USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 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 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 -119:sc= 1.25 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.52 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00889 USER MOD Single : A 78 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.9!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.269 F(o=-1.1,f=-0.27) USER MOD Single : A 80 ASN : amide:sc= -1.87 X(o=-1.9,f=-2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 155:sc= -0.0807 (180deg=-0.475) USER MOD Single : A 90 GLN : amide:sc= -1.25 X(o=-1.2,f=-0.76) USER MOD Single : A 98 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.326 K(o=0.33,f=-2.2!) USER MOD Single : A 103 LYS NZ :NH3+ 152:sc= -0.0718 (180deg=-0.583) USER MOD Single : A 107 SER OG : rot -170:sc= -1.34 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 75:sc= 1.26 USER MOD Single : A 119 CYS SG : rot 63:sc= -0.36 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 X(o=0,f=-0.15) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 60 0.583 3.788 1.260 1.00 0.00 N ATOM 2 CA LYS A 60 0.446 2.415 1.730 1.00 0.00 C ATOM 3 C LYS A 60 0.073 1.482 0.583 1.00 0.00 C ATOM 4 O LYS A 60 0.580 0.364 0.490 1.00 0.00 O ATOM 5 CB LYS A 60 -0.613 2.334 2.832 1.00 0.00 C ATOM 6 CG LYS A 60 -0.311 1.287 3.890 1.00 0.00 C ATOM 7 CD LYS A 60 -0.948 -0.050 3.548 1.00 0.00 C ATOM 8 CE LYS A 60 -0.784 -1.051 4.682 1.00 0.00 C ATOM 9 NZ LYS A 60 -0.948 -2.454 4.210 1.00 0.00 N ATOM 0 HA LYS A 60 1.407 2.099 2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.701 3.309 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.580 2.113 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.768 1.164 3.984 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.678 1.629 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.008 0.094 3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.495 -0.449 2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.202 -0.932 5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.517 -0.841 5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.829 -3.106 5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.898 -2.575 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.232 -2.662 3.485 1.00 0.00 H new ATOM 23 N GLU A 61 -0.815 1.949 -0.289 1.00 0.00 N ATOM 24 CA GLU A 61 -1.255 1.155 -1.430 1.00 0.00 C ATOM 25 C GLU A 61 -0.138 1.020 -2.462 1.00 0.00 C ATOM 26 O GLU A 61 0.479 -0.037 -2.592 1.00 0.00 O ATOM 27 CB GLU A 61 -2.488 1.790 -2.077 1.00 0.00 C ATOM 28 CG GLU A 61 -3.752 1.648 -1.246 1.00 0.00 C ATOM 29 CD GLU A 61 -4.499 0.360 -1.536 1.00 0.00 C ATOM 30 OE1 GLU A 61 -4.786 0.096 -2.723 1.00 0.00 O ATOM 31 OE2 GLU A 61 -4.796 -0.383 -0.578 1.00 0.00 O ATOM 0 H GLU A 61 -1.244 2.873 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.515 0.160 -1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.293 2.849 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.652 1.333 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.493 1.683 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.408 2.496 -1.441 1.00 0.00 H new ATOM 38 N THR A 62 0.116 2.100 -3.195 1.00 0.00 N ATOM 39 CA THR A 62 1.156 2.103 -4.216 1.00 0.00 C ATOM 40 C THR A 62 2.544 2.073 -3.587 1.00 0.00 C ATOM 41 O THR A 62 2.682 2.067 -2.364 1.00 0.00 O ATOM 42 CB THR A 62 1.044 3.340 -5.128 1.00 0.00 C ATOM 43 OG1 THR A 62 1.214 4.534 -4.356 1.00 0.00 O ATOM 44 CG2 THR A 62 -0.304 3.373 -5.832 1.00 0.00 C ATOM 0 H THR A 62 -0.385 2.984 -3.100 1.00 0.00 H new ATOM 0 HA THR A 62 1.013 1.204 -4.816 1.00 0.00 H new ATOM 0 HB THR A 62 1.828 3.280 -5.882 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.143 5.316 -4.943 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.360 4.255 -6.470 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.418 2.476 -6.441 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.101 3.411 -5.090 1.00 0.00 H new ATOM 52 N VAL A 63 3.571 2.056 -4.431 1.00 0.00 N ATOM 53 CA VAL A 63 4.949 2.029 -3.958 1.00 0.00 C ATOM 54 C VAL A 63 5.668 3.333 -4.283 1.00 0.00 C ATOM 55 O VAL A 63 5.302 4.058 -5.209 1.00 0.00 O ATOM 56 CB VAL A 63 5.732 0.856 -4.577 1.00 0.00 C ATOM 57 CG1 VAL A 63 5.340 -0.457 -3.915 1.00 0.00 C ATOM 58 CG2 VAL A 63 5.501 0.795 -6.079 1.00 0.00 C ATOM 0 H VAL A 63 3.474 2.060 -5.446 1.00 0.00 H new ATOM 0 HA VAL A 63 4.909 1.900 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 63 6.795 1.020 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.903 -1.274 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.562 -0.408 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.273 -0.631 -4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.062 -0.040 -6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.439 0.656 -6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.837 1.725 -6.537 1.00 0.00 H new ATOM 68 N PRO A 64 6.717 3.641 -3.506 1.00 0.00 N ATOM 69 CA PRO A 64 7.510 4.859 -3.693 1.00 0.00 C ATOM 70 C PRO A 64 8.344 4.818 -4.969 1.00 0.00 C ATOM 71 O PRO A 64 8.176 3.928 -5.803 1.00 0.00 O ATOM 72 CB PRO A 64 8.419 4.883 -2.461 1.00 0.00 C ATOM 73 CG PRO A 64 8.529 3.457 -2.044 1.00 0.00 C ATOM 74 CD PRO A 64 7.209 2.823 -2.385 1.00 0.00 C ATOM 0 HA PRO A 64 6.881 5.743 -3.793 