USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 641 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 79 GLN :FLIP amide:sc= -0.171 F(o=-0.94,f=-0.17) USER MOD Set 1.2: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.1!) USER MOD Single : A 80 ASN : amide:sc= -1.95 K(o=-1.9,f=-3!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.912 X(o=-0.91,f=-0.62) USER MOD Single : A 98 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -2.04 K(o=-2,f=-4.5!) USER MOD Single : A 103 LYS NZ :NH3+ 177:sc= -0.727 (180deg=-0.737) USER MOD Single : A 107 SER OG : rot 180:sc= -0.957 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 91:sc= 1.28 USER MOD Single : A 119 CYS SG : rot -110:sc= -0.176 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.98 K(o=-0.98,f=-5.1!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 60 4.118 -7.800 -6.709 1.00 0.00 N ATOM 2 CA LYS A 60 3.229 -8.424 -7.682 1.00 0.00 C ATOM 3 C LYS A 60 3.047 -7.531 -8.904 1.00 0.00 C ATOM 4 O LYS A 60 1.947 -7.422 -9.446 1.00 0.00 O ATOM 5 CB LYS A 60 1.869 -8.720 -7.045 1.00 0.00 C ATOM 6 CG LYS A 60 1.943 -9.680 -5.870 1.00 0.00 C ATOM 7 CD LYS A 60 1.820 -11.125 -6.322 1.00 0.00 C ATOM 8 CE LYS A 60 3.182 -11.738 -6.610 1.00 0.00 C ATOM 9 NZ LYS A 60 3.105 -13.218 -6.753 1.00 0.00 N ATOM 0 HA LYS A 60 3.684 -9.361 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.422 -7.784 -6.711 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.205 -9.137 -7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.888 -9.541 -5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.148 -9.451 -5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.314 -11.706 -5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.201 -11.176 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.589 -11.306 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.871 -11.486 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.053 -13.598 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.741 -13.633 -5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.467 -13.458 -7.539 1.00 0.00 H new ATOM 23 N GLU A 61 4.132 -6.894 -9.334 1.00 0.00 N ATOM 24 CA GLU A 61 4.090 -6.011 -10.493 1.00 0.00 C ATOM 25 C GLU A 61 5.488 -5.515 -10.851 1.00 0.00 C ATOM 26 O GLU A 61 6.472 -5.873 -10.202 1.00 0.00 O ATOM 27 CB GLU A 61 3.169 -4.820 -10.221 1.00 0.00 C ATOM 28 CG GLU A 61 3.385 -4.181 -8.859 1.00 0.00 C ATOM 29 CD GLU A 61 3.059 -2.700 -8.851 1.00 0.00 C ATOM 30 OE1 GLU A 61 1.891 -2.351 -8.585 1.00 0.00 O ATOM 31 OE2 GLU A 61 3.975 -1.891 -9.110 1.00 0.00 O ATOM 0 H GLU A 61 5.050 -6.973 -8.897 1.00 0.00 H new ATOM 0 HA GLU A 61 3.698 -6.580 -11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.324 -4.068 -10.994 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.132 -5.148 -10.299 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.765 -4.690 -8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.422 -4.322 -8.556 1.00 0.00 H new ATOM 38 N THR A 62 5.569 -4.688 -11.889 1.00 0.00 N ATOM 39 CA THR A 62 6.845 -4.144 -12.335 1.00 0.00 C ATOM 40 C THR A 62 7.607 -3.509 -11.177 1.00 0.00 C ATOM 41 O THR A 62 7.020 -2.834 -10.331 1.00 0.00 O ATOM 42 CB THR A 62 6.651 -3.094 -13.445 1.00 0.00 C ATOM 43 OG1 THR A 62 5.676 -2.127 -13.040 1.00 0.00 O ATOM 44 CG2 THR A 62 6.210 -3.754 -14.743 1.00 0.00 C ATOM 0 H THR A 62 4.765 -4.381 -12.436 1.00 0.00 H new ATOM 0 HA THR A 62 7.423 -4.979 -12.732 1.00 0.00 H new ATOM 0 HB THR A 62 7.606 -2.597 -13.615 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.560 -1.462 -13.751 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.079 -2.993 -15.512 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.968 -4.468 -15.064 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.266 -4.275 -14.584 1.00 0.00 H new ATOM 52 N VAL A 63 8.918 -3.728 -11.146 1.00 0.00 N ATOM 53 CA VAL A 63 9.760 -3.175 -10.092 1.00 0.00 C ATOM 54 C VAL A 63 9.787 -1.652 -10.153 1.00 0.00 C ATOM 55 O VAL A 63 9.568 -1.043 -11.200 1.00 0.00 O ATOM 56 CB VAL A 63 11.203 -3.707 -10.190 1.00 0.00 C ATOM 57 CG1 VAL A 63 11.264 -5.165 -9.763 1.00 0.00 C ATOM 58 CG2 VAL A 63 11.739 -3.534 -11.603 1.00 0.00 C ATOM 0 H VAL A 63 9.420 -4.284 -11.838 1.00 0.00 H new ATOM 0 HA VAL A 63 9.327 -3.490 -9.143 1.00 0.00 H new ATOM 0 HB VAL A 63 11.832 -3.128 -9.514 1.00 0.00 H new ATOM 0 HG11 VAL A 63 12.291 -5.524 -9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.923 -5.257 -8.732 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.623 -5.761 -10.412 1.00 0.00 H new ATOM 0 HG21 VAL A 63 12.759 -3.915 -11.654 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.110 -4.086 -12.301 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.733 -2.477 -11.868 1.00 0.00 H new ATOM 68 N PRO A 64 10.061 -1.019 -9.002 1.00 0.00 N ATOM 69 CA PRO A 64 10.124 0.442 -8.898 1.00 0.00 C ATOM 70 C PRO A 64 11.335 1.023 -9.621 1.00 0.00 C ATOM 71 O PRO A 64 12.031 0.318 -10.351 1.00 0.00 O ATOM 72 CB PRO A 64 10.233 0.686 -7.391 1.00 0.00 C ATOM 73 CG PRO A 64 10.841 -0.562 -6.849 1.00 0.00 C ATOM 74 CD PRO A 64 10.332 -1.681 -7.715 1.00 0.00 C ATOM 0 HA PRO A 64 9.261 0.921 -9.360 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.854 1.555 -7.174 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.255 0.875 -6.949 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.929 -0.510 -6.878 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.557 -0.714 -5.808 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.070 -2.476 -7.820 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.432 -2.134 -7.299 1.00 0.00 H new ATOM 82 N TYR A 65 11.580 2.312 -9.412 1.00 0.00 N ATOM 83 CA TYR A 65 12.706 2.988 -10.045 1.00 0.00 C ATOM 84 C TYR A 65 13.829 3.233 -9.042 1.00 0.00 C ATOM 85 O TYR A 65 14.998 3.324 -9.414 1.00 0.00 O ATOM 86 CB TYR A 65 12.253 4.316 -10.655 1.00 0.00 C ATOM 87 CG TYR A 65 11.778 4.195 -12.085 1.00 0.00 C ATOM 88 CD1 TYR A 65 10.563 3.592 -12.386 1.00 0.00 C ATOM 89 CD2 TYR A 65 12.544 4.684 -13.136 1.00 0.00 C ATOM 90 CE1 TYR A 65 10.126 3.479 -13.692 1.00 0.00 C ATOM 91 CE2 TYR A 65 12.114 4.577 -14.444 1.00 0.00 C ATOM 92 CZ TYR A 65 10.905 3.973 -14.717 1.00 0.00 C ATOM 93 OH TYR A 65 10.472 3.863 -16.019 1.00 0.00 O ATOM 0 H TYR A 65 11.014 2.909 -8.809 1.00 0.00 H new ATOM 0 HA TYR A 65 13.086 2.342 -10.837 1.00 0.00 H new ATOM 0 HB2 TYR A 65 11.448 4.729 -10.047 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.080 5.025 -10.614 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.950 3.205 -11.586 1.00 0.00 H new ATOM 0 HD2 TYR A 65 13.492 5.156 -12.926 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.179 3.006 -13.909 1.00 0.00 H new ATOM 0 HE2 TYR A 65 12.721 4.964 -15.249 1.00 0.00 H new ATOM 0 HH TYR A 65 11.136 4.261 -16.619 1.00 0.00 H new ATOM 103 N GLN A 66 13.463 3.337 -7.769 1.00 0.00 N ATOM 104 CA GLN A 66 14.439 3.571 -6.711 1.00 0.00 C ATOM 105 C GLN A 66 15.252 2.312 -6.432 1.00 0.00 C ATOM 106 O GLN A 66 16.327 2.375 -5.835 1.00 0.00 O ATOM 107 CB GLN A 66 13.737 4.033 -5.433 1.00 0.00 C ATOM 108 CG GLN A 66 12.970 2.926 -4.726 1.00 0.00 C ATOM 109 CD GLN A 66 12.014 3.457 -3.677 1.00 0.00 C ATOM 110 OE1 GLN A 66 10.796 3.341 -3.814 1.00 0.00 O ATOM 111 NE2 GLN A 66 12.562 4.045 -2.619 1.00 0.00 N ATOM 0 H GLN A 66 12.499 3.263 -7.445 1.00 0.00 H new ATOM 0 HA GLN A 66 15.119 4.354 -7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.479 4.444 -4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.048 4.841 -5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.411 2.349 -5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.677 2.243 -4.255 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.577 4.120 -2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.968 4.422 -1.880 1.00 0.00 H new ATOM 120 N ILE A 67 14.732 1.169 -6.867 1.00 0.00 N ATOM 121 CA ILE A 67 15.410 -0.105 -6.664 1.00 0.00 C ATOM 122 C ILE A 67 16.163 -0.533 -7.919 1.00 0.00 C ATOM 123 O ILE A 67 15.632 -0.509 -9.030 1.00 0.00 O ATOM 124 CB ILE A 67 14.418 -1.215 -6.270 1.00 0.00 C ATOM 125 CG1 ILE A 67 13.654 -0.821 -5.005 1.00 0.00 C ATOM 126 CG2 ILE A 67 15.151 -2.532 -6.065 1.00 0.00 C ATOM 127 CD1 ILE A 67 14.542 -0.647 -3.792 1.00 0.00 C ATOM 0 H ILE A 67 13.843 1.099 -7.362 1.00 0.00 H new ATOM 0 HA ILE A 67 16.120 0.042 -5.850 1.00 0.00 H new ATOM 0 HB ILE A 67 13.700 -1.344 -7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 67 13.118 0.110 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 67 12.905 -1.583 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.436 -3.307 -5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 67 15.653 -2.817 -6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.889 -2.418 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 67 13.933 -0.368 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.059 -1.583 -3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 67 15.275 0.136 -3.987 1.00 0.00 H new ATOM 139 N PRO A 68 17.430 -0.936 -7.741 1.00 0.00 N ATOM 140 CA PRO A 68 18.072 -0.968 -6.424 1.00 0.00 C ATOM 141 C PRO A 68 18.336 0.430 -5.874 1.00 0.00 C ATOM 142 O PRO A 68 17.995 0.732 -4.730 1.00 0.00 O ATOM 143 CB PRO A 68 19.392 -1.695 -6.691 1.00 0.00 C ATOM 144 CG PRO A 68 19.673 -1.453 -8.134 1.00 0.00 C ATOM 145 CD PRO A 68 18.332 -1.391 -8.812 1.00 0.00 C ATOM 0 HA PRO A 68 17.445 -1.454 -5.676 1.00 0.00 H new ATOM 0 HB2 PRO A 68 20.192 -1.306 -6.061 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.307 -2.761 -6.477 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.224 -0.523 -8.274 