 1.00 0.00 N ATOM 296 CZ ARG A 25 -34.793 125.333 119.263 1.00 0.00 C ATOM 297 NH1 ARG A 25 -35.717 124.969 118.416 1.00 0.00 N1+ ATOM 298 NH2 ARG A 25 -33.580 125.567 118.844 1.00 0.00 N ATOM 0 H ARG A 25 -32.370 127.525 125.793 1.00 0.00 H new ATOM 0 HA ARG A 25 -35.185 127.457 125.163 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -33.249 127.574 123.487 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -32.828 125.934 123.936 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -35.132 125.166 123.269 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -35.539 126.806 122.805 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -33.585 126.783 121.182 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -33.304 125.103 121.594 1.00 0.00 H new ATOM 0 HE ARG A 25 -36.039 125.277 120.870 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -36.665 124.785 118.744 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -35.491 124.868 117.427 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -32.858 125.851 119.506 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -33.354 125.466 117.854 1.00 0.00 H new ATOM 312 N GLU A 26 -33.695 124.757 126.272 1.00 0.00 N ATOM 313 CA GLU A 26 -33.962 123.438 126.833 1.00 0.00 C ATOM 314 C GLU A 26 -34.607 123.589 128.192 1.00 0.00 C ATOM 315 O GLU A 26 -35.176 122.643 128.737 1.00 0.00 O ATOM 316 CB GLU A 26 -32.664 122.641 126.967 1.00 0.00 C ATOM 317 CG GLU A 26 -32.095 122.343 125.579 1.00 0.00 C ATOM 318 CD GLU A 26 -33.018 121.393 124.821 1.00 0.00 C ATOM 319 OE1 GLU A 26 -33.823 120.741 125.467 1.00 0.00 O ATOM 320 OE2 GLU A 26 -32.912 121.336 123.608 1.00 0.00 O1- ATOM 0 H GLU A 26 -32.713 125.032 126.271 1.00 0.00 H new ATOM 0 HA GLU A 26 -34.635 122.901 126.164 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -31.939 123.205 127.554 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -32.852 121.710 127.501 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -31.978 123.271 125.019 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -31.103 121.900 125.672 1.00 0.00 H new ATOM 327 N ILE A 27 -34.511 124.799 128.735 1.00 0.00 N ATOM 328 CA ILE A 27 -35.083 125.115 130.054 1.00 0.00 C ATOM 329 C ILE A 27 -36.216 126.122 129.908 1.00 0.00 C ATOM 330 O ILE A 27 -36.082 127.122 129.206 1.00 0.00 O ATOM 331 CB ILE A 27 -33.994 125.704 130.946 1.00 0.00 C ATOM 332 CG1 ILE A 27 -32.773 124.778 130.914 1.00 0.00 C ATOM 333 CG2 ILE A 27 -34.510 125.821 132.382 1.00 0.00 C ATOM 334 CD1 ILE A 27 -31.668 125.336 131.817 1.00 0.00 C ATOM 0 H ILE A 27 -34.042 125.585 128.285 1.00 0.00 H new ATOM 0 HA ILE A 27 -35.476 124.202 130.501 1.00 0.00 H new ATOM 0 HB ILE A 27 -33.718 126.695 130.585 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -33.055 123.779 131.246 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -32.405 124.682 129.892 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -33.730 126.242 133.016 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -35.384 126.471 132.403 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -34.784 124.833 132.752 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -30.804 124.672 131.788 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -31.376 126.326 131.466 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -32.036 125.408 132.840 1.00 0.00 H new ATOM 346 N LYS A 28 -37.331 125.855 130.581 1.00 0.00 N ATOM 347 CA LYS A 28 -38.480 126.753 130.522 1.00 0.00 C ATOM 348 C LYS A 28 -38.301 127.870 131.543 1.00 0.00 C ATOM 349 O LYS A 28 -38.318 127.627 132.750 1.00 0.00 O ATOM 350 CB LYS A 28 -39.760 125.969 130.840 1.00 0.00 C ATOM 351 CG LYS A 28 -39.845 124.707 129.968 1.00 0.00 C ATOM 352 CD LYS A 28 -40.000 125.090 128.490 1.00 0.00 C ATOM 353 CE LYS A 28 -40.477 123.872 127.692 1.00 0.00 C ATOM 354 NZ LYS A 28 -39.776 122.651 128.182 1.00 0.00 N1+ ATOM 0 H LYS A 28 -37.464 125.032 131.169 1.00 0.00 H new ATOM 0 HA LYS A 28 -38.557 127.181 129.523 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -39.772 125.692 131.894 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -40.633 126.599 130.666 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -38.948 124.103 130.102 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -40.691 124.096 130.283 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -40.715 125.907 128.388 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -39.049 125.447 128.095 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -41.555 123.753 127.799 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -40.277 124.018 126.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -39.811 121.913 127.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -38.784 122.882 128.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -40.243 122.305 129.044 1.00 0.00 H new ATOM 368 N ASP A 29 -38.120 129.094 131.056 1.00 0.00 N ATOM 369 CA ASP A 29 -37.929 130.234 131.948 1.00 0.00 C ATOM 370 C ASP A 29 -39.194 130.514 132.771 1.00 0.00 C ATOM 371 O ASP A 29 -39.101 130.851 133.951 1.00 0.00 O ATOM 372 CB ASP A 29 -37.504 131.490 131.146 1.00 0.00 C ATOM 373 CG ASP A 29 -36.745 131.072 129.890 1.00 0.00 C ATOM 374 OD1 ASP A 29 -36.186 129.988 129.893 1.00 0.00 O ATOM 375 OD2 ASP A 29 -36.734 131.843 128.944 1.00 0.00 O1- ATOM 0 H ASP A 29 -38.101 129.321 130.062 1.00 0.00 H new ATOM 0 HA ASP A 29 -37.129 129.985 132.644 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -38.384 132.073 130.873 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -36.876 132.132 131.764 1.00 0.00 H new ATOM 380 N PRO A 30 -40.365 130.391 132.187 1.00 0.00 N ATOM 381 CA PRO A 30 -41.646 130.652 132.915 1.00 0.00 C ATOM 382 C PRO A 30 -41.773 129.812 134.192 1.00 0.00 C ATOM 383 O PRO A 30 -42.345 130.265 135.183 1.00 0.00 O ATOM 384 CB PRO A 30 -42.735 130.288 131.879 1.00 0.00 C ATOM 385 CG PRO A 30 -42.058 130.437 130.552 1.00 0.00 C ATOM 386 CD PRO A 30 -40.614 129.999 130.785 1.00 0.00 C ATOM 0 HA PRO A 30 -41.720 131.682 133.263 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -43.099 129.271 132.027 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -43.597 130.950 131.961 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -42.539 129.819 129.794 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -42.105 131.468 130.200 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -40.490 128.926 130.639 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -39.927 130.496 130.100 1.00 0.00 H new ATOM 394 N ARG A 31 -41.247 128.590 134.160 1.00 0.00 N ATOM 395 CA ARG A 31 -41.326 127.716 135.326 1.00 0.00 C ATOM 396 C ARG A 31 -40.641 128.364 136.525 1.00 0.00 C ATOM 397 O ARG A 31 -41.120 128.260 137.655 1.00 0.00 O ATOM 398 CB ARG A 31 -40.665 126.369 135.017 1.00 0.00 C ATOM 399 CG ARG A 31 -40.893 125.402 136.182 1.00 0.00 C ATOM 400 CD ARG A 31 -40.209 124.068 135.880 1.00 0.00 C ATOM 401 NE ARG A 31 -40.511 123.099 136.926 1.00 0.00 N ATOM 402 CZ ARG A 31 -39.779 121.998 137.075 1.00 0.00 C ATOM 403 NH1 ARG A 31 -40.069 121.145 138.020 1.00 0.00 N1+ ATOM 404 NH2 ARG A 31 -38.774 121.770 136.275 1.00 0.00 N ATOM 0 H ARG A 31 -40.769 128.188 133.353 1.00 0.00 H new ATOM 0 HA ARG A 31 -42.376 127.554 135.567 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -41.079 125.952 134.099 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -39.597 126.507 134.850 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -40.495 125.826 137.104 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -41.961 125.248 136.337 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -40.545 123.689 134.915 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -39.131 124.212 135.808 1.00 0.00 H new ATOM 0 HE ARG A 31 -41.297 123.268 137.554 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -40.856 121.323 138.644 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -39.508 120.301 138.135 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -38.550 122.436 135.536 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -38.213 120.926 136.389 1.00 0.00 H new ATOM 418 N LEU A 32 -39.530 129.052 136.270 1.00 0.00 N ATOM 419 CA LEU A 32 -38.803 129.733 137.338 1.00 0.00 C ATOM 420 C LEU A 32 -39.477 131.067 137.643 1.00 0.00 C ATOM 421 O LEU A 32 -39.296 131.642 138.716 1.00 0.00 O ATOM 422 CB LEU A 32 -37.346 129.971 136.921 1.00 0.00 C ATOM 423 CG LEU A 32 -36.684 128.646 136.506 1.00 0.00 C ATOM 424 CD1 LEU A 32 -35.214 128.915 136.154 1.00 0.00 C ATOM 425 CD2 LEU A 32 -36.764 127.619 137.657 1.00 0.00 C ATOM 0 H LEU A 32 -39.117 129.152 135.343 1.00 0.00 H new ATOM 0 HA LEU A 32 -38.814 129.107 138.230 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -37.309 130.678 136.093 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -36.793 130.418 137.747 1.00 0.00 H new ATOM 0 HG LEU A 32 -37.207 128.237 135.642 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -34.734 127.982 135.858 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -35.162 129.627 135.331 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -34.701 129.327 137.023 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -36.291 126.687 137.347 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -36.249 128.013 138.533 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -37.809 127.431 137.905 1.00 0.00 H new ATOM 437 N GLY A 33 -40.260 131.545 136.680 1.00 0.00 N ATOM 438 CA GLY A 33 -40.977 132.807 136.825 1.00 0.00 C ATOM 439 C GLY A 33 -40.076 133.991 136.487 1.00 0.00 C ATOM 440 O GLY A 33 -40.476 135.146 136.624 1.00 0.00 O ATOM 0 H GLY A 33 -40.414 131.075 135.788 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -41.849 132.811 136.171 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -41.344 132.905 137.847 1.00 0.00 H new ATOM 444 N MET A 34 -38.853 133.695 136.042 