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.397 5.303 -2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.993 5.496 -1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.347 2.960 -2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.736 3.377 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.327 1.778 -2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.522 2.846 -1.539 1.00 0.00 H new ATOM 82 N TYR A 65 9.242 5.785 -5.115 1.00 0.00 N ATOM 83 CA TYR A 65 10.101 5.861 -6.291 1.00 0.00 C ATOM 84 C TYR A 65 11.569 5.713 -5.904 1.00 0.00 C ATOM 85 O TYR A 65 12.409 5.370 -6.735 1.00 0.00 O ATOM 86 CB TYR A 65 9.885 7.187 -7.022 1.00 0.00 C ATOM 87 CG TYR A 65 10.054 7.086 -8.521 1.00 0.00 C ATOM 88 CD1 TYR A 65 9.269 6.220 -9.272 1.00 0.00 C ATOM 89 CD2 TYR A 65 10.997 7.860 -9.187 1.00 0.00 C ATOM 90 CE1 TYR A 65 9.421 6.124 -10.641 1.00 0.00 C ATOM 91 CE2 TYR A 65 11.154 7.772 -10.556 1.00 0.00 C ATOM 92 CZ TYR A 65 10.364 6.903 -11.279 1.00 0.00 C ATOM 93 OH TYR A 65 10.517 6.812 -12.644 1.00 0.00 O ATOM 0 H TYR A 65 9.394 6.528 -4.433 1.00 0.00 H new ATOM 0 HA TYR A 65 9.835 5.040 -6.957 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.883 7.555 -6.802 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.588 7.925 -6.634 1.00 0.00 H new ATOM 0 HD1 TYR A 65 8.527 5.611 -8.776 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.617 8.542 -8.624 1.00 0.00 H new ATOM 0 HE1 TYR A 65 8.805 5.443 -11.209 1.00 0.00 H new ATOM 0 HE2 TYR A 65 11.892 8.381 -11.058 1.00 0.00 H new ATOM 0 HH TYR A 65 11.222 7.427 -12.936 1.00 0.00 H new ATOM 103 N GLN A 66 11.869 5.975 -4.636 1.00 0.00 N ATOM 104 CA GLN A 66 13.236 5.872 -4.138 1.00 0.00 C ATOM 105 C GLN A 66 13.489 4.499 -3.524 1.00 0.00 C ATOM 106 O GLN A 66 14.318 4.354 -2.624 1.00 0.00 O ATOM 107 CB GLN A 66 13.508 6.965 -3.102 1.00 0.00 C ATOM 108 CG GLN A 66 12.495 6.994 -1.969 1.00 0.00 C ATOM 109 CD GLN A 66 12.870 7.977 -0.877 1.00 0.00 C ATOM 110 OE1 GLN A 66 12.242 9.025 -0.726 1.00 0.00 O ATOM 111 NE2 GLN A 66 13.899 7.642 -0.107 1.00 0.00 N ATOM 0 H GLN A 66 11.185 6.260 -3.935 1.00 0.00 H new ATOM 0 HA GLN A 66 13.914 6.004 -4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.504 6.818 -2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.511 7.934 -3.601 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.516 7.257 -2.369 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.407 5.996 -1.540 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.391 6.763 -0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.197 8.264 0.645 1.00 0.00 H new ATOM 120 N ILE A 67 12.771 3.495 -4.015 1.00 0.00 N ATOM 121 CA ILE A 67 12.919 2.134 -3.515 1.00 0.00 C ATOM 122 C ILE A 67 13.148 1.150 -4.658 1.00 0.00 C ATOM 123 O ILE A 67 12.415 1.128 -5.647 1.00 0.00 O ATOM 124 CB ILE A 67 11.682 1.692 -2.711 1.00 0.00 C ATOM 125 CG1 ILE A 67 11.560 2.515 -1.428 1.00 0.00 C ATOM 126 CG2 ILE A 67 11.763 0.207 -2.389 1.00 0.00 C ATOM 127 CD1 ILE A 67 12.713 2.315 -0.469 1.00 0.00 C ATOM 0 H ILE A 67 12.081 3.598 -4.759 1.00 0.00 H new ATOM 0 HA ILE A 67 13.789 2.132 -2.858 1.00 0.00 H new ATOM 0 HB ILE A 67 10.792 1.865 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 67 11.494 3.571 -1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 67 10.630 2.252 -0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 67 10.882 -0.091 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 67 11.807 -0.364 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.658 0.011 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 67 12.559 2.930 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.767 1.266 -0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.645 2.605 -0.955 1.00 0.00 H new ATOM 139 N PRO A 68 14.187 0.314 -4.520 1.00 0.00 N ATOM 140 CA PRO A 68 15.067 0.332 -3.347 1.00 0.00 C ATOM 141 C PRO A 68 15.939 1.581 -3.295 1.00 0.00 C ATOM 142 O PRO A 68 16.004 2.262 -2.272 1.00 0.00 O ATOM 143 CB PRO A 68 15.933 -0.917 -3.535 1.00 0.00 C ATOM 144 CG PRO A 68 15.932 -1.161 -5.004 1.00 0.00 C ATOM 145 CD PRO A 68 14.585 -0.712 -5.498 1.00 0.00 C ATOM 0 HA PRO A 68 14.503 0.341 -2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 68 16.944 -0.757 -3.161 1.00 0.00 H new ATOM 0 HB3 PRO A 68 15.523 -1.768 -2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 68 16.732 -0.605 -5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 68 16.097 -2.216 -5.224 1.00 0.00 H new ATOM 0 HD2 PRO A 68 14.643 -0.304 -6.507 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.873 -1.537 -5.528 1.00 0.00 H new ATOM 153 N TYR A 69 16.607 1.878 -4.405 1.00 0.00 N ATOM 154 CA TYR A 69 17.477 3.045 -4.484 1.00 0.00 C ATOM 155 C TYR A 69 17.318 3.752 -5.827 1.00 0.00 C ATOM 156 O TYR A 69 17.202 3.109 -6.871 1.00 0.00 O ATOM 157 CB TYR A 69 18.936 2.635 -4.281 1.00 0.00 C ATOM 158 CG TYR A 69 19.402 1.559 -5.236 1.00 0.00 C ATOM 159 CD1 TYR A 69 19.216 0.214 -4.942 1.00 0.00 C ATOM 160 CD2 TYR A 69 20.028 1.888 -6.432 1.00 0.00 C ATOM 161 CE1 TYR A 69 19.641 -0.772 -5.812 1.00 0.00 C ATOM 162 CE2 TYR A 69 20.454 0.909 -7.308 1.00 0.00 C ATOM 163 CZ TYR A 69 20.258 -0.420 -6.993 1.00 0.00 C ATOM 164 OH TYR A 69 20.683 -1.399 -7.863 1.00 0.00 O ATOM 0 H TYR A 69 16.562 1.326 -5.262 1.00 0.00 H new ATOM 0 HA TYR A 69 17.188 3.736 -3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 69 19.571 3.513 -4.399 1.00 0.00 H new ATOM 0 HB3 TYR A 69 19.066 2.282 -3.258 1.00 0.00 H new ATOM 0 HD1 TYR A 69 18.731 -0.066 -4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 69 20.184 2.927 -6.681 1.00 0.00 H new ATOM 0 HE1 TYR A 69 19.490 -1.813 -5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 69 20.938 1.182 -8.234 1.00 0.00 H new ATOM 0 HH TYR A 69 21.654 -1.333 -7.981 1.00 0.00 H new ATOM 174 N THR A 70 17.315 5.081 -5.792 1.00 0.00 N ATOM 175 CA THR A 70 17.170 5.877 -7.004 1.00 0.00 C ATOM 176 C THR A 70 18.500 6.498 -7.417 1.00 0.00 C ATOM 177 O THR A 70 19.406 6.679 -6.603 1.00 0.00 O ATOM 178 CB THR A 70 16.129 6.997 -6.820 1.00 0.00 C ATOM 179 OG1 THR A 70 15.839 7.172 -5.429 1.00 0.00 O ATOM 180 CG2 THR A 70 14.847 6.674 -7.573 1.00 0.00 C ATOM 0 H THR A 70 17.411 5.629 -4.937 1.00 0.00 H new ATOM 0 HA THR A 70 16.829 5.200 -7.787 1.00 0.00 H new ATOM 0 HB THR A 70 16.546 7.920 -7.223 1.00 0.00 H new ATOM 0 HG1 THR A 70 15.178 7.887 -5.320 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.127 7.479 -7.428 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.066 6.570 -8.636 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.429 5.741 -7.195 1.00 0.00 H new ATOM 188 N PRO A 71 18.622 6.833 -8.710 1.00 0.00 N ATOM 189 CA PRO A 71 19.838 7.440 -9.258 1.00 0.00 C ATOM 190 C PRO A 71 20.045 8.869 -8.768 1.00 0.00 C ATOM 191 O PRO A 71 21.172 9.363 -8.721 1.00 0.00 O ATOM 192 CB PRO A 71 19.592 7.424 -10.769 1.00 0.00 C ATOM 193 CG PRO A 71 18.109 7.420 -10.911 1.00 0.00 C ATOM 194 CD PRO A 71 17.582 6.645 -9.735 1.00 0.00 C ATOM 0 HA PRO A 71 20.735 6.902 -8.952 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.034 8.296 -11.251 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.037 6.544 -11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 71 17.715 8.436 -10.917 1.00 0.00 H new ATOM 0 HG3 PRO A 71 17.808 6.956 -11.850 1.00 0.00 H new ATOM 0 HD2 PRO A 71 16.616 7.026 -9.403 1.00 0.00 H new ATOM 0 HD3 PRO A 71 17.443 5.592 -9.978 1.00 0.00 H new ATOM 202 N SER A 72 18.951 9.528 -8.401 1.00 0.00 N ATOM 203 CA SER A 72 19.012 10.902 -7.917 1.00 0.00 C ATOM 204 C SER A 72 19.575 10.954 -6.500 1.00 0.00 C ATOM 205 O SER A 72 20.237 11.919 -6.119 1.00 0.00 O ATOM 206 CB SER A 72 17.621 11.539 -7.949 1.00 0.00 C ATOM 207 OG SER A 72 16.857 11.040 -9.032 1.00 0.00 O ATOM 0 H SER A 72 18.011 9.132 -8.430 1.00 0.00 H new ATOM 0 HA SER A 72 19.676 11.463 -8.574 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.103 11.337 -7.011 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.715 12.622 -8.035 1.00 0.00 H new ATOM 0 HG SER A 72 15.972 11.461 -9.030 1.00 0.00 H new ATOM 213 N GLU A 73 19.306 9.908 -5.724 1.00 0.00 N ATOM 214 CA GLU A 73 19.785 9.835 -4.349 1.00 0.00 C ATOM 215 C GLU A 73 21.305 9.964 -4.294 1.00 0.00 C ATOM 216 O GLU A 73 21.846 10.720 -3.486 1.00 0.00 O ATOM 217 CB GLU A 73 19.352 8.517 -3.704 1.00 0.00 C ATOM 218 CG GLU A 73 17.846 8.312 -3.691 1.00 0.00 C ATOM 219 CD GLU A 73 17.171 9.023 -2.534 1.00 0.00 C ATOM 220 OE1 GLU A 73 17.885 9.667 -1.736 1.00 0.00 O ATOM 221 OE2 GLU A 73 15.930 8.935 -2.425 1.00 0.00 O ATOM 0 H GLU A 73 18.760 9.101 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 73 19.346 10.665 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 73 19.818 7.690 -4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.724 8.484 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.426 8.673 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.629 7.245 -3.634 1.00 0.00 H new ATOM 228 N LEU A 74 21.987 9.222 -5.159 1.00 0.00 N ATOM 229 CA LEU A 74 23.445 9.252 -5.210 1.00 0.00 C ATOM 230 C LEU A 74 23.951 10.669 -5.464 1.00 0.00 C ATOM 231 O LEU A 74 24.804 11.173 -4.734 1.00 0.00 O ATOM 232 CB LEU A 74 23.956 8.312 -6.302 1.00 0.00 C ATOM 233 CG LEU A 74 23.580 6.838 -6.150 1.00 0.00 C ATOM 234 CD1 LEU A 74 23.448 6.470 -4.680 1.00 0.00 C ATOM 235 CD2 LEU A 74 22.287 6.538 -6.894 1.00 0.00 C ATOM 0 H LEU A 74 21.554 8.592 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 74 23.825 8.917 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 74 23.580 8.665 -7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 74 25.043 8.387 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 74 24.375 6.233 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 74 23.180 5.417 -4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 74 24.397 6.647 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 74 22.672 7.082 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 74 22.035 5.484 -6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 74 21.483 7.152 -6.488 1.00 0.00 H new ATOM 0 HD23 LEU A 74 22.416 6.763 -7.953 1.00 0.00 H new ATOM 247 N GLU A 75 23.418 11.305 -6.502 1.00 0.00 N ATOM 248 CA GLU A 75 23.816 12.664 -6.851 1.00 0.00 C ATOM 249 C GLU A 75 23.559 13.620 -5.690 1.00 0.00 C ATOM 250 O GLU A 75 24.396 14.465 -5.373 1.00 0.00 O ATOM 251 CB GLU A 75 23.059 13.137 -8.094 1.00 0.00 C ATOM 252 CG GLU A 75 23.342 12.304 -9.333 1.00 0.00 C ATOM 253 CD GLU A 75 24.661 12.662 -9.989 1.00 0.00 C ATOM 254 OE1 GLU A 75 24.814 13.825 -10.418 1.00 0.00 O ATOM 255 OE2 GLU A 75 25.540 11.779 -10.073 1.00 0.00 O ATOM 0 H GLU A 75 22.710 10.902 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 