1.00 0.00 H new ATOM 0 HG3 PRO A 68 20.285 -2.252 -8.552 1.00 0.00 H new ATOM 0 HD2 PRO A 68 18.339 -0.698 -9.653 1.00 0.00 H new ATOM 0 HD3 PRO A 68 18.034 -2.364 -9.203 1.00 0.00 H new ATOM 153 N TYR A 69 18.945 1.278 -6.695 1.00 0.00 N ATOM 154 CA TYR A 69 19.256 2.644 -6.289 1.00 0.00 C ATOM 155 C TYR A 69 18.977 3.626 -7.423 1.00 0.00 C ATOM 156 O TYR A 69 19.090 3.283 -8.600 1.00 0.00 O ATOM 157 CB TYR A 69 20.720 2.749 -5.857 1.00 0.00 C ATOM 158 CG TYR A 69 21.699 2.327 -6.929 1.00 0.00 C ATOM 159 CD1 TYR A 69 22.127 3.226 -7.899 1.00 0.00 C ATOM 160 CD2 TYR A 69 22.198 1.031 -6.971 1.00 0.00 C ATOM 161 CE1 TYR A 69 23.021 2.845 -8.880 1.00 0.00 C ATOM 162 CE2 TYR A 69 23.093 0.642 -7.949 1.00 0.00 C ATOM 163 CZ TYR A 69 23.502 1.552 -8.901 1.00 0.00 C ATOM 164 OH TYR A 69 24.394 1.169 -9.876 1.00 0.00 O ATOM 0 H TYR A 69 19.233 1.044 -7.645 1.00 0.00 H new ATOM 0 HA TYR A 69 18.616 2.900 -5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.932 3.778 -5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.874 2.131 -4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.754 4.239 -7.885 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.881 0.316 -6.227 1.00 0.00 H new ATOM 0 HE1 TYR A 69 23.342 3.556 -9.627 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.470 -0.370 -7.968 1.00 0.00 H new ATOM 0 HH TYR A 69 24.635 0.228 -9.748 1.00 0.00 H new ATOM 174 N THR A 70 18.613 4.852 -7.059 1.00 0.00 N ATOM 175 CA THR A 70 18.317 5.885 -8.043 1.00 0.00 C ATOM 176 C THR A 70 19.446 6.906 -8.125 1.00 0.00 C ATOM 177 O THR A 70 20.235 7.071 -7.194 1.00 0.00 O ATOM 178 CB THR A 70 17.002 6.616 -7.712 1.00 0.00 C ATOM 179 OG1 THR A 70 16.605 6.325 -6.368 1.00 0.00 O ATOM 180 CG2 THR A 70 15.898 6.205 -8.673 1.00 0.00 C ATOM 0 H THR A 70 18.516 5.153 -6.089 1.00 0.00 H new ATOM 0 HA THR A 70 18.213 5.384 -9.005 1.00 0.00 H new ATOM 0 HB THR A 70 17.171 7.688 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 70 15.769 6.795 -6.165 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.979 6.734 -8.419 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.191 6.455 -9.693 1.00 0.00 H new ATOM 0 HG23 THR A 70 15.731 5.131 -8.597 1.00 0.00 H new ATOM 188 N PRO A 71 19.528 7.608 -9.264 1.00 0.00 N ATOM 189 CA PRO A 71 20.558 8.627 -9.494 1.00 0.00 C ATOM 190 C PRO A 71 20.350 9.866 -8.630 1.00 0.00 C ATOM 191 O PRO A 71 21.312 10.474 -8.159 1.00 0.00 O ATOM 192 CB PRO A 71 20.389 8.973 -10.975 1.00 0.00 C ATOM 193 CG PRO A 71 18.970 8.642 -11.283 1.00 0.00 C ATOM 194 CD PRO A 71 18.622 7.464 -10.416 1.00 0.00 C ATOM 0 HA PRO A 71 21.554 8.266 -9.238 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.599 10.026 -11.162 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.074 8.396 -11.597 1.00 0.00 H new ATOM 0 HG2 PRO A 71 18.317 9.489 -11.071 1.00 0.00 H new ATOM 0 HG3 PRO A 71 18.846 8.400 -12.339 1.00 0.00 H new ATOM 0 HD2 PRO A 71 17.576 7.486 -10.110 1.00 0.00 H new ATOM 0 HD3 PRO A 71 18.782 6.520 -10.937 1.00 0.00 H new ATOM 202 N SER A 72 19.090 10.235 -8.425 1.00 0.00 N ATOM 203 CA SER A 72 18.757 11.404 -7.620 1.00 0.00 C ATOM 204 C SER A 72 19.298 11.259 -6.201 1.00 0.00 C ATOM 205 O SER A 72 19.770 12.226 -5.604 1.00 0.00 O ATOM 206 CB SER A 72 17.241 11.608 -7.582 1.00 0.00 C ATOM 207 OG SER A 72 16.866 12.442 -6.499 1.00 0.00 O ATOM 0 H SER A 72 18.283 9.741 -8.805 1.00 0.00 H new ATOM 0 HA SER A 72 19.222 12.276 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.907 12.052 -8.520 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.743 10.643 -7.491 1.00 0.00 H new ATOM 0 HG SER A 72 15.893 12.558 -6.497 1.00 0.00 H new ATOM 213 N GLU A 73 19.225 10.043 -5.668 1.00 0.00 N ATOM 214 CA GLU A 73 19.707 9.771 -4.319 1.00 0.00 C ATOM 215 C GLU A 73 21.224 9.909 -4.245 1.00 0.00 C ATOM 216 O GLU A 73 21.755 10.584 -3.362 1.00 0.00 O ATOM 217 CB GLU A 73 19.289 8.366 -3.879 1.00 0.00 C ATOM 218 CG GLU A 73 17.852 8.020 -4.231 1.00 0.00 C ATOM 219 CD GLU A 73 17.430 6.666 -3.693 1.00 0.00 C ATOM 220 OE1 GLU A 73 18.163 5.682 -3.924 1.00 0.00 O ATOM 221 OE2 GLU A 73 16.367 6.590 -3.043 1.00 0.00 O ATOM 0 H GLU A 73 18.837 9.232 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 73 19.260 10.503 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 73 19.953 7.637 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.421 8.278 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.189 8.788 -3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.735 8.029 -5.315 1.00 0.00 H new ATOM 228 N LEU A 74 21.917 9.264 -5.177 1.00 0.00 N ATOM 229 CA LEU A 74 23.375 9.313 -5.218 1.00 0.00 C ATOM 230 C LEU A 74 23.865 10.741 -5.439 1.00 0.00 C ATOM 231 O LEU A 74 24.707 11.240 -4.694 1.00 0.00 O ATOM 232 CB LEU A 74 23.904 8.402 -6.327 1.00 0.00 C ATOM 233 CG LEU A 74 23.470 6.938 -6.257 1.00 0.00 C ATOM 234 CD1 LEU A 74 24.212 6.111 -7.296 1.00 0.00 C ATOM 235 CD2 LEU A 74 23.702 6.378 -4.862 1.00 0.00 C ATOM 0 H LEU A 74 21.493 8.701 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 74 23.754 8.963 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 74 23.586 8.809 -7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 74 24.993 8.438 -6.311 1.00 0.00 H new ATOM 0 HG LEU A 74 22.403 6.885 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 74 23.890 5.072 -7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 74 23.994 6.497 -8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 74 25.284 6.171 -7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 74 23.387 5.335 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 74 24.762 6.445 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.124 6.953 -4.138 1.00 0.00 H new ATOM 247 N GLU A 75 23.330 11.392 -6.468 1.00 0.00 N ATOM 248 CA GLU A 75 23.713 12.763 -6.785 1.00 0.00 C ATOM 249 C GLU A 75 23.437 13.692 -5.607 1.00 0.00 C ATOM 250 O GLU A 75 24.243 14.567 -5.292 1.00 0.00 O ATOM 251 CB GLU A 75 22.959 13.253 -8.023 1.00 0.00 C ATOM 252 CG GLU A 75 23.206 12.408 -9.261 1.00 0.00 C ATOM 253 CD GLU A 75 24.394 12.892 -10.070 1.00 0.00 C ATOM 254 OE1 GLU A 75 24.306 13.991 -10.655 1.00 0.00 O ATOM 255 OE2 GLU A 75 25.413 12.170 -10.117 1.00 0.00 O ATOM 0 H GLU A 75 22.632 10.993 -7.095 1.00 0.00 H new ATOM 0 HA GLU A 75 24.783 12.775 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.891 13.262 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.251 14.282 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.372 11.373 -8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 75 22.315 12.420 -9.888 1.00 0.00 H new ATOM 262 N GLU A 76 22.292 13.494 -4.960 1.00 0.00 N ATOM 263 CA GLU A 76 21.909 14.315 -3.818 1.00 0.00 C ATOM 264 C GLU A 76 22.840 14.068 -2.634 1.00 0.00 C ATOM 265 O GLU A 76 23.157 14.986 -1.876 1.00 0.00 O ATOM 266 CB GLU A 76 20.463 14.022 -3.413 1.00 0.00 C ATOM 267 CG GLU A 76 19.981 14.852 -2.235 1.00 0.00 C ATOM 268 CD GLU A 76 18.483 15.087 -2.262 1.00 0.00 C ATOM 269 OE1 GLU A 76 17.923 15.214 -3.371 1.00 0.00 O ATOM 270 OE2 GLU A 76 17.871 15.144 -1.175 1.00 0.00 O ATOM 0 H GLU A 76 21.615 12.773 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 76 21.992 15.361 -4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.811 14.206 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.371 12.965 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.249 14.348 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.496 15.813 -2.237 1.00 0.00 H new ATOM 277 N LEU A 77 23.275 12.822 -2.481 1.00 0.00 N ATOM 278 CA LEU A 77 24.170 12.452 -1.389 1.00 0.00 C ATOM 279 C LEU A 77 25.524 13.138 -1.539 1.00 0.00 C ATOM 280 O LEU A 77 25.997 13.804 -0.619 1.00 0.00 O ATOM 281 CB LEU A 77 24.355 10.935 -1.347 1.00 0.00 C ATOM 282 CG LEU A 77 24.494 10.313 0.043 1.00 0.00 C ATOM 283 CD1 LEU A 77 25.686 10.908 0.777 1.00 0.00 C ATOM 284 CD2 LEU A 77 23.217 10.513 0.846 1.00 0.00 C ATOM 0 H LEU A 77 23.023 12.051 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 77 23.718 12.782 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 77 23.504 10.472 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 77 25.242 10.681 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 77 24.663 9.242 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 77 25.769 10.454 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 77 26.596 10.714 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 77 25.548 11.984 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 77 23.333 10.064 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 77 23.018 11.579 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 77 22.383 10.039 0.328 1.00 0.00 H new ATOM 296 N GLN A 78 26.140 12.971 -2.705 1.00 0.00 N ATOM 297 CA GLN A 78 27.439 13.575 -2.975 1.00 0.00 C ATOM 298 C GLN A 78 27.369 15.094 -2.853 1.00 0.00 C ATOM 299 O GLN A 78 28.228 15.716 -2.229 1.00 0.00 O ATOM 300 CB GLN A 78 27.926 13.186 -4.372 1.00 0.00 C ATOM 301 CG GLN A 78 26.928 13.504 -5.474 1.00 0.00 C ATOM 302 CD GLN A 78 27.354 12.956 -6.822 1.00 0.00 C ATOM 303 OE1 GLN A 78 26.858 11.922 -7.269 1.00 0.00 O ATOM 304 NE2 GLN A 78 28.277 13.649 -7.478 1.00 0.00 N ATOM 0 H GLN A 78 25.761 12.423 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 78 28.146 13.201 -2.234 1.00 0.00 H new ATOM 0 HB2 GLN A 78 28.862 13.705 -4.579 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.144 12.118 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.955 13.090 -5.209 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.805 14.585 -5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 78 