1.00 0.00 N ATOM 445 CA MET A 34 -37.890 134.740 135.678 1.00 0.00 C ATOM 446 C MET A 34 -36.929 134.232 134.608 1.00 0.00 C ATOM 447 O MET A 34 -36.855 133.032 134.345 1.00 0.00 O ATOM 448 CB MET A 34 -37.086 135.181 136.906 1.00 0.00 C ATOM 449 CG MET A 34 -38.014 135.841 137.930 1.00 0.00 C ATOM 450 SD MET A 34 -37.018 136.613 139.228 1.00 0.00 S ATOM 451 CE MET A 34 -38.390 137.135 140.286 1.00 0.00 C ATOM 0 H MET A 34 -38.505 132.743 135.925 1.00 0.00 H new ATOM 0 HA MET A 34 -38.449 135.590 135.288 1.00 0.00 H new ATOM 0 HB2 MET A 34 -36.590 134.320 137.354 1.00 0.00 H new ATOM 0 HB3 MET A 34 -36.305 135.880 136.608 1.00 0.00 H new ATOM 0 HG2 MET A 34 -38.640 136.589 137.442 1.00 0.00 H new ATOM 0 HG3 MET A 34 -38.684 135.098 138.363 1.00 0.00 H new ATOM 0 HE1 MET A 34 -38.005 137.432 141.261 1.00 0.00 H new ATOM 0 HE2 MET A 34 -38.903 137.979 139.826 1.00 0.00 H new ATOM 0 HE3 MET A 34 -39.090 136.308 140.409 1.00 0.00 H new ATOM 461 N MET A 35 -36.180 135.157 134.002 1.00 0.00 N ATOM 462 CA MET A 35 -35.201 134.804 132.967 1.00 0.00 C ATOM 463 C MET A 35 -33.835 134.574 133.614 1.00 0.00 C ATOM 464 O MET A 35 -33.446 135.298 134.529 1.00 0.00 O ATOM 465 CB MET A 35 -35.104 135.934 131.929 1.00 0.00 C ATOM 466 CG MET A 35 -35.152 137.292 132.633 1.00 0.00 C ATOM 467 SD MET A 35 -34.835 138.606 131.430 1.00 0.00 S ATOM 468 CE MET A 35 -34.909 139.995 132.587 1.00 0.00 C ATOM 0 H MET A 35 -36.232 136.155 134.209 1.00 0.00 H new ATOM 0 HA MET A 35 -35.521 133.891 132.465 1.00 0.00 H new ATOM 0 HB2 MET A 35 -34.178 135.841 131.362 1.00 0.00 H new ATOM 0 HB3 MET A 35 -35.924 135.855 131.215 1.00 0.00 H new ATOM 0 HG2 MET A 35 -36.127 137.438 133.099 1.00 0.00 H new ATOM 0 HG3 MET A 35 -34.409 137.327 133.430 1.00 0.00 H new ATOM 0 HE1 MET A 35 -34.737 140.927 132.048 1.00 0.00 H new ATOM 0 HE2 MET A 35 -35.891 140.024 133.058 1.00 0.00 H new ATOM 0 HE3 MET A 35 -34.143 139.872 133.353 1.00 0.00 H new ATOM 478 N THR A 36 -33.115 133.555 133.142 1.00 0.00 N ATOM 479 CA THR A 36 -31.795 133.234 133.693 1.00 0.00 C ATOM 480 C THR A 36 -30.703 134.036 132.995 1.00 0.00 C ATOM 481 O THR A 36 -30.841 134.410 131.831 1.00 0.00 O ATOM 482 CB THR A 36 -31.512 131.740 133.519 1.00 0.00 C ATOM 483 OG1 THR A 36 -31.272 131.462 132.147 1.00 0.00 O ATOM 484 CG2 THR A 36 -32.718 130.931 134.002 1.00 0.00 C ATOM 0 H THR A 36 -33.419 132.942 132.386 1.00 0.00 H new ATOM 0 HA THR A 36 -31.796 133.492 134.752 1.00 0.00 H new ATOM 0 HB THR A 36 -30.635 131.465 134.105 1.00 0.00 H new ATOM 0 HG1 THR A 36 -31.089 130.506 132.034 1.00 0.00 H new ATOM 0 HG21 THR A 36 -32.516 129.867 133.878 1.00 0.00 H new ATOM 0 HG22 THR A 36 -32.902 131.145 135.055 1.00 0.00 H new ATOM 0 HG23 THR A 36 -33.597 131.204 133.418 1.00 0.00 H new ATOM 492 N THR A 37 -29.606 134.295 133.721 1.00 0.00 N ATOM 493 CA THR A 37 -28.464 135.055 133.184 1.00 0.00 C ATOM 494 C THR A 37 -27.172 134.269 133.370 1.00 0.00 C ATOM 495 O THR A 37 -26.978 133.617 134.397 1.00 0.00 O ATOM 496 CB THR A 37 -28.348 136.396 133.913 1.00 0.00 C ATOM 497 OG1 THR A 37 -29.580 137.097 133.811 1.00 0.00 O ATOM 498 CG2 THR A 37 -27.231 137.227 133.282 1.00 0.00 C ATOM 0 H THR A 37 -29.484 133.988 134.686 1.00 0.00 H new ATOM 0 HA THR A 37 -28.628 135.227 132.120 1.00 0.00 H new ATOM 0 HB THR A 37 -28.116 136.220 134.963 1.00 0.00 H new ATOM 0 HG1 THR A 37 -29.508 137.955 134.279 1.00 0.00 H new ATOM 0 HG21 THR A 37 -27.149 138.182 133.802 1.00 0.00 H new ATOM 0 HG22 THR A 37 -26.287 136.688 133.362 1.00 0.00 H new ATOM 0 HG23 THR A 37 -27.459 137.405 132.231 1.00 0.00 H new ATOM 506 N VAL A 38 -26.280 134.337 132.376 1.00 0.00 N ATOM 507 CA VAL A 38 -24.990 133.631 132.440 1.00 0.00 C ATOM 508 C VAL A 38 -23.883 134.618 132.793 1.00 0.00 C ATOM 509 O VAL A 38 -23.681 135.615 132.101 1.00 0.00 O ATOM 510 CB VAL A 38 -24.692 132.987 131.082 1.00 0.00 C ATOM 511 CG1 VAL A 38 -23.442 132.110 131.186 1.00 0.00 C ATOM 512 CG2 VAL A 38 -25.883 132.124 130.658 1.00 0.00 C ATOM 0 H VAL A 38 -26.424 134.871 131.519 1.00 0.00 H new ATOM 0 HA VAL A 38 -25.038 132.856 133.205 1.00 0.00 H new ATOM 0 HB VAL A 38 -24.522 133.769 130.342 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -23.235 131.655 130.217 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -22.592 132.722 131.488 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -23.607 131.328 131.927 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -25.674 131.665 129.692 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -26.051 131.345 131.402 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -26.774 132.747 130.578 1.00 0.00 H new ATOM 522 N SER A 39 -23.171 134.333 133.880 1.00 0.00 N ATOM 523 CA SER A 39 -22.088 135.203 134.326 1.00 0.00 C ATOM 524 C SER A 39 -20.937 135.210 133.325 1.00 0.00 C ATOM 525 O SER A 39 -20.277 136.231 133.133 1.00 0.00 O ATOM 526 CB SER A 39 -21.576 134.739 135.690 1.00 0.00 C ATOM 527 OG SER A 39 -22.663 134.684 136.604 1.00 0.00 O ATOM 0 H SER A 39 -23.323 133.511 134.465 1.00 0.00 H new ATOM 0 HA SER A 39 -22.481 136.217 134.405 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.110 133.758 135.602 1.00 0.00 H new ATOM 0 HB3 SER A 39 -20.811 135.424 136.057 1.00 0.00 H new ATOM 0 HG SER A 39 -22.339 134.385 137.479 1.00 0.00 H new ATOM 533 N GLY A 40 -20.691 134.061 132.698 1.00 0.00 N ATOM 534 CA GLY A 40 -19.612 133.937 131.730 1.00 0.00 C ATOM 535 C GLY A 40 -19.162 132.488 131.656 1.00 0.00 C ATOM 536 O GLY A 40 -19.435 131.701 132.562 1.00 0.00 O ATOM 0 H GLY A 40 -21.226 133.205 132.845 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -19.948 134.275 130.750 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.776 134.574 132.018 1.00 0.00 H new ATOM 540 N VAL A 41 -18.481 132.129 130.566 1.00 0.00 N ATOM 541 CA VAL A 41 -17.999 130.753 130.367 1.00 0.00 C ATOM 542 C VAL A 41 -16.509 130.734 130.054 1.00 0.00 C ATOM 543 O VAL A 41 -15.985 131.636 129.401 1.00 0.00 O ATOM 544 CB VAL A 41 -18.788 130.125 129.224 1.00 0.00 C ATOM 545 CG1 VAL A 41 -20.286 130.266 129.520 1.00 0.00 C ATOM 546 CG2 VAL A 41 -18.455 130.842 127.913 1.00 0.00 C ATOM 0 H VAL A 41 -18.249 132.768 129.806 1.00 0.00 H new ATOM 0 HA VAL A 41 -18.148 130.182 131.284 1.00 0.00 H new ATOM 0 HB VAL A 41 -18.526 129.071 129.130 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -20.861 129.820 128.708 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -20.522 129.757 130.454 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -20.542 131.322 129.608 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.021 130.391 127.098 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.719 131.896 127.998 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -17.388 130.750 127.709 1.00 0.00 H new ATOM 556 N GLU A 42 -15.831 129.681 130.525 1.00 0.00 N ATOM 557 CA GLU A 42 -14.387 129.500 130.306 1.00 0.00 C ATOM 558 C GLU A 42 -14.141 128.183 129.581 1.00 0.00 C ATOM 559 O GLU A 42 -14.777 127.173 129.879 1.00 0.00 O ATOM 560 CB GLU A 42 -13.662 129.483 131.656 1.00 0.00 C ATOM 561 CG GLU A 42 -12.146 129.501 131.438 1.00 0.00 C ATOM 562 CD GLU A 42 -11.714 130.849 130.871 1.00 0.00 C ATOM 563 OE1 GLU A 42 -12.425 131.816 131.091 1.00 0.00 O ATOM 564 OE2 GLU A 42 -10.680 130.895 130.227 1.00 0.00 O1- ATOM 0 H GLU A 42 -16.263 128.932 131.066 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.008 130.323 129.700 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.962 130.346 132.250 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.946 128.594 132.219 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.633 129.313 132.381 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.860 128.702 130.755 1.00 0.00 H new ATOM 571 N MET A 43 -13.209 128.197 128.624 1.00 0.00 N ATOM 572 CA MET A 43 -12.868 126.994 127.845 1.00 0.00 C ATOM 573 C MET A 43 -11.479 126.499 128.244 1.00 0.00 C ATOM 574 O MET A 43 -10.569 127.299 128.459 1.00 0.00 O ATOM 575 CB MET A 43 -12.885 127.345 126.354 1.00 0.00 C ATOM 576 CG MET A 43 -14.114 128.209 126.055 1.00 0.00 C ATOM 577 SD MET A 43 -15.603 127.408 126.705 1.00 0.00 S ATOM 578 CE MET A 43 -15.933 126.311 125.302 1.00 0.00 C ATOM 0 H MET A 43 -12.674 129.027 128.367 1.00 0.00 H new ATOM 0 HA MET A 43 -13.595 126.207 128.045 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.975 127.880 126.084 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.910 126.435 125.754 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.995 129.195 126.505 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.211 128.359 124.980 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.293 125.350 125.669 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.690 126.760 124.659 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.015 126.162 124.733 1.00 0.00 H new ATOM 588 N SER A 44 -11.316 125.181 128.347 1.00 0.00 N ATOM 589 CA SER A 44 -10.023 124.626 128.728 1.00 0.00 C ATOM 590 C SER A 44 -9.027 124.723 127.577 1.00 0.00 C ATOM 591 O SER A 44 -9.408 124.756 126.407 1.00 0.00 O ATOM 592 CB SER A 44 -10.174 123.165 129.154 1.00 0.00 C ATOM 593 OG SER A 44 -10.576 122.387 128.035 1.00 0.00 O ATOM 0 H SER A 44 -12.048 124.492 128.176 1.00 0.00 H new ATOM 0 HA SER A 44 -9.644 125.208 129.568 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.230 122.791 129.551 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.911 123.082 129.953 1.00 0.00 H new ATOM 0 HG SER A 44 -11.511 122.584 127.819 1.00 0.00 H new ATOM 599 N ARG A 45 -7.750 124.774 127.930 1.00 0.00 N ATOM 600 CA ARG A 45 -6.679 124.874 126.944 1.00 0.00 C ATOM 601 C ARG A 45 -6.672 123.670 126.004 1.00 0.00 C ATOM 602 O ARG A 45 -6.325 123.796 124.829 1.00 0.00 O ATOM 603 CB ARG A 45 -5.336 124.972 127.667 1.00 0.00 C ATOM 604 CG ARG A 45 -4.219 125.251 126.658 