75 24.885 12.660 -7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 75 21.989 13.114 -7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.323 14.175 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.350 11.248 -9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 75 22.534 12.442 -10.051 1.00 0.00 H new ATOM 262 N GLU A 76 22.396 13.481 -5.062 1.00 0.00 N ATOM 263 CA GLU A 76 22.029 14.333 -3.938 1.00 0.00 C ATOM 264 C GLU A 76 22.931 14.069 -2.736 1.00 0.00 C ATOM 265 O GLU A 76 23.236 14.977 -1.962 1.00 0.00 O ATOM 266 CB GLU A 76 20.566 14.103 -3.551 1.00 0.00 C ATOM 267 CG GLU A 76 19.909 15.313 -2.908 1.00 0.00 C ATOM 268 CD GLU A 76 19.391 16.307 -3.930 1.00 0.00 C ATOM 269 OE1 GLU A 76 19.117 15.893 -5.075 1.00 0.00 O ATOM 270 OE2 GLU A 76 19.260 17.500 -3.583 1.00 0.00 O ATOM 0 H GLU A 76 21.692 12.787 -5.313 1.00 0.00 H new ATOM 0 HA GLU A 76 22.158 15.371 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.003 13.825 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.509 13.260 -2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.084 14.982 -2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.628 15.809 -2.256 1.00 0.00 H new ATOM 277 N LEU A 77 23.356 12.819 -2.587 1.00 0.00 N ATOM 278 CA LEU A 77 24.224 12.433 -1.480 1.00 0.00 C ATOM 279 C LEU A 77 25.595 13.088 -1.609 1.00 0.00 C ATOM 280 O LEU A 77 26.073 13.737 -0.679 1.00 0.00 O ATOM 281 CB LEU A 77 24.376 10.912 -1.432 1.00 0.00 C ATOM 282 CG LEU A 77 24.364 10.280 -0.039 1.00 0.00 C ATOM 283 CD1 LEU A 77 25.371 10.970 0.868 1.00 0.00 C ATOM 284 CD2 LEU A 77 22.968 10.343 0.563 1.00 0.00 C ATOM 0 H LEU A 77 23.114 12.056 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 77 23.764 12.776 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 77 23.571 10.468 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 77 25.312 10.645 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 77 24.649 9.232 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 77 25.349 10.507 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 77 26.370 10.872 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 77 25.117 12.026 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 77 22.978 9.889 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 77 22.653 11.383 0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 77 22.271 9.802 -0.077 1.00 0.00 H new ATOM 296 N GLN A 78 26.222 12.915 -2.768 1.00 0.00 N ATOM 297 CA GLN A 78 27.537 13.492 -3.019 1.00 0.00 C ATOM 298 C GLN A 78 27.493 15.013 -2.923 1.00 0.00 C ATOM 299 O GLN A 78 28.362 15.631 -2.308 1.00 0.00 O ATOM 300 CB GLN A 78 28.048 13.071 -4.398 1.00 0.00 C ATOM 301 CG GLN A 78 27.089 13.405 -5.530 1.00 0.00 C ATOM 302 CD GLN A 78 27.571 12.893 -6.873 1.00 0.00 C ATOM 303 OE1 GLN A 78 26.972 11.988 -7.456 1.00 0.00 O ATOM 304 NE2 GLN A 78 28.658 13.470 -7.372 1.00 0.00 N ATOM 0 H GLN A 78 25.840 12.380 -3.548 1.00 0.00 H new ATOM 0 HA GLN A 78 28.220 13.118 -2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 78 29.004 13.559 -4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 78 28.234 11.997 -4.395 1.00 0.00 H new ATOM 0 HG2 GLN A 78 26.111 12.976 -5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.958 14.486 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 78 29.122 14.216 -6.855 1.00 0.00 H new ATOM 0 HE22 GLN A 78 29.029 13.167 -8.273 1.00 0.00 H new ATOM 313 N GLN A 79 26.475 15.610 -3.534 1.00 0.00 N ATOM 314 CA GLN A 79 26.318 17.060 -3.518 1.00 0.00 C ATOM 315 C GLN A 79 26.207 17.579 -2.088 1.00 0.00 C ATOM 316 O GLN A 79 26.841 18.570 -1.727 1.00 0.00 O ATOM 317 CB GLN A 79 25.082 17.469 -4.320 1.00 0.00 C ATOM 318 CG GLN A 79 25.337 17.587 -5.814 1.00 0.00 C ATOM 319 CD GLN A 79 26.290 18.714 -6.156 1.00 0.00 C ATOM 320 OE1 GLN A 79 27.563 18.380 -6.337 1.00 0.00 O flip ATOM 321 NE2 GLN A 79 25.889 19.874 -6.256 1.00 0.00 N flip ATOM 0 H GLN A 79 25.747 15.112 -4.046 1.00 0.00 H new ATOM 0 HA GLN A 79 27.202 17.502 -3.978 1.00 0.00 H new ATOM 0 HB2 GLN A 79 24.292 16.738 -4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.716 18.425 -3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.745 16.646 -6.184 1.00 0.00 H new ATOM 0 HG3 GLN A 79 24.390 17.748 -6.329 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.902 20.087 -6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.543 20.622 -6.486 1.00 0.00 H new ATOM 330 N ASN A 80 25.397 16.903 -1.280 1.00 0.00 N ATOM 331 CA ASN A 80 25.202 17.298 0.111 1.00 0.00 C ATOM 332 C ASN A 80 26.488 17.121 0.912 1.00 0.00 C ATOM 333 O ASN A 80 26.751 17.867 1.856 1.00 0.00 O ATOM 334 CB ASN A 80 24.077 16.475 0.743 1.00 0.00 C ATOM 335 CG ASN A 80 22.707 17.064 0.470 1.00 0.00 C ATOM 336 OD1 ASN A 80 22.481 18.257 0.668 1.00 0.00 O ATOM 337 ND2 ASN A 80 21.783 16.225 0.013 1.00 0.00 N ATOM 0 H ASN A 80 24.865 16.080 -1.564 1.00 0.00 H new ATOM 0 HA ASN A 80 24.926 18.352 0.128 1.00 0.00 H new ATOM 0 HB2 ASN A 80 24.115 15.456 0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 80 24.236 16.414 1.820 1.00 0.00 H new ATOM 0 HD21 ASN A 80 20.842 16.563 -0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 80 22.015 15.243 -0.137 1.00 0.00 H new ATOM 344 N ILE A 81 27.287 16.131 0.528 1.00 0.00 N ATOM 345 CA ILE A 81 28.546 15.858 1.209 1.00 0.00 C ATOM 346 C ILE