USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 707 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 83 ASN : amide:sc= -0.151 K(o=-0.31,f=-1.7) USER MOD Set 1.2: A 85 HIS : no HE2:sc= -0.163 X(o=-0.31,f=-0.15) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= -0.356 USER MOD Set 2.2: A 60 GLN : amide:sc= 0.756 X(o=-0.73,f=-0.68) USER MOD Set 2.3: A 61 GLN : amide:sc= 0.126 X(o=-0.73,f=-1.2) USER MOD Set 2.4: A 64 GLN : amide:sc= -1.25 K(o=-0.73,f=0.74) USER MOD Set 2.5: A 68 GLN : amide:sc= 0 K(o=-0.73,f=0.15) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.06 (180deg=0.65) USER MOD Single : A 3 HIS : no HD1:sc= -0.498 K(o=-0.5,f=0.12) USER MOD Single : A 4 HIS : no HD1:sc=-0.00573 X(o=-0.0057,f=-0.0057) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.632 X(o=-0.63,f=-0.69) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 8 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.00045) USER MOD Single : A 9 MET CE :methyl 159:sc= -0.186 (180deg=-0.833) USER MOD Single : A 11 THR OG1 : rot 44:sc= 0.215 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 16 THR OG1 : rot 36:sc= 0.353 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 42:sc= 0.457 USER MOD Single : A 32 ASN : amide:sc= 0.27 X(o=0.27,f=-0.051) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.0153 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0803 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00854 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -166:sc= -4.72! USER MOD Single : A 71 THR OG1 : rot -160:sc= -1.29! USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -99:sc= 1.12 USER MOD Single : A 81 HIS : no HD1:sc= -0.0563 X(o=-0.056,f=-0.056) USER MOD Single : A 84 GLN : amide:sc= -0.961 K(o=-0.96,f=-6.7!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -43.233 -40.813 -4.112 1.00 73.22 N ATOM 2 CA MET A 1 -43.928 -41.792 -3.244 1.00 15.13 C ATOM 3 C MET A 1 -42.967 -42.893 -2.803 1.00 45.32 C ATOM 4 O MET A 1 -42.574 -43.741 -3.608 1.00 32.32 O ATOM 5 CB MET A 1 -45.137 -42.403 -3.972 1.00 22.50 C ATOM 6 CG MET A 1 -46.306 -41.441 -4.150 1.00 70.23 C ATOM 7 SD MET A 1 -45.882 -40.008 -5.160 1.00 24.24 S ATOM 8 CE MET A 1 -47.400 -39.059 -5.057 1.00 64.32 C ATOM 0 H1 MET A 1 -43.918 -40.379 -4.763 1.00 73.22 H new ATOM 0 H2 MET A 1 -42.799 -40.074 -3.523 1.00 73.22 H new ATOM 0 H3 MET A 1 -42.494 -41.298 -4.660 1.00 73.22 H new ATOM 0 HA MET A 1 -44.287 -41.266 -2.359 1.00 15.13 H new ATOM 0 HB2 MET A 1 -44.817 -42.755 -4.953 1.00 22.50 H new ATOM 0 HB3 MET A 1 -45.480 -43.276 -3.416 1.00 22.50 H new ATOM 0 HG2 MET A 1 -47.140 -41.971 -4.610 1.00 70.23 H new ATOM 0 HG3 MET A 1 -46.645 -41.103 -3.171 1.00 70.23 H new ATOM 0 HE1 MET A 1 -47.294 -38.140 -5.633 1.00 64.32 H new ATOM 0 HE2 MET A 1 -48.225 -39.647 -5.460 1.00 64.32 H new ATOM 0 HE3 MET A 1 -47.605 -38.812 -4.015 1.00 64.32 H new ATOM 20 N ALA A 2 -42.578 -42.858 -1.526 1.00 54.21 N ATOM 21 CA ALA A 2 -41.706 -43.877 -0.934 1.00 14.23 C ATOM 22 C ALA A 2 -40.369 -43.975 -1.671 1.00 44.12 C ATOM 23 O ALA A 2 -39.824 -45.067 -1.856 1.00 53.24 O ATOM 24 CB ALA A 2 -42.417 -45.228 -0.913 1.00 73.44 C ATOM 0 H ALA A 2 -42.857 -42.125 -0.874 1.00 54.21 H new ATOM 0 HA ALA A 2 -41.487 -43.579 0.091 1.00 14.23 H new ATOM 0 HB1 ALA A 2 -41.761 -45.978 -0.471 1.00 73.44 H new ATOM 0 HB2 ALA A 2 -43.329 -45.150 -0.321 1.00 73.44 H new ATOM 0 HB3 ALA A 2 -42.670 -45.522 -1.932 1.00 73.44 H new ATOM 30 N HIS A 3 -39.837 -42.827 -2.085 1.00 41.44 N ATOM 31 CA HIS A 3 -38.539 -42.775 -2.755 1.00 1.43 C ATOM 32 C HIS A 3 -37.664 -41.677 -2.164 1.00 4.31 C ATOM 33 O HIS A 3 -38.084 -40.523 -2.038 1.00 2.31 O ATOM 34 CB HIS A 3 -38.704 -42.556 -4.266 1.00 5.12 C ATOM 35 CG HIS A 3 -38.935 -43.818 -5.040 1.00 63.14 C ATOM 36 ND1 HIS A 3 -37.908 -44.557 -5.585 1.00 24.54 N ATOM 37 CD2 HIS A 3 -40.076 -44.471 -5.363 1.00 72.24 C ATOM 38 CE1 HIS A 3 -38.404 -45.606 -6.208 1.00 45.21 C ATOM 39 NE2 HIS A 3 -39.718 -45.580 -6.089 1.00 10.03 N ATOM 0 H HIS A 3 -40.286 -41.918 -1.968 1.00 41.44 H new ATOM 0 HA HIS A 3 -38.050 -43.736 -2.595 1.00 1.43 H new ATOM 0 HB2 HIS A 3 -39.541 -41.879 -4.436 1.00 5.12 H new ATOM 0 HB3 HIS A 3 -37.812 -42.063 -4.651 1.00 5.12 H new ATOM 0 HD2 HIS A 3 -41.080 -44.175 -5.099 1.00 72.24 H new ATOM 0 HE1 HIS A 3 -37.832 -46.360 -6.728 1.00 45.21 H new ATOM 0 HE2 HIS A 3 -40.362 -46.271 -6.474 1.00 10.03 H new ATOM 48 N HIS A 4 -36.451 -42.061 -1.786 1.00 40.34 N ATOM 49 CA HIS A 4 -35.443 -41.135 -1.281 1.00 51.01 C ATOM 50 C HIS A 4 -34.085 -41.542 -1.840 1.00 53.23 C ATOM 51 O HIS A 4 -33.595 -42.636 -1.551 1.00 0.34 O ATOM 52 CB HIS A 4 -35.404 -41.148 0.255 1.00 50.20 C ATOM 53 CG HIS A 4 -36.669 -40.675 0.901 1.00 33.32 C ATOM 54 ND1 HIS A 4 -37.659 -41.528 1.336 1.00 30.31 N ATOM 55 CD2 HIS A 4 -37.101 -39.425 1.187 1.00 2.31 C ATOM 56 CE1 HIS A 4 -38.644 -40.823 1.859 1.00 13.25 C ATOM 57 NE2 HIS A 4 -38.329 -39.544 1.785 1.00 22.43 N ATOM 0 H HIS A 4 -36.136 -43.031 -1.821 1.00 40.34 H new ATOM 0 HA HIS A 4 -35.694 -40.123 -1.600 1.00 51.01 H new ATOM 0 HB2 HIS A 4 -35.192 -42.162 0.594 1.00 50.20 H new ATOM 0 HB3 HIS A 4 -34.579 -40.520 0.592 1.00 50.20 H new ATOM 0 HD2 HIS A 4 -36.576 -38.504 0.982 1.00 2.31 H new ATOM 0 HE1 HIS A 4 -39.555 -41.225 2.277 1.00 13.25 H new ATOM 0 HE2 HIS A 4 -38.905 -38.771 2.118 1.00 22.43 H new ATOM 66 N HIS A 5 -33.489 -40.680 -2.662 1.00 52.40 N ATOM 67 CA HIS A 5 -32.213 -40.994 -3.299 1.00 51.23 C ATOM 68 C HIS A 5 -31.056 -40.652 -2.366 1.00 25.42 C ATOM 69 O HIS A 5 -30.608 -41.494 -1.592 1.00 52.12 O ATOM 70 CB HIS A 5 -32.072 -40.256 -4.641 1.00 11.32 C ATOM 71 CG HIS A 5 -33.103 -40.649 -5.657 1.00 24.41 C ATOM 72 ND1 HIS A 5 -33.841 -39.736 -6.380 1.00 1.43 N ATOM 73 CD2 HIS A 5 -33.506 -41.871 -6.082 1.00 64.02 C ATOM 74 CE1 HIS A 5 -34.653 -40.377 -7.201 1.00 33.02 C ATOM 75 NE2 HIS A 5 -34.467 -41.673 -7.039 1.00 22.00 N ATOM 0 H HIS A 5 -33.867 -39.764 -2.901 1.00 52.40 H new ATOM 0 HA HIS A 5 -32.186 -42.064 -3.503 1.00 51.23 H new ATOM 0 HB2 HIS A 5 -32.140 -39.183 -4.464 1.00 11.32 H new ATOM 0 HB3 HIS A 5 -31.080 -40.450 -5.049 1.00 11.32 H new ATOM 0 HD2 HIS A 5 -33.138 -42.824 -5.732 1.00 64.02 H new ATOM 0 HE1 HIS A 5 -35.350 -39.919 -7.887 1.00 33.02 H new ATOM 0 HE2 HIS A 5 -34.959 -42.409 -7.545 1.00 22.00 H new ATOM 84 N HIS A 6 -30.589 -39.411 -2.427 1.00 34.21 N ATOM 85 CA HIS A 6 -29.485 -38.955 -1.587 1.00 74.21 C ATOM 86 C HIS A 6 -29.592 -37.447 -1.385 1.00 71.31 C ATOM 87 O HIS A 6 -30.562 -36.821 -1.825 1.00 5.52 O ATOM 88 CB HIS A 6 -28.121 -39.280 -2.232 1.00 64.32 C ATOM 89 CG HIS A 6 -27.888 -40.732 -2.520 1.00 13.35 C ATOM 90 ND1 HIS A 6 -28.114 -41.293 -3.758 1.00 0.10 N ATOM 91 CD2 HIS A 6 -27.441 -41.738 -1.730 1.00 40.24 C ATOM 92 CE1 HIS A 6 -27.821 -42.578 -3.716 1.00 55.12 C ATOM 93 NE2 HIS A 6 -27.410 -42.876 -2.499 1.00 52.24 N ATOM 0 H HIS A 6 -30.960 -38.697 -3.054 1.00 34.21 H new ATOM 0 HA HIS A 6 -29.549 -39.473 -0.630 1.00 74.21 H new ATOM 0 HB2 HIS A 6 -28.034 -38.721 -3.164 1.00 64.32 H new ATOM 0 HB3 HIS A 6 -27.330 -38.924 -1.572 1.00 64.32 H new ATOM 0 HD2 HIS A 6 -27.161 -41.660 -0.690 1.00 40.24 H new ATOM 0 HE1 HIS A 6 -27.904 -43.271 -4.541 1.00 55.12 H new ATOM 0 HE2 HIS A 6 -27.117 -43.800 -2.181 1.00 52.24 H new ATOM 102 N HIS A 7 -28.598 -36.879 -0.711 1.00 31.13 N ATOM 103 CA HIS A 7 -28.453 -35.430 -0.583 1.00 13.43 C ATOM 104 C HIS A 7 -26.974 -35.072 -0.709 1.00 13.23 C ATOM 105 O HIS A 7 -26.298 -34.808 0.287 1.00 24.42 O ATOM 106 CB HIS A 7 -29.015 -34.918 0.759 1.00 45.10 C ATOM 107 CG HIS A 7 -30.503 -35.057 0.899 1.00 22.34 C ATOM 108 ND1 HIS A 7 -31.101 -35.784 1.907 1.00 12.53 N ATOM 109 CD2 HIS A 7 -31.519 -34.545 0.160 1.00 21.41 C ATOM 110 CE1 HIS A 7 -32.412 -35.715 1.782 1.00 22.12 C ATOM 111 NE2 HIS A 7 -32.692 -34.970 0.731 1.00 52.52 N ATOM 0 H HIS A 7 -27.868 -37.410 -0.236 1.00 31.13 H new ATOM 0 HA HIS A 7 -29.025 -34.949 -1.376 1.00 13.43 H new ATOM 0 HB2 HIS A 7 -28.533 -35.461 1.572 1.00 45.10 H new ATOM 0 HB3 HIS A 7 -28.748 -33.868 0.874 1.00 45.10 H new ATOM 0 HD2 HIS A 7 -31.422 -33.919 -0.715 1.00 21.41 H new ATOM 0 HE1 HIS A 7 -33.134 -36.189 2.431 1.00 22.12 H new ATOM 0 HE2 HIS A 7 -33.629 -34.746 0.396 1.00 52.52 H new ATOM 120 N HIS A 8 -26.464 -35.112 -1.938 1.00 52.21 N ATOM 121 CA HIS A 8 -25.043 -34.889 -2.191 1.00 10.20 C ATOM 122 C HIS A 8 -24.805 -33.477 -2.709 1.00 44.12 C ATOM 123 O HIS A 8 -25.695 -32.869 -3.308 1.00 2.14 O ATOM 124 CB HIS A 8 -24.495 -35.924 -3.192 1.00 2.10 C ATOM 125 CG HIS A 8 -25.005 -35.767 -4.600 1.00 65.54 C ATOM 126 ND1 HIS A 8 -25.993 -36.560 -5.143 1.00 13.43 N ATOM 127 CD2 HIS A 8 -24.637 -34.913 -5.585 1.00 64.25 C ATOM 128 CE1 HIS A 8 -26.207 -36.200 -6.394 1.00 71.44 C ATOM 129 NE2 HIS A 8 -25.397 -35.202 -6.687 1.00 64.15 N ATOM 0 H HIS A 8 -27.015 -35.297 -2.776 1.00 52.21 H new ATOM 0 HA HIS A 8 -24.510 -35.008 -1.247 1.00 10.20 H new ATOM 0 HB2 HIS A 8 -23.407 -35.857 -3.204 1.00 2.10 H new ATOM 0 HB3 HIS A 8 -24.749 -36.923 -2.837 1.00 2.10 H new ATOM 0 HD2 HIS A 8 -23.882 -34.144 -5.514 1.00 64.25 H new ATOM 0 HE1 HIS A 8 -26.925 -36.648 -7.065 1.00 71.44 H new ATOM 0 HE2 HIS A 8 -25.345 -34.724 -7.586 1.00 64.15 H new ATOM 138 N MET A 9 -23.603 -32.974 -2.479 1.00 12.25 N ATOM 139 CA MET A 9 -23.212 -31.649 -2.935 1.00 2.23 C ATOM 140 C MET A 9 -21.709 -31.615 -3.190 1.00 52.43 C ATOM 141 O MET A 9 -20.951 -32.351 -2.550 1.00 54.21 O ATOM 142 CB MET A 9 -23.602 -30.579 -1.901 1.00 51.52 C ATOM 143 CG MET A 9 -22.949 -30.764 -0.533 1.00 71.54 C ATOM 144 SD MET A 9 -23.479 -29.519 0.664 1.00 31.53 S ATOM 145 CE MET A 9 -25.246 -29.814 0.704 1.00 44.51 C ATOM 0 H MET A 9 -22.871 -33.472 -1.972 1.00 12.25 H new ATOM 0 HA MET A 9 -23.738 -31.430 -3.864 1.00 2.23 H new ATOM 0 HB2 MET A 9 -23.332 -29.598 -2.291 1.00 51.52 H new ATOM 0 HB3 MET A 9 -24.685 -30.586 -1.778 1.00 51.52 H new ATOM 0 HG2 MET A 9 -23.190 -31.756 -0.151 1.00 71.54 H new ATOM 0 HG3 MET A 9 -21.865 -30.719 -0.643 1.00 71.54 H new ATOM 0 HE1 MET A 9 -25.661 -29.412 1.628 1.00 44.51 H new ATOM 0 HE2 MET A 9 -25.716 -29.323 -0.148 1.00 44.51 H new ATOM 0 HE3 MET A 9 -25.437 -30.886 0.656 1.00 44.51 H new ATOM 155 N GLY A 10 -21.291 -30.773 -4.131 1.00 33.52 N ATOM 156 CA GLY A 10 -19.885 -30.664 -4.479 1.00 73.32 C ATOM 157 C GLY A 10 -19.020 -30.263 -3.297 1.00 21.22 C ATOM 158 O GLY A 10 -19.170 -29.164 -2.756 1.00 31.32 O ATOM 0 H GLY A 10 -21.908 -30.159 -4.663 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -19.537 -31.619 -4.872 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -19.768 -29.930 -5.276 1.00 73.32 H new ATOM 162 N THR A 11 -18.126 -31.160 -2.895 1.00 23.20 N ATOM 163 CA THR A 11 -17.194 -30.901 -1.805 1.00 64.11 C ATOM 164 C THR A 11 -16.341 -29.669 -2.109 1.00 2.14 C ATOM 165 O THR A 11 -15.511 -29.686 -3.023 1.00 24.42 O ATOM 166 CB THR A 11 -16.286 -32.128 -1.563 1.00 61.21 C ATOM 167 OG1 THR A 11 -15.747 -32.582 -2.815 1.00 21.55 O ATOM 168 CG2 THR A 11 -17.058 -33.264 -0.895 1.00 2.40 C ATOM 0 H THR A 11 -18.028 -32.084 -3.315 1.00 23.20 H new ATOM 0 HA THR A 11 -17.773 -30.711 -0.901 1.00 64.11 H new ATOM 0 HB THR A 11 -15.477 -31.828 -0.897 1.00 61.21 H new ATOM 0 HG1 THR A 11 -15.441 -31.812 -3.338 