28.661 14.501 -7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 78 28.602 13.329 -8.390 1.00 0.00 H new ATOM 313 N GLN A 79 26.340 15.684 -3.453 1.00 0.00 N ATOM 314 CA GLN A 79 26.160 17.130 -3.412 1.00 0.00 C ATOM 315 C GLN A 79 26.068 17.627 -1.973 1.00 0.00 C ATOM 316 O GLN A 79 26.688 18.626 -1.610 1.00 0.00 O ATOM 317 CB GLN A 79 24.900 17.530 -4.183 1.00 0.00 C ATOM 318 CG GLN A 79 25.122 17.671 -5.680 1.00 0.00 C ATOM 319 CD GLN A 79 26.005 18.852 -6.031 1.00 0.00 C ATOM 320 OE1 GLN A 79 27.290 18.590 -6.240 1.00 0.00 O flip ATOM 321 NE2 GLN A 79 25.537 19.988 -6.113 1.00 0.00 N flip ATOM 0 H GLN A 79 25.619 15.183 -3.973 1.00 0.00 H new ATOM 0 HA GLN A 79 27.028 17.592 -3.882 1.00 0.00 H new ATOM 0 HB2 GLN A 79 24.125 16.784 -4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.528 18.475 -3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.575 16.757 -6.064 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.158 17.782 -6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.543 20.144 -5.944 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.143 20.773 -6.350 1.00 0.00 H new ATOM 330 N ASN A 80 25.291 16.922 -1.157 1.00 0.00 N ATOM 331 CA ASN A 80 25.118 17.292 0.243 1.00 0.00 C ATOM 332 C ASN A 80 26.428 17.142 1.011 1.00 0.00 C ATOM 333 O ASN A 80 26.691 17.882 1.959 1.00 0.00 O ATOM 334 CB ASN A 80 24.033 16.429 0.890 1.00 0.00 C ATOM 335 CG ASN A 80 22.646 17.019 0.717 1.00 0.00 C ATOM 336 OD1 ASN A 80 22.451 18.226 0.863 1.00 0.00 O ATOM 337 ND2 ASN A 80 21.676 16.168 0.406 1.00 0.00 N ATOM 0 H ASN A 80 24.771 16.092 -1.441 1.00 0.00 H new ATOM 0 HA ASN A 80 24.812 18.338 0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 80 24.058 15.431 0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.247 16.317 1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 80 20.722 16.506 0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 80 21.884 15.176 0.295 1.00 0.00 H new ATOM 344 N ILE A 81 27.244 16.179 0.595 1.00 0.00 N ATOM 345 CA ILE A 81 28.527 15.934 1.243 1.00 0.00 C ATOM 346 C ILE A 81 29.476 17.111 1.047 1.00 0.00 C ATOM 347 O ILE A 81 29.980 17.684 2.014 1.00 0.00 O ATOM 348 CB ILE A 81 29.194 14.655 0.703 1.00 0.00 C ATOM 349 CG1 ILE A 81 28.397 13.419 1.126 1.00 0.00 C ATOM 350 CG2 ILE A 81 30.631 14.560 1.194 1.00 0.00 C ATOM 351 CD1 ILE A 81 28.519 12.262 0.160 1.00 0.00 C ATOM 0 H ILE A 81 27.040 15.556 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 81 28.325 15.808 2.307 1.00 0.00 H new ATOM 0 HB ILE A 81 29.205 14.701 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.736 13.097 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.346 13.690 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 81 31.089 13.651 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 81 31.192 15.427 0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 81 30.642 14.534 2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 81 27.929 11.421 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 81 28.152 12.566 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 81 29.564 11.964 0.080 1.00 0.00 H new ATOM 363 N LYS A 82 29.715 17.468 -0.210 1.00 0.00 N ATOM 364 CA LYS A 82 30.601 18.580 -0.534 1.00 0.00 C ATOM 365 C LYS A 82 29.984 19.909 -0.112 1.00 0.00 C ATOM 366 O LYS A 82 30.692 20.896 0.094 1.00 0.00 O ATOM 367 CB LYS A 82 30.901 18.598 -2.035 1.00 0.00 C ATOM 368 CG LYS A 82 29.661 18.491 -2.905 1.00 0.00 C ATOM 369 CD LYS A 82 29.811 17.408 -3.960 1.00 0.00 C ATOM 370 CE LYS A 82 30.243 17.989 -5.297 1.00 0.00 C ATOM 371 NZ LYS A 82 30.085 17.007 -6.405 1.00 0.00 N ATOM 0 H LYS A 82 29.307 17.003 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 82 31.532 18.442 0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 82 31.428 19.520 -2.280 1.00 0.00 H new ATOM 0 HB3 LYS A 82 31.573 17.774 -2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 82 28.795 18.274 -2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 82 29.472 19.449 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 82 30.544 16.673 -3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 82 28.864 16.881 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 82 29.653 18.879 -5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 82 31.285 18.304 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 30.390 17.441 -7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 30.668 16.168 -6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 29.087 16.725 -6.480 1.00 0.00 H new ATOM 385 N LEU A 83 28.662 19.928 0.017 1.00 0.00 N ATOM 386 CA LEU A 83 27.950 21.136 0.416 1.00 0.00 C ATOM 387 C LEU A 83 27.940 21.286 1.934 1.00 0.00 C ATOM 388 O LEU A 83 27.872 22.397 2.457 1.00 0.00 O ATOM 389 CB LEU A 83 26.515 21.105 -0.114 1.00 0.00 C ATOM 390 CG LEU A 83 26.335 21.481 -1.585 1.00 0.00 C ATOM 391 CD1 LEU A 83 24.924 21.157 -2.050 1.00 0.00 C ATOM 392 CD2 LEU A 83 26.644 22.956 -1.800 1.00 0.00 C ATOM 0 H LEU A 83 28.062 19.120 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 83 28.471 21.993 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 83 26.115 20.102 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 83 25.911 21.782 0.490 1.00 0.00 H new ATOM 0 HG LEU A 83 27.035 20.893 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 83 24.815 21.431 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.739 20.089 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 83 24.206 21.718 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.511 23.206 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 83 25.969 23.561 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.674 23.158 -1.507 1.00 0.00 H new ATOM 404 N GLU A 84 28.010 20.158 2.635 1.00 0.00 N ATOM 405 CA GLU A 84 28.010 20.165 4.093 1.00 0.00 C ATOM 406 C GLU A 84 29.398 19.843 4.638 1.00 0.00 C ATOM 407 O GLU A 84 30.112 20.727 5.113 1.00 0.00 O ATOM 408 CB GLU A 84 26.993 19.156 4.630 1.00 0.00 C ATOM 409 CG GLU A 84 25.549 19.547 4.365 1.00 0.00 C ATOM 410 CD GLU A 84 24.922 20.290 5.529 1.00 0.00 C ATOM 411 OE1 GLU A 84 25.665 20.973 6.265 1.00 0.00 O ATOM 412 OE2 GLU A 84 23.690 20.189 5.704 1.00 0.00 O ATOM 0 H GLU A 84 28.067 19.229 2.217 1.00 0.00 H new ATOM 0 HA GLU A 84 27.730 21.164 4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 84 27.186 18.183 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 84 27.139 19.043 5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.504 20.172 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 84 24.966 18.650 4.155 1.00 0.00 H new ATOM 419 N LEU A 85 29.775 18.571 4.567 1.00 0.00 N ATOM 420 CA LEU A 85 31.078 18.130 5.054 1.00 0.00 C ATOM 421 C LEU A 85 32.197 18.975 4.455 1.00 0.00 C ATOM 422 O LEU A 85 31.964 19.785 3.558 1.00 0.00 O ATOM 423 CB LEU A 85 31.299 16.655 4.714 1.00 0.00 C ATOM 424 CG LEU A 85 30.581 15.645 5.610 1.00 0.00 C ATOM 425 CD1 LEU A 85 30.920 15.892 7.071 1.00 0.00 C ATOM 426 CD2 LEU A 85 29.077 15.712 5.390 1.00 0.00 C ATOM 0 H LEU A 85 29.197 17.827 4.177 1.00 0.00 H new ATOM 0 HA LEU A 85 31.095 18.253 6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.981 16.488 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.369 16.450 4.754 1.00 0.00 H new ATOM 0 HG LEU A 85 30.922 14.645 5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 85 30.400 15.164 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.996 15.792 7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.608 16.898 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.582 14.987 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 85 28.719 16.714 5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.851 15.484 4.348 1.00 0.00 H new ATOM 438 N GLU A 86 33.413 18.778 4.955 1.00 0.00 N ATOM 439 CA GLU A 86 34.569 19.522 4.467 1.00 0.00 C ATOM 440 C GLU A 86 35.863 18.953 5.040 1.00 0.00 C ATOM 441 O GLU A 86 35.841 18.104 5.930 1.00 0.00 O ATOM 442 CB GLU A 86 34.443 21.002 4.835 1.00 0.00 C ATOM 443 CG GLU A 86 34.317 21.249 6.329 1.00 0.00 C ATOM 444 CD GLU A 86 34.511 22.707 6.698 1.00 0.00 C ATOM 445 OE1 GLU A 86 33.649 23.532 6.326 1.00 0.00 O ATOM 446 OE2 GLU A 86 35.523 23.024 7.357 1.00 0.00 O ATOM 0 H GLU A 86 33.623 18.110 5.697 1.00 0.00 H new ATOM 0 HA GLU A 86 34.599 19.426 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 86 35.315 21.537 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 86 33.571 21.420 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 86 33.334 20.921 6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 86 35.054 20.643 6.857 1.00 0.00 H new ATOM 453 N GLY A 87 36.992 19.426 4.520 1.00 0.00 N ATOM 454 CA GLY A 87 38.281 18.953 4.990 1.00 0.00 C ATOM 455 C GLY A 87 38.434 17.452 4.850 1.00 0.00 C ATOM 456 O GLY A 87 38.288 16.904 3.757 1.00 0.00 O ATOM 0 H GLY A 87 37.037 20.128 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 87 39.073 19.450 4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 87 38.408 19.232 6.036 1.00 0.00 H new ATOM 460 N LYS A 88 38.730 16.782 5.959 1.00 0.00 N ATOM 461 CA LYS A 88 38.903 15.335 5.957 1.00 0.00 C ATOM 462 C LYS A 88 37.602 14.630 6.327 1.00 0.00 C ATOM 463 O LYS A 88 37.586 13.748 7.185 1.00 0.00 O ATOM 464 CB LYS A 88 40.010 14.931 6.934 1.00 0.00 C ATOM 465 CG LYS A 88 40.885 13.798 6.427 1.00 0.00 C ATOM 466 CD LYS A 88 40.316 12.441 6.806 1.00 0.00 C ATOM 467 CE LYS A 88 41.417 11.456 7.167 1.00 0.00 C ATOM 468 NZ LYS A 88 41.676 11.425 8.633 1.00 0.00 N ATOM 0 H LYS A 88 38.855 17.220 6.872 1.00 0.00 H new ATOM 0 HA LYS A 88 39.187 15.030 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 88 40.637 15.799 7.139 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.557 14.634 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 88 40.977 13.865 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 88 41.889 13.900 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 88 39.636 12.553 7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 88 39.731 12.046 5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 88 41.138 10.459 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 88 42.333 11.727 6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 42.433 10.742 8.