A 81 29.525 17.015 1.038 1.00 0.00 C ATOM 347 O ILE A 81 30.017 17.577 2.017 1.00 0.00 O ATOM 348 CB ILE A 81 29.200 14.566 0.686 1.00 0.00 C ATOM 349 CG1 ILE A 81 28.402 13.343 1.144 1.00 0.00 C ATOM 350 CG2 ILE A 81 30.643 14.472 1.161 1.00 0.00 C ATOM 351 CD1 ILE A 81 28.552 12.146 0.231 1.00 0.00 C ATOM 0 H ILE A 81 27.084 15.505 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 81 28.313 15.735 2.267 1.00 0.00 H new ATOM 0 HB ILE A 81 29.198 14.591 -0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.722 13.066 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.347 13.611 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 81 31.091 13.553 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 81 31.205 15.329 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 81 30.668 14.466 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 81 27.959 11.317 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 81 28.205 12.405 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 81 29.601 11.852 0.186 1.00 0.00 H new ATOM 363 N LYS A 82 29.804 17.368 -0.213 1.00 0.00 N ATOM 364 CA LYS A 82 30.721 18.460 -0.514 1.00 0.00 C ATOM 365 C LYS A 82 30.116 19.803 -0.121 1.00 0.00 C ATOM 366 O LYS A 82 30.835 20.774 0.118 1.00 0.00 O ATOM 367 CB LYS A 82 31.072 18.462 -2.003 1.00 0.00 C ATOM 368 CG LYS A 82 29.860 18.382 -2.914 1.00 0.00 C ATOM 369 CD LYS A 82 30.023 17.299 -3.967 1.00 0.00 C ATOM 370 CE LYS A 82 30.551 17.867 -5.275 1.00 0.00 C ATOM 371 NZ LYS A 82 30.651 16.824 -6.333 1.00 0.00 N ATOM 0 H LYS A 82 29.407 16.913 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 82 31.631 18.308 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 82 31.631 19.369 -2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 82 31.730 17.619 -2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 82 28.969 18.181 -2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 82 29.706 19.345 -3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 82 30.706 16.533 -3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 82 29.063 16.813 -4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 82 29.894 18.667 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 82 31.533 18.310 -5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 31.015 17.251 -7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 31.298 16.073 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 29.710 16.418 -6.511 1.00 0.00 H new ATOM 385 N LEU A 83 28.790 19.853 -0.055 1.00 0.00 N ATOM 386 CA LEU A 83 28.087 21.078 0.310 1.00 0.00 C ATOM 387 C LEU A 83 28.044 21.249 1.825 1.00 0.00 C ATOM 388 O LEU A 83 27.980 22.369 2.331 1.00 0.00 O ATOM 389 CB LEU A 83 26.665 21.061 -0.254 1.00 0.00 C ATOM 390 CG LEU A 83 26.525 21.431 -1.731 1.00 0.00 C ATOM 391 CD1 LEU A 83 25.137 21.074 -2.241 1.00 0.00 C ATOM 392 CD2 LEU A 83 26.806 22.912 -1.939 1.00 0.00 C ATOM 0 H LEU A 83 28.180 19.059 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 83 28.630 21.921 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 83 26.250 20.064 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 83 26.055 21.749 0.332 1.00 0.00 H new ATOM 0 HG LEU A 83 27.258 20.859 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 83 25.056 21.344 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 83 24.972 20.002 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 83 24.387 21.619 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 83 26.702 23.157 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 83 26.097 23.502 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 83 27.821 23.139 -1.612 1.00 0.00 H new ATOM 404 N GLU A 84 28.081 20.131 2.544 1.00 0.00 N ATOM 405 CA GLU A 84 28.047 20.159 4.001 1.00 0.00 C ATOM 406 C GLU A 84 29.426 19.859 4.583 1.00 0.00 C ATOM 407 O GLU A 84 30.113 20.756 5.075 1.00 0.00 O ATOM 408 CB GLU A 84 27.028 19.147 4.529 1.00 0.00 C ATOM 409 CG GLU A 84 25.586 19.531 4.245 1.00 0.00 C ATOM 410 CD GLU A 84 24.686 19.355 5.453 1.00 0.00 C ATOM 411 OE1 GLU A 84 24.979 18.472 6.286 1.00 0.00 O ATOM 412 OE2 GLU A 84 23.691 20.100 5.566 1.00 0.00 O ATOM 0 H GLU A 84 28.134 19.196 2.141 1.00 0.00 H new ATOM 0 HA GLU A 84 27.749 21.160 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 84 27.231 18.173 4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 84 27.161 19.038 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 84 25.549 20.570 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 84 25.207 18.923 3.423 1.00 0.00 H new ATOM 419 N LEU A 85 29.824 18.593 4.524 1.00 0.00 N ATOM 420 CA LEU A 85 31.120 18.174 5.046 1.00 0.00 C ATOM 421 C LEU A 85 32.246 19.008 4.442 1.00 0.00 C ATOM 422 O LEU A 85 32.013 19.839 3.564 1.00 0.00 O ATOM 423 CB LEU A 85 31.354 16.691 4.752 1.00 0.00 C ATOM 424 CG LEU A 85 30.607 15.703 5.648 1.00 0.00 C ATOM 425 CD1 LEU A 85 30.890 15.993 7.114 1.00 0.00 C ATOM 426 CD2 LEU A 85 29.112 15.757 5.370 1.00 0.00 C ATOM 0 H LEU A 85 29.268 17.839 4.120 1.00 0.00 H new ATOM 0 HA LEU A 85 31.117 18.329 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.071 16.497 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.422 16.489 4.834 1.00 0.00 H new ATOM 0 HG LEU A 85 30.962 14.697 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 85 30.350 15.280 7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.960 