1.00 21.55 H new ATOM 0 HG21 THR A 11 -16.393 -34.113 -0.738 1.00 2.40 H new ATOM 0 HG22 THR A 11 -17.446 -32.925 0.065 1.00 2.40 H new ATOM 0 HG23 THR A 11 -17.887 -33.566 -1.535 1.00 2.40 H new ATOM 176 N LEU A 12 -16.565 -28.604 -1.345 1.00 10.11 N ATOM 177 CA LEU A 12 -15.902 -27.323 -1.574 1.00 62.34 C ATOM 178 C LEU A 12 -14.409 -27.402 -1.259 1.00 50.51 C ATOM 179 O LEU A 12 -13.593 -26.734 -1.896 1.00 4.12 O ATOM 180 CB LEU A 12 -16.560 -26.238 -0.712 1.00 73.43 C ATOM 181 CG LEU A 12 -18.068 -26.040 -0.949 1.00 43.20 C ATOM 182 CD1 LEU A 12 -18.650 -25.047 0.054 1.00 34.05 C ATOM 183 CD2 LEU A 12 -18.335 -25.579 -2.386 1.00 2.42 C ATOM 0 H LEU A 12 -17.208 -28.603 -0.553 1.00 10.11 H new ATOM 0 HA LEU A 12 -16.009 -27.070 -2.629 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -16.403 -26.485 0.338 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -16.052 -25.292 -0.897 1.00 73.43 H new ATOM 0 HG LEU A 12 -18.563 -27.000 -0.801 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -19.717 -24.923 -0.133 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -18.501 -25.422 1.066 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -18.149 -24.085 -0.054 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -19.407 -25.445 -2.532 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -17.823 -24.633 -2.566 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -17.965 -26.330 -3.084 1.00 2.42 H new ATOM 195 N GLU A 13 -14.061 -28.222 -0.277 1.00 11.24 N ATOM 196 CA GLU A 13 -12.674 -28.359 0.163 1.00 2.42 C ATOM 197 C GLU A 13 -12.016 -29.592 -0.456 1.00 25.54 C ATOM 198 O GLU A 13 -11.982 -30.667 0.148 1.00 43.43 O ATOM 199 CB GLU A 13 -12.581 -28.387 1.706 1.00 52.23 C ATOM 200 CG GLU A 13 -13.848 -28.862 2.423 1.00 2.02 C ATOM 201 CD GLU A 13 -14.273 -30.274 2.048 1.00 23.10 C ATOM 202 OE1 GLU A 13 -13.706 -31.237 2.600 1.00 20.54 O ATOM 203 OE2 GLU A 13 -15.195 -30.424 1.216 1.00 31.04 O ATOM 0 H GLU A 13 -14.722 -28.807 0.234 1.00 11.24 H new ATOM 0 HA GLU A 13 -12.126 -27.484 -0.186 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -11.754 -29.037 1.993 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -12.336 -27.385 2.058 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -13.684 -28.816 3.500 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -14.663 -28.175 2.195 1.00 2.02 H new ATOM 210 N ALA A 14 -11.523 -29.439 -1.682 1.00 34.40 N ATOM 211 CA ALA A 14 -10.771 -30.499 -2.345 1.00 21.23 C ATOM 212 C ALA A 14 -9.503 -30.790 -1.547 1.00 55.24 C ATOM 213 O ALA A 14 -8.601 -29.948 -1.490 1.00 61.00 O ATOM 214 CB ALA A 14 -10.436 -30.105 -3.782 1.00 34.11 C ATOM 0 H ALA A 14 -11.631 -28.590 -2.237 1.00 34.40 H new ATOM 0 HA ALA A 14 -11.380 -31.402 -2.386 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -9.875 -30.909 -4.258 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -11.358 -29.929 -4.335 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -9.835 -29.196 -3.779 1.00 34.11 H new ATOM 220 N GLN A 15 -9.459 -31.972 -0.925 1.00 62.31 N ATOM 221 CA GLN A 15 -8.409 -32.329 0.033 1.00 61.21 C ATOM 222 C GLN A 15 -8.503 -31.425 1.263 1.00 41.33 C ATOM 223 O GLN A 15 -7.989 -30.300 1.271 1.00 55.20 O ATOM 224 CB GLN A 15 -7.008 -32.250 -0.599 1.00 32.53 C ATOM 225 CG GLN A 15 -6.778 -33.272 -1.707 1.00 2.10 C ATOM 226 CD GLN A 15 -5.412 -33.138 -2.357 1.00 32.43 C ATOM 227 OE1 GLN A 15 -4.444 -32.715 -1.723 1.00 73.03 O ATOM 228 NE2 GLN A 15 -5.323 -33.505 -3.625 1.00 54.22 N ATOM 0 H GLN A 15 -10.150 -32.708 -1.072 1.00 62.31 H new ATOM 0 HA GLN A 15 -8.564 -33.364 0.337 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -6.857 -31.249 -1.003 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -6.259 -32.396 0.179 1.00 32.53 H new ATOM 0 HG2 GLN A 15 -6.883 -34.276 -1.296 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -7.550 -33.156 -2.468 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -6.148 -33.850 -4.115 1.00 54.22 H new ATOM 0 HE22 GLN A 15 -4.429 -33.443 -4.112 1.00 54.22 H new ATOM 237 N THR A 16 -9.179 -31.916 2.293 1.00 54.24 N ATOM 238 CA THR A 16 -9.436 -31.133 3.491 1.00 21.43 C ATOM 239 C THR A 16 -8.238 -31.200 4.450 1.00 75.24 C ATOM 240 O THR A 16 -8.114 -32.110 5.276 1.00 55.04 O ATOM 241 CB THR A 16 -10.748 -31.592 4.189 1.00 2.14 C ATOM 242 OG1 THR A 16 -10.986 -30.828 5.380 1.00 30.03 O ATOM 243 CG2 THR A 16 -10.723 -33.083 4.525 1.00 42.53 C ATOM 0 H THR A 16 -9.562 -32.861 2.321 1.00 54.24 H new ATOM 0 HA THR A 16 -9.570 -30.092 3.195 1.00 21.43 H new ATOM 0 HB THR A 16 -11.561 -31.419 3.484 1.00 2.14 H new ATOM 0 HG1 THR A 16 -10.686 -29.905 5.242 1.00 30.03 H new ATOM 0 HG21 THR A 16 -11.658 -33.362 5.011 1.00 42.53 H new ATOM 0 HG22 THR A 16 -10.604 -33.661 3.608 1.00 42.53 H new ATOM 0 HG23 THR A 16 -9.889 -33.291 5.195 1.00 42.53 H new ATOM 251 N GLN A 17 -7.328 -30.242 4.293 1.00 13.34 N ATOM 252 CA GLN A 17 -6.131 -30.156 5.127 1.00 34.33 C ATOM 253 C GLN A 17 -5.791 -28.697 5.422 1.00 53.31 C ATOM 254 O GLN A 17 -4.663 -28.373 5.811 1.00 40.31 O ATOM 255 CB GLN A 17 -4.946 -30.856 4.440 1.00 1.43 C ATOM 256 CG GLN A 17 -4.579 -30.279 3.072 1.00 44.23 C ATOM 257 CD GLN A 17 -3.350 -30.937 2.466 1.00 62.21 C ATOM 258 OE1 GLN A 17 -3.062 -32.107 2.723 1.00 74.11 O ATOM 259 NE2 GLN A 17 -2.614 -30.188 1.660 1.00 32.34 N ATOM 0 H GLN A 17 -7.398 -29.507 3.589 1.00 13.34 H new ATOM 0 HA GLN A 17 -6.330 -30.662 6.072 1.00 34.33 H new ATOM 0 HB2 GLN A 17 -4.075 -30.794 5.093 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -5.182 -31.914 4.323 1.00 1.43 H new ATOM 0 HG2 GLN A 17 -5.423 -30.401 2.393 1.00 44.23 H new ATOM 0 HG3 GLN A 17 -4.401 -29.208 3.170 1.00 44.23 H new ATOM 0 HE21 GLN A 17 -2.885 -29.223 1.471 1.00 32.34 H new ATOM 0 HE22 GLN A 17 -1.776 -30.576 1.227 1.00 32.34 H new ATOM 268 N GLY A 18 -6.773 -27.822 5.237 1.00 74.42 N ATOM 269 CA GLY A 18 -6.583 -26.416 5.530 1.00 12.00 C ATOM 270 C GLY A 18 -6.597 -26.157 7.026 1.00 35.14 C ATOM 271 O GLY A 18 -7.063 -27.005 7.786 1.00 43.04 O ATOM 0 H GLY A 18 -7.700 -28.064 4.888 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -5.635 -26.080 5.109 1.00 12.00 H new ATOM 0 HA3 GLY A 18 -7.369 -25.833 5.051 1.00 12.00 H new ATOM 275 N PRO A 19 -6.079 -25.000 7.481 1.00 2.43 N ATOM 276 CA PRO A 19 -6.065 -24.640 8.906 1.00 73.41 C ATOM 277 C PRO A 19 -7.417 -24.878 9.584 1.00 73.01 C ATOM 278 O PRO A 19 -8.414 -24.215 9.274 1.00 12.24 O ATOM 279 CB PRO A 19 -5.708 -23.149 8.886 1.00 61.45 C ATOM 280 CG PRO A 19 -4.875 -22.994 7.660 1.00 2.54 C ATOM 281 CD PRO A 19 -5.452 -23.954 6.646 1.00 51.13 C ATOM 0 HA PRO A 19 -5.364 -25.247 9.479 1.00 73.41 H new ATOM 0 HB2 PRO A 19 -6.601 -22.525 8.843 1.00 61.45 H new ATOM 0 HB3 PRO A 19 -5.159 -22.858 9.781 1.00 61.45 H new ATOM 0 HG2 PRO A 19 -4.909 -21.969 7.291 1.00 2.54 H new ATOM 0 HG3 PRO A 19 -3.830 -23.224 7.866 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -6.181 -23.465 6.000 1.00 51.13 H new ATOM 0 HD3 PRO A 19 -4.679 -24.367 5.998 1.00 51.13 H new ATOM 289 N GLY A 20 -7.445 -25.853 10.485 1.00 44.34 N ATOM 290 CA GLY A 20 -8.654 -26.177 11.214 1.00 15.12 C ATOM 291 C GLY A 20 -8.346 -26.692 12.601 1.00 30.50 C ATOM 292 O GLY A 20 -7.254 -27.209 12.842 1.00 30.22 O ATOM 0 H GLY A 20 -6.640 -26.431 10.725 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -9.285 -25.291 11.286 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -9.221 -26.928 10.664 1.00 15.12 H new ATOM 296 N SER A 21 -9.294 -26.536 13.517 1.00 5.35 N ATOM 297 CA SER A 21 -9.120 -26.983 14.895 1.00 13.22 C ATOM 298 C SER A 21 -10.476 -27.239 15.547 1.00 35.21 C ATOM 299 O SER A 21 -11.449 -26.535 15.266 1.00 61.22 O ATOM 300 CB SER A 21 -8.336 -25.939 15.707 1.00 65.31 C ATOM 301 OG SER A 21 -7.093 -25.639 15.089 1.00 31.31 O ATOM 0 H SER A 21 -10.197 -26.100 13.329 1.00 5.35 H new ATOM 0 HA SER A 21 -8.553 -27.914 14.883 1.00 13.22 H new ATOM 0 HB2 SER A 21 -8.928 -25.028 15.802 1.00 65.31 H new ATOM 0 HB3 SER A 21 -8.163 -26.313 16.716 1.00 65.31 H new ATOM 0 HG SER A 21 -6.614 -24.972 15.624 1.00 31.31 H new ATOM 307 N MET A 22 -10.536 -28.253 16.402 1.00 40.34 N ATOM 308 CA MET A 22 -11.760 -28.593 17.122 1.00 11.43 C ATOM 309 C MET A 22 -11.865 -27.748 18.391 1.00 25.31 C ATOM 310 O MET A 22 -11.186 -28.031 19.381 1.00 73.35 O ATOM 311 CB MET A 22 -11.763 -30.086 17.494 1.00 14.10 C ATOM 312 CG MET A 22 -11.618 -31.027 16.303 1.00 73.13 C ATOM 313 SD MET A 22 -11.474 -32.755 16.808 1.00 12.04 S ATOM 314 CE MET A 22 -11.236 -33.565 15.225 1.00 34.42 C ATOM 0 H MET A 22 -9.744 -28.860 16.616 1.00 40.34 H new ATOM 0 HA MET A 22 -12.615 -28.388 16.477 1.00 11.43 H new ATOM 0 HB2 MET A 22 -10.950 -30.276 18.194 1.00 14.10 H new ATOM 0 HB3 MET A 22 -12.692 -30.317 18.015 1.00 14.10 H new ATOM 0 HG2 MET A 22 -12.480 -30.913 15.646 1.00 73.13 H new ATOM 0 HG3 MET A 22 -10.738 -30.745 15.725 1.00 73.13 H new ATOM 0 HE1 MET A 22 -11.131 -34.639 15.378 1.00 34.42 H new ATOM 0 HE2 MET A 22 -12.096 -33.372 14.584 1.00 34.42 H new ATOM 0 HE3 MET A 22 -10.335 -33.177 14.749 1.00 34.42 H new ATOM 324 N ASP A 23 -12.684 -26.699 18.353 1.00 74.42 N ATOM 325 CA ASP A 23 -12.876 -25.841 19.522 1.00 12.13 C ATOM 326 C ASP A 23 -14.165 -25.037 19.418 1.00 74.30 C ATOM 327 O ASP A 23 -14.260 -24.078 18.648 1.00 71.42 O ATOM 328 CB ASP A 23 -11.683 -24.901 19.716 1.00 21.15 C ATOM 329 CG ASP A 23 -11.791 -24.058 20.978 1.00 3.10 C ATOM 330 OD1 ASP A 23 -11.822 -24.634 22.088 1.00 33.13 O ATOM 331 OD2 ASP A 23 -11.839 -22.813 20.873 1.00 40.20 O ATOM 0 H ASP A 23 -13.222 -26.423 17.532 1.00 74.42 H new ATOM 0 HA ASP A 23 -12.951 -26.493 20.392 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -10.766 -25.489 19.756 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -11.602 -24.242 18.851 1.00 21.15 H new ATOM 336 N ASP A 24 -15.137 -25.462 20.206 1.00 42.31 N ATOM 337 CA ASP A 24 -16.446 -24.813 20.344 1.00 42.05 C ATOM 338 C ASP A 24 -17.068 -24.393 19.003 1.00 40.34 C ATOM 339 O ASP A 24 -17.769 -25.181 18.367 1.00 21.12 O ATOM 340 CB ASP A 24 -16.354 -23.610 21.298 1.00 70.42 C ATOM 341 CG ASP A 24 -17.718 -22.999 21.599 1.00 43.13 C ATOM 342 OD1 ASP A 24 -18.454 -23.571 22.436 1.00 14.53 O ATOM 343 OD2 ASP A 24 -18.064 -21.961 21.000 1.00 1.13 O ATOM 0 H ASP A 24 -15.042 -26.294 20.789 1.00 42.31 H new ATOM 0 HA ASP A 24 -17.115 -25.563 20.767 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -15.887 -23.925 22.231 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -15.708 -22.850 20.858 1.00 70.42 H new ATOM 348 N GLU A 25 -16.800 -23.161 18.579 1.00 43.24 N ATOM 349 CA GLU A 25 -17.468 -22.570 17.418 1.00 32.13 C ATOM 350 C GLU A 25 -16.791 -22.970 16.107 1.00 71.11 C ATOM 351 O GLU A 25 -15.566 -23.039 16.027 1.00 11.21 O ATOM 352 CB GLU A 25 -17.498 -21.036 17.563 1.00 24.04 C ATOM 353 CG GLU A 25 -16.118 -20.409 17.775 1.00 41.52 C ATOM 354 CD GLU A 25 -16.173 -18.909 18.053 1.00 11.45 C ATOM 355 OE1 GLU A 25 -16.713 -18.519 19.108 1.00 25.03 O ATOM 356 OE2 GLU A 25 -15.672 -18.117 17.229 1.00 40.34 O ATOM 0 H GLU A 25 -16.119 -22.546 19.025 1.00 43.24 H new ATOM 0 HA GLU A 25 -18.488 -22.953 17.384 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -17.950 -20.605 16.670 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -18.140 -20.772 18.404 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -15.624 -20.908 18.609 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -15.507 -20.585 16.890 1.00 41.52 H new ATOM 363 N LEU A 26 -17.603 -23.238 15.078 1.00 21.21 N ATOM 364 CA LEU A 26 -17.097 -23.553 13.741 1.00 15.43 C ATOM 365 C LEU A 26 -17.592 -22.521 12.731 1.00 11.11 C ATOM 366 O LEU A 26 -18.749 -22.098 12.774 1.00 33.23 O ATOM 367 CB LEU A 26 -17.514 -24.964 13.285 1.00 3.44 C ATOM 368 CG LEU A 26 -16.770 -26.137 13.956 1.00 42.43 C ATOM 369 CD1 LEU A 26 -17.235 -26.348 15.396 1.00 63.11 C ATOM 370 CD2 LEU A 26 -16.921 -27.415 13.137 1.00 21.13 C ATOM 0 H LEU A 26 -18.621 -23.242 15.149 1.00 21.21 H new ATOM 0 HA LEU A 26 -16.009 -23.524 13.792 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -18.582 -25.083 13.469 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -17.367 -25.035 12.207 1.00 3.44 H new ATOM 0 HG LEU A 26 -15.711 -25.879 13.991 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -16.689 -27.182 15.836 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -17.046 -25.444 15.976 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -18.303 -26.568 15.405 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -16.388 -28.228 13.630 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -17.977 -27.671 13.054 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -16.506 -27.260 12.141 1.00 21.13 H new ATOM 382 N TYR A 27 -16.698 -22.118 11.838 1.00 5.01 N ATOM 383 CA TYR A 27 -16.977 -21.114 10.814 1.00 1.23 C ATOM 384 C TYR A 27 -16.568 -21.632 9.436 1.00 21.45 C ATOM 385 O TYR A 27 -15.749 -22.546 9.322 1.00 35.30 O ATOM 386 CB TYR A 27 -16.187 -19.819 11.090 1.00 52.12 C ATOM 387 CG TYR A 27 -16.631 -19.021 12.307 1.00 2.32 C ATOM 388 CD1 TYR A 27 -16.718 -19.607 13.562 1.00 64.22 C ATOM 389 CD2 TYR A 27 -16.938 -17.666 12.198 1.00 22.21 C ATOM 390 CE1 TYR A 27 -17.100 -18.878 14.665 1.00 54.23 C ATOM 391 CE2 TYR A 27 -17.325 -16.929 13.301 1.00 1.01 C ATOM 392 CZ TYR A 27 -17.402 -17.543 14.533 1.00 13.21 C ATOM 393 OH TYR A 27 -17.769 -16.817 15.642 1.00 30.44 O ATOM 0 H TYR A 27 -15.746 -22.482 11.802 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.047 -20.909 10.838 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.135 -20.076 11.211 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.259 -19.177 10.212 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -16.482 -20.655 13.675 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -16.872 -17.183 11.234 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -17.162 -19.354 15.633 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -17.565 -15.881 13.199 1.00 1.01 H new ATOM 0 HH TYR A 27 -17.194 -17.060 16.397 1.00 30.44 H new ATOM 403 N PHE A 28 -17.158 -21.044 8.403 1.00 71.32 N ATOM 404 CA PHE A 28 -16.687 -21.193 7.030 1.00 10.14 C ATOM 405 C PHE A 28 -16.161 -19.859 6.538 1.00 42.44 C ATOM 406 O PHE A 28 -16.350 -18.826 7.190 1.00 44.14 O ATOM 407 CB PHE A 28 -17.809 -21.666 6.087 1.00 40.34 C ATOM 408 CG PHE A 28 -18.006 -23.155 6.068 1.00 41.12 C ATOM 409 CD1 PHE A 28 -17.031 -23.982 5.543 1.00 65.42 C ATOM 410 CD2 PHE A 28 -19.160 -23.726 6.570 1.00 74.33 C ATOM 411 CE1 PHE A 28 -17.207 -25.347 5.518 1.00 62.14 C ATOM 412 CE2 PHE A 28 -19.335 -25.100 6.548 1.00 21.32 C ATOM 413 CZ PHE A 28 -18.356 -25.905 6.025 1.00 60.33 C ATOM 0 H PHE A 28 -17.980 -20.447 8.493 1.00 71.32 H new ATOM 0 HA PHE A 28 -15.900 -21.947 7.025 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -18.744 -21.190 6.384 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -17.586 -21.327 5.075 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -16.122 -23.553 5.148 1.00 65.42 H new ATOM 0 HD2 PHE A 28 -19.933 -23.095 6.983 1.00 74.33 H new ATOM 0 HE1 PHE A 28 -16.440 -25.981 5.099 1.00 62.14 H new ATOM 0 HE2 PHE A 28 -20.241 -25.536 6.942 1.00 21.32 H new ATOM 0 HZ PHE A 28 -18.488 -26.977 6.011 1.00 60.33 H new ATOM 423 N VAL A 29 -15.506 -19.882 5.393 1.00 31.31 N ATOM 424 CA VAL A 29 -15.097 -18.660 4.733 1.00 3.35 C ATOM 425 C VAL A 29 -16.165 -18.303 3.711 1.00 63.31 C ATOM 426 O VAL A 29 -16.518 -19.129 2.882 1.00 22.10 O ATOM 427 CB VAL A 29 -13.725 -18.823 4.036 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.295 -17.514 3.391 1.00 63.55 C ATOM 429 CG2 VAL A 29 -12.666 -19.320 5.023 1.00 71.30 C ATOM 0 H VAL A 29 -15.246 -20.737 4.901 1.00 31.31 H new ATOM 0 HA VAL A 29 -14.988 -17.867 5.473 1.00 3.35 H new ATOM 0 HB VAL A 29 -13.828 -19.572 3.251 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.328 -17.648 2.906 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.035 -17.214 2.649 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.213 -16.741 4.155 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -11.711 -19.426 4.509 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -12.562 -18.602 5.837 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -12.970 -20.286 5.427 1.00 71.30 H new ATOM 439 N VAL A 30 -16.708 -17.096 3.782 1.00 64.44 N ATOM 440 CA VAL A 30 -17.851 -16.732 2.953 1.00 74.31 C ATOM 441 C VAL A 30 -17.591 -15.466 2.150 1.00 41.10 C ATOM 442 O VAL A 30 -16.687 -14.679 2.465 1.00 44.12 O ATOM 443 CB VAL A 30 -19.124 -16.526 3.806 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.454 -17.793 4.588 1.00 2.32 C ATOM 445 CG2 VAL A 30 -18.963 -15.323 4.738 1.00 64.13 C ATOM 0 H VAL A 30 -16.379 -16.355 4.401 1.00 64.44 H new ATOM 0 HA VAL A 30 -18.004 -17.563 2.265 1.00 74.31 H new ATOM 0 HB VAL A 30 -19.959 -16.317 3.137 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.353 -17.630 5.183 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.623 -18.616 3.893 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -18.622 -18.040 5.248 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -19.870 -15.196 5.329 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.116 -15.490 5.404 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -18.787 -14.425 4.146 1.00 64.13 H new ATOM 455 N ARG A 31 -18.394 -15.299 1.104 1.00 74.21 N ATOM 456 CA ARG A 31 -18.336 -14.116 0.246 1.00 61.34 C ATOM 457 C ARG A 31 -19.536 -14.088 -0.686 1.00 65.32 C ATOM 458 O ARG A 31 -20.294 -15.050 -0.744 1.00 35.24 O ATOM 459 CB ARG A 31 -17.044 -14.110 -0.588 1.00 41.42 C ATOM 460 CG ARG A 31 -16.818 -15.384 -1.413 1.00 24.13 C ATOM 461 CD ARG A 31 -15.703 -15.197 -2.438 1.00 34.43 C ATOM 462 NE ARG A 31 -15.217 -16.468 -2.992 1.00 52.03 N ATOM 463 CZ ARG A 31 -15.103 -16.733 -4.296 1.00 70.33 C ATOM 464 NH1 ARG A 31 -15.615 -15.908 -5.198 1.00 13.04 N ATOM 465 NH2 ARG A 31 -14.497 -17.842 -4.701 1.00 53.34 N ATOM 0 H ARG A 31 -19.103 -15.978 0.826 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.348 -13.233 0.885 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -17.065 -13.254 -1.262 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -16.195 -13.969 0.081 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -16.567 -16.210 -0.747 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -17.741 -15.656 -1.924 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -16.065 -14.567 -3.251 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -14.872 -14.668 -1.971 1.00 34.43 H new ATOM 0 HE ARG A 31 -14.948 -17.200 -2.334 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -16.101 -15.063 -4.898 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -15.523 -16.118 -6.192 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -14.117 -18.495 -4.016 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -14.412 -18.042 -5.698 1.00 53.34 H new ATOM 479 N ASN A 32 -19.733 -12.975 -1.386 1.00 2.23 N ATOM 480 CA ASN A 32 -20.642 -12.967 -2.529 1.00 31.43 C ATOM 481 C ASN A 32 -20.142 -12.018 -3.613 1.00 1.13 C ATOM 482 O ASN A 32 -19.679 -10.924 -3.318 1.00 32.34 O ATOM 483 CB ASN A 32 -22.085 -12.597 -2.110 1.00 44.45 C ATOM 484 CG ASN A 32 -22.222 -11.374 -1.192 1.00 22.14 C ATOM 485 OD1 ASN A 32 -23.193 -11.268 -0.441 1.00 21.30 O ATOM 486 ND2 ASN A 32 -21.277 -10.445 -1.225 1.00 21.21 N ATOM 0 H ASN A 32 -19.284 -12.081 -1.187 1.00 2.23 H new ATOM 0 HA ASN A 32 -20.663 -13.979 -2.934 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -22.670 -12.418 -3.012 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -22.529 -13.456 -1.607 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -21.346 -9.625 -0.622 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -20.480 -10.550 -1.853 1.00 21.21 H new ATOM 493 N ASN A 33 -20.277 -12.460 -4.867 1.00 42.50 N ATOM 494 CA ASN A 33 -19.935 -11.690 -6.085 1.00 1.24 C ATOM 495 C ASN A 33 -18.739 -10.719 -5.952 1.00 14.24 C ATOM 496 O ASN A 33 -18.579 -9.832 -6.788 1.00 32.20 O ATOM 497 CB ASN A 33 -21.172 -10.929 -6.583 1.00 73.12 C ATOM 498 CG ASN A 33 -22.242 -11.856 -7.138 1.00 2.33 C ATOM 499 OD1 ASN A 33 -22.215 -12.212 -8.319 1.00 42.53 O ATOM 500 ND2 ASN A 33 -23.190 -12.251 -6.302 1.00 65.15 N ATOM 0 H ASN A 33 -20.637 -13.391 -5.078 1.00 42.50 H new ATOM 0 HA ASN A 33 -19.609 -12.438 -6.808 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -21.591 -10.346 -5.762 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -20.872 -10.221 -7.356 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -23.932 -12.871 -6.628 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -23.179 -11.935 -5.332 1.00 65.15 H new ATOM 507 N GLU A 34 -17.891 -10.888 -4.940 1.00 12.12 N ATOM 508 CA GLU A 34 -16.793 -9.945 -4.695 1.00 15.25 C ATOM 509 C GLU A 34 -15.425 -10.584 -4.944 1.00 55.43 C ATOM 510 O GLU A 34 -14.465 -9.899 -5.299 1.00 11.43 O ATOM 511 CB GLU A 34 -16.880 -9.394 -3.263 1.00 31.40 C ATOM 512 CG GLU A 34 -16.788 -10.457 -2.176 1.00 45.21 C ATOM 513 CD GLU A 34 -17.166 -9.922 -0.803 1.00 55.45 C ATOM 514 OE1 GLU A 34 -16.348 -9.199 -0.191 1.00 70.25 O ATOM 515 OE2 GLU A 34 -18.288 -10.209 -0.333 1.00 52.32 O ATOM 0 H GLU A 34 -17.939 -11.663 -4.278 1.00 12.12 H new ATOM 0 HA GLU A 34 -16.898 -9.122 -5.402 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -16.079 -8.670 -3.115 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -17.821 -8.856 -3.150 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -17.443 -11.290 -2.431 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -15.772 -10.850 -2.142 1.00 45.21 H new ATOM 522 N GLY A 35 -15.335 -11.898 -4.737 1.00 13.30 N ATOM 523 CA GLY A 35 -14.069 -12.603 -4.903 1.00 3.53 C ATOM 524 C GLY A 35 -13.162 -12.472 -3.688 1.00 21.20 C ATOM 525 O GLY A 35 -12.143 -13.156 -3.589 1.00 11.05 O ATOM 0 H GLY A 35 -16.117 -12.489 -4.457 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -14.267 -13.658 -5.092 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -13.553 -12.214 -5.781 1.00 3.53 H new ATOM 529 N GLN A 36 -13.531 -11.586 -2.766 1.00 72.42 N ATOM 530 CA GLN A 36 -12.790 -11.395 -1.519 1.00 74.31 C ATOM 531 C GLN A 36 -13.264 -12.421 -0.497 1.00 21.04 C ATOM 532 O GLN A 36 -14.228 -13.137 -0.754 1.00 51.11 O ATOM 533 CB GLN A 36 -13.003 -9.968 -0.997 1.00 41.20 C ATOM 534 CG GLN A 36 -12.645 -8.898 -2.022 1.00 14.33 C ATOM 535 CD GLN A 36 -12.889 -7.488 -1.526 1.00 24.11 C ATOM 536 OE1 GLN A 36 -12.781 -7.205 -0.333 1.00 61.54 O ATOM 537 NE2 GLN A 36 -13.220 -6.592 -2.441 1.00 51.11 N ATOM 0 H GLN A 36 -14.348 -10.982 -2.860 1.00 72.42 H new ATOM 0 HA GLN A 36 -11.724 -11.536 -1.696 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -14.045 -9.847 -0.703 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -12.400 -9.821 -0.101 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -11.595 -9.003 -2.295 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -13.228 -9.063 -2.928 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -13.299 -6.868 -3.420 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -13.396 -5.625 -2.168 1.00 51.11 H new ATOM 546 N TYR A 37 -12.608 -12.499 0.656 1.00 44.03 N ATOM 547 CA TYR A 37 -12.930 -13.542 1.633 1.00 31.33 C ATOM 548 C TYR A 37 -13.189 -12.988 3.032 1.00 72.14 C ATOM 549 O TYR A 37 -12.427 -12.166 3.548 1.00 73.10 O ATOM 550 CB TYR A 37 -11.813 -14.601 1.672 1.00 65.43 C ATOM 551 CG TYR A 37 -11.946 -15.647 0.577 1.00 23.52 C ATOM 552 CD1 TYR A 37 -13.161 -16.287 0.378 1.00 60.30 C ATOM 553 CD2 TYR A 37 -10.880 -15.987 -0.253 1.00 24.31 C ATOM 554 CE1 TYR A 37 -13.317 -17.238 -0.608 1.00 72.34 C ATOM 555 CE2 TYR A 37 -11.031 -16.941 -1.248 1.00 24.44 C ATOM 556 CZ TYR A 37 -12.253 -17.563 -1.419 1.00 11.32 C ATOM 557 OH TYR A 37 -12.419 -18.511 -2.407 1.00 0.35 O ATOM 0 H TYR A 37 -11.861 -11.865 0.938 1.00 44.03 H new ATOM 0 HA TYR A 37 -13.860 -14.006 1.304 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -10.847 -14.105 1.578 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -11.824 -15.096 2.643 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -14.001 -16.035 1.008 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -9.924 -15.502 -0.120 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -14.271 -17.726 -0.744 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -10.198 -17.197 -1.886 1.00 24.44 H new ATOM 0 HH TYR A 37 -11.576 -18.627 -2.894 1.00 0.35 H new ATOM 567 N SER A 38 -14.285 -13.460 3.626 1.00 71.15 N ATOM 568 CA SER A 38 -14.630 -13.174 5.012 1.00 73.51 C ATOM 569 C SER A 38 -14.993 -14.487 5.701 1.00 12.10 C ATOM 570 O SER A 38 -14.917 -15.548 5.082 1.00 11.10 O ATOM 571 CB SER A 38 -15.799 -12.181 5.086 1.00 52.44 C ATOM 572 OG SER A 38 -16.090 -11.820 6.428 1.00 71.45 O ATOM 0 H SER A 38 -14.962 -14.057 3.151 1.00 71.15 H new ATOM 0 HA SER A 38 -13.779 -12.716 5.517 1.00 73.51 H new ATOM 0 HB2 SER A 38 -15.555 -11.287 4.512 1.00 52.44 H new ATOM 0 HB3 SER A 38 -16.683 -12.623 4.627 1.00 52.44 H new ATOM 0 HG SER A 38 -16.837 -11.186 6.442 1.00 71.45 H new ATOM 578 N VAL A 39 -15.361 -14.431 6.975 1.00 63.03 N ATOM 579 CA VAL A 39 -15.727 -15.636 7.719 1.00 5.30 C ATOM 580 C VAL A 39 -17.127 -15.513 8.323 1.00 14.12 C ATOM 581 O VAL A 39 -17.586 -14.416 8.656 1.00 3.12 O ATOM 582 CB VAL A 39 -14.692 -15.959 8.824 1.00 35.10 C ATOM 583 CG1 VAL A 39 -13.352 -16.348 8.199 1.00 34.34 C ATOM 584 CG2 VAL A 39 -14.526 -14.774 9.772 1.00 24.42 C ATOM 0 H VAL A 39 -15.415 -13.568 7.516 1.00 63.03 H new ATOM 0 HA VAL A 39 -15.731 -16.461 7.007 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.059 -16.805 9.405 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -12.634 -16.572 8.988 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -13.486 -17.228 7.569 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -12.979 -15.522 7.594 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -13.794 -15.023 10.541 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -14.182 -13.905 9.211 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -15.483 -14.547 10.242 1.00 24.42 H new ATOM 594 N TRP A 40 -17.799 -16.653 8.449 1.00 31.10 N ATOM 595 CA TRP A 40 -19.177 -16.711 8.927 1.00 74.31 C ATOM 596 C TRP A 40 -19.397 -18.023 9.670 1.00 25.31 C ATOM 597 O TRP A 40 -18.851 -19.054 9.279 1.00 1.51 O ATOM 598 CB TRP A 40 -20.120 -16.602 7.725 1.00 25.04 C ATOM 599 CG TRP A 40 -21.584 -16.587 8.052 1.00 64.03 C ATOM 600 CD1 TRP A 40 -22.414 -17.667 8.164 1.00 73.50 C ATOM 601 CD2 TRP A 40 -22.399 -15.432 8.265 1.00 63.34 C ATOM 602 NE1 TRP A 40 -23.693 -17.253 8.435 1.00 4.55 N ATOM 603 CE2 TRP A 40 -23.710 -15.885 8.506 1.00 73.33 C ATOM 604 CE3 TRP A 40 -22.147 -14.058 8.279 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -24.761 -15.013 8.753 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -23.195 -13.193 8.526 1.00 51.14 C ATOM 607 CH2 TRP A 40 -24.489 -13.673 8.762 1.00 71.21 C ATOM 0 H TRP A 40 -17.403 -17.565 8.222 1.00 31.10 H new ATOM 0 HA TRP A 40 -19.379 -15.888 9.612 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -19.879 -15.691 7.177 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -19.924 -17.439 7.054 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -22.107 -18.697 8.055 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -24.500 -17.864 8.563 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -21.152 -13.679 8.100 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -25.761 -15.381 8.932 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -23.013 -12.128 8.537 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -25.287 -12.972 8.955 1.00 71.21 H new ATOM 618 N MET A 41 -20.189 -17.989 10.734 1.00 15.53 N ATOM 619 CA MET A 41 -20.375 -19.166 11.585 1.00 1.22 C ATOM 620 C MET A 41 -21.278 -20.203 10.911 1.00 72.33 C ATOM 621 O MET A 41 -22.259 -19.854 10.249 1.00 71.32 O ATOM 622 CB MET A 41 -20.962 -18.756 12.944 1.00 42.31 C ATOM 623 CG MET A 41 -21.024 -19.894 13.957 1.00 31.15 C ATOM 624 SD MET A 41 -21.646 -19.362 15.563 1.00 32.11 S ATOM 625 CE MET A 41 -21.437 -20.864 16.520 1.00 73.30 C ATOM 0 H MET A 41 -20.712 -17.165 11.031 1.00 15.53 H new ATOM 0 HA MET A 41 -19.397 -19.621 11.743 1.00 1.22 H new ATOM 0 HB2 MET A 41 -20.362 -17.946 13.358 1.00 42.31 H new ATOM 0 HB3 MET A 41 -21.967 -18.363 12.791 1.00 42.31 H new ATOM 0 HG2 MET A 41 -21.664 -20.686 13.568 1.00 31.15 H new ATOM 0 HG3 MET A 41 -20.028 -20.320 14.080 1.00 31.15 H new ATOM 0 HE1 MET A 41 -21.779 -20.695 17.541 1.00 73.30 H new ATOM 0 HE2 MET A 41 -22.021 -21.666 16.070 1.00 73.30 H new ATOM 0 HE3 MET A 41 -20.384 -21.145 16.531 1.00 73.30 H new ATOM 635 N ASP A 42 -20.932 -21.477 11.089 1.00 51.30 N ATOM 636 CA ASP A 42 -21.711 -22.590 10.545 1.00 11.42 C ATOM 637 C ASP A 42 -23.003 -22.773 11.339 1.00 34.45 C ATOM 638 O ASP A 42 -23.040 -22.527 12.549 1.00 34.15 O ATOM 639 CB ASP A 42 -20.889 -23.891 10.580 1.00 70.44 C ATOM 640 CG ASP A 42 -21.692 -25.107 10.125 1.00 62.11 C ATOM 641 OD1 ASP A 42 -21.726 -25.382 8.913 1.00 14.52 O ATOM 642 OD2 ASP A 42 -22.290 -25.793 10.984 1.00 62.33 O ATOM 0 H ASP A 42 -20.106 -21.767 11.613 1.00 51.30 H new ATOM 0 HA ASP A 42 -21.961 -22.358 9.510 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -20.013 -23.780 9.941 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -20.525 -24.059 11.594 1.00 70.44 H new ATOM 647 N GLY A 43 -24.060 -23.202 10.653 1.00 43.50 N ATOM 648 CA GLY A 43 -25.345 -23.420 11.299 1.00 3.14 C ATOM 649 C GLY A 43 -26.233 -22.191 11.244 1.00 31.24 C ATOM 650 O GLY A 43 -27.324 -22.171 11.822 1.00 3.04 O ATOM 0 H GLY A 43 -24.049 -23.404 9.653 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -25.854 -24.255 10.818 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -25.183 -23.702 12.339 1.00 3.14 H new ATOM 654 N ARG A 44 -25.763 -21.162 10.547 1.00 4.12 N ATOM 655 CA ARG A 44 -26.508 -19.917 10.393 1.00 32.44 C ATOM 656 C ARG A 44 -26.740 -19.630 8.909 1.00 64.22 C ATOM 657 O ARG A 44 -25.794 -19.359 8.164 1.00 52.23 O ATOM 658 CB ARG A 44 -25.748 -18.763 11.057 1.00 0.23 C ATOM 659 CG ARG A 44 -26.486 -17.428 11.014 1.00 25.34 C ATOM 660 CD ARG A 44 -25.734 -16.343 11.779 1.00 30.41 C ATOM 661 NE ARG A 44 -26.378 -15.033 11.655 1.00 65.32 N ATOM 662 CZ ARG A 44 -25.863 -13.898 12.125 1.00 41.11 C ATOM 663 NH1 ARG A 44 -24.689 -13.902 12.752 1.00 33.33 N ATOM 664 NH2 ARG A 44 -26.519 -12.756 11.966 1.00 23.54 N ATOM 0 H ARG A 44 -24.859 -21.167 10.075 1.00 4.12 H new ATOM 0 HA ARG A 44 -27.477 -20.016 10.882 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -25.549 -19.023 12.097 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -24.781 -18.648 10.566 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -26.617 -17.118 9.977 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -27.482 -17.549 11.439 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -25.674 -16.618 12.832 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -24.711 -16.280 11.407 1.00 30.41 H new ATOM 0 HE ARG A 44 -27.279 -14.987 11.178 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -24.179 -14.777 12.874 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -24.299 -13.030 13.110 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -27.418 -12.747 11.484 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -26.125 -11.887 12.326 1.00 23.54 H new ATOM 678 N SER A 45 -28.004 -19.705 8.500 1.00 20.53 N ATOM 679 CA SER A 45 -28.395 -19.553 7.102 1.00 5.15 C ATOM 680 C SER A 45 -27.946 -18.205 6.539 1.00 72.32 C ATOM 681 O SER A 45 -28.280 -17.145 7.074 1.00 4.10 O ATOM 682 CB SER A 45 -29.917 -19.713 6.969 1.00 43.33 C ATOM 683 OG SER A 45 -30.342 -20.963 7.493 1.00 24.12 O ATOM 0 H SER A 45 -28.788 -19.873 9.131 1.00 20.53 H new ATOM 0 HA SER A 45 -27.899 -20.331 6.521 1.00 5.15 H new ATOM 0 HB2 SER A 45 -30.420 -18.903 7.497 1.00 43.33 H new ATOM 0 HB3 SER A 45 -30.205 -19.637 5.920 1.00 43.33 H new ATOM 0 HG SER A 45 -31.314 -21.043 7.400 1.00 24.12 H new ATOM 689 N LEU A 46 -27.172 -18.269 5.465 1.00 30.11 N ATOM 690 CA LEU A 46 -26.696 -17.088 4.771 1.00 41.30 C ATOM 691 C LEU A 46 -27.777 -16.525 3.854 1.00 52.25 C ATOM 692 O LEU A 46 -28.512 -17.280 3.212 1.00 65.25 O ATOM 693 CB LEU A 46 -25.442 -17.430 3.954 1.00 31.30 C ATOM 694 CG LEU A 46 -24.112 -17.342 4.718 1.00 40.51 C ATOM 695 CD1 LEU A 46 -22.971 -17.883 3.869 1.00 14.34 C ATOM 696 CD2 LEU A 46 -23.831 -15.900 5.128 1.00 11.43 C ATOM 0 H LEU A 46 -26.857 -19.147 5.051 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.446 -16.330 5.514 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.550 -18.441 3.562 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.394 -16.759 3.097 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.190 -17.952 5.618 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -22.037 -17.812 4.427 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -23.166 -18.926 3.619 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -22.891 -17.299 2.952 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -22.886 -15.853 5.668 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -23.772 -15.274 4.238 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -24.635 -15.541 5.771 1.00 11.43 H new ATOM 708 N PRO A 47 -27.899 -15.186 3.808 1.00 40.22 N ATOM 709 CA PRO A 47 -28.781 -14.505 2.860 1.00 35.22 C ATOM 710 C PRO A 47 -28.522 -14.960 1.421 1.00 3.22 C ATOM 711 O PRO A 47 -27.365 -15.165 1.019 1.00 43.43 O ATOM 712 CB PRO A 47 -28.418 -13.021 3.029 1.00 55.23 C ATOM 713 CG PRO A 47 -27.858 -12.913 4.408 1.00 33.22 C ATOM 714 CD PRO A 47 -27.197 -14.239 4.698 1.00 72.34 C ATOM 0 HA PRO A 47 -29.833 -14.717 3.050 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -27.690 -12.706 2.282 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -29.295 -12.384 2.908 