1.00 0.00 C ATOM 605 CD ARG A 45 -2.878 125.326 127.390 1.00 0.00 C ATOM 606 NE ARG A 45 -1.818 125.703 126.463 1.00 0.00 N ATOM 607 CZ ARG A 45 -1.301 124.821 125.614 1.00 0.00 C ATOM 608 NH1 ARG A 45 -0.353 125.183 124.793 1.00 0.00 N1+ ATOM 609 NH2 ARG A 45 -1.743 123.593 125.599 1.00 0.00 N ATOM 0 H ARG A 45 -7.428 124.748 128.897 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.847 125.767 126.343 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.372 125.767 128.412 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.132 124.044 128.201 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.190 124.464 125.904 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.413 126.187 126.135 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.938 126.053 128.200 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.649 124.362 127.843 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.467 126.661 126.466 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.009 126.143 124.803 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.044 124.506 124.142 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.485 123.310 126.239 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.346 122.916 124.947 1.00 0.00 H new ATOM 623 N ASP A 46 -7.031 122.502 126.529 1.00 0.00 N ATOM 624 CA ASP A 46 -7.036 121.277 125.727 1.00 0.00 C ATOM 625 C ASP A 46 -8.319 121.162 124.910 1.00 0.00 C ATOM 626 O ASP A 46 -8.486 120.217 124.139 1.00 0.00 O ATOM 627 CB ASP A 46 -6.907 120.060 126.644 1.00 0.00 C ATOM 628 CG ASP A 46 -6.722 118.796 125.811 1.00 0.00 C ATOM 629 OD1 ASP A 46 -6.558 118.921 124.608 1.00 0.00 O ATOM 630 OD2 ASP A 46 -6.750 117.721 126.387 1.00 0.00 O1- ATOM 0 H ASP A 46 -7.321 122.375 127.499 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.190 121.316 125.040 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.059 120.189 127.317 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.797 119.968 127.267 1.00 0.00 H new ATOM 635 N LEU A 47 -9.225 122.114 125.098 1.00 0.00 N ATOM 636 CA LEU A 47 -10.492 122.100 124.384 1.00 0.00 C ATOM 637 C LEU A 47 -11.187 120.785 124.661 1.00 0.00 C ATOM 638 O LEU A 47 -12.031 120.327 123.890 1.00 0.00 O ATOM 639 CB LEU A 47 -10.272 122.277 122.872 1.00 0.00 C ATOM 640 CG LEU A 47 -9.956 123.746 122.552 1.00 0.00 C ATOM 641 CD1 LEU A 47 -8.593 124.132 123.144 1.00 0.00 C ATOM 642 CD2 LEU A 47 -9.926 123.934 121.032 1.00 0.00 C ATOM 0 H LEU A 47 -9.105 122.901 125.736 1.00 0.00 H new ATOM 0 HA LEU A 47 -11.110 122.929 124.728 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.453 121.640 122.539 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.162 121.962 122.328 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.725 124.384 122.988 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.378 125.175 122.912 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.615 123.998 124.225 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.817 123.497 122.715 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.702 124.975 120.798 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.158 123.292 120.601 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.897 123.669 120.613 1.00 0.00 H new ATOM 654 N ALA A 48 -10.809 120.181 125.789 1.00 0.00 N ATOM 655 CA ALA A 48 -11.371 118.907 126.226 1.00 0.00 C ATOM 656 C ALA A 48 -12.449 119.134 127.282 1.00 0.00 C ATOM 657 O ALA A 48 -13.455 118.427 127.318 1.00 0.00 O ATOM 658 CB ALA A 48 -10.265 118.031 126.815 1.00 0.00 C ATOM 0 H ALA A 48 -10.106 120.562 126.422 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.816 118.410 125.364 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.688 117.081 127.140 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.503 117.849 126.057 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.814 118.538 127.668 1.00 0.00 H new ATOM 664 N TYR A 49 -12.225 120.126 128.152 1.00 0.00 N ATOM 665 CA TYR A 49 -13.171 120.461 129.233 1.00 0.00 C ATOM 666 C TYR A 49 -13.603 121.921 129.137 1.00 0.00 C ATOM 667 O TYR A 49 -12.854 122.772 128.660 1.00 0.00 O ATOM 668 CB TYR A 49 -12.500 120.224 130.588 1.00 0.00 C ATOM 669 CG TYR A 49 -12.060 118.783 130.688 1.00 0.00 C ATOM 670 CD1 TYR A 49 -10.782 118.411 130.255 1.00 0.00 C ATOM 671 CD2 TYR A 49 -12.929 117.819 131.213 1.00 0.00 C ATOM 672 CE1 TYR A 49 -10.371 117.076 130.348 1.00 0.00 C ATOM 673 CE2 TYR A 49 -12.519 116.484 131.306 1.00 0.00 C ATOM 674 CZ TYR A 49 -11.241 116.112 130.873 1.00 0.00 C ATOM 675 OH TYR A 49 -10.837 114.796 130.964 1.00 0.00 O ATOM 0 H TYR A 49 -11.393 120.716 128.131 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.051 119.826 129.134 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.641 120.886 130.701 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -13.193 120.460 131.395 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.112 119.155 129.849 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.916 118.105 131.546 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.384 116.790 130.015 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -13.189 115.741 131.712 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.559 114.258 131.351 1.00 0.00 H new ATOM 685 N ALA A 50 -14.823 122.205 129.601 1.00 0.00 N ATOM 686 CA ALA A 50 -15.368 123.572 129.584 1.00 0.00 C ATOM 687 C ALA A 50 -16.142 123.849 130.868 1.00 0.00 C ATOM 688 O ALA A 50 -16.838 122.974 131.383 1.00 0.00 O ATOM 689 CB ALA A 50 -16.300 123.741 128.386 1.00 0.00 C ATOM 0 H ALA A 50 -15.455 121.508 129.994 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.540 124.277 129.507 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -16.701 124.754 128.377 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.745 123.563 127.465 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -17.120 123.027 128.459 1.00 0.00 H new ATOM 695 N LYS A 51 -16.022 125.080 131.385 1.00 0.00 N ATOM 696 CA LYS A 51 -16.720 125.487 132.619 1.00 0.00 C ATOM 697 C LYS A 51 -17.657 126.653 132.344 1.00 0.00 C ATOM 698 O LYS A 51 -17.236 127.692 131.837 1.00 0.00 O ATOM 699 CB LYS A 51 -15.694 125.903 133.675 1.00 0.00 C ATOM 700 CG LYS A 51 -14.831 124.697 134.052 1.00 0.00 C ATOM 701 CD LYS A 51 -13.883 125.083 135.189 1.00 0.00 C ATOM 702 CE LYS A 51 -12.939 123.916 135.486 1.00 0.00 C ATOM 703 NZ LYS A 51 -12.020 123.715 134.331 1.00 0.00 N1+ ATOM 0 H LYS A 51 -15.448 125.814 130.969 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.305 124.642 132.982 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.066 126.707 133.290 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.202 126.290 134.558 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.465 123.865 134.359 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.260 124.360 133.187 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.309 125.968 134.913 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.454 125.339 136.082 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.365 124.119 136.390 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.513 123.008 135.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.169 123.209 134.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.501 123.156 133.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.748 124.639 133.939 1.00 0.00 H new ATOM 717 N VAL A 52 -18.940 126.481 132.699 1.00 0.00 N ATOM 718 CA VAL A 52 -19.958 127.536 132.507 1.00 0.00 C ATOM 719 C VAL A 52 -20.555 127.945 133.849 1.00 0.00 C ATOM 720 O VAL A 52 -20.897 127.094 134.671 1.00 0.00 O ATOM 721 CB VAL A 52 -21.059 127.056 131.540 1.00 0.00 C ATOM 722 CG1 VAL A 52 -20.403 126.497 130.278 1.00 0.00 C ATOM 723 CG2 VAL A 52 -21.923 125.956 132.169 1.00 0.00 C ATOM 0 H VAL A 52 -19.300 125.625 133.120 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.477 128.409 132.065 1.00 0.00 H new ATOM 0 HB VAL A 52 -21.699 127.907 131.307 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -21.174 126.155 129.588 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -19.809 127.277 129.801 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -19.757 125.660 130.544 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -22.688 125.643 131.458 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -21.295 125.103 132.426 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -22.401 126.339 133.071 1.00 0.00 H new ATOM 733 N TYR A 53 -20.680 129.259 134.068 1.00 0.00 N ATOM 734 CA TYR A 53 -21.239 129.797 135.320 1.00 0.00 C ATOM 735 C TYR A 53 -22.620 130.388 135.056 1.00 0.00 C ATOM 736 O TYR A 53 -22.820 131.087 134.063 1.00 0.00 O ATOM 737 CB TYR A 53 -20.312 130.889 135.856 1.00 0.00 C ATOM 738 CG TYR A 53 -18.957 130.296 136.170 1.00 0.00 C ATOM 739 CD1 TYR A 53 -18.015 130.122 135.149 1.00 0.00 C ATOM 740 CD2 TYR A 53 -18.642 129.925 137.482 1.00 0.00 C ATOM 741 CE1 TYR A 53 -16.759 129.575 135.441 1.00 0.00 C ATOM 742 CE2 TYR A 53 -17.388 129.378 137.774 1.00 0.00 C ATOM 743 CZ TYR A 53 -16.446 129.203 136.754 1.00 0.00 C ATOM 744 OH TYR A 53 -15.209 128.663 137.042 1.00 0.00 O ATOM 0 H TYR A 53 -20.402 129.973 133.395 1.00 0.00 H new ATOM 0 HA TYR A 53 -21.326 128.995 136.053 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -20.209 131.686 135.120 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -20.741 131.336 136.753 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -18.257 130.409 134.136 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -19.368 130.061 138.270 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -16.032 129.440 134.654 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -17.147 129.091 138.787 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.155 128.461 137.999 1.00 0.00 H new ATOM 754 N VAL A 54 -23.584 130.096 135.942 1.00 0.00 N ATOM 755 CA VAL A 