15.903 7.303 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.563 17.005 7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.596 15.047 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 85 28.741 16.763 5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 85 28.926 15.499 4.327 1.00 0.00 H new ATOM 438 N GLU A 86 33.466 18.778 4.916 1.00 0.00 N ATOM 439 CA GLU A 86 34.627 19.508 4.422 1.00 0.00 C ATOM 440 C GLU A 86 35.911 18.986 5.062 1.00 0.00 C ATOM 441 O GLU A 86 35.882 18.060 5.871 1.00 0.00 O ATOM 442 CB GLU A 86 34.475 21.004 4.703 1.00 0.00 C ATOM 443 CG GLU A 86 34.240 21.327 6.169 1.00 0.00 C ATOM 444 CD GLU A 86 34.401 22.803 6.475 1.00 0.00 C ATOM 445 OE1 GLU A 86 33.424 23.557 6.286 1.00 0.00 O ATOM 446 OE2 GLU A 86 35.504 23.205 6.902 1.00 0.00 O ATOM 0 H GLU A 86 33.676 18.092 5.641 1.00 0.00 H new ATOM 0 HA GLU A 86 34.690 19.353 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 86 35.373 21.522 4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 86 33.643 21.393 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 86 33.236 21.009 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 86 34.939 20.755 6.780 1.00 0.00 H new ATOM 453 N GLY A 87 37.037 19.589 4.692 1.00 0.00 N ATOM 454 CA GLY A 87 38.315 19.173 5.239 1.00 0.00 C ATOM 455 C GLY A 87 38.575 17.692 5.043 1.00 0.00 C ATOM 456 O GLY A 87 38.711 17.222 3.913 1.00 0.00 O ATOM 0 H GLY A 87 37.087 20.358 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 87 39.113 19.745 4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 87 38.344 19.406 6.303 1.00 0.00 H new ATOM 460 N LYS A 88 38.644 16.954 6.145 1.00 0.00 N ATOM 461 CA LYS A 88 38.890 15.518 6.091 1.00 0.00 C ATOM 462 C LYS A 88 37.616 14.736 6.395 1.00 0.00 C ATOM 463 O LYS A 88 37.623 13.814 7.210 1.00 0.00 O ATOM 464 CB LYS A 88 39.988 15.130 7.083 1.00 0.00 C ATOM 465 CG LYS A 88 40.923 14.051 6.565 1.00 0.00 C ATOM 466 CD LYS A 88 40.406 12.660 6.892 1.00 0.00 C ATOM 467 CE LYS A 88 41.547 11.677 7.104 1.00 0.00 C ATOM 468 NZ LYS A 88 42.344 12.005 8.318 1.00 0.00 N ATOM 0 H LYS A 88 38.533 17.327 7.088 1.00 0.00 H new ATOM 0 HA LYS A 88 39.216 15.268 5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 88 40.572 16.016 7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 88 39.525 14.785 8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 88 41.036 14.154 5.486 1.00 0.00 H new ATOM 0 HG3 LYS A 88 41.912 14.185 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 88 39.789 12.702 7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 88 39.767 12.308 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 88 41.145 10.668 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 88 42.198 11.682 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 42.808 11.144 8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 43.066 12.714 8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 41.715 12.386 9.053 1.00 0.00 H new ATOM 482 N GLU A 89 36.525 15.111 5.733 1.00 0.00 N ATOM 483 CA GLU A 89 35.244 14.443 5.934 1.00 0.00 C ATOM 484 C GLU A 89 34.526 14.233 4.603 1.00 0.00 C ATOM 485 O GLU A 89 34.173 13.109 4.249 1.00 0.00 O ATOM 486 CB GLU A 89 34.361 15.260 6.879 1.00 0.00 C ATOM 487 CG GLU A 89 35.103 15.804 8.088 1.00 0.00 C ATOM 488 CD GLU A 89 34.168 16.343 9.153 1.00 0.00 C ATOM 489 OE1 GLU A 89 33.177 15.654 9.474 1.00 0.00 O ATOM 490 OE2 GLU A 89 34.427 17.451 9.665 1.00 0.00 O ATOM 0 H GLU A 89 36.503 15.872 5.054 1.00 0.00 H new ATOM 0 HA GLU A 89 35.437 13.468 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 89 33.925 16.092 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 89 33.535 14.636 7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 89 35.719 15.014 8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 89 35.779 16.597 7.768 1.00 0.00 H new ATOM 497 N GLN A 90 34.315 15.323 3.873 1.00 0.00 N ATOM 498 CA GLN A 90 33.638 15.258 2.583 1.00 0.00 C ATOM 499 C GLN A 90 34.446 14.437 1.585 1.00 0.00 C ATOM 500 O GLN A 90 33.885 13.794 0.698 1.00 0.00 O ATOM 501 CB GLN A 90 33.407 16.667 2.034 1.00 0.00 C ATOM 502 CG GLN A 90 34.687 17.378 1.624 1.00 0.00 C ATOM 503 CD GLN A 90 34.424 18.637 0.822 1.00 0.00 C ATOM 504 OE1 GLN A 90 35.088 18.898 -0.181 1.00 0.00 O ATOM 505 NE2 GLN A 90 33.450 19.426 1.261 1.00 0.00 N ATOM 0 H GLN A 90 34.603 16.261 4.152 1.00 0.00 H new ATOM 0 HA GLN A 90 32.674 14.770 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 90 32.742 16.608 1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 90 32.896 17.263 2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 90 35.258 17.633 2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 90 35.303 16.698 1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 90 32.925 19.171 2.097 1.00 0.00 H new ATOM 0 HE22 GLN A 90 33.227 20.287 0.762 1.00 0.00 H new ATOM 514 N GLU A 91 35.767 14.463 1.736 1.00 0.00 N ATOM 515 CA GLU A 91 36.652 13.720 0.846 1.00 0.00 C ATOM 516 C GLU A 91 36.392 12.220 0.948 1.00 0.00 C ATOM 517 O GLU A 91 36.310 11.523 -0.064 1.00 0.00 O ATOM 518 CB GLU A 91 38.115 14.019 1.180 1.00 0.00 C ATOM 519 CG GLU A 91 38.473 13.760 2.634 1.00 0.00 C ATOM 520 CD GLU A 91 39.890 14.182 2.969 1.00 0.00 C ATOM 521 OE1 GLU A 91 40.200 15.384 2.835 1.00 0.00 O ATOM 522 OE2 GLU A 91 40.690 13.309 3.367 