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -27.139 -12.097 4.473 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -28.645 -12.703 5.133 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.128 -14.208 4.486 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -27.306 -14.519 5.746 1.00 72.34 H new ATOM 722 N ALA A 48 -29.599 -15.124 0.660 1.00 24.10 N ATOM 723 CA ALA A 48 -29.505 -15.542 -0.733 1.00 45.31 C ATOM 724 C ALA A 48 -28.509 -14.663 -1.486 1.00 10.30 C ATOM 725 O ALA A 48 -28.618 -13.433 -1.471 1.00 50.42 O ATOM 726 CB ALA A 48 -30.878 -15.493 -1.389 1.00 71.43 C ATOM 0 H ALA A 48 -30.553 -14.972 0.988 1.00 24.10 H new ATOM 0 HA ALA A 48 -29.144 -16.570 -0.770 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -30.796 -15.807 -2.429 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -31.558 -16.162 -0.861 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -31.265 -14.475 -1.347 1.00 71.43 H new ATOM 732 N GLY A 49 -27.540 -15.300 -2.133 1.00 61.20 N ATOM 733 CA GLY A 49 -26.484 -14.576 -2.818 1.00 60.31 C ATOM 734 C GLY A 49 -25.118 -14.837 -2.209 1.00 71.01 C ATOM 735 O GLY A 49 -24.106 -14.784 -2.911 1.00 13.20 O ATOM 0 H GLY A 49 -27.467 -16.315 -2.196 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -26.472 -14.864 -3.869 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -26.697 -13.508 -2.783 1.00 60.31 H new ATOM 739 N TRP A 50 -25.079 -15.118 -0.904 1.00 52.24 N ATOM 740 CA TRP A 50 -23.816 -15.434 -0.231 1.00 31.12 C ATOM 741 C TRP A 50 -23.361 -16.855 -0.578 1.00 32.34 C ATOM 742 O TRP A 50 -24.181 -17.711 -0.923 1.00 34.24 O ATOM 743 CB TRP A 50 -23.967 -15.284 1.289 1.00 51.44 C ATOM 744 CG TRP A 50 -24.133 -13.864 1.746 1.00 52.31 C ATOM 745 CD1 TRP A 50 -25.201 -13.044 1.517 1.00 43.21 C ATOM 746 CD2 TRP A 50 -23.199 -13.100 2.520 1.00 52.50 C ATOM 747 NE1 TRP A 50 -24.992 -11.819 2.106 1.00 1.04 N ATOM 748 CE2 TRP A 50 -23.767 -11.828 2.725 1.00 0.44 C ATOM 749 CE3 TRP A 50 -21.938 -13.372 3.061 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -23.115 -10.829 3.448 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -21.293 -12.381 3.776 1.00 43.03 C ATOM 752 CH2 TRP A 50 -21.881 -11.124 3.965 1.00 53.43 C ATOM 0 H TRP A 50 -25.899 -15.133 -0.297 1.00 52.24 H new ATOM 0 HA TRP A 50 -23.058 -14.732 -0.579 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -24.829 -15.864 1.618 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.090 -15.712 1.775 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.082 -13.318 0.955 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -25.641 -11.032 2.086 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -21.477 -14.339 2.922 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -23.566 -9.859 3.595 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -20.318 -12.579 4.197 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -21.351 -10.372 4.530 1.00 53.43 H new ATOM 763 N GLU A 51 -22.054 -17.099 -0.485 1.00 31.52 N ATOM 764 CA GLU A 51 -21.482 -18.411 -0.776 1.00 65.54 C ATOM 765 C GLU A 51 -20.454 -18.786 0.298 1.00 44.41 C ATOM 766 O GLU A 51 -19.793 -17.904 0.878 1.00 23.22 O ATOM 767 CB GLU A 51 -20.841 -18.425 -2.178 1.00 21.21 C ATOM 768 CG GLU A 51 -19.554 -17.613 -2.286 1.00 31.04 C ATOM 769 CD GLU A 51 -19.081 -17.433 -3.722 1.00 61.44 C ATOM 770 OE1 GLU A 51 -18.515 -18.391 -4.293 1.00 74.23 O ATOM 771 OE2 GLU A 51 -19.281 -16.332 -4.289 1.00 2.31 O ATOM 0 H GLU A 51 -21.367 -16.398 -0.208 1.00 31.52 H new ATOM 0 HA GLU A 51 -22.281 -19.152 -0.765 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -20.631 -19.457 -2.459 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.562 -18.039 -2.899 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.711 -16.633 -1.836 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -18.771 -18.106 -1.711 1.00 31.04 H new ATOM 778 N THR A 52 -20.340 -20.094 0.552 1.00 32.54 N ATOM 779 CA THR A 52 -19.459 -20.645 1.587 1.00 63.35 C ATOM 780 C THR A 52 -18.266 -21.373 0.961 1.00 21.15 C ATOM 781 O THR A 52 -18.364 -21.877 -0.161 1.00 10.23 O ATOM 782 CB THR A 52 -20.237 -21.633 2.487 1.00 43.32 C ATOM 783 OG1 THR A 52 -20.976 -22.548 1.665 1.00 14.24 O ATOM 784 CG2 THR A 52 -21.195 -20.903 3.422 1.00 41.04 C ATOM 0 H THR A 52 -20.861 -20.806 0.040 1.00 32.54 H new ATOM 0 HA THR A 52 -19.093 -19.812 2.187 1.00 63.35 H new ATOM 0 HB THR A 52 -19.515 -22.174 3.098 1.00 43.32 H new ATOM 0 HG1 THR A 52 -21.468 -23.176 2.235 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.725 -21.629 4.039 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.632 -20.224 4.062 1.00 41.04 H new ATOM 0 HG23 THR A 52 -21.914 -20.334 2.834 1.00 41.04 H new ATOM 792 N VAL A 53 -17.150 -21.429 1.693 1.00 23.41 N ATOM 793 CA VAL A 53 -15.910 -22.047 1.208 1.00 22.34 C ATOM 794 C VAL A 53 -15.106 -22.630 2.380 1.00 44.25 C ATOM 795 O VAL A 53 -15.202 -22.145 3.518 1.00 74.21 O ATOM 796 CB VAL A 53 -14.994 -21.028 0.459 1.00 51.30 C ATOM 797 CG1 VAL A 53 -13.846 -21.745 -0.253 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.782 -20.158 -0.526 1.00 31.43 C ATOM 0 H VAL A 53 -17.079 -21.048 2.637 1.00 23.41 H new ATOM 0 HA VAL A 53 -16.210 -22.832 0.514 1.00 22.34 H new ATOM 0 HB VAL A 53 -14.574 -20.363 1.214 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -13.223 -21.013 -0.767 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -13.244 -22.284 0.479 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -14.252 -22.450 -0.979 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -15.103 -19.465 -1.023 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.261 -20.794 -1.271 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -16.543 -19.595 0.014 1.00 31.43 H new ATOM 808 N GLY A 54 -14.306 -23.659 2.082 1.00 3.04 N ATOM 809 CA GLY A 54 -13.408 -24.251 3.065 1.00 22.23 C ATOM 810 C GLY A 54 -14.053 -25.364 3.870 1.00 33.01 C ATOM 811 O GLY A 54 -15.142 -25.830 3.534 1.00 72.20 O ATOM 0 H GLY A 54 -14.266 -24.097 1.162 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -12.529 -24.643 2.554 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -13.061 -23.473 3.745 1.00 22.23 H new ATOM 815 N GLU A 55 -13.358 -25.804 4.915 1.00 4.43 N ATOM 816 CA GLU A 55 -13.875 -26.769 5.867 1.00 31.03 C ATOM 817 C GLU A 55 -14.163 -26.058 7.197 1.00 24.14 C ATOM 818 O GLU A 55 -13.427 -25.148 7.583 1.00 23.13 O ATOM 819 CB GLU A 55 -12.870 -27.923 6.070 1.00 24.22 C ATOM 820 CG GLU A 55 -11.431 -27.489 6.384 1.00 31.31 C ATOM 821 CD GLU A 55 -10.602 -27.169 5.142 1.00 15.13 C ATOM 822 OE1 GLU A 55 -10.630 -26.010 4.680 1.00 54.04 O ATOM 823 OE2 GLU A 55 -9.912 -28.081 4.627 1.00 72.41 O ATOM 0 H GLU A 55 -12.409 -25.494 5.123 1.00 4.43 H new ATOM 0 HA GLU A 55 -14.800 -27.198 5.482 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -13.227 -28.556 6.882 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -12.859 -28.537 5.169 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -11.458 -26.610 7.028 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -10.936 -28.281 6.946 1.00 31.31 H new ATOM 830 N PRO A 56 -15.234 -26.447 7.916 1.00 15.13 N ATOM 831 CA PRO A 56 -15.656 -25.742 9.136 1.00 1.52 C ATOM 832 C PRO A 56 -14.600 -25.802 10.250 1.00 72.40 C ATOM 833 O PRO A 56 -14.187 -26.879 10.682 1.00 53.12 O ATOM 834 CB PRO A 56 -16.953 -26.461 9.541 1.00 31.21 C ATOM 835 CG PRO A 56 -16.860 -27.807 8.901 1.00 3.01 C ATOM 836 CD PRO A 56 -16.113 -27.592 7.612 1.00 64.45 C ATOM 0 HA PRO A 56 -15.797 -24.675 8.964 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -17.038 -26.543 10.625 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -17.832 -25.918 9.193 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -16.335 -28.512 9.545 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -17.851 -28.222 8.715 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -15.540 -28.474 7.327 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -16.790 -27.371 6.787 1.00 64.45 H new ATOM 844 N ALA A 57 -14.170 -24.623 10.695 1.00 33.55 N ATOM 845 CA ALA A 57 -13.147 -24.486 11.734 1.00 55.44 C ATOM 846 C ALA A 57 -13.383 -23.202 12.517 1.00 31.23 C ATOM 847 O ALA A 57 -14.014 -22.281 12.005 1.00 52.10 O ATOM 848 CB ALA A 57 -11.755 -24.478 11.112 1.00 52.45 C ATOM 0 H ALA A 57 -14.521 -23.732 10.345 1.00 33.55 H new ATOM 0 HA ALA A 57 -13.214 -25.336 12.413 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -11.006 -24.376 11.897 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -11.591 -25.412 10.574 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -11.671 -23.641 10.419 1.00 52.45 H new ATOM 854 N THR A 58 -12.873 -23.136 13.745 1.00 61.34 N ATOM 855 CA THR A 58 -13.105 -21.986 14.615 1.00 41.54 C ATOM 856 C THR A 58 -12.653 -20.687 13.943 1.00 53.23 C ATOM 857 O THR A 58 -11.801 -20.705 13.047 1.00 72.34 O ATOM 858 CB THR A 58 -12.398 -22.158 15.985 1.00 32.00 C ATOM 859 OG1 THR A 58 -12.728 -21.068 16.856 1.00 12.31 O ATOM 860 CG2 THR A 58 -10.886 -22.242 15.820 1.00 4.31 C ATOM 0 H THR A 58 -12.295 -23.867 14.160 1.00 61.34 H new ATOM 0 HA THR A 58 -14.179 -21.927 14.794 1.00 41.54 H new ATOM 0 HB THR A 58 -12.749 -23.092 16.424 1.00 32.00 H new ATOM 0 HG1 THR A 58 -12.277 -21.190 17.717 1.00 12.31 H new ATOM 0 HG21 THR A 58 -10.419 -22.362 16.798 1.00 4.31 H new ATOM 0 HG22 THR A 58 -10.636 -23.096 15.191 1.00 4.31 H new ATOM 0 HG23 THR A 58 -10.520 -21.328 15.353 1.00 4.31 H new ATOM 868 N LYS A 59 -13.231 -19.570 14.395 1.00 20.01 N ATOM 869 CA LYS A 59 -13.033 -18.256 13.776 1.00 44.32 C ATOM 870 C LYS A 59 -11.562 -18.017 13.415 1.00 75.31 C ATOM 871 O LYS A 59 -11.245 -17.654 12.276 1.00 55.41 O ATOM 872 CB LYS A 59 -13.527 -17.158 14.733 1.00 22.43 C ATOM 873 CG LYS A 59 -13.635 -15.766 14.105 1.00 75.31 C ATOM 874 CD LYS A 59 -13.944 -14.704 15.161 1.00 22.03 C ATOM 875 CE LYS A 59 -14.189 -13.324 14.555 1.00 60.14 C ATOM 876 NZ LYS A 59 -15.512 -13.226 13.878 1.00 44.44 N ATOM 0 H LYS A 59 -13.852 -19.552 15.204 1.00 20.01 H new ATOM 0 HA LYS A 59 -13.608 -18.226 12.851 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -14.505 -17.445 15.120 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -12.850 -17.106 15.586 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -12.701 -15.519 13.600 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -14.418 -15.766 13.346 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -14.823 -15.008 15.730 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -13.114 -14.645 15.865 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -14.129 -12.570 15.340 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -13.400 -13.100 13.837 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -15.630 -12.271 13.484 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -15.562 -13.926 13.111 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -16.269 -13.412 14.566 1.00 44.44 H new ATOM 890 N GLN A 60 -10.676 -18.249 14.386 1.00 12.52 N ATOM 891 CA GLN A 60 -9.243 -18.024 14.199 1.00 60.11 C ATOM 892 C GLN A 60 -8.701 -18.833 13.026 1.00 73.42 C ATOM 893 O GLN A 60 -8.023 -18.296 12.158 1.00 12.21 O ATOM 894 CB GLN A 60 -8.459 -18.380 15.471 1.00 71.20 C ATOM 895 CG GLN A 60 -6.952 -18.188 15.326 1.00 21.32 C ATOM 896 CD GLN A 60 -6.183 -18.574 16.576 