54 -24.966 130.600 135.783 1.00 0.00 C ATOM 756 C VAL A 54 -25.479 131.240 137.071 1.00 0.00 C ATOM 757 O VAL A 54 -25.134 130.818 138.176 1.00 0.00 O ATOM 758 CB VAL A 54 -25.886 129.440 135.400 1.00 0.00 C ATOM 759 CG1 VAL A 54 -27.291 129.972 135.122 1.00 0.00 C ATOM 760 CG2 VAL A 54 -25.343 128.753 134.145 1.00 0.00 C ATOM 0 H VAL A 54 -23.439 129.519 136.771 1.00 0.00 H new ATOM 0 HA VAL A 54 -24.962 131.359 135.001 1.00 0.00 H new ATOM 0 HB VAL A 54 -25.926 128.723 136.220 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -27.946 129.145 134.849 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -27.678 130.462 136.016 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -27.253 130.690 134.303 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -25.998 127.926 133.871 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -25.303 129.471 133.326 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -24.341 128.372 134.343 1.00 0.00 H new ATOM 770 N THR A 55 -26.323 132.269 136.907 1.00 0.00 N ATOM 771 CA THR A 55 -26.914 132.986 138.042 1.00 0.00 C ATOM 772 C THR A 55 -28.331 133.462 137.707 1.00 0.00 C ATOM 773 O THR A 55 -28.648 133.728 136.547 1.00 0.00 O ATOM 774 CB THR A 55 -26.030 134.188 138.406 1.00 0.00 C ATOM 775 OG1 THR A 55 -26.437 134.711 139.662 1.00 0.00 O ATOM 776 CG2 THR A 55 -26.144 135.277 137.333 1.00 0.00 C ATOM 0 H THR A 55 -26.611 132.623 135.995 1.00 0.00 H new ATOM 0 HA THR A 55 -26.974 132.306 138.892 1.00 0.00 H new ATOM 0 HB THR A 55 -24.992 133.860 138.464 1.00 0.00 H new ATOM 0 HG1 THR A 55 -25.872 135.477 139.896 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.512 136.123 137.604 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.821 134.876 136.372 1.00 0.00 H new ATOM 0 HG23 THR A 55 -27.180 135.607 137.259 1.00 0.00 H new ATOM 784 N PHE A 56 -29.170 133.591 138.736 1.00 0.00 N ATOM 785 CA PHE A 56 -30.543 134.062 138.548 1.00 0.00 C ATOM 786 C PHE A 56 -31.109 134.649 139.845 1.00 0.00 C ATOM 787 O PHE A 56 -30.708 134.271 140.943 1.00 0.00 O ATOM 788 CB PHE A 56 -31.428 132.927 138.004 1.00 0.00 C ATOM 789 CG PHE A 56 -31.097 131.616 138.678 1.00 0.00 C ATOM 790 CD1 PHE A 56 -31.762 131.227 139.845 1.00 0.00 C ATOM 791 CD2 PHE A 56 -30.127 130.779 138.114 1.00 0.00 C ATOM 792 CE1 PHE A 56 -31.457 129.998 140.446 1.00 0.00 C ATOM 793 CE2 PHE A 56 -29.818 129.555 138.718 1.00 0.00 C ATOM 794 CZ PHE A 56 -30.484 129.164 139.884 1.00 0.00 C ATOM 0 H PHE A 56 -28.925 133.377 139.703 1.00 0.00 H new ATOM 0 HA PHE A 56 -30.535 134.865 137.811 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -32.478 133.169 138.167 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -31.286 132.833 136.927 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -32.509 131.872 140.282 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -29.616 131.078 137.211 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -31.974 129.694 141.344 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -29.066 128.913 138.284 1.00 0.00 H new ATOM 0 HZ PHE A 56 -30.247 128.219 140.350 1.00 0.00 H new ATOM 804 N LEU A 57 -32.031 135.596 139.692 1.00 0.00 N ATOM 805 CA LEU A 57 -32.652 136.277 140.832 1.00 0.00 C ATOM 806 C LEU A 57 -33.436 135.308 141.714 1.00 0.00 C ATOM 807 O LEU A 57 -33.620 135.555 142.904 1.00 0.00 O ATOM 808 CB LEU A 57 -33.577 137.392 140.320 1.00 0.00 C ATOM 809 CG LEU A 57 -34.123 138.244 141.486 1.00 0.00 C ATOM 810 CD1 LEU A 57 -32.986 139.053 142.153 1.00 0.00 C ATOM 811 CD2 LEU A 57 -35.192 139.202 140.935 1.00 0.00 C ATOM 0 H LEU A 57 -32.369 135.913 138.783 1.00 0.00 H new ATOM 0 HA LEU A 57 -31.858 136.706 141.444 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -33.032 138.030 139.624 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -34.407 136.954 139.766 1.00 0.00 H new ATOM 0 HG LEU A 57 -34.558 137.588 142.240 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -33.393 139.646 142.972 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -32.232 138.369 142.541 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -32.531 139.715 141.417 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -35.588 139.811 141.747 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -34.746 139.849 140.180 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -36.001 138.625 140.487 1.00 0.00 H new ATOM 823 N ASN A 58 -33.897 134.206 141.139 1.00 0.00 N ATOM 824 CA ASN A 58 -34.670 133.236 141.901 1.00 0.00 C ATOM 825 C ASN A 58 -33.724 132.376 142.706 1.00 0.00 C ATOM 826 O ASN A 58 -34.139 131.454 143.408 1.00 0.00 O ATOM 827 CB ASN A 58 -35.503 132.359 140.962 1.00 0.00 C ATOM 828 CG ASN A 58 -36.528 133.215 140.227 1.00 0.00 C ATOM 829 OD1 ASN A 58 -37.081 132.761 139.136 1.00 0.00 O flip ATOM 830 ND2 ASN A 58 -36.835 134.326 140.659 1.00 0.00 N flip ATOM 0 H ASN A 58 -33.752 133.963 140.159 1.00 0.00 H new ATOM 0 HA ASN A 58 -35.350 133.763 142.570 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -34.852 131.859 140.245 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -36.009 131.579 141.531 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -36.402 134.679 141.512 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -37.523 134.893 140.164 1.00 0.00 H new ATOM 837 N ASP A 59 -32.448 132.734 142.648 1.00 0.00 N ATOM 838 CA ASP A 59 -31.454 132.039 143.429 1.00 0.00 C ATOM 839 C ASP A 59 -31.770 132.281 144.887 1.00 0.00 C ATOM 840 O ASP A 59 -31.272 131.585 145.774 1.00 0.00 O ATOM 841 CB ASP A 59 -30.043 132.532 143.093 1.00 0.00 C ATOM 842 CG ASP A 59 -29.895 134.016 143.423 1.00 0.00 C ATOM 843 OD1 ASP A 59 -30.782 134.558 144.062 1.00 0.00 O ATOM 844 OD2 ASP A 59 -28.894 134.591 143.029 1.00 0.00 O1- ATOM 0 H ASP A 59 -32.087 133.495 142.072 1.00 0.00 H new ATOM 0 HA ASP A 59 -31.479 130.973 143.203 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -29.308 131.955 143.654 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -29.838 132.368 142.035 1.00 0.00 H new ATOM 849 N LYS A 60 -32.621 133.280 145.128 1.00 0.00 N ATOM 850 CA LYS A 60 -33.009 133.599 146.490 1.00 0.00 C ATOM 851 C LYS A 60 -33.898 132.494 147.054 1.00 0.00 C ATOM 852 O LYS A 60 -33.842 132.185 148.245 1.00 0.00 O ATOM 853 CB LYS A 60 -33.738 134.955 146.558 1.00 0.00 C ATOM 854 CG LYS A 60 -35.058 134.916 145.769 1.00 0.00 C ATOM 855 CD LYS A 60 -35.790 136.261 145.915 1.00 0.00 C ATOM 856 CE LYS A 60 -34.929 137.418 145.382 1.00 0.00 C ATOM 857 NZ LYS A 60 -35.816 138.547 144.983 1.00 0.00 N1+ ATOM 0 H LYS A 60 -33.044 133.868 144.409 1.00 0.00 H new ATOM 0 HA LYS A 60 -32.104 133.672 147.093 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -33.940 135.211 147.598 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -33.094 135.738 146.157 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -34.858 134.712 144.717 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -35.688 134.106 146.136 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -36.734 136.226 145.372 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -36.031 136.436 146.963 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -34.225 137.746 146.147 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -34.339 137.084 144.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -35.237 139.332 144.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -36.470 138.229 144.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -36.360 138.869 145.809 1.00 0.00 H new ATOM 871 N ASP A 61 -34.710 131.891 146.182 1.00 0.00 N ATOM 872 CA ASP A 61 -35.608 130.803 146.586 1.00 0.00 C ATOM 873 C ASP A 61 -34.907 129.456 146.432 1.00 0.00 C ATOM 874 O ASP A 61 -34.537 129.057 145.328 1.00 0.00 O ATOM 875 CB ASP A 61 -36.873 130.827 145.727 1.00 0.00 C ATOM 876 CG ASP A 61 -37.853 129.763 146.209 1.00 0.00 C ATOM 877 OD1 ASP A 61 -37.572 129.144 147.222 1.00 0.00 O ATOM 878 OD2 ASP A 61 -38.868 129.583 145.559 1.00 0.00 O1- ATOM 0 H ASP A 61 -34.765 132.136 145.193 1.00 0.00 H new ATOM 0 HA ASP A 61 -35.880 130.943 147.632 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -37.338 131.811 145.778 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -36.616 130.650 144.683 1.00 0.00 H new ATOM 883 N GLU A 62 -34.719 128.768 147.551 1.00 0.00 N ATOM 884 CA GLU A 62 -34.051 127.472 147.546 1.00 0.00 C ATOM 885 C GLU A 62 -34.796 126.466 146.676 1.00 0.00 C ATOM 886 O GLU A 62 -34.185 125.601 146.050 1.00 0.00 O ATOM 887 CB GLU A 62 -33.961 126.933 148.975 1.00 0.00 C ATOM 888 CG GLU A 62 -33.103 127.873 149.824 1.00 0.00 C ATOM 889 CD GLU A 62 -32.965 127.317 151.237 1.00 0.00 C ATOM 890 OE1 GLU A 62 -33.624 126.334 151.532 1.00 0.00 O ATOM 891 OE2 GLU A 62 -32.205 127.883 152.004 1.00 0.00 O1- ATOM 0 H GLU A 62 -35.019 129.085 148.473 1.00 0.00 H new ATOM 0 HA GLU A 62 -33.052 127.611 147.133 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -34.959 126.846 149.405 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -33.528 125.933 148.971 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -32.118 127.988 149.372 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -33.557 128.864 149.856 1.00 0.00 H new ATOM 898 N ASP A 63 -36.116 126.585 146.641 1.00 0.00 N ATOM 899 CA ASP A 63 -36.929 125.680 145.844 1.00 0.00 C ATOM 900 C ASP A 63 -36.626 125.884 144.377 1.00 0.00 C ATOM 901 O ASP A 63 -36.562 124.934 143.596 1.00 0.00 O ATOM 902 CB ASP A 63 -38.414 125.936 146.105 1.00 0.00 C ATOM 903 CG ASP A 63 -39.256 124.866 145.418 1.00 0.00 C ATOM 904 OD1 ASP A 63 -39.624 125.075 144.274 1.00 0.00 O ATOM 905 OD2 ASP A 63 -39.520 123.854 146.045 1.00 0.00 O1- ATOM 0 H ASP A 63 -36.643 127.294 147.151 1.00 0.00 H new ATOM 0 HA ASP A 63 -36.694 124.653 146.124 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -38.609 125.931 147.177 