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 41.967 12.370 8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 40.809 11.141 9.133 1.00 0.00 H new ATOM 482 N GLU A 89 36.514 15.024 5.673 1.00 0.00 N ATOM 483 CA GLU A 89 35.209 14.429 5.934 1.00 0.00 C ATOM 484 C GLU A 89 34.426 14.244 4.637 1.00 0.00 C ATOM 485 O GLU A 89 33.898 13.166 4.368 1.00 0.00 O ATOM 486 CB GLU A 89 34.410 15.301 6.905 1.00 0.00 C ATOM 487 CG GLU A 89 35.226 15.803 8.084 1.00 0.00 C ATOM 488 CD GLU A 89 34.392 16.583 9.082 1.00 0.00 C ATOM 489 OE1 GLU A 89 33.202 16.243 9.253 1.00 0.00 O ATOM 490 OE2 GLU A 89 34.927 17.532 9.691 1.00 0.00 O ATOM 0 H GLU A 89 36.511 15.752 4.959 1.00 0.00 H new ATOM 0 HA GLU A 89 35.369 13.450 6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 89 34.005 16.156 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 89 33.561 14.729 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 89 35.689 14.955 8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 89 36.034 16.436 7.718 1.00 0.00 H new ATOM 497 N GLN A 90 34.355 15.305 3.839 1.00 0.00 N ATOM 498 CA GLN A 90 33.636 15.260 2.572 1.00 0.00 C ATOM 499 C GLN A 90 34.402 14.439 1.540 1.00 0.00 C ATOM 500 O GLN A 90 33.805 13.805 0.670 1.00 0.00 O ATOM 501 CB GLN A 90 33.403 16.676 2.043 1.00 0.00 C ATOM 502 CG GLN A 90 34.682 17.395 1.644 1.00 0.00 C ATOM 503 CD GLN A 90 34.418 18.651 0.837 1.00 0.00 C ATOM 504 OE1 GLN A 90 35.095 18.919 -0.155 1.00 0.00 O ATOM 505 NE2 GLN A 90 33.429 19.430 1.260 1.00 0.00 N ATOM 0 H GLN A 90 34.786 16.205 4.048 1.00 0.00 H new ATOM 0 HA GLN A 90 32.672 14.782 2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 90 32.739 16.628 1.180 1.00 0.00 H new ATOM 0 HB3 GLN A 90 32.891 17.261 2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 90 35.243 17.656 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 90 35.308 16.719 1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 90 32.893 19.169 2.088 1.00 0.00 H new ATOM 0 HE22 GLN A 90 33.205 20.289 0.757 1.00 0.00 H new ATOM 514 N GLU A 91 35.728 14.456 1.642 1.00 0.00 N ATOM 515 CA GLU A 91 36.575 13.714 0.716 1.00 0.00 C ATOM 516 C GLU A 91 36.307 12.215 0.817 1.00 0.00 C ATOM 517 O GLU A 91 36.190 11.524 -0.197 1.00 0.00 O ATOM 518 CB GLU A 91 38.051 13.999 1.000 1.00 0.00 C ATOM 519 CG GLU A 91 38.461 13.719 2.436 1.00 0.00 C ATOM 520 CD GLU A 91 39.878 14.166 2.736 1.00 0.00 C ATOM 521 OE1 GLU A 91 40.161 15.374 2.600 1.00 0.00 O ATOM 522 OE2 GLU A 91 40.704 13.306 3.108 1.00 0.00 O ATOM 0 H GLU A 91 36.238 14.975 2.356 1.00 0.00 H new ATOM 0 HA GLU A 91 36.337 14.041 -0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 91 38.664 13.394 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 91 38.262 15.043 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 91 37.773 14.227 3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 91 38.371 12.651 2.634 1.00 0.00 H new ATOM 529 N LEU A 92 36.213 11.717 2.045 1.00 0.00 N ATOM 530 CA LEU A 92 35.960 10.300 2.279 1.00 0.00 C ATOM 531 C LEU A 92 34.585 9.898 1.754 1.00 0.00 C ATOM 532 O LEU A 92 34.457 8.943 0.988 1.00 0.00 O ATOM 533 CB LEU A 92 36.060 9.984 3.772 1.00 0.00 C ATOM 534 CG LEU A 92 37.385 10.342 4.447 1.00 0.00 C ATOM 535 CD1 LEU A 92 37.317 10.061 5.940 1.00 0.00 C ATOM 536 CD2 LEU A 92 38.533 9.574 3.809 1.00 0.00 C ATOM 0 H LEU A 92 36.308 12.274 2.894 1.00 0.00 H new ATOM 0 HA LEU A 92 36.716 9.728 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 92 35.258 10.511 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 92 35.882 8.918 3.910 1.00 0.00 H new ATOM 0 HG LEU A 92 37.566 11.408 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 92 38.269 10.322 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 92 36.521 10.657 6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 92 37.113 9.003 6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 92 39.468 9.841 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 92 38.359 8.503 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 92 38.596 9.826 2.750 1.00 0.00 H new ATOM 548 N ALA A 93 33.560 10.635 2.169 1.00 0.00 N ATOM 549 CA ALA A 93 32.196 10.358 1.738 1.00 0.00 C ATOM 550 C ALA A 93 32.088 10.370 0.217 1.00 0.00 C ATOM 551 O ALA A 93 31.611 9.409 -0.390 1.00 0.00 O ATOM 552 CB ALA A 93 31.235 11.370 2.344 1.00 0.00 C ATOM 0 H ALA A 93 33.649 11.429 2.803 1.00 0.00 H new ATOM 0 HA ALA A 93 31.926 9.362 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 93 30.220 11.151 2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 93 31.283 11.312 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 93 31.513 12.374 2.022 1.00 0.00 H new ATOM 558 N LEU A 94 32.534 11.461 -0.395 1.00 0.00 N ATOM 559 CA LEU A 94 32.487 11.598 -1.847 1.00 0.00 C ATOM 560 C LEU A 94 33.357 10.542 -2.521 1.00 0.00 C ATOM 561 O LEU A 94 33.023 10.045 -3.597 1.00 0.00 O ATOM 562 CB LEU A 94 32.948 12.996 -2.262 1.00 0.00 C ATOM 563 CG LEU A 94 31.859 14.066 -2.343 1.00 0.00 C ATOM 564 CD1 LEU A 94 32.370 15.391 -1.798 1.00 0.00 C ATOM 565 CD2 LEU A 94 31.375 14.228 -3.776 1.00 0.00 C ATOM 0 H LEU A 94 32.933 12.264 0.091 1.00 0.00 H new ATOM 0 HA LEU A 94 31.456 11.452 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 94 33.707 13.331 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.431 12.923 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 94 31.016 13.745 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 94 31.581 16.140 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 94 32.666 15.266 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.230 15.717 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 94 30.600 14.994 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 94 32.210 14.525 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 94 30.968 13.282 -4.132 1.00 0.00 H new ATOM 577 N GLU A 95 34.471 10.203 -1.881 1.00 0.00 N ATOM 578 CA GLU A 95 35.387 9.205 -2.420 1.00 0.00 C ATOM 579 C GLU A 95 34.670 7.878 -2.654 1.00 0.00 C ATOM 580 O GLU A 95 34.573 7.404 -3.786 1.00 0.00 O ATOM 581 CB GLU A 95 36.568 8.998 -1.468 1.00 0.00 C ATOM 582 CG GLU A 95 37.454 7.822 -1.845 1.00 0.00 C ATOM 583 CD GLU A 95 38.926 8.102 -1.611 1.00 0.00 C ATOM 584 OE1 GLU A 95 39.375 9.221 -1.938 1.00 0.00 O ATOM 585 OE2 GLU A 95 39.628 7.204 -1.103 1.00 0.00 O ATOM 0 H GLU A 95 34.761 10.604 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 95 35.760 9.570 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 95 37.172 9.905 -1.448 1.00 0.00 H new ATOM 0 HB3 GLU A 95 36.188 8.846 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 95 37.158 6.948 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 95 37.297 7.576 -2.895 1.00 0.00 H new ATOM 592 N LEU A 96 34.170 7.285 -1.576 1.00 0.00 N ATOM 593 CA LEU A 96 33.462 6.012 -1.662 1.00 0.00 C ATOM 594 C LEU A 96 32.229 6.135 -2.552 1.00 0.00 C ATOM 595 O LEU A 96 31.915 5.228 -3.325 1.00 0.00 O ATOM 596 CB LEU A 96 33.052 5.538 -0.267 1.00 0.00 C ATOM 597 CG LEU A 96 32.475 4.125 -0.181 1.00 0.00 C ATOM 598 CD1 LEU A 96 33.553 3.132 0.227 1.00 0.00 C ATOM 599 CD2 LEU A 96 31.311 4.083 0.798 1.00 0.00 C ATOM 0 H LEU A 96 34.241 7.665 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 96 34.136 5.279 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 96 33.924 5.593 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 96 32.314 6.235 0.129 1.00 0.00 H new ATOM 0 HG LEU A 96 32.105 3.844 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 96 33.124 2.132 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 96 34.355 3.142 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 96 33.954 3.410 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 96 30.913 3.070 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 96 31.656 4.385 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.529 4.765 0.463 1.00 0.00 H new ATOM 611 N LEU A 97 31.535 7.262 -2.440 1.00 0.00 N ATOM 612 CA LEU A 97 30.337 7.505 -3.237 1.00 0.00 C ATOM 613 C LEU A 97 30.652 7.444 -4.728 1.00 0.00 C ATOM 614 O LEU A 97 30.028 6.690 -5.473 1.00 0.00 O ATOM 615 CB LEU A 97 29.736 8.868 -2.887 1.00 0.00 C ATOM 616 CG LEU A 97 28.252 9.050 -3.208 1.00 0.00 C ATOM 617 CD1 LEU A 97 27.718 10.319 -2.563 1.00 0.00 C ATOM 618 CD2 LEU A 97 28.033 9.081 -4.714 1.00 0.00 C ATOM 0 H LEU A 97 31.781 8.022 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 97 29.613 6.724 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 97 29.881 9.043 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 97 30.299 9.637 -3.416 1.00 0.00 H new ATOM 0 HG LEU A 97 27.704 8.201 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 97 26.661 10.432 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 97 27.841 10.257 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 97 28.269 11.180 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 97 26.972 9.211 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 97 28.593 9.910 