1.00 4.32 C ATOM 897 OE1 GLN A 60 -5.958 -17.747 17.461 1.00 72.30 O ATOM 898 NE2 GLN A 60 -5.769 -19.829 16.652 1.00 42.31 N ATOM 0 H GLN A 60 -10.928 -18.594 15.312 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.111 -16.964 13.983 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -8.819 -17.764 16.295 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -8.662 -19.418 15.736 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -6.594 -18.785 14.487 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -6.745 -17.145 15.086 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -5.977 -20.481 15.896 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -5.242 -20.144 17.466 1.00 42.31 H new ATOM 907 N GLN A 61 -9.012 -20.125 12.995 1.00 11.51 N ATOM 908 CA GLN A 61 -8.469 -21.012 11.969 1.00 25.23 C ATOM 909 C GLN A 61 -9.080 -20.691 10.609 1.00 25.12 C ATOM 910 O GLN A 61 -8.407 -20.761 9.574 1.00 72.45 O ATOM 911 CB GLN A 61 -8.715 -22.479 12.344 1.00 32.13 C ATOM 912 CG GLN A 61 -8.144 -22.864 13.706 1.00 4.10 C ATOM 913 CD GLN A 61 -6.661 -22.545 13.843 1.00 71.32 C ATOM 914 OE1 GLN A 61 -6.285 -21.451 14.269 1.00 3.32 O ATOM 915 NE2 GLN A 61 -5.810 -23.500 13.499 1.00 15.31 N ATOM 0 H GLN A 61 -9.633 -20.580 13.664 1.00 11.51 H new ATOM 0 HA GLN A 61 -7.393 -20.852 11.906 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -9.788 -22.671 12.341 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -8.274 -23.120 11.580 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -8.696 -22.340 14.486 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -8.297 -23.931 13.869 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -6.159 -24.393 13.150 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -4.806 -23.343 13.583 1.00 15.31 H new ATOM 924 N CYS A 62 -10.350 -20.309 10.624 1.00 12.43 N ATOM 925 CA CYS A 62 -11.065 -19.978 9.403 1.00 63.15 C ATOM 926 C CYS A 62 -10.404 -18.779 8.716 1.00 45.14 C ATOM 927 O CYS A 62 -10.075 -18.837 7.528 1.00 24.33 O ATOM 928 CB CYS A 62 -12.537 -19.686 9.711 1.00 43.44 C ATOM 929 SG CYS A 62 -13.591 -19.604 8.247 1.00 5.43 S ATOM 0 H CYS A 62 -10.907 -20.221 11.474 1.00 12.43 H new ATOM 0 HA CYS A 62 -11.022 -20.831 8.725 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -12.918 -20.459 10.378 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -12.605 -18.740 10.248 1.00 43.44 H new ATOM 0 HG CYS A 62 -14.730 -19.063 8.562 1.00 5.43 H new ATOM 935 N LEU A 63 -10.195 -17.695 9.470 1.00 32.10 N ATOM 936 CA LEU A 63 -9.513 -16.518 8.927 1.00 54.21 C ATOM 937 C LEU A 63 -8.037 -16.835 8.655 1.00 45.12 C ATOM 938 O LEU A 63 -7.454 -16.335 7.690 1.00 0.30 O ATOM 939 CB LEU A 63 -9.684 -15.289 9.851 1.00 51.43 C ATOM 940 CG LEU A 63 -9.133 -15.407 11.291 1.00 12.23 C ATOM 941 CD1 LEU A 63 -7.630 -15.116 11.345 1.00 32.23 C ATOM 942 CD2 LEU A 63 -9.893 -14.477 12.235 1.00 43.32 C ATOM 0 H LEU A 63 -10.484 -17.609 10.444 1.00 32.10 H new ATOM 0 HA LEU A 63 -9.977 -16.258 7.976 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -9.201 -14.437 9.373 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -10.748 -15.059 9.914 1.00 51.43 H new ATOM 0 HG LEU A 63 -9.283 -16.436 11.618 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -7.278 -15.208 12.373 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.099 -15.828 10.714 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -7.442 -14.104 10.987 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -9.491 -14.574 13.243 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -9.782 -13.446 11.898 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -10.949 -14.746 12.238 1.00 43.32 H new ATOM 954 N GLN A 64 -7.453 -17.698 9.492 1.00 23.35 N ATOM 955 CA GLN A 64 -6.053 -18.103 9.342 1.00 61.05 C ATOM 956 C GLN A 64 -5.841 -18.825 8.013 1.00 42.03 C ATOM 957 O GLN A 64 -4.774 -18.757 7.408 1.00 43.03 O ATOM 958 CB GLN A 64 -5.619 -19.007 10.506 1.00 61.12 C ATOM 959 CG GLN A 64 -4.156 -19.444 10.441 1.00 33.54 C ATOM 960 CD GLN A 64 -3.762 -20.377 11.577 1.00 74.01 C ATOM 961 OE1 GLN A 64 -2.898 -21.241 11.415 1.00 25.14 O ATOM 962 NE2 GLN A 64 -4.378 -20.204 12.739 1.00 60.21 N ATOM 0 H GLN A 64 -7.931 -18.131 10.283 1.00 23.35 H new ATOM 0 HA GLN A 64 -5.440 -17.202 9.354 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -5.789 -18.480 11.445 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.252 -19.894 10.519 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -3.974 -19.943 9.489 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -3.518 -18.561 10.466 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -5.088 -19.479 12.837 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -4.141 -20.796 13.535 1.00 60.21 H new ATOM 971 N ARG A 65 -6.865 -19.529 7.566 1.00 40.34 N ATOM 972 CA ARG A 65 -6.817 -20.242 6.329 1.00 13.52 C ATOM 973 C ARG A 65 -6.616 -19.312 5.139 1.00 14.24 C ATOM 974 O ARG A 65 -5.690 -19.502 4.349 1.00 44.41 O ATOM 975 CB ARG A 65 -8.125 -20.987 6.232 1.00 2.22 C ATOM 976 CG ARG A 65 -8.307 -21.799 4.988 1.00 23.32 C ATOM 977 CD ARG A 65 -9.605 -22.553 5.081 1.00 54.45 C ATOM 978 NE ARG A 65 -9.710 -23.308 6.334 1.00 65.22 N ATOM 979 CZ ARG A 65 -10.857 -23.738 6.848 1.00 14.34 C ATOM 980 NH1 ARG A 65 -12.005 -23.465 6.240 1.00 74.43 N ATOM 981 NH2 ARG A 65 -10.861 -24.434 7.976 1.00 73.25 N ATOM 0 H ARG A 65 -7.752 -19.615 8.063 1.00 40.34 H new ATOM 0 HA ARG A 65 -5.966 -20.923 6.306 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -8.212 -21.648 7.094 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -8.940 -20.267 6.299 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.310 -21.150 4.112 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -7.476 -22.494 4.867 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -10.437 -21.853 5.008 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -9.689 -23.237 4.237 1.00 54.45 H new ATOM 0 HE ARG A 65 -8.850 -23.516 6.842 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -12.008 -22.924 5.376 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -12.884 -23.797 6.637 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -9.982 -24.640 8.451 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -11.743 -24.763 8.369 1.00 73.25 H new ATOM 995 N ILE A 66 -7.468 -18.301 5.031 1.00 5.32 N ATOM 996 CA ILE A 66 -7.450 -17.408 3.877 1.00 74.32 C ATOM 997 C ILE A 66 -6.251 -16.471 3.908 1.00 34.13 C ATOM 998 O ILE A 66 -5.684 -16.160 2.852 1.00 70.50 O ATOM 999 CB ILE A 66 -8.757 -16.584 3.762 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -9.112 -15.922 5.105 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -9.891 -17.479 3.278 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -10.317 -15.004 5.045 1.00 42.21 C ATOM 0 H ILE A 66 -8.180 -18.078 5.727 1.00 5.32 H new ATOM 0 HA ILE A 66 -7.369 -18.047 2.998 1.00 74.32 H new ATOM 0 HB ILE A 66 -8.605 -15.787 3.034 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -9.299 -16.702 5.843 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -8.252 -15.352 5.455 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -10.808 -16.894 3.199 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -9.638 -17.891 2.301 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -10.040 -18.293 3.987 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -10.500 -14.578 6.032 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -10.127 -14.201 4.333 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -11.192 -15.572 4.727 1.00 42.21 H new ATOM 1014 N GLU A 67 -5.846 -16.039 5.106 1.00 53.30 N ATOM 1015 CA GLU A 67 -4.703 -15.140 5.224 1.00 71.01 C ATOM 1016 C GLU A 67 -3.471 -15.785 4.600 1.00 51.43 C ATOM 1017 O GLU A 67 -2.782 -15.173 3.793 1.00 55.34 O ATOM 1018 CB GLU A 67 -4.407 -14.756 6.688 1.00 61.10 C ATOM 1019 CG GLU A 67 -3.995 -15.931 7.570 1.00 14.42 C ATOM 1020 CD GLU A 67 -3.164 -15.536 8.782 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -1.937 -15.333 8.620 1.00 24.22 O ATOM 1022 OE2 GLU A 67 -3.716 -15.468 9.901 1.00 43.23 O ATOM 0 H GLU A 67 -6.286 -16.293 5.991 1.00 53.30 H new ATOM 0 HA GLU A 67 -4.955 -14.223 4.691 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -3.613 -14.009 6.703 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -5.294 -14.288 7.116 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -4.892 -16.448 7.911 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -3.427 -16.641 6.969 1.00 14.42 H new ATOM 1029 N GLN A 68 -3.240 -17.055 4.924 1.00 2.11 N ATOM 1030 CA GLN A 68 -2.019 -17.733 4.507 1.00 35.25 C ATOM 1031 C GLN A 68 -2.046 -18.077 3.019 1.00 3.20 C ATOM 1032 O GLN A 68 -1.092 -18.657 2.499 1.00 2.44 O ATOM 1033 CB GLN A 68 -1.807 -19.007 5.332 1.00 75.11 C ATOM 1034 CG GLN A 68 -1.784 -18.769 6.836 1.00 72.43 C ATOM 1035 CD GLN A 68 -1.643 -20.053 7.636 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -2.042 -21.131 7.183 1.00 23.20 O ATOM 1037 NE2 GLN A 68 -1.103 -19.943 8.839 1.00 13.54 N ATOM 0 H GLN A 68 -3.879 -17.631 5.471 1.00 2.11 H new ATOM 0 HA GLN A 68 -1.189 -17.048 4.680 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -2.601 -19.716 5.098 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -0.867 -19.470 5.033 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -0.957 -18.102 7.081 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -2.702 -18.261 7.132 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -0.786 -19.033 9.175 1.00 13.54 H new ATOM 0 HE22 GLN A 68 -1.003 -20.768 9.431 1.00 13.54 H new ATOM 1046 N LEU A 69 -3.133 -17.738 2.327 1.00 70.13 N ATOM 1047 CA LEU A 69 -3.250 -18.083 0.906 1.00 22.31 C ATOM 1048 C LEU A 69 -3.001 -16.878 -0.002 1.00 33.43 C ATOM 1049 O LEU A 69 -1.997 -16.816 -0.714 1.00 63.24 O ATOM 1050 CB LEU A 69 -4.652 -18.642 0.615 1.00 23.42 C ATOM 1051 CG LEU A 69 -5.025 -19.935 1.352 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -6.482 -20.307 1.083 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -4.093 -21.078 0.953 1.00 42.22 C ATOM 0 H LEU A 69 -3.931 -17.235 2.715 1.00 70.13 H new ATOM 0 HA LEU A 69 -2.488 -18.833 0.695 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -5.386 -17.878 0.869 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -4.735 -18.821 -0.457 1.00 23.42 H new ATOM 0 HG LEU A 69 -4.908 -19.761 2.422 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -6.727 -21.227 1.614 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -7.132 -19.504 1.429 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -6.628 -20.456 0.013 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -4.378 -21.984 1.489 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -4.170 -21.252 -0.120 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -3.066 -20.815 1.205 1.00 42.22 H new ATOM 1065 N TRP A 70 -3.929 -15.920 0.043 1.00 4.00 N ATOM 1066 CA TRP A 70 -3.882 -14.738 -0.824 1.00 33.32 C ATOM 1067 C TRP A 70 -3.051 -13.612 -0.211 1.00 14.11 C ATOM 1068 O TRP A 70 -2.097 -13.113 -0.811 1.00 5.44 O ATOM 1069 CB TRP A 70 -5.311 -14.253 -1.124 1.00 44.12 C ATOM 1070 CG TRP A 70 -6.117 -15.220 -1.953 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -5.904 -16.563 -2.093 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -7.270 -14.916 -2.753 