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -38.692 126.923 145.735 1.00 0.00 H new ATOM 910 N ALA A 64 -36.440 127.142 144.015 1.00 0.00 N ATOM 911 CA ALA A 64 -36.140 127.492 142.643 1.00 0.00 C ATOM 912 C ALA A 64 -34.778 126.950 142.227 1.00 0.00 C ATOM 913 O ALA A 64 -34.596 126.505 141.094 1.00 0.00 O ATOM 914 CB ALA A 64 -36.153 129.012 142.477 1.00 0.00 C ATOM 0 H ALA A 64 -36.492 127.935 144.654 1.00 0.00 H new ATOM 0 HA ALA A 64 -36.903 127.046 142.006 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -35.926 129.267 141.442 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -37.138 129.398 142.738 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -35.404 129.456 143.132 1.00 0.00 H new ATOM 920 N VAL A 65 -33.825 126.991 143.152 1.00 0.00 N ATOM 921 CA VAL A 65 -32.485 126.501 142.872 1.00 0.00 C ATOM 922 C VAL A 65 -32.493 124.986 142.758 1.00 0.00 C ATOM 923 O VAL A 65 -31.797 124.407 141.926 1.00 0.00 O ATOM 924 CB VAL A 65 -31.528 126.931 143.991 1.00 0.00 C ATOM 925 CG1 VAL A 65 -30.149 126.303 143.769 1.00 0.00 C ATOM 926 CG2 VAL A 65 -31.395 128.456 143.988 1.00 0.00 C ATOM 0 H VAL A 65 -33.956 127.356 144.095 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.147 126.925 141.927 1.00 0.00 H new ATOM 0 HB VAL A 65 -31.925 126.597 144.949 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -29.475 126.613 144.568 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -30.239 125.217 143.772 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -29.750 126.632 142.809 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -30.715 128.764 144.783 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -31.001 128.785 143.026 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -32.374 128.907 144.153 1.00 0.00 H new ATOM 936 N LYS A 66 -33.281 124.356 143.616 1.00 0.00 N ATOM 937 CA LYS A 66 -33.384 122.922 143.638 1.00 0.00 C ATOM 938 C LYS A 66 -34.036 122.402 142.367 1.00 0.00 C ATOM 939 O LYS A 66 -33.563 121.454 141.745 1.00 0.00 O ATOM 940 CB LYS A 66 -34.220 122.521 144.850 1.00 0.00 C ATOM 941 CG LYS A 66 -34.223 121.008 145.008 1.00 0.00 C ATOM 942 CD LYS A 66 -35.108 120.639 146.191 1.00 0.00 C ATOM 943 CE LYS A 66 -35.024 119.140 146.426 1.00 0.00 C ATOM 944 NZ LYS A 66 -33.652 118.786 146.886 1.00 0.00 N1+ ATOM 0 H LYS A 66 -33.860 124.830 144.309 1.00 0.00 H new ATOM 0 HA LYS A 66 -32.386 122.489 143.701 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -33.817 122.987 145.749 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -35.241 122.884 144.733 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -34.592 120.534 144.098 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -33.208 120.643 145.168 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -34.788 121.178 147.083 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -36.139 120.932 145.995 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -35.759 118.836 147.172 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -35.261 118.603 145.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -33.682 117.886 147.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -33.024 118.689 146.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -33.291 119.535 147.510 1.00 0.00 H new ATOM 958 N ALA A 67 -35.133 123.028 141.993 1.00 0.00 N ATOM 959 CA ALA A 67 -35.850 122.621 140.809 1.00 0.00 C ATOM 960 C ALA A 67 -35.050 122.953 139.564 1.00 0.00 C ATOM 961 O ALA A 67 -35.019 122.189 138.599 1.00 0.00 O ATOM 962 CB ALA A 67 -37.208 123.324 140.753 1.00 0.00 C ATOM 0 H ALA A 67 -35.544 123.817 142.492 1.00 0.00 H new ATOM 0 HA ALA A 67 -36.004 121.543 140.850 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -37.743 123.011 139.856 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -37.792 123.059 141.635 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -37.058 124.403 140.728 1.00 0.00 H new ATOM 968 N GLY A 68 -34.421 124.111 139.600 1.00 0.00 N ATOM 969 CA GLY A 68 -33.636 124.572 138.476 1.00 0.00 C ATOM 970 C GLY A 68 -32.352 123.768 138.289 1.00 0.00 C ATOM 971 O GLY A 68 -32.054 123.314 137.184 1.00 0.00 O ATOM 0 H GLY A 68 -34.439 124.749 140.396 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -34.236 124.509 137.568 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -33.385 125.623 138.619 1.00 0.00 H new ATOM 975 N ILE A 69 -31.581 123.613 139.361 1.00 0.00 N ATOM 976 CA ILE A 69 -30.315 122.888 139.265 1.00 0.00 C ATOM 977 C ILE A 69 -30.520 121.452 138.796 1.00 0.00 C ATOM 978 O ILE A 69 -29.719 120.932 138.020 1.00 0.00 O ATOM 979 CB ILE A 69 -29.574 122.911 140.615 1.00 0.00 C ATOM 980 CG1 ILE A 69 -28.120 122.464 140.418 1.00 0.00 C ATOM 981 CG2 ILE A 69 -30.258 121.970 141.608 1.00 0.00 C ATOM 982 CD1 ILE A 69 -27.335 122.696 141.710 1.00 0.00 C ATOM 0 H ILE A 69 -31.803 123.971 140.290 1.00 0.00 H new ATOM 0 HA ILE A 69 -29.704 123.395 138.518 1.00 0.00 H new ATOM 0 HB ILE A 69 -29.596 123.928 141.007 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -28.087 121.409 140.144 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.665 123.021 139.599 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -29.725 121.995 142.559 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -31.289 122.290 141.761 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -30.248 120.954 141.213 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.302 122.378 141.570 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -27.358 123.756 141.964 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -27.785 122.119 142.518 1.00 0.00 H new ATOM 994 N LYS A 70 -31.603 120.823 139.231 1.00 0.00 N ATOM 995 CA LYS A 70 -31.881 119.465 138.793 1.00 0.00 C ATOM 996 C LYS A 70 -32.221 119.479 137.320 1.00 0.00 C ATOM 997 O LYS A 70 -31.833 118.585 136.571 1.00 0.00 O ATOM 998 CB LYS A 70 -33.032 118.838 139.590 1.00 0.00 C ATOM 999 CG LYS A 70 -32.574 118.504 141.015 1.00 0.00 C ATOM 1000 CD LYS A 70 -33.642 117.646 141.704 1.00 0.00 C ATOM 1001 CE LYS A 70 -34.964 118.419 141.801 1.00 0.00 C ATOM 1002 NZ LYS A 70 -35.815 117.811 142.864 1.00 0.00 N1+ ATOM 0 H LYS A 70 -32.289 121.221 139.872 1.00 0.00 H new ATOM 0 HA LYS A 70 -30.992 118.859 138.967 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -33.877 119.526 139.624 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -33.378 117.933 139.091 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -31.624 117.970 140.988 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -32.408 119.421 141.580 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -33.793 116.723 141.145 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -33.304 117.363 142.701 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -34.770 119.467 142.030 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -35.484 118.393 140.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -36.489 118.520 143.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -36.338 117.003 142.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -35.213 117.486 143.647 1.00 0.00 H new ATOM 1016 N ALA A 71 -32.935 120.515 136.905 1.00 0.00 N ATOM 1017 CA ALA A 71 -33.301 120.638 135.512 1.00 0.00 C ATOM 1018 C ALA A 71 -32.046 120.827 134.680 1.00 0.00 C ATOM 1019 O ALA A 71 -31.880 120.218 133.625 1.00 0.00 O ATOM 1020 CB ALA A 71 -34.240 121.828 135.314 1.00 0.00 C ATOM 0 H ALA A 71 -33.266 121.269 137.507 1.00 0.00 H new ATOM 0 HA ALA A 71 -33.817 119.732 135.195 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -34.508 121.909 134.260 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -35.143 121.682 135.907 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -33.740 122.743 135.633 1.00 0.00 H new ATOM 1026 N LEU A 72 -31.160 121.671 135.187 1.00 0.00 N ATOM 1027 CA LEU A 72 -29.897 121.952 134.523 1.00 0.00 C ATOM 1028 C LEU A 72 -28.985 120.730 134.550 1.00 0.00 C ATOM 1029 O LEU A 72 -28.242 120.475 133.603 1.00 0.00 O ATOM 1030 CB LEU A 72 -29.208 123.139 135.215 1.00 0.00 C ATOM 1031 CG LEU A 72 -27.839 123.441 134.576 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -27.997 123.736 133.072 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -27.232 124.662 135.282 1.00 0.00 C ATOM 0 H LEU A 72 -31.295 122.176 136.063 1.00 0.00 H new ATOM 0 HA LEU A 72 -30.097 122.202 133.481 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -29.845 124.021 135.149 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -29.077 122.919 136.274 1.00 0.00 H new ATOM 0 HG LEU A 72 -27.186 122.575 134.687 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -27.020 123.947 132.638 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.435 122.870 132.575 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.648 124.600 132.937 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -26.261 124.891 134.842 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.896 125.518 135.163 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -27.108 124.444 136.343 1.00 0.00 H new ATOM 1045 N GLN A 73 -29.034 119.988 135.652 1.00 0.00 N ATOM 1046 CA GLN A 73 -28.194 118.812 135.801 1.00 0.00 C ATOM 1047 C GLN A 73 -28.647 117.718 134.856 1.00 0.00 C ATOM 1048 O GLN A 73 -27.839 117.095 134.168 1.00 0.00 O ATOM 1049 CB GLN A 73 -28.255 118.309 137.247 1.00 0.00 C ATOM 1050 CG GLN A 73 -27.198 117.222 137.468 1.00 0.00 C ATOM 1051 CD GLN A 73 -25.803 117.839 137.437 1.00 0.00 C ATOM 1052 OE1 GLN A 73 -25.580 118.900 138.023 1.00 0.00 O ATOM 1053 NE2 GLN A 73 -24.847 117.237 136.786 1.00 0.00 N ATOM 0 H GLN A 73 -29.643 120.181 136.448 1.00 0.00 H new ATOM 0 HA GLN A 73 -27.166 119.082 135.557 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -28.087 119.137 137.936 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -29.247 117.912 137.461 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -27.366 