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 97 28.377 8.144 -5.151 1.00 0.00 H new ATOM 630 N ASN A 98 31.627 8.240 -5.155 1.00 0.00 N ATOM 631 CA ASN A 98 32.026 8.275 -6.557 1.00 0.00 C ATOM 632 C ASN A 98 32.718 6.975 -6.958 1.00 0.00 C ATOM 633 O ASN A 98 32.665 6.563 -8.117 1.00 0.00 O ATOM 634 CB ASN A 98 32.957 9.461 -6.814 1.00 0.00 C ATOM 635 CG ASN A 98 32.461 10.354 -7.935 1.00 0.00 C ATOM 636 OD1 ASN A 98 31.259 10.439 -8.190 1.00 0.00 O ATOM 637 ND2 ASN A 98 33.386 11.024 -8.612 1.00 0.00 N ATOM 0 H ASN A 98 32.155 8.869 -4.550 1.00 0.00 H new ATOM 0 HA ASN A 98 31.127 8.389 -7.162 1.00 0.00 H new ATOM 0 HB2 ASN A 98 33.053 10.048 -5.901 1.00 0.00 H new ATOM 0 HB3 ASN A 98 33.952 9.091 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 98 33.112 11.639 -9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 98 34.371 10.923 -8.366 1.00 0.00 H new ATOM 644 N TYR A 99 33.365 6.334 -5.991 1.00 0.00 N ATOM 645 CA TYR A 99 34.069 5.082 -6.243 1.00 0.00 C ATOM 646 C TYR A 99 33.090 3.971 -6.610 1.00 0.00 C ATOM 647 O TYR A 99 33.358 3.158 -7.496 1.00 0.00 O ATOM 648 CB TYR A 99 34.882 4.674 -5.013 1.00 0.00 C ATOM 649 CG TYR A 99 36.342 5.058 -5.098 1.00 0.00 C ATOM 650 CD1 TYR A 99 36.721 6.358 -5.410 1.00 0.00 C ATOM 651 CD2 TYR A 99 37.342 4.122 -4.867 1.00 0.00 C ATOM 652 CE1 TYR A 99 38.053 6.714 -5.490 1.00 0.00 C ATOM 653 CE2 TYR A 99 38.677 4.470 -4.943 1.00 0.00 C ATOM 654 CZ TYR A 99 39.027 5.767 -5.255 1.00 0.00 C ATOM 655 OH TYR A 99 40.356 6.117 -5.333 1.00 0.00 O ATOM 0 H TYR A 99 33.417 6.660 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 99 34.746 5.238 -7.083 1.00 0.00 H new ATOM 0 HB2 TYR A 99 34.444 5.137 -4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 99 34.806 3.595 -4.879 1.00 0.00 H new ATOM 0 HD1 TYR A 99 35.961 7.103 -5.593 1.00 0.00 H new ATOM 0 HD2 TYR A 99 37.071 3.105 -4.624 1.00 0.00 H new ATOM 0 HE1 TYR A 99 38.330 7.729 -5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 99 39.442 3.730 -4.759 1.00 0.00 H new ATOM 0 HH TYR A 99 40.912 5.334 -5.139 1.00 0.00 H new ATOM 665 N LEU A 100 31.952 3.943 -5.925 1.00 0.00 N ATOM 666 CA LEU A 100 30.930 2.933 -6.178 1.00 0.00 C ATOM 667 C LEU A 100 29.536 3.490 -5.910 1.00 0.00 C ATOM 668 O LEU A 100 29.179 3.772 -4.767 1.00 0.00 O ATOM 669 CB LEU A 100 31.176 1.701 -5.306 1.00 0.00 C ATOM 670 CG LEU A 100 30.126 0.593 -5.397 1.00 0.00 C ATOM 671 CD1 LEU A 100 29.852 0.236 -6.850 1.00 0.00 C ATOM 672 CD2 LEU A 100 30.577 -0.635 -4.620 1.00 0.00 C ATOM 0 H LEU A 100 31.714 4.608 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 100 30.990 2.645 -7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 100 32.145 1.279 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 100 31.245 2.024 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 100 29.200 0.959 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 100 29.102 -0.554 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 100 29.484 1.116 -7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 100 30.773 -0.110 -7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 100 29.817 -1.413 -4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 100 31.516 -1.003 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 100 30.721 -0.370 -3.573 1.00 0.00 H new ATOM 684 N ASN A 101 28.752 3.644 -6.972 1.00 0.00 N ATOM 685 CA ASN A 101 27.395 4.165 -6.851 1.00 0.00 C ATOM 686 C ASN A 101 26.530 3.239 -6.001 1.00 0.00 C ATOM 687 O ASN A 101 25.493 3.648 -5.480 1.00 0.00 O ATOM 688 CB ASN A 101 26.768 4.340 -8.235 1.00 0.00 C ATOM 689 CG ASN A 101 27.002 5.725 -8.806 1.00 0.00 C ATOM 690 OD1 ASN A 101 27.360 6.654 -8.082 1.00 0.00 O ATOM 691 ND2 ASN A 101 26.798 5.870 -10.110 1.00 0.00 N ATOM 0 H ASN A 101 29.033 3.416 -7.926 1.00 0.00 H new ATOM 0 HA ASN A 101 27.448 5.136 -6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 101 27.182 3.595 -8.915 1.00 0.00 H new ATOM 0 HB3 ASN A 101 25.696 4.153 -8.171 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.938 6.780 -10.550 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.502 5.072 -10.672 1.00 0.00 H new ATOM 698 N GLU A 102 26.964 1.990 -5.867 1.00 0.00 N ATOM 699 CA GLU A 102 26.229 1.006 -5.081 1.00 0.00 C ATOM 700 C GLU A 102 26.570 1.129 -3.599 1.00 0.00 C ATOM 701 O GLU A 102 25.887 0.565 -2.744 1.00 0.00 O ATOM 702 CB GLU A 102 26.542 -0.409 -5.572 1.00 0.00 C ATOM 703 CG GLU A 102 25.341 -1.340 -5.551 1.00 0.00 C ATOM 704 CD GLU A 102 25.611 -2.655 -6.255 1.00 0.00 C ATOM 705 OE1 GLU A 102 26.492 -3.407 -5.789 1.00 0.00 O ATOM 706 OE2 GLU A 102 24.942 -2.932 -7.272 1.00 0.00 O ATOM 0 H GLU A 102 27.821 1.636 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 102 25.164 1.199 -5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 102 26.931 -0.354 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 102 27.331 -0.834 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 102 25.057 -1.537 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 102 24.494 -0.845 -6.026 1.00 0.00 H new ATOM 713 N LYS A 103 27.631 1.871 -3.302 1.00 0.00 N ATOM 714 CA LYS A 103 28.065 2.070 -1.924 1.00 0.00 C ATOM 715 C LYS A 103 27.890 3.526 -1.503 1.00 0.00 C ATOM 716 O LYS A 103 28.728 4.375 -1.805 1.00 0.00 O ATOM 717 CB LYS A 103 29.529 1.654 -1.763 1.00 0.00 C ATOM 718 CG LYS A 103 29.725 0.153 -1.644 1.00 0.00 C ATOM 719 CD LYS A 103 29.319 -0.356 -0.271 1.00 0.00 C ATOM 720 CE LYS A 103 30.299 0.095 0.802 1.00 0.00 C ATOM 721 NZ LYS A 103 30.086 -0.628 2.086 1.00 0.00 N ATOM 0 H LYS A 103 28.207 2.345 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 103 27.444 1.447 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 103 30.098 2.020 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 103 29.940 2.137 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 103 29.137 -0.353 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 103 30.770 -0.094 -1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 103 28.320 0.006 -0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 103 29.269 -1.445 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 103 31.319 -0.072 0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 103 30.190 1.167 0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 30.805 -0.330 2.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 29.139 -0.408 2.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 30.165 -1.652 1.925 1.00 0.00 H new ATOM 735 N GLY A 104 26.795 3.808 -0.803 1.00 0.00 N ATOM 736 CA GLY A 104 26.532 5.162 -0.351 1.00 0.00 C ATOM 737 C GLY A 104 25.129 5.326 0.200 1.00 0.00 C ATOM 738 O GLY A 104 24.902 5.157 1.398 1.00 0.00 O ATOM 0 H GLY A 104 26.086 3.123 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 104 27.255 5.432 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 104 26.676 5.854 -1.181 1.00 0.00 H new ATOM 742 N PHE A 105 24.186 5.659 -0.675 1.00 0.00 N ATOM 743 CA PHE A 105 22.799 5.849 -0.269 1.00 0.00 C ATOM 744 C PHE A 105 22.317 4.680 0.585 1.00 0.00 C ATOM 745 O PHE A 105 22.024 4.842 1.771 1.00 0.00 O ATOM 746 CB PHE A 105 21.901 6.001 -1.499 1.00 0.00 C ATOM 747 CG PHE A 105 20.434 5.938 -1.182 1.00 0.00 C ATOM 748 CD1 PHE A 105 19.795 7.013 -0.586 1.00 0.00 C ATOM 749 CD2 PHE A 105 19.695 4.805 -1.480 1.00 0.00 C ATOM 750 CE1 PHE A 105 18.445 6.958 -0.293 1.00 0.00 C ATOM 751 CE2 PHE A 105 18.345 4.744 -1.189 1.00 0.00 C ATOM 752 CZ PHE A 105 17.719 5.822 -0.596 1.00 0.00 C ATOM 0 H PHE A 105 24.357 5.803 -1.670 1.00 0.00 H new ATOM 0 HA PHE A 105 22.743 6.759 0.328 1.00 0.00 H new ATOM 0 HB2 PHE A 105 22.119 6.953 -1.983 1.00 0.00 H new ATOM 0 HB3 PHE A 105 22.144 5.216 -2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 105 20.357 7.904 -0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 105 20.179 3.959 -1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 105 17.958 7.802 0.172 1.00 0.00 H new ATOM 0 HE2 PHE A 105 17.781 3.854 -1.425 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.664 5.778 -0.369 1.00 0.00 H new ATOM 762 N LEU A 106 22.236 3.503 -0.025 1.00 0.00 N ATOM 763 CA LEU A 106 21.789 2.306 0.678 1.00 0.00 C ATOM 764 C LEU A 106 22.974 1.425 1.062 1.00 0.00 C ATOM 765 O LEU A 106 22.831 0.215 1.234 1.00 0.00 O ATOM 766 CB LEU A 106 20.812 1.514 -0.193 1.00 0.00 C ATOM 767 CG LEU A 106 19.567 0.978 0.514 1.00 0.00 C ATOM 768 CD1 LEU A 106 19.957 0.059 1.661 1.00 0.00 C ATOM 769 CD2 LEU A 106 18.703 2.125 1.017 1.00 0.00 C ATOM 0 H LEU A 106 22.474 3.352 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 106 21.282 2.619 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.492 2.152 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.347 0.672 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 106 18.986 0.400 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 106 19.057 -0.312 2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 106 20.533 -0.782 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 106 20.561 0.612 2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 106 17.821 1.724 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 106 19.275 2.731 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 106 18.392 2.743 0.175 1.00 0.00 H new ATOM 781 N SER A 107 24.144 2.042 1.197 1.00 0.00 N ATOM 782 CA SER A 107 25.355 1.314 1.559 1.00 0.00 C ATOM 783 C SER A 107 25.119 0.449 2.794 1.00 0.00 C ATOM 784 O SER A 107 24.100 0.579 3.472 1.00 0.00 O ATOM 785 CB SER A 107 26.504 2.291 1.818 1.00 0.00 C ATOM 786 OG SER A 107 27.666 1.912 1.100 1.00 0.00 O ATOM 0 H SER A 107 24.279 3.044 1.061 