1.00 0.00 O ATOM 0 H GLU A 91 36.247 14.990 2.465 1.00 0.00 H new ATOM 0 HA GLU A 91 36.448 14.038 -0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 91 38.756 13.410 0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 91 38.327 15.061 0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 91 37.776 14.297 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 91 38.353 12.698 2.850 1.00 0.00 H new ATOM 529 N LEU A 92 36.264 11.730 2.176 1.00 0.00 N ATOM 530 CA LEU A 92 36.014 10.312 2.412 1.00 0.00 C ATOM 531 C LEU A 92 34.645 9.905 1.878 1.00 0.00 C ATOM 532 O LEU A 92 34.529 8.968 1.088 1.00 0.00 O ATOM 533 CB LEU A 92 36.106 9.999 3.906 1.00 0.00 C ATOM 534 CG LEU A 92 37.373 10.478 4.616 1.00 0.00 C ATOM 535 CD1 LEU A 92 37.280 10.214 6.110 1.00 0.00 C ATOM 536 CD2 LEU A 92 38.602 9.801 4.028 1.00 0.00 C ATOM 0 H LEU A 92 36.329 12.293 3.024 1.00 0.00 H new ATOM 0 HA LEU A 92 36.775 9.741 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 92 35.244 10.444 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 92 36.027 8.920 4.036 1.00 0.00 H new ATOM 0 HG LEU A 92 37.467 11.553 4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 92 38.190 10.561 6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 92 36.422 10.746 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 92 37.161 9.145 6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 92 39.494 10.154 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 92 38.515 8.721 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 92 38.678 10.042 2.968 1.00 0.00 H new ATOM 548 N ALA A 93 33.610 10.616 2.314 1.00 0.00 N ATOM 549 CA ALA A 93 32.249 10.331 1.878 1.00 0.00 C ATOM 550 C ALA A 93 32.155 10.303 0.356 1.00 0.00 C ATOM 551 O ALA A 93 31.640 9.348 -0.227 1.00 0.00 O ATOM 552 CB ALA A 93 31.285 11.360 2.449 1.00 0.00 C ATOM 0 H ALA A 93 33.689 11.394 2.969 1.00 0.00 H new ATOM 0 HA ALA A 93 31.973 9.345 2.252 1.00 0.00 H new ATOM 0 HB1 ALA A 93 30.272 11.135 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 93 31.323 11.329 3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 93 31.568 12.354 2.104 1.00 0.00 H new ATOM 558 N LEU A 94 32.654 11.355 -0.282 1.00 0.00 N ATOM 559 CA LEU A 94 32.626 11.451 -1.738 1.00 0.00 C ATOM 560 C LEU A 94 33.483 10.361 -2.372 1.00 0.00 C ATOM 561 O LEU A 94 33.145 9.830 -3.429 1.00 0.00 O ATOM 562 CB LEU A 94 33.118 12.829 -2.187 1.00 0.00 C ATOM 563 CG LEU A 94 32.064 13.935 -2.236 1.00 0.00 C ATOM 564 CD1 LEU A 94 32.695 15.288 -1.947 1.00 0.00 C ATOM 565 CD2 LEU A 94 31.366 13.948 -3.588 1.00 0.00 C ATOM 0 H LEU A 94 33.083 12.154 0.185 1.00 0.00 H new ATOM 0 HA LEU A 94 31.596 11.314 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 94 33.916 13.145 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 94 33.558 12.730 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 94 31.319 13.733 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 94 31.929 16.063 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 94 33.147 15.274 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 94 33.462 15.498 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 94 30.619 14.742 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 94 32.100 14.124 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 94 30.878 12.988 -3.755 1.00 0.00 H new ATOM 577 N GLU A 95 34.593 10.031 -1.718 1.00 0.00 N ATOM 578 CA GLU A 95 35.497 9.003 -2.219 1.00 0.00 C ATOM 579 C GLU A 95 34.754 7.690 -2.450 1.00 0.00 C ATOM 580 O GLU A 95 34.720 7.171 -3.566 1.00 0.00 O ATOM 581 CB GLU A 95 36.649 8.783 -1.236 1.00 0.00 C ATOM 582 CG GLU A 95 37.993 9.263 -1.756 1.00 0.00 C ATOM 583 CD GLU A 95 37.979 10.729 -2.143 1.00 0.00 C ATOM 584 OE1 GLU A 95 37.411 11.057 -3.205 1.00 0.00 O ATOM 585 OE2 GLU A 95 38.537 11.549 -1.383 1.00 0.00 O ATOM 0 H GLU A 95 34.887 10.461 -0.841 1.00 0.00 H new ATOM 0 HA GLU A 95 35.901 9.344 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 95 36.424 9.301 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 95 36.718 7.721 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 95 38.753 9.100 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 95 38.278 8.665 -2.622 1.00 0.00 H new ATOM 592 N LEU A 96 34.159 7.160 -1.387 1.00 0.00 N ATOM 593 CA LEU A 96 33.416 5.907 -1.472 1.00 0.00 C ATOM 594 C LEU A 96 32.222 6.045 -2.412 1.00 0.00 C ATOM 595 O LEU A 96 31.958 5.164 -3.231 1.00 0.00 O ATOM 596 CB LEU A 96 32.939 5.478 -0.083 1.00 0.00 C ATOM 597 CG LEU A 96 32.098 4.202 -0.027 1.00 0.00 C ATOM 598 CD1 LEU A 96 32.858 3.094 0.687 1.00 0.00 C ATOM 599 CD2 LEU A 96 30.769 4.470 0.663 1.00 0.00 C ATOM 0 H LEU A 96 34.176 7.578 -0.457 1.00 0.00 H new ATOM 0 HA LEU A 96 34.084 5.144 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 96 33.813 5.341 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 96 32.356 6.293 0.347 1.00 0.00 H new ATOM 0 HG LEU A 96 31.896 3.877 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 96 32.245 2.193 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.784 2.884 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 96 33.091 3.409 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 96 30.183 3.551 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 96 30.951 4.819 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.219 5.232 