116.729 138.426 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -27.284 116.457 136.696 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -25.034 116.359 136.302 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -23.912 117.644 136.761 1.00 0.00 H new ATOM 1062 N GLU A 74 -29.949 117.502 134.820 1.00 0.00 N ATOM 1063 CA GLU A 74 -30.510 116.490 133.948 1.00 0.00 C ATOM 1064 C GLU A 74 -30.424 116.926 132.500 1.00 0.00 C ATOM 1065 O GLU A 74 -30.184 116.122 131.600 1.00 0.00 O ATOM 1066 CB GLU A 74 -31.966 116.249 134.312 1.00 0.00 C ATOM 1067 CG GLU A 74 -32.044 115.591 135.688 1.00 0.00 C ATOM 1068 CD GLU A 74 -33.498 115.311 136.051 1.00 0.00 C ATOM 1069 OE1 GLU A 74 -34.368 115.772 135.331 1.00 0.00 O ATOM 1070 OE2 GLU A 74 -33.721 114.639 137.045 1.00 0.00 O1- ATOM 0 H GLU A 74 -30.633 118.010 135.381 1.00 0.00 H new ATOM 0 HA GLU A 74 -29.939 115.570 134.075 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -32.512 117.192 134.317 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -32.438 115.611 133.565 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -31.475 114.661 135.688 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -31.592 116.241 136.437 1.00 0.00 H new ATOM 1077 N ALA A 75 -30.622 118.212 132.298 1.00 0.00 N ATOM 1078 CA ALA A 75 -30.571 118.793 130.969 1.00 0.00 C ATOM 1079 C ALA A 75 -29.133 118.882 130.488 1.00 0.00 C ATOM 1080 O ALA A 75 -28.874 119.215 129.335 1.00 0.00 O ATOM 1081 CB ALA A 75 -31.182 120.193 130.998 1.00 0.00 C ATOM 0 H ALA A 75 -30.821 118.881 133.042 1.00 0.00 H new ATOM 0 HA ALA A 75 -31.136 118.158 130.286 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -31.143 120.628 129.999 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -32.220 120.130 131.326 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -30.620 120.821 131.689 1.00 0.00 H new ATOM 1087 N SER A 76 -28.198 118.616 131.390 1.00 0.00 N ATOM 1088 CA SER A 76 -26.783 118.714 131.045 1.00 0.00 C ATOM 1089 C SER A 76 -26.413 117.835 129.851 1.00 0.00 C ATOM 1090 O SER A 76 -25.789 118.307 128.901 1.00 0.00 O ATOM 1091 CB SER A 76 -25.934 118.306 132.248 1.00 0.00 C ATOM 1092 OG SER A 76 -26.309 119.090 133.373 1.00 0.00 O ATOM 0 H SER A 76 -28.387 118.335 132.352 1.00 0.00 H new ATOM 0 HA SER A 76 -26.588 119.750 130.769 1.00 0.00 H new ATOM 0 HB2 SER A 76 -26.074 117.247 132.465 1.00 0.00 H new ATOM 0 HB3 SER A 76 -24.876 118.449 132.027 1.00 0.00 H new ATOM 0 HG SER A 76 -26.955 119.773 133.095 1.00 0.00 H new ATOM 1098 N GLY A 77 -26.802 116.567 129.891 1.00 0.00 N ATOM 1099 CA GLY A 77 -26.474 115.654 128.801 1.00 0.00 C ATOM 1100 C GLY A 77 -27.028 116.155 127.477 1.00 0.00 C ATOM 1101 O GLY A 77 -26.374 116.052 126.439 1.00 0.00 O ATOM 0 H GLY A 77 -27.337 116.151 130.653 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -25.392 115.546 128.727 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -26.879 114.666 129.017 1.00 0.00 H new ATOM 1105 N PHE A 78 -28.232 116.695 127.522 1.00 0.00 N ATOM 1106 CA PHE A 78 -28.869 117.212 126.322 1.00 0.00 C ATOM 1107 C PHE A 78 -28.126 118.424 125.773 1.00 0.00 C ATOM 1108 O PHE A 78 -27.931 118.547 124.567 1.00 0.00 O ATOM 1109 CB PHE A 78 -30.301 117.613 126.647 1.00 0.00 C ATOM 1110 CG PHE A 78 -31.125 116.375 126.914 1.00 0.00 C ATOM 1111 CD1 PHE A 78 -31.172 115.828 128.202 1.00 0.00 C ATOM 1112 CD2 PHE A 78 -31.847 115.779 125.874 1.00 0.00 C ATOM 1113 CE1 PHE A 78 -31.938 114.682 128.448 1.00 0.00 C ATOM 1114 CE2 PHE A 78 -32.613 114.633 126.120 1.00 0.00 C ATOM 1115 CZ PHE A 78 -32.658 114.085 127.407 1.00 0.00 C ATOM 0 H PHE A 78 -28.788 116.787 128.372 1.00 0.00 H new ATOM 0 HA PHE A 78 -28.852 116.428 125.565 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -30.317 118.268 127.518 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -30.729 118.175 125.817 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -30.618 116.290 129.006 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -31.813 116.203 124.881 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -31.973 114.259 129.441 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -33.169 114.172 125.317 1.00 0.00 H new ATOM 0 HZ PHE A 78 -33.249 113.201 127.597 1.00 0.00 H new ATOM 1125 N ILE A 79 -27.720 119.325 126.661 1.00 0.00 N ATOM 1126 CA ILE A 79 -27.015 120.527 126.234 1.00 0.00 C ATOM 1127 C ILE A 79 -25.724 120.169 125.518 1.00 0.00 C ATOM 1128 O ILE A 79 -25.360 120.777 124.512 1.00 0.00 O ATOM 1129 CB ILE A 79 -26.721 121.402 127.464 1.00 0.00 C ATOM 1130 CG1 ILE A 79 -28.041 121.950 128.026 1.00 0.00 C ATOM 1131 CG2 ILE A 79 -25.795 122.568 127.084 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -27.822 122.462 129.452 1.00 0.00 C ATOM 0 H ILE A 79 -27.865 119.248 127.668 1.00 0.00 H new ATOM 0 HA ILE A 79 -27.642 121.080 125.535 1.00 0.00 H new ATOM 0 HB ILE A 79 -26.223 120.795 128.220 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -28.410 122.757 127.392 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -28.801 121.169 128.023 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -25.597 123.177 127.966 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -24.855 122.175 126.696 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -26.275 123.180 126.320 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -28.761 122.850 129.847 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -27.473 121.644 130.083 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -27.076 123.257 129.443 1.00 0.00 H new ATOM 1144 N ARG A 80 -25.046 119.180 126.055 1.00 0.00 N ATOM 1145 CA ARG A 80 -23.780 118.724 125.478 1.00 0.00 C ATOM 1146 C ARG A 80 -23.984 118.148 124.092 1.00 0.00 C ATOM 1147 O ARG A 80 -23.236 118.437 123.157 1.00 0.00 O ATOM 1148 CB ARG A 80 -23.152 117.657 126.369 1.00 0.00 C ATOM 1149 CG ARG A 80 -22.697 118.291 127.682 1.00 0.00 C ATOM 1150 CD ARG A 80 -21.942 117.255 128.515 1.00 0.00 C ATOM 1151 NE ARG A 80 -22.771 116.075 128.727 1.00 0.00 N ATOM 1152 CZ ARG A 80 -22.300 115.009 129.366 1.00 0.00 C ATOM 1153 NH1 ARG A 80 -23.061 113.964 129.542 1.00 0.00 N1+ ATOM 1154 NH2 ARG A 80 -21.075 115.008 129.817 1.00 0.00 N ATOM 0 H ARG A 80 -25.340 118.671 126.888 1.00 0.00 H new ATOM 0 HA ARG A 80 -23.119 119.588 125.407 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -23.873 116.863 126.567 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -22.304 117.198 125.862 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -22.055 119.149 127.481 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -23.559 118.661 128.237 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -21.019 116.973 128.008 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -21.659 117.686 129.475 1.00 0.00 H new ATOM 0 HE ARG A 80 -23.730 116.067 128.379 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -24.018 113.965 129.189 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -22.699 113.146 130.032 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -20.480 115.825 129.679 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.713 114.190 130.308 1.00 0.00 H new ATOM 1168 N SER A 81 -25.004 117.326 123.985 1.00 0.00 N ATOM 1169 CA SER A 81 -25.343 116.677 122.737 1.00 0.00 C ATOM 1170 C SER A 81 -25.872 117.681 121.742 1.00 0.00 C ATOM 1171 O SER A 81 -25.622 117.595 120.545 1.00 0.00 O ATOM 1172 CB SER A 81 -26.415 115.637 123.016 1.00 0.00 C ATOM 1173 OG SER A 81 -25.856 114.572 123.773 1.00 0.00 O ATOM 0 H SER A 81 -25.622 117.088 124.761 1.00 0.00 H new ATOM 0 HA SER A 81 -24.451 116.211 122.317 1.00 0.00 H new ATOM 0 HB2 SER A 81 -27.243 116.090 123.562 1.00 0.00 H new ATOM 0 HB3 SER A 81 -26.821 115.257 122.078 1.00 0.00 H new ATOM 0 HG SER A 81 -25.879 114.801 124.726 1.00 0.00 H new ATOM 1179 N LEU A 82 -26.615 118.629 122.261 1.00 0.00 N ATOM 1180 CA LEU A 82 -27.204 119.655 121.437 1.00 0.00 C ATOM 1181 C LEU A 82 -26.137 120.560 120.869 1.00 0.00 C ATOM 1182 O LEU A 82 -26.220 121.009 119.726 1.00 0.00 O ATOM 1183 CB LEU A 82 -28.196 120.470 122.282 1.00 0.00 C ATOM 1184 CG LEU A 82 -29.507 119.675 122.484 1.00 0.00 C ATOM 1185 CD1 LEU A 82 -30.259 120.221 123.703 1.00 0.00 C ATOM 1186 CD2 LEU A 82 -30.431 119.810 121.252 1.00 0.00 C ATOM 0 H LEU A 82 -26.826 118.710 123.256 1.00 0.00 H new ATOM 0 HA LEU A 82 -27.729 119.188 120.604 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -27.753 120.706 123.249 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -28.410 121.419 121.790 1.00 0.00 H new ATOM 0 HG LEU A 82 -29.244 118.627 122.629 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -31.182 119.659 123.843 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -29.635 120.120 124.591 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -30.495 121.273 123.543 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -31.346 119.242 121.419 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -30.679 120.860 121.097 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -29.920 119.424 120.370 1.00 0.00 H new ATOM 1198 N LEU A 83 -25.139 120.822 121.679 1.00 0.00 N ATOM 1199 CA LEU A 83 -24.052 121.681 121.261 1.00 0.00 C ATOM 1200 C LEU A 83 -23.231 121.012 120.178 1.00 0.00 C ATOM 1201 O LEU A 83 -22.945 121.598 119.135 1.00 0.00 O ATOM 1202 CB LEU A 83 -23.147 121.980 122.463 1.00 0.00 C ATOM 1203 CG LEU A 83 -23.813 123.020 123.399 1.00 0.00 C ATOM 1204 CD1 LEU A 83 -23.227 122.885 124.807 1.00 0.00 C ATOM 1205 CD2 LEU A 83 -23.529 124.446 122.900 1.00 0.00 C ATOM 0 H LEU A 83 -25.055 120.456 122.627 1.00 0.00 H new ATOM 0 HA LEU A 83 -24.472 122.607 120.867 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -22.949 121.061 123.014 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -22.185 122.358 122.116 1.00 0.00 H new ATOM 0 HG LEU A 83 -24.888 