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -6.845 -17.109 -2.932 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -7.696 -16.118 -3.350 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -7.979 -13.745 -3.025 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -8.802 -16.181 -4.197 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -9.075 -13.807 -3.867 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -9.477 -15.017 -4.443 1.00 22.44 C ATOM 0 H TRP A 70 -4.729 -15.939 0.676 1.00 4.00 H new ATOM 0 HA TRP A 70 -3.395 -15.026 -1.756 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -5.830 -14.075 -0.182 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -5.259 -13.297 -1.645 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -5.110 -17.116 -1.613 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -6.902 -18.091 -3.200 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -7.677 -12.806 -2.585 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -9.114 -17.114 -4.642 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -9.630 -12.906 -4.083 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -10.338 -15.032 -5.095 1.00 22.44 H new ATOM 1089 N THR A 71 -3.430 -13.242 1.003 1.00 54.12 N ATOM 1090 CA THR A 71 -2.888 -12.080 1.696 1.00 14.01 C ATOM 1091 C THR A 71 -1.551 -12.393 2.366 1.00 15.51 C ATOM 1092 O THR A 71 -0.852 -11.485 2.814 1.00 20.13 O ATOM 1093 CB THR A 71 -3.907 -11.562 2.735 1.00 13.44 C ATOM 1094 OG1 THR A 71 -4.534 -12.675 3.381 1.00 21.02 O ATOM 1095 CG2 THR A 71 -4.979 -10.696 2.080 1.00 55.35 C ATOM 0 H THR A 71 -4.133 -13.747 1.543 1.00 54.12 H new ATOM 0 HA THR A 71 -2.705 -11.302 0.955 1.00 14.01 H new ATOM 0 HB THR A 71 -3.370 -10.953 3.462 1.00 13.44 H new ATOM 0 HG1 THR A 71 -5.375 -12.384 3.792 1.00 21.02 H new ATOM 0 HG21 THR A 71 -5.680 -10.348 2.839 1.00 55.35 H new ATOM 0 HG22 THR A 71 -4.510 -9.838 1.599 1.00 55.35 H new ATOM 0 HG23 THR A 71 -5.515 -11.283 1.334 1.00 55.35 H new ATOM 1103 N ASP A 72 -1.213 -13.683 2.412 1.00 23.54 N ATOM 1104 CA ASP A 72 -0.055 -14.202 3.153 1.00 73.31 C ATOM 1105 C ASP A 72 1.191 -13.327 3.006 1.00 64.32 C ATOM 1106 O ASP A 72 2.049 -13.309 3.890 1.00 42.51 O ATOM 1107 CB ASP A 72 0.277 -15.610 2.666 1.00 14.44 C ATOM 1108 CG ASP A 72 1.456 -16.232 3.406 1.00 72.24 C ATOM 1109 OD1 ASP A 72 1.291 -16.625 4.583 1.00 35.04 O ATOM 1110 OD2 ASP A 72 2.552 -16.339 2.816 1.00 33.45 O ATOM 0 H ASP A 72 -1.742 -14.410 1.929 1.00 23.54 H new ATOM 0 HA ASP A 72 -0.335 -14.205 4.207 1.00 73.31 H new ATOM 0 HB2 ASP A 72 -0.599 -16.247 2.788 1.00 14.44 H new ATOM 0 HB3 ASP A 72 0.501 -15.577 1.600 1.00 14.44 H new ATOM 1115 N MET A 73 1.301 -12.627 1.880 1.00 3.33 N ATOM 1116 CA MET A 73 2.398 -11.686 1.662 1.00 42.30 C ATOM 1117 C MET A 73 2.235 -10.495 2.609 1.00 21.21 C ATOM 1118 O MET A 73 1.830 -9.402 2.202 1.00 61.04 O ATOM 1119 CB MET A 73 2.435 -11.216 0.198 1.00 75.02 C ATOM 1120 CG MET A 73 2.462 -12.356 -0.815 1.00 60.21 C ATOM 1121 SD MET A 73 3.879 -13.452 -0.606 1.00 34.12 S ATOM 1122 CE MET A 73 3.566 -14.653 -1.900 1.00 71.41 C ATOM 0 H MET A 73 0.643 -12.693 1.103 1.00 3.33 H new ATOM 0 HA MET A 73 3.344 -12.186 1.871 1.00 42.30 H new ATOM 0 HB2 MET A 73 1.563 -10.591 0.005 1.00 75.02 H new ATOM 0 HB3 MET A 73 3.315 -10.590 0.050 1.00 75.02 H new ATOM 0 HG2 MET A 73 1.544 -12.937 -0.724 1.00 60.21 H new ATOM 0 HG3 MET A 73 2.477 -11.939 -1.822 1.00 60.21 H new ATOM 0 HE1 MET A 73 4.358 -15.402 -1.901 1.00 71.41 H new ATOM 0 HE2 MET A 73 2.607 -15.139 -1.721 1.00 71.41 H new ATOM 0 HE3 MET A 73 3.542 -14.149 -2.866 1.00 71.41 H new ATOM 1132 N VAL A 74 2.512 -10.744 3.885 1.00 33.41 N ATOM 1133 CA VAL A 74 2.316 -9.766 4.946 1.00 45.22 C ATOM 1134 C VAL A 74 3.524 -8.824 5.059 1.00 1.21 C ATOM 1135 O VAL A 74 4.675 -9.263 4.950 1.00 54.40 O ATOM 1136 CB VAL A 74 2.057 -10.485 6.305 1.00 10.10 C ATOM 1137 CG1 VAL A 74 3.152 -11.510 6.607 1.00 23.42 C ATOM 1138 CG2 VAL A 74 1.922 -9.486 7.457 1.00 71.12 C ATOM 0 H VAL A 74 2.881 -11.637 4.213 1.00 33.41 H new ATOM 0 HA VAL A 74 1.442 -9.165 4.695 1.00 45.22 H new ATOM 0 HB VAL A 74 1.109 -11.015 6.211 1.00 10.10 H new ATOM 0 HG11 VAL A 74 2.944 -11.995 7.561 1.00 23.42 H new ATOM 0 HG12 VAL A 74 3.176 -12.260 5.816 1.00 23.42 H new ATOM 0 HG13 VAL A 74 4.117 -11.006 6.659 1.00 23.42 H new ATOM 0 HG21 VAL A 74 1.742 -10.025 8.387 1.00 71.12 H new ATOM 0 HG22 VAL A 74 2.841 -8.906 7.545 1.00 71.12 H new ATOM 0 HG23 VAL A 74 1.087 -8.814 7.260 1.00 71.12 H new ATOM 1148 N PRO A 75 3.273 -7.507 5.238 1.00 55.42 N ATOM 1149 CA PRO A 75 4.334 -6.507 5.418 1.00 60.35 C ATOM 1150 C PRO A 75 5.025 -6.639 6.783 1.00 72.13 C ATOM 1151 O PRO A 75 4.966 -7.695 7.419 1.00 1.32 O ATOM 1152 CB PRO A 75 3.593 -5.154 5.307 1.00 71.04 C ATOM 1153 CG PRO A 75 2.220 -5.481 4.811 1.00 45.31 C ATOM 1154 CD PRO A 75 1.938 -6.886 5.258 1.00 22.00 C ATOM 0 HA PRO A 75 5.130 -6.622 4.682 1.00 60.35 H new ATOM 0 HB2 PRO A 75 3.550 -4.651 6.273 1.00 71.04 H new ATOM 0 HB3 PRO A 75 4.107 -4.482 4.620 1.00 71.04 H new ATOM 0 HG2 PRO A 75 1.484 -4.788 5.218 1.00 45.31 H new ATOM 0 HG3 PRO A 75 2.169 -5.400 3.725 1.00 45.31 H new ATOM 0 HD2 PRO A 75 1.494 -6.913 6.253 1.00 22.00 H new ATOM 0 HD3 PRO A 75 1.246 -7.393 4.586 1.00 22.00 H new ATOM 1162 N ALA A 76 5.656 -5.553 7.240 1.00 51.25 N ATOM 1163 CA ALA A 76 6.393 -5.544 8.508 1.00 24.45 C ATOM 1164 C ALA A 76 5.494 -5.934 9.680 1.00 43.13 C ATOM 1165 O ALA A 76 5.977 -6.275 10.761 1.00 43.44 O ATOM 1166 CB ALA A 76 6.995 -4.170 8.756 1.00 60.32 C ATOM 0 H ALA A 76 5.671 -4.661 6.746 1.00 51.25 H new ATOM 0 HA ALA A 76 7.192 -6.282 8.432 1.00 24.45 H new ATOM 0 HB1 ALA A 76 7.539 -4.176 9.700 1.00 60.32 H new ATOM 0 HB2 ALA A 76 7.679 -3.920 7.945 1.00 60.32 H new ATOM 0 HB3 ALA A 76 6.199 -3.427 8.801 1.00 60.32 H new ATOM 1172 N SER A 77 4.189 -5.878 9.448 1.00 71.53 N ATOM 1173 CA SER A 77 3.196 -6.232 10.450 1.00 24.45 C ATOM 1174 C SER A 77 3.497 -7.597 11.086 1.00 52.41 C ATOM 1175 O SER A 77 3.229 -7.812 12.274 1.00 1.13 O ATOM 1176 CB SER A 77 1.818 -6.245 9.795 1.00 43.23 C ATOM 1177 OG SER A 77 1.592 -5.051 9.066 1.00 75.44 O ATOM 0 H SER A 77 3.790 -5.585 8.556 1.00 71.53 H new ATOM 0 HA SER A 77 3.224 -5.490 11.248 1.00 24.45 H new ATOM 0 HB2 SER A 77 1.736 -7.104 9.128 1.00 43.23 H new ATOM 0 HB3 SER A 77 1.049 -6.360 10.559 1.00 43.23 H new ATOM 0 HG SER A 77 1.053 -4.436 9.605 1.00 75.44 H new ATOM 1183 N VAL A 78 4.066 -8.508 10.293 1.00 50.43 N ATOM 1184 CA VAL A 78 4.424 -9.840 10.780 1.00 1.34 C ATOM 1185 C VAL A 78 5.486 -9.745 11.879 1.00 72.15 C ATOM 1186 O VAL A 78 5.478 -10.516 12.842 1.00 61.33 O ATOM 1187 CB VAL A 78 4.933 -10.753 9.627 1.00 12.41 C ATOM 1188 CG1 VAL A 78 6.219 -10.204 9.008 1.00 13.13 C ATOM 1189 CG2 VAL A 78 5.121 -12.193 10.113 1.00 22.14 C ATOM 0 H VAL A 78 4.288 -8.346 9.311 1.00 50.43 H new ATOM 0 HA VAL A 78 3.521 -10.289 11.194 1.00 1.34 H new ATOM 0 HB VAL A 78 4.172 -10.759 8.846 1.00 12.41 H new ATOM 0 HG11 VAL A 78 6.548 -10.865 8.206 1.00 13.13 H new ATOM 0 HG12 VAL A 78 6.033 -9.209 8.605 1.00 13.13 H new ATOM 0 HG13 VAL A 78 6.995 -10.146 9.772 1.00 13.13 H new ATOM 0 HG21 VAL A 78 5.477 -12.811 9.289 1.00 22.14 H new ATOM 0 HG22 VAL A 78 5.851 -12.211 10.922 1.00 22.14 H new ATOM 0 HG23 VAL A 78 4.169 -12.582 10.474 1.00 22.14 H new ATOM 1199 N ARG A 79 6.390 -8.777 11.726 1.00 61.45 N ATOM 1200 CA ARG A 79 7.448 -8.536 12.700 1.00 14.22 C ATOM 1201 C ARG A 79 6.871 -7.883 13.949 1.00 51.30 C ATOM 1202 O ARG A 79 7.213 -8.245 15.074 1.00 43.03 O ATOM 1203 CB ARG A 79 8.532 -7.630 12.101 1.00 63.44 C ATOM 1204 CG ARG A 79 9.209 -8.197 10.857 1.00 63.40 C ATOM 1205 CD ARG A 79 9.973 -9.487 11.149 1.00 74.44 C ATOM 1206 NE ARG A 79 10.864 -9.369 12.309 1.00 53.13 N ATOM 1207 CZ ARG A 79 11.925 -8.558 12.380 1.00 42.11 C ATOM 1208 NH1 ARG A 79 12.212 -7.723 11.391 1.00 73.33 N ATOM 1209 NH2 ARG A 79 12.691 -8.572 13.462 1.00 64.44 N ATOM 0 H ARG A 79 6.408 -8.143 10.927 1.00 61.45 H new ATOM 0 HA ARG A 79 7.894 -9.494 12.967 1.00 14.22 H new ATOM 0 HB2 ARG A 79 8.086 -6.667 11.851 1.00 63.44 H new ATOM 0 HB3 ARG A 79 9.292 -7.442 12.860 1.00 63.44 H new ATOM 0 HG2 ARG A 79 8.456 -8.388 10.092 1.00 63.40 H new ATOM 0 HG3 ARG A 79 9.896 -7.455 10.450 1.00 63.40 H new ATOM 0 HD2 ARG A 79 9.261 -10.294 11.324 1.00 74.44 H new ATOM 0 HD3 ARG A 79 10.559 -9.763 10.273 1.00 74.44 H new ATOM 0 HE ARG A 79 10.659 -9.949 13.122 1.00 53.13 H new ATOM 0 HH11 ARG A 79 11.620 -7.693 10.561 1.00 73.33 H new ATOM 0 HH12 ARG A 79 13.025 -7.111 11.460 1.00 73.33 H new ATOM 0 HH21 ARG A 79 12.470 -9.199 14.235 1.00 64.44 H new ATOM 0 HH22 ARG A 79 13.501 -7.955 13.521 1.00 64.44 H new ATOM 1223 N GLU A 80 5.986 -6.916 13.728 1.00 45.44 N ATOM 1224 CA GLU A 80 5.366 -6.158 14.815 1.00 22.12 C ATOM 1225 C GLU A 80 4.590 -7.080 15.757 1.00 4.33 C ATOM 1226 O GLU A 80 4.455 -6.796 16.948 1.00 13.03 O ATOM 1227 CB GLU A 80 4.436 -5.083 14.240 1.00 62.53 C ATOM 1228 CG GLU A 80 5.121 -4.135 13.262 1.00 73.11 C ATOM 1229 CD GLU A 80 6.273 -3.365 13.892 1.00 33.40 C ATOM 1230 OE1 GLU A 80 6.022 -2.306 14.506 1.00 33.42 O ATOM 1231 OE2 GLU A 80 7.436 -3.811 13.775 1.00 51.44 O ATOM 0 H GLU A 80 5.678 -6.635 12.797 1.00 45.44 H new ATOM 0 HA GLU A 80 6.157 -5.677 15.390 1.00 22.12 H new ATOM 0 HB2 GLU A 80 3.602 -5.570 13.735 1.00 62.53 H new ATOM 0 HB3 GLU A 80 4.016 -4.502 15.061 1.00 62.53 H new ATOM 0 HG2 GLU A 80 5.494 -4.706 12.412 1.00 73.11 H new ATOM 0 HG3 GLU A 80 4.387 -3.428 12.874 1.00 73.11 H new ATOM 1238 N HIS A 81 4.090 -8.190 15.216 1.00 54.53 N ATOM 1239 CA HIS A 81 3.376 -9.186 16.014 1.00 0.23 C ATOM 1240 C HIS A 81 4.293 -9.810 17.064 1.00 2.25 C ATOM 1241 O HIS A 81 3.825 -10.352 18.062 1.00 34.22 O ATOM 1242 CB HIS A 81 2.803 -10.290 15.112 1.00 32.20 C ATOM 1243 CG HIS A 81 2.157 -11.421 15.868 1.00 2.42 C ATOM 1244 ND1 HIS A 81 1.084 -11.248 16.722 1.00 13.53 N ATOM 1245 CD2 HIS A 81 2.445 -12.749 15.901 1.00 0.35 C ATOM 1246 CE1 HIS A 81 0.746 -12.414 17.241 1.00 43.44 C ATOM 1247 NE2 HIS A 81 1.552 -13.337 16.761 1.00 2.53 N ATOM 0 H HIS A 81 4.166 -8.423 14.226 1.00 54.53 H new ATOM 0 HA HIS A 81 2.558 -8.676 16.523 1.00 0.23 H new ATOM 0 HB2 HIS A 81 2.068 -9.850 14.438 1.00 32.20 H new ATOM 0 HB3 HIS A 81 3.604 -10.691 14.492 1.00 32.20 H new ATOM 0 HD2 HIS A 81 3.230 -13.248 15.353 1.00 0.35 H new ATOM 0 HE1 HIS A 81 -0.058 -12.582 17.942 1.00 43.44 H new ATOM 0 HE2 HIS A 81 1.518 -14.330 16.991 1.00 2.53 H new ATOM 1256 N LEU A 82 5.599 -9.733 16.830 1.00 52.02 N ATOM 1257 CA LEU A 82 6.577 -10.357 17.712 1.00 15.11 C ATOM 1258 C LEU A 82 7.102 -9.344 18.737 1.00 65.10 C ATOM 1259 O LEU A 82 8.055 -9.615 19.472 1.00 73.43 O ATOM 1260 CB LEU A 82 7.723 -10.944 16.874 1.00 12.10 C ATOM 1261 CG LEU A 82 8.518 -12.071 17.547 1.00 72.24 C ATOM 1262 CD1 LEU A 82 7.592 -13.221 17.938 1.00 41.43 C ATOM 1263 CD2 LEU A 82 9.633 -12.565 16.626 1.00 53.35 C ATOM 0 H LEU A 82 6.005 -9.242 16.033 1.00 52.02 H new ATOM 0 HA LEU A 82 6.099 -11.166 18.264 1.00 15.11 H new ATOM 0 HB2 LEU A 82 7.310 -11.322 15.938 1.00 12.10 H new ATOM 0 HB3 LEU A 82 8.412 -10.139 16.617 1.00 12.10 H new ATOM 0 HG LEU A 82 8.974 -11.676 18.455 1.00 72.24 H new ATOM 0 HD11 LEU A 82 8.173 -14.011 