1.00 0.00 H new ATOM 0 HA SER A 107 25.622 0.663 0.726 1.00 0.00 H new ATOM 0 HB2 SER A 107 26.203 3.297 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 107 26.726 2.322 2.885 1.00 0.00 H new ATOM 0 HG SER A 107 28.385 2.552 1.280 1.00 0.00 H new ATOM 792 N LYS A 108 26.070 -0.434 3.080 1.00 0.00 N ATOM 793 CA LYS A 108 25.970 -1.320 4.233 1.00 0.00 C ATOM 794 C LYS A 108 26.181 -0.549 5.532 1.00 0.00 C ATOM 795 O LYS A 108 26.086 0.678 5.559 1.00 0.00 O ATOM 796 CB LYS A 108 26.997 -2.449 4.125 1.00 0.00 C ATOM 797 CG LYS A 108 26.410 -3.831 4.356 1.00 0.00 C ATOM 798 CD LYS A 108 26.194 -4.571 3.047 1.00 0.00 C ATOM 799 CE LYS A 108 25.231 -3.826 2.137 1.00 0.00 C ATOM 800 NZ LYS A 108 24.307 -4.753 1.428 1.00 0.00 N ATOM 0 H LYS A 108 26.919 -0.555 2.528 1.00 0.00 H new ATOM 0 HA LYS A 108 24.968 -1.749 4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 108 27.455 -2.419 3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 108 27.792 -2.276 4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 108 27.077 -4.409 4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 108 25.461 -3.741 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 108 27.150 -4.700 2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 108 25.805 -5.568 3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 108 24.651 -3.116 2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 108 25.796 -3.248 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 23.667 -4.206 0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 24.859 -5.415 0.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 23.749 -5.287 2.125 1.00 0.00 H new ATOM 814 N SER A 109 26.468 -1.277 6.606 1.00 0.00 N ATOM 815 CA SER A 109 26.690 -0.661 7.909 1.00 0.00 C ATOM 816 C SER A 109 27.927 0.231 7.885 1.00 0.00 C ATOM 817 O SER A 109 28.823 0.048 7.061 1.00 0.00 O ATOM 818 CB SER A 109 26.844 -1.737 8.986 1.00 0.00 C ATOM 819 OG SER A 109 25.586 -2.107 9.522 1.00 0.00 O ATOM 0 H SER A 109 26.552 -2.293 6.600 1.00 0.00 H new ATOM 0 HA SER A 109 25.823 -0.044 8.144 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.334 -2.613 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.488 -1.367 9.784 1.00 0.00 H new ATOM 0 HG SER A 109 25.712 -2.797 10.207 1.00 0.00 H new ATOM 825 N VAL A 110 27.969 1.199 8.796 1.00 0.00 N ATOM 826 CA VAL A 110 29.096 2.120 8.880 1.00 0.00 C ATOM 827 C VAL A 110 30.420 1.366 8.924 1.00 0.00 C ATOM 828 O VAL A 110 31.416 1.808 8.351 1.00 0.00 O ATOM 829 CB VAL A 110 28.991 3.023 10.124 1.00 0.00 C ATOM 830 CG1 VAL A 110 27.891 4.057 9.942 1.00 0.00 C ATOM 831 CG2 VAL A 110 28.745 2.185 11.370 1.00 0.00 C ATOM 0 H VAL A 110 27.236 1.365 9.485 1.00 0.00 H new ATOM 0 HA VAL A 110 29.064 2.741 7.985 1.00 0.00 H new ATOM 0 HB VAL A 110 29.936 3.551 10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 110 27.832 4.685 10.831 1.00 0.00 H new ATOM 0 HG12 VAL A 110 28.114 4.677 9.073 1.00 0.00 H new ATOM 0 HG13 VAL A 110 26.937 3.551 9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 110 28.673 2.838 12.240 1.00 0.00 H new ATOM 0 HG22 VAL A 110 27.815 1.629 11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 110 29.571 1.487 11.508 1.00 0.00 H new ATOM 841 N GLU A 111 30.424 0.226 9.607 1.00 0.00 N ATOM 842 CA GLU A 111 31.627 -0.589 9.725 1.00 0.00 C ATOM 843 C GLU A 111 32.128 -1.022 8.350 1.00 0.00 C ATOM 844 O GLU A 111 33.333 -1.102 8.115 1.00 0.00 O ATOM 845 CB GLU A 111 31.353 -1.821 10.591 1.00 0.00 C ATOM 846 CG GLU A 111 30.900 -1.484 12.002 1.00 0.00 C ATOM 847 CD GLU A 111 31.105 -2.633 12.970 1.00 0.00 C ATOM 848 OE1 GLU A 111 30.202 -3.490 13.073 1.00 0.00 O ATOM 849 OE2 GLU A 111 32.167 -2.675 13.625 1.00 0.00 O ATOM 0 H GLU A 111 29.608 -0.154 10.087 1.00 0.00 H new ATOM 0 HA GLU A 111 32.399 0.016 10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 111 30.589 -2.431 10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 111 32.258 -2.426 10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 111 31.449 -0.612 12.357 1.00 0.00 H new ATOM 0 HG3 GLU A 111 29.845 -1.211 11.986 1.00 0.00 H new ATOM 856 N GLU A 112 31.193 -1.301 7.447 1.00 0.00 N ATOM 857 CA GLU A 112 31.540 -1.727 6.096 1.00 0.00 C ATOM 858 C GLU A 112 32.274 -0.618 5.347 1.00 0.00 C ATOM 859 O GLU A 112 33.422 -0.787 4.935 1.00 0.00 O ATOM 860 CB GLU A 112 30.281 -2.131 5.326 1.00 0.00 C ATOM 861 CG GLU A 112 30.206 -3.617 5.019 1.00 0.00 C ATOM 862 CD GLU A 112 31.347 -4.090 4.139 1.00 0.00 C ATOM 863 OE1 GLU A 112 31.301 -3.828 2.918 1.00 0.00 O ATOM 864 OE2 GLU A 112 32.285 -4.720 4.670 1.00 0.00 O ATOM 0 H GLU A 112 30.191 -1.240 7.626 1.00 0.00 H new ATOM 0 HA GLU A 112 32.202 -2.589 6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 112 29.403 -1.843 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 112 30.243 -1.573 4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 112 30.216 -4.178 5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 112 29.258 -3.835 4.527 1.00 0.00 H new ATOM 871 N ILE A 113 31.602 0.515 5.175 1.00 0.00 N ATOM 872 CA ILE A 113 32.190 1.652 4.476 1.00 0.00 C ATOM 873 C ILE A 113 33.531 2.040 5.089 1.00 0.00 C ATOM 874 O ILE A 113 34.491 2.331 4.375 1.00 0.00 O ATOM 875 CB ILE A 113 31.253 2.874 4.503 1.00 0.00 C ATOM 876 CG1 ILE A 113 29.972 2.580 3.720 1.00 0.00 C ATOM 877 CG2 ILE A 113 31.960 4.095 3.933 1.00 0.00 C ATOM 878 CD1 ILE A 113 28.709 2.936 4.472 1.00 0.00 C ATOM 0 H ILE A 113 30.651 0.671 5.509 1.00 0.00 H new ATOM 0 HA ILE A 113 32.342 1.343 3.442 1.00 0.00 H new ATOM 0 HB ILE A 113 30.983 3.084 5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 113 29.994 3.134 2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 113 29.947 1.521 3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 113 31.286 4.951 3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 113 32.846 4.313 4.529 1.00 0.00 H new ATOM 0 HG23 ILE A 113 32.255 3.896 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 113 27.841 2.701 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 113 28.663 2.363 5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 113 28.712 4.001 4.704 1.00 0.00 H new ATOM 890 N SER A 114 33.591 2.040 6.417 1.00 0.00 N ATOM 891 CA SER A 114 34.815 2.394 7.126 1.00 0.00 C ATOM 892 C SER A 114 35.932 1.404 6.810 1.00 0.00 C ATOM 893 O SER A 114 37.078 1.796 6.586 1.00 0.00 O ATOM 894 CB SER A 114 34.562 2.430 8.635 1.00 0.00 C ATOM 895 OG SER A 114 35.638 1.842 9.346 1.00 0.00 O ATOM 0 H SER A 114 32.807 1.799 7.023 1.00 0.00 H new ATOM 0 HA SER A 114 35.126 3.384 6.792 1.00 0.00 H new ATOM 0 HB2 SER A 114 34.428 3.462 8.960 1.00 0.00 H new ATOM 0 HB3 SER A 114 33.637 1.900 8.865 1.00 0.00 H new ATOM 0 HG SER A 114 36.299 2.531 9.568 1.00 0.00 H new ATOM 901 N ASP A 115 35.590 0.121 6.794 1.00 0.00 N ATOM 902 CA ASP A 115 36.563 -0.926 6.504 1.00 0.00 C ATOM 903 C ASP A 115 37.044 -0.836 5.059 1.00 0.00 C ATOM 904 O ASP A 115 38.198 -1.140 4.758 1.00 0.00 O ATOM 905 CB ASP A 115 35.954 -2.304 6.767 1.00 0.00 C ATOM 906 CG ASP A 115 36.450 -2.919 8.061 1.00 0.00 C ATOM 907 OD1 ASP A 115 36.744 -2.157 9.005 1.00 0.00 O ATOM 908 OD2 ASP A 115 36.546 -4.163 8.129 1.00 0.00 O ATOM 0 H ASP A 115 34.646 -0.220 6.978 1.00 0.00 H new ATOM 0 HA ASP A 115 37.420 -0.784 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 115 34.868 -2.217 6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 115 36.194 -2.968 5.937 1.00 0.00 H new ATOM 913 N VAL A 116 36.150 -0.418 4.168 1.00 0.00 N ATOM 914 CA VAL A 116 36.483 -0.288 2.754 1.00 0.00 C ATOM 915 C VAL A 116 37.331 0.953 2.501 1.00 0.00 C ATOM 916 O VAL A 116 38.205 0.955 1.634 1.00 0.00 O ATOM 917 CB VAL A 116 35.215 -0.217 1.883 1.00 0.00 C ATOM 918 CG1 VAL A 116 35.582 -0.037 0.418 1.00 0.00 C ATOM 919 CG2 VAL A 116 34.364 -1.463 2.079 1.00 0.00 C ATOM 0 H VAL A 116 35.190 -0.164 4.400 1.00 0.00 H new ATOM 0 HA VAL A 116 37.053 -1.176 2.480 1.00 0.00 H new ATOM 0 HB VAL A 116 34.629 0.648 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 116 34.673 0.011 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 116 36.147 0.887 0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 116 36.190 -0.880 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 116 33.472 -1.396 1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 116 34.939 -2.345 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 116 34.070 -1.542 3.126 1.00 0.00 H new ATOM 929 N LEU A 117 37.067 2.008 3.264 1.00 0.00 N ATOM 930 CA LEU A 117 37.806 3.258 3.123 1.00 0.00 C ATOM 931 C LEU A 117 39.028 3.273 4.035 1.00 0.00 C ATOM 932 O LEU A 117 39.827 4.209 4.003 1.00 0.00 O ATOM 933 CB LEU A 117 36.900 4.448 3.445 1.00 0.00 C ATOM 934 CG LEU A 117 36.798 5.525 2.365 1.00 0.00 C ATOM 935 CD1 LEU A 117 36.415 4.907 1.029 1.00 0.00 C ATOM 936 CD2 LEU A 117 35.791 6.592 2.769 1.00 0.00 C ATOM 0 H LEU A 117 36.347 2.023 3.986 1.00 0.00 H new ATOM 0 HA LEU A 117 38.145 3.337 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 117 35.898 4.071 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 117 37.259 4.915 4.362 1.00 0.00 H new ATOM 0 HG LEU A 117 37.774 5.997 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 117 36.347 5.689 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 117 37.172 4.181 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 117 35.451 4.408 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 117 35.732 7.350 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 117 34.811 6.134 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 117 36.108 7.057 3.703 