122.839 123.409 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -23.694 123.616 125.467 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -23.417 121.881 125.185 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -22.152 123.062 124.772 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -24.003 125.166 123.567 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -22.453 124.619 122.885 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -23.930 124.566 121.893 1.00 0.00 H new ATOM 1217 N GLY A 84 -22.844 119.787 120.457 1.00 0.00 N ATOM 1218 CA GLY A 84 -22.034 119.040 119.520 1.00 0.00 C ATOM 1219 C GLY A 84 -22.784 118.767 118.225 1.00 0.00 C ATOM 1220 O GLY A 84 -22.232 118.913 117.138 1.00 0.00 O ATOM 0 H GLY A 84 -23.074 119.290 121.317 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.122 119.596 119.303 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -21.731 118.095 119.972 1.00 0.00 H new ATOM 1224 N LYS A 85 -24.042 118.372 118.354 1.00 0.00 N ATOM 1225 CA LYS A 85 -24.871 118.073 117.182 1.00 0.00 C ATOM 1226 C LYS A 85 -25.243 119.327 116.406 1.00 0.00 C ATOM 1227 O LYS A 85 -25.228 119.337 115.177 1.00 0.00 O ATOM 1228 CB LYS A 85 -26.144 117.341 117.613 1.00 0.00 C ATOM 1229 CG LYS A 85 -25.786 115.928 118.076 1.00 0.00 C ATOM 1230 CD LYS A 85 -27.062 115.180 118.467 1.00 0.00 C ATOM 1231 CE LYS A 85 -26.695 113.808 119.035 1.00 0.00 C ATOM 1232 NZ LYS A 85 -25.725 113.979 120.154 1.00 0.00 N1+ ATOM 0 H LYS A 85 -24.514 118.250 119.250 1.00 0.00 H new ATOM 0 HA LYS A 85 -24.280 117.437 116.522 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -26.635 117.886 118.419 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -26.849 117.296 116.783 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -25.268 115.393 117.280 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -25.104 115.974 118.925 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -27.621 115.754 119.206 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -27.709 115.064 117.598 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -27.590 113.298 119.390 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -26.260 113.183 118.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -25.988 113.352 120.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -24.769 113.738 119.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -25.740 114.967 120.479 1.00 0.00 H new ATOM 1246 N ALA A 86 -25.593 120.374 117.131 1.00 0.00 N ATOM 1247 CA ALA A 86 -25.987 121.629 116.497 1.00 0.00 C ATOM 1248 C ALA A 86 -24.821 122.214 115.720 1.00 0.00 C ATOM 1249 O ALA A 86 -24.980 122.680 114.592 1.00 0.00 O ATOM 1250 CB ALA A 86 -26.453 122.631 117.555 1.00 0.00 C ATOM 0 H ALA A 86 -25.614 120.386 118.151 1.00 0.00 H new ATOM 0 HA ALA A 86 -26.808 121.427 115.809 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -26.744 123.563 117.070 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -27.307 122.220 118.094 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -25.641 122.825 118.255 1.00 0.00 H new ATOM 1256 N MET A 87 -23.639 122.165 116.329 1.00 0.00 N ATOM 1257 CA MET A 87 -22.424 122.667 115.693 1.00 0.00 C ATOM 1258 C MET A 87 -21.764 121.556 114.893 1.00 0.00 C ATOM 1259 O MET A 87 -20.891 121.810 114.063 1.00 0.00 O ATOM 1260 CB MET A 87 -21.448 123.184 116.754 1.00 0.00 C ATOM 1261 CG MET A 87 -22.030 124.436 117.416 1.00 0.00 C ATOM 1262 SD MET A 87 -20.779 125.203 118.479 1.00 0.00 S ATOM 1263 CE MET A 87 -21.112 124.241 119.975 1.00 0.00 C ATOM 0 H MET A 87 -23.497 121.782 117.264 1.00 0.00 H new ATOM 0 HA MET A 87 -22.690 123.486 115.024 1.00 0.00 H new ATOM 0 HB2 MET A 87 -21.268 122.414 117.504 1.00 0.00 H new ATOM 0 HB3 MET A 87 -20.486 123.415 116.297 1.00 0.00 H new ATOM 0 HG2 MET A 87 -22.357 125.143 116.654 1.00 0.00 H new ATOM 0 HG3 MET A 87 -22.909 124.173 118.004 1.00 0.00 H new ATOM 0 HE1 MET A 87 -20.438 124.560 120.770 1.00 0.00 H new ATOM 0 HE2 MET A 87 -22.144 124.401 120.288 1.00 0.00 H new ATOM 0 HE3 MET A 87 -20.955 123.182 119.769 1.00 0.00 H new ATOM 1273 N ARG A 88 -22.173 120.314 115.160 1.00 0.00 N ATOM 1274 CA ARG A 88 -21.591 119.177 114.464 1.00 0.00 C ATOM 1275 C ARG A 88 -20.078 119.240 114.612 1.00 0.00 C ATOM 1276 O ARG A 88 -19.331 118.926 113.685 1.00 0.00 O ATOM 1277 CB ARG A 88 -21.977 119.219 112.988 1.00 0.00 C ATOM 1278 CG ARG A 88 -23.494 119.085 112.852 1.00 0.00 C ATOM 1279 CD ARG A 88 -23.869 118.984 111.372 1.00 0.00 C ATOM 1280 NE ARG A 88 -25.318 119.061 111.212 1.00 0.00 N ATOM 1281 CZ ARG A 88 -25.891 118.873 110.028 1.00 0.00 C ATOM 1282 NH1 ARG A 88 -27.188 118.948 109.911 1.00 0.00 N1+ ATOM 1283 NH2 ARG A 88 -25.155 118.613 108.981 1.00 0.00 N ATOM 0 H ARG A 88 -22.893 120.077 115.842 1.00 0.00 H new ATOM 0 HA ARG A 88 -21.964 118.247 114.892 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -21.643 120.155 112.541 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -21.480 118.412 112.448 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -23.841 118.201 113.387 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -23.987 119.945 113.305 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -23.391 119.788 110.813 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -23.500 118.045 110.959 1.00 0.00 H new ATOM 0 HE ARG A 88 -25.901 119.263 112.024 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -27.763 119.151 110.729 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -27.627 118.804 109.002 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -24.141 118.554 109.072 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -25.594 118.469 108.072 1.00 0.00 H new ATOM 1297 N LEU A 89 -19.644 119.685 115.793 1.00 0.00 N ATOM 1298 CA LEU A 89 -18.219 119.841 116.097 1.00 0.00 C ATOM 1299 C LEU A 89 -17.670 118.602 116.807 1.00 0.00 C ATOM 1300 O LEU A 89 -18.328 118.028 117.675 1.00 0.00 O ATOM 1301 CB LEU A 89 -18.062 121.070 116.996 1.00 0.00 C ATOM 1302 CG LEU A 89 -16.577 121.429 117.200 1.00 0.00 C ATOM 1303 CD1 LEU A 89 -15.944 121.919 115.872 1.00 0.00 C ATOM 1304 CD2 LEU A 89 -16.476 122.535 118.272 1.00 0.00 C ATOM 0 H LEU A 89 -20.264 119.946 116.560 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.658 119.966 115.171 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -18.585 121.917 116.552 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -18.528 120.878 117.962 1.00 0.00 H new ATOM 0 HG LEU A 89 -16.034 120.542 117.526 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.896 122.167 116.038 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -16.016 121.131 115.122 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -16.475 122.804 115.521 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.429 122.798 118.426 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -17.026 123.415 117.940 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -16.901 122.174 119.209 1.00 0.00 H new ATOM 1316 N ARG A 90 -16.459 118.197 116.424 1.00 0.00 N ATOM 1317 CA ARG A 90 -15.819 117.022 117.020 1.00 0.00 C ATOM 1318 C ARG A 90 -15.132 117.367 118.341 1.00 0.00 C ATOM 1319 O ARG A 90 -15.240 116.629 119.320 1.00 0.00 O ATOM 1320 CB ARG A 90 -14.788 116.451 116.043 1.00 0.00 C ATOM 1321 CG ARG A 90 -14.216 115.145 116.601 1.00 0.00 C ATOM 1322 CD ARG A 90 -13.242 114.542 115.589 1.00 0.00 C ATOM 1323 NE ARG A 90 -12.042 115.366 115.490 1.00 0.00 N ATOM 1324 CZ ARG A 90 -11.076 115.072 114.626 1.00 0.00 C ATOM 1325 NH1 ARG A 90 -10.011 115.824 114.556 1.00 0.00 N1+ ATOM 1326 NH2 ARG A 90 -11.191 114.031 113.847 1.00 0.00 N ATOM 0 H ARG A 90 -15.903 118.662 115.707 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.593 116.283 117.224 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.252 116.271 115.073 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.986 117.172 115.883 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.706 115.333 117.545 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.022 114.442 116.809 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.973 113.530 115.891 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.721 114.466 114.613 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.943 116.182 116.094 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.920 116.637 115.165 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.270 115.598 113.893 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.023 113.443 113.901 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.449 113.806 113.184 1.00 0.00 H new ATOM 1340 N ILE A 91 -14.407 118.483 118.353 1.00 0.00 N ATOM 1341 CA ILE A 91 -13.680 118.909 119.548 1.00 0.00 C ATOM 1342 C ILE A 91 -14.614 119.506 120.602 1.00 0.00 C ATOM 1343 O ILE A 91 -14.276 120.496 121.250 1.00 0.00 O ATOM 1344 CB ILE A 91 -12.596 119.925 119.162 1.00 0.00 C ATOM 1345 CG1 ILE A 91 -13.234 121.167 118.523 1.00 0.00 C ATOM 1346 CG2 ILE A 91 -11.634 119.282 118.161 1.00 0.00 C ATOM 1347 CD1 ILE A 91 -12.152 122.209 118.222 1.00 0.00 C ATOM 0 H ILE A 91 -14.307 119.107 117.552 1.00 0.00 H new ATOM 0 HA ILE A 91 -13.214 118.027 119.988 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.056 120.225 120.060 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.751 120.890 117.604 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.982 121.589 119.194 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -10.863 120.001 117.884 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.169 118.407 118.614 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.184 118.980 117.270 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -12.610 123.088 117.769 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.655 122.496 119.149 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.420 121.785 117.534 1.00 0.00 H new ATOM 1359 