18.414 1.00 41.43 H new ATOM 0 HD12 LEU A 82 6.835 -12.858 18.634 1.00 41.43 H new ATOM 0 HD13 LEU A 82 7.106 -13.616 17.046 1.00 41.43 H new ATOM 0 HD21 LEU A 82 10.186 -13.364 17.120 1.00 53.35 H new ATOM 0 HD22 LEU A 82 9.199 -12.943 15.700 1.00 53.35 H new ATOM 0 HD23 LEU A 82 10.310 -11.741 16.400 1.00 53.35 H new ATOM 1275 N ASN A 83 6.466 -8.174 18.779 1.00 23.21 N ATOM 1276 CA ASN A 83 6.788 -7.142 19.766 1.00 34.30 C ATOM 1277 C ASN A 83 5.737 -7.175 20.880 1.00 64.54 C ATOM 1278 O ASN A 83 4.756 -6.429 20.849 1.00 24.35 O ATOM 1279 CB ASN A 83 6.845 -5.757 19.089 1.00 5.33 C ATOM 1280 CG ASN A 83 7.294 -4.641 20.022 1.00 13.22 C ATOM 1281 OD1 ASN A 83 8.014 -4.874 20.995 1.00 20.11 O ATOM 1282 ND2 ASN A 83 6.899 -3.410 19.715 1.00 42.20 N ATOM 0 H ASN A 83 5.718 -7.915 18.135 1.00 23.21 H new ATOM 0 HA ASN A 83 7.768 -7.335 20.201 1.00 34.30 H new ATOM 0 HB2 ASN A 83 7.526 -5.805 18.239 1.00 5.33 H new ATOM 0 HB3 ASN A 83 5.859 -5.514 18.694 1.00 5.33 H new ATOM 0 HD21 ASN A 83 7.192 -2.622 20.292 1.00 42.20 H new ATOM 0 HD22 ASN A 83 6.303 -3.253 18.902 1.00 42.20 H new ATOM 1289 N GLN A 84 5.937 -8.077 21.844 1.00 54.12 N ATOM 1290 CA GLN A 84 4.940 -8.363 22.884 1.00 32.44 C ATOM 1291 C GLN A 84 4.758 -7.198 23.865 1.00 35.52 C ATOM 1292 O GLN A 84 5.313 -7.213 24.967 1.00 62.41 O ATOM 1293 CB GLN A 84 5.312 -9.645 23.660 1.00 74.55 C ATOM 1294 CG GLN A 84 5.055 -10.952 22.911 1.00 74.02 C ATOM 1295 CD GLN A 84 5.736 -11.007 21.558 1.00 54.40 C ATOM 1296 OE1 GLN A 84 5.145 -10.648 20.543 1.00 71.43 O ATOM 1297 NE2 GLN A 84 6.987 -11.441 21.539 1.00 3.04 N ATOM 0 H GLN A 84 6.791 -8.629 21.928 1.00 54.12 H new ATOM 0 HA GLN A 84 3.990 -8.510 22.369 1.00 32.44 H new ATOM 0 HB2 GLN A 84 6.368 -9.597 23.925 1.00 74.55 H new ATOM 0 HB3 GLN A 84 4.750 -9.662 24.594 1.00 74.55 H new ATOM 0 HG2 GLN A 84 5.402 -11.787 23.520 1.00 74.02 H new ATOM 0 HG3 GLN A 84 3.981 -11.081 22.776 1.00 74.02 H new ATOM 0 HE21 GLN A 84 7.440 -11.730 22.406 1.00 3.04 H new ATOM 0 HE22 GLN A 84 7.498 -11.487 20.657 1.00 3.04 H new ATOM 1306 N HIS A 85 4.005 -6.187 23.436 1.00 50.13 N ATOM 1307 CA HIS A 85 3.534 -5.110 24.312 1.00 23.14 C ATOM 1308 C HIS A 85 2.759 -4.090 23.484 1.00 22.41 C ATOM 1309 O HIS A 85 3.183 -3.721 22.384 1.00 2.45 O ATOM 1310 CB HIS A 85 4.679 -4.421 25.086 1.00 52.30 C ATOM 1311 CG HIS A 85 5.534 -3.491 24.275 1.00 34.32 C ATOM 1312 ND1 HIS A 85 5.556 -2.128 24.481 1.00 73.50 N ATOM 1313 CD2 HIS A 85 6.417 -3.729 23.278 1.00 52.32 C ATOM 1314 CE1 HIS A 85 6.410 -1.571 23.648 1.00 52.11 C ATOM 1315 NE2 HIS A 85 6.950 -2.518 22.906 1.00 52.35 N ATOM 0 H HIS A 85 3.702 -6.089 22.467 1.00 50.13 H new ATOM 0 HA HIS A 85 2.882 -5.557 25.063 1.00 23.14 H new ATOM 0 HB2 HIS A 85 4.248 -3.861 25.916 1.00 52.30 H new ATOM 0 HB3 HIS A 85 5.318 -5.191 25.518 1.00 52.30 H new ATOM 0 HD1 HIS A 85 4.997 -1.628 25.172 1.00 73.50 H new ATOM 0 HD2 HIS A 85 6.658 -4.692 22.853 1.00 52.32 H new ATOM 0 HE1 HIS A 85 6.631 -0.516 23.583 1.00 52.11 H new ATOM 1324 N SER A 86 1.617 -3.654 24.006 1.00 2.41 N ATOM 1325 CA SER A 86 0.746 -2.727 23.294 1.00 53.33 C ATOM 1326 C SER A 86 1.405 -1.352 23.173 1.00 3.22 C ATOM 1327 O SER A 86 1.227 -0.479 24.028 1.00 51.12 O ATOM 1328 CB SER A 86 -0.611 -2.614 24.005 1.00 53.13 C ATOM 1329 OG SER A 86 -1.506 -1.784 23.283 1.00 2.23 O ATOM 0 H SER A 86 1.272 -3.930 24.925 1.00 2.41 H new ATOM 0 HA SER A 86 0.579 -3.115 22.289 1.00 53.33 H new ATOM 0 HB2 SER A 86 -1.046 -3.607 24.121 1.00 53.13 H new ATOM 0 HB3 SER A 86 -0.466 -2.210 25.007 1.00 53.13 H new ATOM 0 HG SER A 86 -2.361 -1.733 23.759 1.00 2.23 H new ATOM 1335 N GLY A 87 2.200 -1.185 22.122 1.00 74.42 N ATOM 1336 CA GLY A 87 2.851 0.084 21.862 1.00 31.33 C ATOM 1337 C GLY A 87 2.024 0.956 20.938 1.00 32.32 C ATOM 1338 O GLY A 87 1.319 0.432 20.070 1.00 53.13 O ATOM 0 H GLY A 87 2.406 -1.914 21.440 1.00 74.42 H new ATOM 0 HA2 GLY A 87 3.019 0.607 22.803 1.00 31.33 H new ATOM 0 HA3 GLY A 87 3.830 -0.093 21.417 1.00 31.33 H new ATOM 1342 N PRO A 88 2.077 2.291 21.109 1.00 70.20 N ATOM 1343 CA PRO A 88 1.324 3.235 20.270 1.00 73.53 C ATOM 1344 C PRO A 88 1.567 3.002 18.776 1.00 3.41 C ATOM 1345 O PRO A 88 2.649 3.293 18.255 1.00 45.03 O ATOM 1346 CB PRO A 88 1.856 4.607 20.712 1.00 5.34 C ATOM 1347 CG PRO A 88 2.325 4.389 22.111 1.00 11.52 C ATOM 1348 CD PRO A 88 2.872 2.988 22.141 1.00 42.10 C ATOM 0 HA PRO A 88 0.246 3.130 20.394 1.00 73.53 H new ATOM 0 HB2 PRO A 88 2.668 4.944 20.068 1.00 5.34 H new ATOM 0 HB3 PRO A 88 1.077 5.368 20.668 1.00 5.34 H new ATOM 0 HG2 PRO A 88 3.091 5.115 22.385 1.00 11.52 H new ATOM 0 HG3 PRO A 88 1.507 4.505 22.821 1.00 11.52 H new ATOM 0 HD2 PRO A 88 3.937 2.967 21.911 1.00 42.10 H new ATOM 0 HD3 PRO A 88 2.749 2.529 23.122 1.00 42.10 H new ATOM 1356 N GLY A 89 0.565 2.441 18.114 1.00 45.11 N ATOM 1357 CA GLY A 89 0.660 2.118 16.705 1.00 73.43 C ATOM 1358 C GLY A 89 -0.260 0.970 16.357 1.00 22.31 C ATOM 1359 O GLY A 89 -1.128 1.100 15.492 1.00 11.13 O ATOM 0 H GLY A 89 -0.330 2.200 18.539 1.00 45.11 H new ATOM 0 HA2 GLY A 89 0.401 2.992 16.108 1.00 73.43 H new ATOM 0 HA3 GLY A 89 1.688 1.855 16.455 1.00 73.43 H new ATOM 1363 N ILE A 90 -0.069 -0.146 17.067 1.00 5.14 N ATOM 1364 CA ILE A 90 -0.917 -1.337 16.944 1.00 21.42 C ATOM 1365 C ILE A 90 -1.142 -1.739 15.479 1.00 23.35 C ATOM 1366 O ILE A 90 -2.150 -1.378 14.863 1.00 33.33 O ATOM 1367 CB ILE A 90 -2.283 -1.133 17.657 1.00 44.04 C ATOM 1368 CG1 ILE A 90 -2.058 -0.687 19.114 1.00 14.02 C ATOM 1369 CG2 ILE A 90 -3.123 -2.413 17.606 1.00 43.22 C ATOM 1370 CD1 ILE A 90 -3.335 -0.404 19.879 1.00 22.10 C ATOM 0 H ILE A 90 0.683 -0.250 17.748 1.00 5.14 H new ATOM 0 HA ILE A 90 -0.383 -2.150 17.435 1.00 21.42 H new ATOM 0 HB ILE A 90 -2.833 -0.351 17.133 1.00 44.04 H new ATOM 0 HG12 ILE A 90 -1.498 -1.462 19.637 1.00 14.02 H new ATOM 0 HG13 ILE A 90 -1.439 0.210 19.116 1.00 14.02 H new ATOM 0 HG21 ILE A 90 -4.074 -2.245 18.112 1.00 43.22 H new ATOM 0 HG22 ILE A 90 -3.308 -2.686 16.567 1.00 43.22 H new ATOM 0 HG23 ILE A 90 -2.586 -3.221 18.103 1.00 43.22 H new ATOM 0 HD11 ILE A 90 -3.090 -0.096 20.895 1.00 22.10 H new ATOM 0 HD12 ILE A 90 -3.888 0.393 19.382 1.00 22.10 H new ATOM 0 HD13 ILE A 90 -3.947 -1.305 19.911 1.00 22.10 H new ATOM 1382 N ASP A 91 -0.184 -2.473 14.924 1.00 1.23 N ATOM 1383 CA ASP A 91 -0.270 -2.967 13.550 1.00 74.51 C ATOM 1384 C ASP A 91 0.114 -4.445 13.540 1.00 2.04 C ATOM 1385 O ASP A 91 1.185 -4.809 14.032 1.00 62.54 O ATOM 1386 CB ASP A 91 0.665 -2.159 12.631 1.00 44.12 C ATOM 1387 CG ASP A 91 0.348 -2.316 11.145 1.00 15.41 C ATOM 1388 OD1 ASP A 91 0.019 -3.433 10.709 1.00 24.45 O ATOM 1389 OD2 ASP A 91 0.429 -1.305 10.402 1.00 43.31 O ATOM 0 H ASP A 91 0.672 -2.743 15.409 1.00 1.23 H new ATOM 0 HA ASP A 91 -1.288 -2.850 13.177 1.00 74.51 H new ATOM 0 HB2 ASP A 91 0.601 -1.104 12.898 1.00 44.12 H new ATOM 0 HB3 ASP A 91 1.694 -2.471 12.809 1.00 44.12 H new ATOM 1394 N TYR A 92 -0.757 -5.295 13.003 1.00 33.23 N ATOM 1395 CA TYR A 92 -0.566 -6.744 13.086 1.00 55.10 C ATOM 1396 C TYR A 92 -0.869 -7.436 11.752 1.00 54.42 C ATOM 1397 O TYR A 92 -1.064 -6.774 10.732 1.00 72.11 O ATOM 1398 CB TYR A 92 -1.435 -7.322 14.217 1.00 14.33 C ATOM 1399 CG TYR A 92 -0.947 -6.938 15.604 1.00 5.32 C ATOM 1400 CD1 TYR A 92 0.162 -7.564 16.163 1.00 64.52 C ATOM 1401 CD2 TYR A 92 -1.584 -5.950 16.351 1.00 74.10 C ATOM 1402 CE1 TYR A 92 0.620 -7.221 17.420 1.00 43.34 C ATOM 1403 CE2 TYR A 92 -1.131 -5.604 17.612 1.00 61.43 C ATOM 1404 CZ TYR A 92 -0.026 -6.241 18.139 1.00 34.30 C ATOM 1405 OH TYR A 92 0.433 -5.901 19.392 1.00 4.12 O ATOM 0 H TYR A 92 -1.601 -5.009 12.506 1.00 33.23 H new ATOM 0 HA TYR A 92 0.483 -6.935 13.312 1.00 55.10 H new ATOM 0 HB2 TYR A 92 -2.461 -6.976 14.091 1.00 14.33 H new ATOM 0 HB3 TYR A 92 -1.453 -8.409 14.133 1.00 14.33 H new ATOM 0 HD1 TYR A 92 0.675 -8.333 15.604 1.00 64.52 H new ATOM 0 HD2 TYR A 92 -2.446 -5.446 15.939 1.00 74.10 H new ATOM 0 HE1 TYR A 92 1.482 -7.720 17.837 1.00 43.34 H new ATOM 0 HE2 TYR A 92 -1.640 -4.840 18.181 1.00 61.43 H new ATOM 0 HH TYR A 92 -0.131 -5.193 19.766 1.00 4.12 H new ATOM 1415 N ALA A 93 -0.899 -8.774 11.783 1.00 11.13 N ATOM 1416 CA ALA A 93 -1.012 -9.605 10.578 1.00 53.10 C ATOM 1417 C ALA A 93 -2.263 -9.289 9.754 1.00 2.23 C ATOM 1418 O ALA A 93 -3.161 -8.575 10.204 1.00 73.52 O ATOM 1419 CB ALA A 93 -0.994 -11.080 10.967 1.00 75.12 C ATOM 0 H ALA A 93 -0.845 -9.313 12.648 1.00 11.13 H new ATOM 0 HA ALA A 93 -0.155 -9.376 9.945 1.00 53.10 H new ATOM 0 HB1 ALA A 93 -1.078 -11.694 10.070 1.00 75.12 H new ATOM 0 HB2 ALA A 93 -0.059 -11.310 11.478 1.00 75.12 H new ATOM 0 HB3 ALA A 93 -1.832 -11.291 11.631 1.00 75.12 H new ATOM 1425 N VAL A 94 -2.311 -9.856 8.552 1.00 65.13 N ATOM 1426 CA VAL A 94 -3.378 -9.583 7.591 1.00 73.34 C ATOM 1427 C VAL A 94 -4.314 -10.787 7.476 1.00 64.21 C ATOM 1428 O VAL A 94 -3.902 -11.924 7.705 1.00 24.50 O ATOM 1429 CB VAL A 94 -2.786 -9.245 6.191 1.00 52.51 C ATOM 1430 CG1 VAL A 94 -2.000 -10.433 5.620 1.00 75.41 C ATOM 1431 CG2 VAL A 94 -3.885 -8.798 5.224 1.00 41.25 C ATOM 0 H VAL A 94 -1.612 -10.518 8.216 1.00 65.13 H new ATOM 0 HA VAL A 94 -3.944 -8.723 7.951 1.00 73.34 H new ATOM 0 HB VAL A 94 -2.090 -8.415 6.315 1.00 52.51 H new ATOM 0 HG11 VAL A 94 -1.599 -10.167 4.642 1.00 75.41 H new ATOM 0 HG12 VAL A 94 -1.180 -10.684 6.293 1.00 75.41 H new ATOM 0 HG13 VAL A 94 -2.662 -11.293 5.519 1.00 75.41 H new ATOM 0 HG21 VAL A 94 -3.445 -8.568 4.254 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -4.617 -9.598 5.110 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -4.378 -7.909 5.619 1.00 41.25 H new ATOM 1441 N ARG A 95 -5.572 -10.529 7.133 1.00 64.15 N ATOM 1442 CA ARG A 95 -6.556 -11.586 6.909 1.00 53.51 C ATOM 1443 C ARG A 95 -7.345 -11.305 5.624 1.00 63.34 C ATOM 1444 O ARG A 95 -7.073 -11.966 4.605 1.00 22.32 O ATOM 1445 CB ARG A 95 -7.505 -11.725 8.119 1.00 22.34 C ATOM 1446 CG ARG A 95 -8.121 -10.406 8.588 1.00 23.40 C ATOM 1447 CD ARG A 95 -9.275 -10.620 9.562 1.00 44.34 C ATOM 1448 NE ARG A 95 -9.912 -9.352 9.931 1.00 74.54 N ATOM 1449 CZ ARG A 95 -10.771 -8.686 9.150 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -11.086 -9.143 7.940 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -11.309 -7.553 9.575 1.00 42.22 N ATOM 1452 OXT ARG A 95 -8.213 -10.402 5.632 1.00 0.00 O ATOM 0 H ARG A 95 -5.938 -9.586 7.003 1.00 64.15 H new ATOM 0 HA ARG A 95 -6.028 -12.532 6.794 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -8.307 -12.416 7.860 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -6.956 -12.171 8.948 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -7.353 -9.799 9.066 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -8.477 -9.846 7.723 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -10.015 -11.282 9.111 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -8.907 -11.118 10.459 1.00 44.34 H new ATOM 0 HE ARG A 95 -9.686 -8.952 10.842 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -10.671 -10.010 7.598 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -11.742 -8.626 7.354 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -11.069 -7.189 10.497 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -11.964 -7.045 8.980 1.00 42.22 H new TER 1466 ARG A 95