1.00 0.00 H new ATOM 948 N ARG A 118 39.168 2.230 4.846 1.00 0.00 N ATOM 949 CA ARG A 118 40.294 2.123 5.767 1.00 0.00 C ATOM 950 C ARG A 118 40.298 3.283 6.758 1.00 0.00 C ATOM 951 O ARG A 118 41.317 3.571 7.387 1.00 0.00 O ATOM 952 CB ARG A 118 41.613 2.095 4.992 1.00 0.00 C ATOM 953 CG ARG A 118 41.682 0.993 3.948 1.00 0.00 C ATOM 954 CD ARG A 118 42.495 1.423 2.737 1.00 0.00 C ATOM 955 NE ARG A 118 42.927 0.282 1.934 1.00 0.00 N ATOM 956 CZ ARG A 118 43.679 0.393 0.845 1.00 0.00 C ATOM 957 NH1 ARG A 118 44.081 1.587 0.431 1.00 0.00 N ATOM 958 NH2 ARG A 118 44.032 -0.692 0.167 1.00 0.00 N ATOM 0 H ARG A 118 38.516 1.447 4.884 1.00 0.00 H new ATOM 0 HA ARG A 118 40.188 1.192 6.324 1.00 0.00 H new ATOM 0 HB2 ARG A 118 41.757 3.058 4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 118 42.436 1.969 5.696 1.00 0.00 H new ATOM 0 HG2 ARG A 118 42.127 0.101 4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 118 40.673 0.724 3.634 1.00 0.00 H new ATOM 0 HD2 ARG A 118 41.899 2.095 2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 118 43.369 1.985 3.068 1.00 0.00 H new ATOM 0 HE ARG A 118 42.635 -0.651 2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 118 43.813 2.423 0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 118 44.659 1.669 -0.406 1.00 0.00 H new ATOM 0 HH21 ARG A 118 43.726 -1.612 0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 118 44.610 -0.605 -0.669 1.00 0.00 H new ATOM 972 N CYS A 119 39.154 3.945 6.890 1.00 0.00 N ATOM 973 CA CYS A 119 39.026 5.076 7.803 1.00 0.00 C ATOM 974 C CYS A 119 38.188 4.699 9.021 1.00 0.00 C ATOM 975 O CYS A 119 37.500 3.678 9.021 1.00 0.00 O ATOM 976 CB CYS A 119 38.396 6.269 7.085 1.00 0.00 C ATOM 977 SG CYS A 119 39.557 7.605 6.714 1.00 0.00 S ATOM 0 H CYS A 119 38.302 3.719 6.377 1.00 0.00 H new ATOM 0 HA CYS A 119 40.024 5.352 8.143 1.00 0.00 H new ATOM 0 HB2 CYS A 119 37.947 5.923 6.154 1.00 0.00 H new ATOM 0 HB3 CYS A 119 37.588 6.665 7.701 1.00 0.00 H new ATOM 0 HG CYS A 119 39.289 8.633 7.462 1.00 0.00 H new ATOM 983 N SER A 120 38.252 5.529 10.057 1.00 0.00 N ATOM 984 CA SER A 120 37.504 5.280 11.283 1.00 0.00 C ATOM 985 C SER A 120 36.002 5.372 11.031 1.00 0.00 C ATOM 986 O SER A 120 35.543 6.198 10.241 1.00 0.00 O ATOM 987 CB SER A 120 37.913 6.279 12.367 1.00 0.00 C ATOM 988 OG SER A 120 39.303 6.205 12.630 1.00 0.00 O ATOM 0 H SER A 120 38.814 6.380 10.072 1.00 0.00 H new ATOM 0 HA SER A 120 37.737 4.271 11.623 1.00 0.00 H new ATOM 0 HB2 SER A 120 37.653 7.289 12.052 1.00 0.00 H new ATOM 0 HB3 SER A 120 37.355 6.077 13.281 1.00 0.00 H new ATOM 0 HG SER A 120 39.539 6.854 13.325 1.00 0.00 H new ATOM 994 N VAL A 121 35.241 4.518 11.708 1.00 0.00 N ATOM 995 CA VAL A 121 33.791 4.503 11.559 1.00 0.00 C ATOM 996 C VAL A 121 33.172 5.801 12.065 1.00 0.00 C ATOM 997 O VAL A 121 32.204 6.302 11.495 1.00 0.00 O ATOM 998 CB VAL A 121 33.161 3.318 12.316 1.00 0.00 C ATOM 999 CG1 VAL A 121 31.644 3.423 12.305 1.00 0.00 C ATOM 1000 CG2 VAL A 121 33.618 1.998 11.713 1.00 0.00 C ATOM 0 H VAL A 121 35.605 3.828 12.365 1.00 0.00 H new ATOM 0 HA VAL A 121 33.584 4.396 10.494 1.00 0.00 H new ATOM 0 HB VAL A 121 33.495 3.352 13.353 1.00 0.00 H new ATOM 0 HG11 VAL A 121 31.217 2.578 12.844 1.00 0.00 H new ATOM 0 HG12 VAL A 121 31.340 4.352 12.787 1.00 0.00 H new ATOM 0 HG13 VAL A 121 31.286 3.415 11.275 1.00 0.00 H new ATOM 0 HG21 VAL A 121 33.164 1.172 12.260 1.00 0.00 H new ATOM 0 HG22 VAL A 121 33.315 1.951 10.667 1.00 0.00 H new ATOM 0 HG23 VAL A 121 34.703 1.924 11.780 1.00 0.00 H new ATOM 1010 N GLU A 122 33.739 6.341 13.140 1.00 0.00 N ATOM 1011 CA GLU A 122 33.242 7.582 13.723 1.00 0.00 C ATOM 1012 C GLU A 122 33.089 8.661 12.656 1.00 0.00 C ATOM 1013 O GLU A 122 32.057 9.326 12.574 1.00 0.00 O ATOM 1014 CB GLU A 122 34.187 8.068 14.824 1.00 0.00 C ATOM 1015 CG GLU A 122 35.641 8.140 14.390 1.00 0.00 C ATOM 1016 CD GLU A 122 36.591 8.320 15.559 1.00 0.00 C ATOM 1017 OE1 GLU A 122 36.868 9.481 15.925 1.00 0.00 O ATOM 1018 OE2 GLU A 122 37.056 7.299 16.107 1.00 0.00 O ATOM 0 H GLU A 122 34.542 5.939 13.624 1.00 0.00 H new ATOM 0 HA GLU A 122 32.262 7.383 14.157 1.00 0.00 H new ATOM 0 HB2 GLU A 122 33.867 9.055 15.156 1.00 0.00 H new ATOM 0 HB3 GLU A 122 34.105 7.401 15.682 1.00 0.00 H new ATOM 0 HG2 GLU A 122 35.901 7.228 13.852 1.00 0.00 H new ATOM 0 HG3 GLU A 122 35.768 8.968 13.693 1.00 0.00 H new ATOM 1025 N GLU A 123 34.126 8.830 11.840 1.00 0.00 N ATOM 1026 CA GLU A 123 34.107 9.830 10.779 1.00 0.00 C ATOM 1027 C GLU A 123 33.031 9.506 9.746 1.00 0.00 C ATOM 1028 O GLU A 123 32.271 10.382 9.329 1.00 0.00 O ATOM 1029 CB GLU A 123 35.475 9.909 10.099 1.00 0.00 C ATOM 1030 CG GLU A 123 35.887 11.323 9.725 1.00 0.00 C ATOM 1031 CD GLU A 123 34.968 11.945 8.691 1.00 0.00 C ATOM 1032 OE1 GLU A 123 34.777 11.332 7.621 1.00 0.00 O ATOM 1033 OE2 GLU A 123 34.439 13.046 8.955 1.00 0.00 O ATOM 0 H GLU A 123 34.988 8.288 11.894 1.00 0.00 H new ATOM 0 HA GLU A 123 33.876 10.796 11.228 1.00 0.00 H new ATOM 0 HB2 GLU A 123 36.227 9.484 10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 123 35.460 9.294 9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 123 35.893 11.944 10.621 1.00 0.00 H new ATOM 0 HG3 GLU A 123 36.906 11.310 9.339 1.00 0.00 H new ATOM 1040 N LEU A 124 32.973 8.244 9.337 1.00 0.00 N ATOM 1041 CA LEU A 124 31.991 7.803 8.352 1.00 0.00 C ATOM 1042 C LEU A 124 30.571 8.001 8.873 1.00 0.00 C ATOM 1043 O LEU A 124 29.643 8.234 8.099 1.00 0.00 O ATOM 1044 CB LEU A 124 32.217 6.332 8.000 1.00 0.00 C ATOM 1045 CG LEU A 124 31.284 5.744 6.941 1.00 0.00 C ATOM 1046 CD1 LEU A 124 29.976 5.292 7.574 1.00 0.00 C ATOM 1047 CD2 LEU A 124 31.022 6.758 5.838 1.00 0.00 C ATOM 0 H LEU A 124 33.594 7.508 9.672 1.00 0.00 H new ATOM 0 HA LEU A 124 32.117 8.408 7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 124 33.244 6.215 7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 124 32.118 5.742 8.911 1.00 0.00 H new ATOM 0 HG LEU A 124 31.770 4.874 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 124 29.324 4.876 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 124 30.180 4.531 8.327 1.00 0.00 H new ATOM 0 HD13 LEU A 124 29.485 6.145 8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 124 30.356 6.322 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 124 30.557 7.647 6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 124 31.965 7.033 5.365 1.00 0.00 H new ATOM 1059 N GLU A 125 30.410 7.907 10.189 1.00 0.00 N ATOM 1060 CA GLU A 125 29.103 8.077 10.812 1.00 0.00 C ATOM 1061 C GLU A 125 28.702 9.549 10.842 1.00 0.00 C ATOM 1062 O GLU A 125 27.564 9.901 10.529 1.00 0.00 O ATOM 1063 CB GLU A 125 29.114 7.511 12.234 1.00 0.00 C ATOM 1064 CG GLU A 125 28.537 8.460 13.271 1.00 0.00 C ATOM 1065 CD GLU A 125 28.371 7.808 14.630 1.00 0.00 C ATOM 1066 OE1 GLU A 125 29.394 7.601 15.317 1.00 0.00 O ATOM 1067 OE2 GLU A 125 27.220 7.504 15.006 1.00 0.00 O ATOM 0 H GLU A 125 31.168 7.714 10.844 1.00 0.00 H new ATOM 0 HA GLU A 125 28.371 7.531 10.217 1.00 0.00 H new ATOM 0 HB2 GLU A 125 28.547 6.580 12.250 1.00 0.00 H new ATOM 0 HB3 GLU A 125 30.139 7.264 12.510 1.00 0.00 H new ATOM 0 HG2 GLU A 125 29.189 9.328 13.366 1.00 0.00 H new ATOM 0 HG3 GLU A 125 27.569 8.824 12.926 1.00 0.00 H new ATOM 1074 N LYS A 126 29.644 10.405 11.221 1.00 0.00 N ATOM 1075 CA LYS A 126 29.391 11.840 11.291 1.00 0.00 C ATOM 1076 C LYS A 126 29.051 12.401 9.915 1.00 0.00 C ATOM 1077 O LYS A 126 28.176 13.257 9.781 1.00 0.00 O ATOM 1078 CB LYS A 126 30.612 12.566 11.862 1.00 0.00 C ATOM 1079 CG LYS A 126 31.481 13.220 10.802 1.00 0.00 C ATOM 1080 CD LYS A 126 32.726 13.844 11.409 1.00 0.00 C ATOM 1081 CE LYS A 126 32.376 14.993 12.342 1.00 0.00 C ATOM 1082 NZ LYS A 126 33.582 15.768 12.745 1.00 0.00 N ATOM 0 H LYS A 126 30.590 10.131 11.485 1.00 0.00 H new ATOM 0 HA LYS A 126 28.538 12.001 11.950 1.00 0.00 H new ATOM 0 HB2 LYS A 126 30.275 13.328 12.565 1.00 0.00 H new ATOM 0 HB3 LYS A 126 31.215 11.856 12.427 1.00 0.00 H new ATOM 0 HG2 LYS A 126 31.771 12.477 10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 126 30.906 13.986 10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 126 33.284 13.085 11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 126 33.378 14.206 10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 126 31.666 15.657 11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 126 31.882 14.601 13.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 33.301 16.542 13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 34.249 15.141 13.