N VAL A 92 -15.783 118.899 120.779 1.00 0.00 N ATOM 1360 CA VAL A 92 -16.735 119.387 121.761 1.00 0.00 C ATOM 1361 C VAL A 92 -16.229 119.056 123.183 1.00 0.00 C ATOM 1362 O VAL A 92 -16.122 117.881 123.530 1.00 0.00 O ATOM 1363 CB VAL A 92 -18.106 118.730 121.530 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -17.988 117.192 121.558 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -19.078 119.199 122.619 1.00 0.00 C ATOM 0 H VAL A 92 -16.089 118.076 120.259 1.00 0.00 H new ATOM 0 HA VAL A 92 -16.836 120.467 121.657 1.00 0.00 H new ATOM 0 HB VAL A 92 -18.479 119.024 120.549 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -18.970 116.749 121.392 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.305 116.865 120.774 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -17.605 116.874 122.528 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -20.052 118.737 122.461 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -18.694 118.911 123.598 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -19.179 120.283 122.574 1.00 0.00 H new ATOM 1375 N PRO A 93 -15.896 120.031 124.016 1.00 0.00 N ATOM 1376 CA PRO A 93 -15.390 119.747 125.393 1.00 0.00 C ATOM 1377 C PRO A 93 -16.518 119.425 126.368 1.00 0.00 C ATOM 1378 O PRO A 93 -17.664 119.820 126.157 1.00 0.00 O ATOM 1379 CB PRO A 93 -14.685 121.052 125.777 1.00 0.00 C ATOM 1380 CG PRO A 93 -15.497 122.106 125.098 1.00 0.00 C ATOM 1381 CD PRO A 93 -15.953 121.492 123.769 1.00 0.00 C ATOM 0 HA PRO A 93 -14.740 118.873 125.426 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.667 121.194 126.857 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -13.650 121.063 125.437 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.352 122.395 125.709 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.907 123.007 124.930 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -16.960 121.814 123.504 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.299 121.785 122.948 1.00 0.00 H new ATOM 1389 N GLU A 94 -16.180 118.730 127.449 1.00 0.00 N ATOM 1390 CA GLU A 94 -17.176 118.399 128.456 1.00 0.00 C ATOM 1391 C GLU A 94 -17.656 119.684 129.121 1.00 0.00 C ATOM 1392 O GLU A 94 -16.856 120.573 129.409 1.00 0.00 O ATOM 1393 CB GLU A 94 -16.574 117.467 129.510 1.00 0.00 C ATOM 1394 CG GLU A 94 -16.149 116.155 128.848 1.00 0.00 C ATOM 1395 CD GLU A 94 -15.618 115.189 129.901 1.00 0.00 C ATOM 1396 OE1 GLU A 94 -15.445 115.613 131.032 1.00 0.00 O ATOM 1397 OE2 GLU A 94 -15.391 114.038 129.562 1.00 0.00 O1- ATOM 0 H GLU A 94 -15.239 118.390 127.647 1.00 0.00 H new ATOM 0 HA GLU A 94 -18.015 117.892 127.980 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -15.715 117.943 129.983 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -17.303 117.271 130.296 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -16.997 115.709 128.328 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -15.381 116.348 128.099 1.00 0.00 H new ATOM 1404 N LEU A 95 -18.966 119.791 129.354 1.00 0.00 N ATOM 1405 CA LEU A 95 -19.542 120.993 129.977 1.00 0.00 C ATOM 1406 C LEU A 95 -19.685 120.805 131.484 1.00 0.00 C ATOM 1407 O LEU A 95 -20.293 119.841 131.950 1.00 0.00 O ATOM 1408 CB LEU A 95 -20.935 121.290 129.378 1.00 0.00 C ATOM 1409 CG LEU A 95 -20.853 121.844 127.931 1.00 0.00 C ATOM 1410 CD1 LEU A 95 -20.556 123.351 127.944 1.00 0.00 C ATOM 1411 CD2 LEU A 95 -19.769 121.129 127.115 1.00 0.00 C ATOM 0 H LEU A 95 -19.647 119.067 129.124 1.00 0.00 H new ATOM 0 HA LEU A 95 -18.869 121.827 129.780 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -21.530 120.377 129.381 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -21.453 122.011 130.011 1.00 0.00 H new ATOM 0 HG LEU A 95 -21.821 121.664 127.464 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -20.502 123.720 126.920 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -21.350 123.874 128.477 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -19.604 123.530 128.444 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -19.740 121.543 126.107 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -18.800 121.271 127.594 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -19.995 120.064 127.064 1.00 0.00 H new ATOM 1423 N THR A 96 -19.149 121.768 132.239 1.00 0.00 N ATOM 1424 CA THR A 96 -19.236 121.767 133.710 1.00 0.00 C ATOM 1425 C THR A 96 -20.061 122.985 134.132 1.00 0.00 C ATOM 1426 O THR A 96 -19.703 124.115 133.820 1.00 0.00 O ATOM 1427 CB THR A 96 -17.808 121.810 134.303 1.00 0.00 C ATOM 1428 OG1 THR A 96 -17.268 120.496 134.299 1.00 0.00 O ATOM 1429 CG2 THR A 96 -17.808 122.352 135.741 1.00 0.00 C ATOM 0 H THR A 96 -18.645 122.567 131.855 1.00 0.00 H new ATOM 0 HA THR A 96 -19.721 120.864 134.081 1.00 0.00 H new ATOM 0 HB THR A 96 -17.203 122.479 133.691 1.00 0.00 H new ATOM 0 HG1 THR A 96 -16.362 120.514 134.672 1.00 0.00 H new ATOM 0 HG21 THR A 96 -16.788 122.367 136.124 1.00 0.00 H new ATOM 0 HG22 THR A 96 -18.214 123.364 135.749 1.00 0.00 H new ATOM 0 HG23 THR A 96 -18.423 121.710 136.372 1.00 0.00 H new ATOM 1437 N PHE A 97 -21.173 122.743 134.835 1.00 0.00 N ATOM 1438 CA PHE A 97 -22.064 123.828 135.276 1.00 0.00 C ATOM 1439 C PHE A 97 -21.810 124.211 136.727 1.00 0.00 C ATOM 1440 O PHE A 97 -21.740 123.356 137.609 1.00 0.00 O ATOM 1441 CB PHE A 97 -23.519 123.376 135.133 1.00 0.00 C ATOM 1442 CG PHE A 97 -23.824 123.103 133.679 1.00 0.00 C ATOM 1443 CD1 PHE A 97 -23.621 121.822 133.150 1.00 0.00 C ATOM 1444 CD2 PHE A 97 -24.312 124.129 132.860 1.00 0.00 C ATOM 1445 CE1 PHE A 97 -23.905 121.568 131.803 1.00 0.00 C ATOM 1446 CE2 PHE A 97 -24.596 123.873 131.513 1.00 0.00 C ATOM 1447 CZ PHE A 97 -24.392 122.593 130.985 1.00 0.00 C ATOM 0 H PHE A 97 -21.479 121.810 135.111 1.00 0.00 H new ATOM 0 HA PHE A 97 -21.865 124.699 134.651 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -23.691 122.478 135.726 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -24.189 124.145 135.517 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -23.245 121.030 133.781 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -24.469 125.117 133.267 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -23.748 120.580 131.395 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -24.973 124.664 130.881 1.00 0.00 H new ATOM 0 HZ PHE A 97 -24.611 122.397 129.946 1.00 0.00 H new ATOM 1457 N PHE A 98 -21.689 125.524 136.964 1.00 0.00 N ATOM 1458 CA PHE A 98 -21.461 126.069 138.311 1.00 0.00 C ATOM 1459 C PHE A 98 -22.613 126.989 138.696 1.00 0.00 C ATOM 1460 O PHE A 98 -23.097 127.771 137.878 1.00 0.00 O ATOM 1461 CB PHE A 98 -20.159 126.870 138.342 1.00 0.00 C ATOM 1462 CG PHE A 98 -19.837 127.237 139.772 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -19.056 126.378 140.554 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -20.326 128.431 140.317 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -18.762 126.713 141.881 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -20.030 128.766 141.644 1.00 0.00 C ATOM 1467 CZ PHE A 98 -19.248 127.907 142.425 1.00 0.00 C ATOM 0 H PHE A 98 -21.746 126.234 136.234 1.00 0.00 H new ATOM 0 HA PHE A 98 -21.396 125.240 139.015 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -19.347 126.284 137.912 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -20.257 127.771 137.736 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -18.680 125.457 140.134 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -20.931 129.093 139.714 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -18.160 126.050 142.485 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -20.405 129.687 142.065 1.00 0.00 H new ATOM 0 HZ PHE A 98 -19.020 128.166 143.448 1.00 0.00 H new ATOM 1477 N TYR A 99 -23.049 126.891 139.954 1.00 0.00 N ATOM 1478 CA TYR A 99 -24.151 127.718 140.470 1.00 0.00 C ATOM 1479 C TYR A 99 -23.586 128.855 141.325 1.00 0.00 C ATOM 1480 O TYR A 99 -22.976 128.617 142.367 1.00 0.00 O ATOM 1481 CB TYR A 99 -25.095 126.832 141.314 1.00 0.00 C ATOM 1482 CG TYR A 99 -24.288 125.775 142.038 1.00 0.00 C ATOM 1483 CD1 TYR A 99 -24.058 124.536 141.426 1.00 0.00 C ATOM 1484 CD2 TYR A 99 -23.762 126.033 143.310 1.00 0.00 C ATOM 1485 CE1 TYR A 99 -23.307 123.557 142.087 1.00 0.00 C ATOM 1486 CE2 TYR A 99 -23.012 125.053 143.970 1.00 0.00 C ATOM 1487 CZ TYR A 99 -22.785 123.815 143.359 1.00 0.00 C ATOM 1488 OH TYR A 99 -22.045 122.849 144.010 1.00 0.00 O ATOM 0 H TYR A 99 -22.656 126.246 140.639 1.00 0.00 H new ATOM 0 HA TYR A 99 -24.710 128.150 139.640 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -25.639 127.445 142.033 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -25.838 126.360 140.671 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -24.460 124.336 140.444 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -23.935 126.989 143.782 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -23.130 122.602 141.615 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -22.608 125.252 144.952 1.00 0.00 H new ATOM 0 HH TYR A 99 -21.757 123.190 144.882 1.00 0.00 H new ATOM 1498 N ASP A 100 -23.792 130.096 140.870 1.00 0.00 N ATOM 1499 CA ASP A 100 -23.299 131.281 141.588 1.00 0.00 C ATOM 1500 C ASP A 100 -24.377 131.866 142.497 1.00 0.00 C ATOM 1501 O ASP A 100 -25.511 132.083 142.070 1.00 0.00 O ATOM 1502 CB ASP A 100 -22.857 132.343 140.582 1.00 0.00 C ATOM 1503 CG ASP A 100 -22.219 133.519 141.312 1.00 0.00 C ATOM 1504 OD1 ASP A 100 -22.943 134.437 141.663 1.00 0.00 O ATOM 1505 OD2 ASP A 100 -21.015 133.487 141.510 1.00 0.00 O1- ATOM 0 H ASP A 100 -24.296 130.308 140.009 1.00 0.00 H new ATOM 0 HA ASP A 100 -22.455 130.975 142.206 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -22.146 131.914 139.876 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -23.714 132.686 140.002 1.00 0.00 H new TER 1510 ASP A 100