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 34.039 16.164 11.899 1.00 0.00 H new ATOM 1096 N VAL A 127 29.746 11.911 8.893 1.00 0.00 N ATOM 1097 CA VAL A 127 29.515 12.362 7.525 1.00 0.00 C ATOM 1098 C VAL A 127 28.196 11.822 6.984 1.00 0.00 C ATOM 1099 O VAL A 127 27.457 12.530 6.299 1.00 0.00 O ATOM 1100 CB VAL A 127 30.658 11.927 6.590 1.00 0.00 C ATOM 1101 CG1 VAL A 127 31.968 12.577 7.008 1.00 0.00 C ATOM 1102 CG2 VAL A 127 30.787 10.411 6.577 1.00 0.00 C ATOM 0 H VAL A 127 30.473 11.202 8.986 1.00 0.00 H new ATOM 0 HA VAL A 127 29.474 13.451 7.553 1.00 0.00 H new ATOM 0 HB VAL A 127 30.422 12.259 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 127 32.764 12.257 6.335 1.00 0.00 H new ATOM 0 HG12 VAL A 127 31.867 13.661 6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 127 32.213 12.279 8.027 1.00 0.00 H new ATOM 0 HG21 VAL A 127 31.600 10.121 5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 127 30.999 10.055 7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 127 29.854 9.969 6.225 1.00 0.00 H new ATOM 1112 N ARG A 128 27.906 10.563 7.296 1.00 0.00 N ATOM 1113 CA ARG A 128 26.676 9.926 6.840 1.00 0.00 C ATOM 1114 C ARG A 128 25.455 10.594 7.465 1.00 0.00 C ATOM 1115 O ARG A 128 24.466 10.862 6.783 1.00 0.00 O ATOM 1116 CB ARG A 128 26.690 8.436 7.186 1.00 0.00 C ATOM 1117 CG ARG A 128 27.098 7.545 6.024 1.00 0.00 C ATOM 1118 CD ARG A 128 25.889 6.897 5.367 1.00 0.00 C ATOM 1119 NE ARG A 128 25.156 6.040 6.295 1.00 0.00 N ATOM 1120 CZ ARG A 128 24.009 5.442 5.993 1.00 0.00 C ATOM 1121 NH1 ARG A 128 23.468 5.606 4.794 1.00 0.00 N ATOM 1122 NH2 ARG A 128 23.401 4.677 6.891 1.00 0.00 N ATOM 0 H ARG A 128 28.506 9.964 7.863 1.00 0.00 H new ATOM 0 HA ARG A 128 26.616 10.039 5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 128 27.375 8.271 8.017 1.00 0.00 H new ATOM 0 HB3 ARG A 128 25.698 8.142 7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 128 27.642 8.134 5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 128 27.779 6.771 6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 128 25.224 7.672 4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 128 26.215 6.308 4.510 1.00 0.00 H new ATOM 0 HE ARG A 128 25.546 5.893 7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 128 23.933 6.192 4.101 1.00 0.00 H new ATOM 0 HH12 ARG A 128 22.587 5.146 4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 128 23.814 4.548 7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 128 22.520 4.218 6.658 1.00 0.00 H new ATOM 1136 N GLN A 129 25.532 10.858 8.765 1.00 0.00 N ATOM 1137 CA GLN A 129 24.432 11.492 9.482 1.00 0.00 C ATOM 1138 C GLN A 129 24.275 12.949 9.058 1.00 0.00 C ATOM 1139 O GLN A 129 23.162 13.473 9.001 1.00 0.00 O ATOM 1140 CB GLN A 129 24.664 11.411 10.992 1.00 0.00 C ATOM 1141 CG GLN A 129 25.702 12.398 11.502 1.00 0.00 C ATOM 1142 CD GLN A 129 25.832 12.379 13.012 1.00 0.00 C ATOM 1143 OE1 GLN A 129 26.932 12.248 13.550 1.00 0.00 O ATOM 1144 NE2 GLN A 129 24.708 12.511 13.705 1.00 0.00 N ATOM 0 H GLN A 129 26.344 10.643 9.343 1.00 0.00 H new ATOM 0 HA GLN A 129 23.515 10.958 9.234 1.00 0.00 H new ATOM 0 HB2 GLN A 129 23.720 11.591 11.506 1.00 0.00 H new ATOM 0 HB3 GLN A 129 24.979 10.400 11.249 1.00 0.00 H new ATOM 0 HG2 GLN A 129 26.669 12.166 11.055 1.00 0.00 H new ATOM 0 HG3 GLN A 129 25.433 13.403 11.177 1.00 0.00 H new ATOM 0 HE21 GLN A 129 23.818 12.617 13.218 1.00 0.00 H new ATOM 0 HE22 GLN A 129 24.734 12.506 14.725 1.00 0.00 H new ATOM 1153 N LYS A 130 25.395 13.598 8.761 1.00 0.00 N ATOM 1154 CA LYS A 130 25.383 14.994 8.341 1.00 0.00 C ATOM 1155 C LYS A 130 24.713 15.147 6.979 1.00 0.00 C ATOM 1156 O LYS A 130 23.993 16.115 6.736 1.00 0.00 O ATOM 1157 CB LYS A 130 26.810 15.543 8.283 1.00 0.00 C ATOM 1158 CG LYS A 130 27.256 16.215 9.570 1.00 0.00 C ATOM 1159 CD LYS A 130 27.752 17.629 9.318 1.00 0.00 C ATOM 1160 CE LYS A 130 28.865 18.010 10.283 1.00 0.00 C ATOM 1161 NZ LYS A 130 29.247 19.443 10.152 1.00 0.00 N ATOM 0 H LYS A 130 26.324 13.179 8.803 1.00 0.00 H new ATOM 0 HA LYS A 130 24.811 15.563 9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 130 27.495 14.727 8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 130 26.882 16.260 7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 130 26.425 16.240 10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 130 28.049 15.627 10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 130 28.114 17.712 8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 130 26.924 18.330 9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 130 28.543 17.812 11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 130 29.737 17.383 10.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 30.008 19.662 10.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 29.579 19.627 9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 28.421 20.042 10.355 1.00 0.00 H new ATOM 1175 N VAL A 131 24.953 14.184 6.095 1.00 0.00 N ATOM 1176 CA VAL A 131 24.371 14.210 4.759 1.00 0.00 C ATOM 1177 C VAL A 131 22.993 13.558 4.746 1.00 0.00 C ATOM 1178 O VAL A 131 22.188 13.798 3.846 1.00 0.00 O ATOM 1179 CB VAL A 131 25.275 13.494 3.738 1.00 0.00 C ATOM 1180 CG1 VAL A 131 26.652 14.139 3.699 1.00 0.00 C ATOM 1181 CG2 VAL A 131 25.381 12.013 4.068 1.00 0.00 C ATOM 0 H VAL A 131 25.547 13.376 6.280 1.00 0.00 H new ATOM 0 HA VAL A 131 24.276 15.258 4.477 1.00 0.00 H new ATOM 0 HB VAL A 131 24.826 13.592 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 131 27.277 13.620 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 131 26.555 15.186 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 131 27.112 14.074 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 131 26.023 11.522 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.807 11.892 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 131 24.389 11.562 4.040 1.00 0.00 H new ATOM 1191 N LEU A 132 22.727 12.732 5.752 1.00 0.00 N ATOM 1192 CA LEU A 132 21.445 12.044 5.859 1.00 0.00 C ATOM 1193 C LEU A 132 20.404 12.933 6.529 1.00 0.00 C ATOM 1194 O LEU A 132 19.208 12.816 6.262 1.00 0.00 O ATOM 1195 CB LEU A 132 21.606 10.743 6.648 1.00 0.00 C ATOM 1196 CG LEU A 132 20.324 10.151 7.234 1.00 0.00 C ATOM 1197 CD1 LEU A 132 20.315 8.638 7.079 1.00 0.00 C ATOM 1198 CD2 LEU A 132 20.178 10.539 8.698 1.00 0.00 C ATOM 0 H LEU A 132 23.382 12.522 6.505 1.00 0.00 H new ATOM 0 HA LEU A 132 21.101 11.810 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 132 22.060 9.999 5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 132 22.307 10.921 7.464 1.00 0.00 H new ATOM 0 HG LEU A 132 19.475 10.557 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 132 19.395 8.234 7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 132 20.372 8.380 6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 132 21.172 8.214 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 132 19.260 10.109 9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 132 21.031 10.162 9.261 1.00 0.00 H new ATOM 0 HD23 LEU A 132 20.138 11.625 8.784 1.00 0.00 H new ATOM 1210 N ARG A 133 20.867 13.825 7.400 1.00 0.00 N ATOM 1211 CA ARG A 133 19.975 14.735 8.108 1.00 0.00 C ATOM 1212 C ARG A 133 19.052 15.460 7.132 1.00 0.00 C ATOM 1213 O ARG A 133 17.921 15.810 7.474 1.00 0.00 O ATOM 1214 CB ARG A 133 20.785 15.754 8.912 1.00 0.00 C ATOM 1215 CG ARG A 133 21.355 16.882 8.068 1.00 0.00 C ATOM 1216 CD ARG A 133 22.446 17.637 8.810 1.00 0.00 C ATOM 1217 NE ARG A 133 22.641 18.982 8.276 1.00 0.00 N ATOM 1218 CZ ARG A 133 23.369 19.914 8.881 1.00 0.00 C ATOM 1219 NH1 ARG A 133 23.968 19.648 10.033 1.00 0.00 N ATOM 1220 NH2 ARG A 133 23.500 21.116 8.332 1.00 0.00 N ATOM 0 H ARG A 133 21.854 13.936 7.632 1.00 0.00 H new ATOM 0 HA ARG A 133 19.363 14.146 8.791 1.00 0.00 H new ATOM 0 HB2 ARG A 133 20.150 16.179 9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.603 15.239 9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 133 21.759 16.476 7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.557 17.571 7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 133 22.188 17.701 9.867 1.00 0.00 H new ATOM 0 HD3 ARG A 133 23.381 17.081 8.743 1.00 0.00 H new ATOM 0 HE ARG A 133 22.194 19.219 7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 133 23.871 18.726 10.457 1.00 0.00 H new ATOM 0 HH12 ARG A 133 24.526 20.366 10.495 1.00 0.00 H new ATOM 0 HH21 ARG A 133 23.041 21.324 7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 133 24.059 21.831 8.797 1.00 0.00 H new ATOM 1234 N LEU A 134 19.541 15.682 5.917 1.00 0.00 N ATOM 1235 CA LEU A 134 18.760 16.366 4.892 1.00 0.00 C ATOM 1236 C LEU A 134 17.405 15.691 4.699 1.00 0.00 C ATOM 1237 O LEU A 134 16.377 16.360 4.607 1.00 0.00 O ATOM 1238 CB LEU A 134 19.526 16.385 3.568 1.00 0.00 C ATOM 1239 CG LEU A 134 20.299 17.667 3.258 1.00 0.00 C ATOM 1240 CD1 LEU A 134 19.353 18.856 3.186 1.00 0.00 C ATOM 1241 CD2 LEU A 134 21.379 17.905 4.303 1.00 0.00 C ATOM 0 H LEU A 134 20.474 15.399 5.618 1.00 0.00 H new ATOM 0 HA LEU A 134 18.591 17.391 5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 134 20.228 15.552 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 134 18.818 16.207 2.759 1.00 0.00 H new ATOM 0 HG LEU A 134 20.781 17.552 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 134 19.921 19.760 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 134 18.617 18.688 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 134 18.843 18.973 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 134 21.919 18.822 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 134 20.919 17.999 5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 134 22.074 17.065 4.306 1.00 0.00 H new ATOM 1253 N GLU A 135 17.414 14.363 4.642 1.00 0.00 N ATOM 1254 CA GLU A 135 16.185 13.599 4.462 1.00 0.00 C ATOM 1255 C GLU A 135 15.952 12.658 5.640 1.00 0.00 C ATOM 1256 O GLU A 135 14.890 12.048 5.758 1.00 0.00 O ATOM 1257 CB GLU A 135 16.242 12.799 3.159 1.00 0.00 C ATOM 1258 CG GLU A 135 17.425 11.848 3.080 1.00 0.00 C ATOM 1259 CD GLU A 135 17.402 10.992 1.829 1.00 0.00 C ATOM 1260 OE1 GLU A 135 16.304 10.784 1.271 1.00 0.00 O ATOM 1261 OE2 GLU A 135 18.483 10.528 1.408 1.00 0.00 O ATOM 0 H GLU A 135 18.257 13.794 4.718 1.00 0.00 H new ATOM 0 HA GLU A 135 15.354 14.303 4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 135 15.320 12.228 3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 135 16.287 13.492 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 135 18.351 12.423 3.106 1.00 0.00 H new ATOM 0 HG3 GLU A 135 17.426 11.202 3.958 1.00 0.00 H new TER 1268 GLU A 135