0.111 1.00 0.00 H new ATOM 611 N LEU A 97 31.505 7.157 -2.289 1.00 0.00 N ATOM 612 CA LEU A 97 30.340 7.412 -3.129 1.00 0.00 C ATOM 613 C LEU A 97 30.702 7.314 -4.608 1.00 0.00 C ATOM 614 O LEU A 97 30.091 6.554 -5.358 1.00 0.00 O ATOM 615 CB LEU A 97 29.760 8.795 -2.825 1.00 0.00 C ATOM 616 CG LEU A 97 28.249 8.943 -3.003 1.00 0.00 C ATOM 617 CD1 LEU A 97 27.782 10.299 -2.498 1.00 0.00 C ATOM 618 CD2 LEU A 97 27.862 8.753 -4.462 1.00 0.00 C ATOM 0 H LEU A 97 31.710 7.896 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 97 29.590 6.653 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 97 30.012 9.054 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 97 30.254 9.524 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 97 27.756 8.170 -2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 97 26.704 10.386 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 97 28.024 10.396 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 97 28.283 11.088 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 97 26.783 8.862 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 97 28.365 9.503 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 97 28.161 7.758 -4.791 1.00 0.00 H new ATOM 630 N ASN A 98 31.702 8.087 -5.019 1.00 0.00 N ATOM 631 CA ASN A 98 32.148 8.086 -6.407 1.00 0.00 C ATOM 632 C ASN A 98 32.766 6.742 -6.779 1.00 0.00 C ATOM 633 O ASN A 98 32.696 6.312 -7.931 1.00 0.00 O ATOM 634 CB ASN A 98 33.161 9.209 -6.641 1.00 0.00 C ATOM 635 CG ASN A 98 32.633 10.279 -7.577 1.00 0.00 C ATOM 636 OD1 ASN A 98 31.423 10.439 -7.735 1.00 0.00 O ATOM 637 ND2 ASN A 98 33.542 11.017 -8.203 1.00 0.00 N ATOM 0 H ASN A 98 32.219 8.722 -4.410 1.00 0.00 H new ATOM 0 HA ASN A 98 31.278 8.254 -7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 98 33.423 9.663 -5.685 1.00 0.00 H new ATOM 0 HB3 ASN A 98 34.077 8.788 -7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 98 33.247 11.752 -8.846 1.00 0.00 H new ATOM 0 HD22 ASN A 98 34.535 10.849 -8.041 1.00 0.00 H new ATOM 644 N TYR A 99 33.371 6.084 -5.797 1.00 0.00 N ATOM 645 CA TYR A 99 34.004 4.789 -6.021 1.00 0.00 C ATOM 646 C TYR A 99 32.963 3.724 -6.353 1.00 0.00 C ATOM 647 O TYR A 99 33.225 2.803 -7.128 1.00 0.00 O ATOM 648 CB TYR A 99 34.804 4.369 -4.787 1.00 0.00 C ATOM 649 CG TYR A 99 36.292 4.603 -4.921 1.00 0.00 C ATOM 650 CD1 TYR A 99 36.999 4.097 -6.005 1.00 0.00 C ATOM 651 CD2 TYR A 99 36.989 5.331 -3.965 1.00 0.00 C ATOM 652 CE1 TYR A 99 38.359 4.308 -6.131 1.00 0.00 C ATOM 653 CE2 TYR A 99 38.348 5.548 -4.084 1.00 0.00 C ATOM 654 CZ TYR A 99 39.029 5.034 -5.168 1.00 0.00 C ATOM 655 OH TYR A 99 40.383 5.247 -5.291 1.00 0.00 O ATOM 0 H TYR A 99 33.437 6.425 -4.838 1.00 0.00 H new ATOM 0 HA TYR A 99 34.681 4.886 -6.869 1.00 0.00 H new ATOM 0 HB2 TYR A 99 34.435 4.918 -3.921 1.00 0.00 H new ATOM 0 HB3 TYR A 99 34.627 3.311 -4.593 1.00 0.00 H new ATOM 0 HD1 TYR A 99 36.477 3.530 -6.761 1.00 0.00 H new ATOM 0 HD2 TYR A 99 36.459 5.734 -3.114 1.00 0.00 H new ATOM 0 HE1 TYR A 99 38.894 3.907 -6.979 1.00 0.00 H new ATOM 0 HE2 TYR A 99 38.875 6.117 -3.332 1.00 0.00 H new ATOM 0 HH TYR A 99 40.701 5.777 -4.531 1.00 0.00 H new ATOM 665 N LEU A 100 31.781 3.857 -5.762 1.00 0.00 N ATOM 666 CA LEU A 100 30.698 2.908 -5.994 1.00 0.00 C ATOM 667 C LEU A 100 29.351 3.515 -5.616 1.00 0.00 C ATOM 668 O LEU A 100 28.992 3.570 -4.440 1.00 0.00 O ATOM 669 CB LEU A 100 30.936 1.627 -5.192 1.00 0.00 C ATOM 670 CG LEU A 100 29.918 0.505 -5.402 1.00 0.00 C ATOM 671 CD1 LEU A 100 29.710 0.243 -6.885 1.00 0.00 C ATOM 672 CD2 LEU A 100 30.369 -0.764 -4.692 1.00 0.00 C ATOM 0 H LEU A 100 31.548 4.613 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 100 30.681 2.667 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 100 31.925 1.244 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 100 30.951 1.883 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 100 28.966 0.819 -4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 100 28.983 -0.558 -7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 100 29.341 1.149 -7.366 1.00 0.00 H new ATOM 0 HD13 LEU A 100 30.657 -0.050 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 100 29.633 -1.552 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 100 31.333 -1.081 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 100 30.465 -0.569 -3.624 1.00 0.00 H new ATOM 684 N ASN A 101 28.608 3.968 -6.621 1.00 0.00 N ATOM 685 CA ASN A 101 27.300 4.569 -6.394 1.00 0.00 C ATOM 686 C ASN A 101 26.427 3.664 -5.530 1.00 0.00 C ATOM 687 O ASN A 101 25.815 4.116 -4.562 1.00 0.00 O ATOM 688 CB ASN A 101 26.603 4.845 -7.728 1.00 0.00 C ATOM 689 CG ASN A 101 26.822 3.732 -8.735 1.00 0.00 C ATOM 690 OD1 ASN A 101 27.899 3.609 -9.318 1.00 0.00 O ATOM 691 ND2 ASN A 101 25.797 2.913 -8.943 1.00 0.00 N ATOM 0 H ASN A 101 28.890 3.930 -7.600 1.00 0.00 H new ATOM 0 HA ASN A 101 27.449 5.512 -5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.534 4.972 -7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.973 5.783 -8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 101 25.885 2.145 -9.608 1.00 0.00 H new ATOM 0 HD22 ASN A 101 24.922 3.052 -8.437 1.00 0.00 H new ATOM 698 N GLU A 102 26.376 2.384 -5.886 1.00 0.00 N ATOM 699 CA GLU A 102 25.578 1.416 -5.143 1.00 0.00 C ATOM 700 C GLU A 102 25.924 1.452 -3.657 1.00 0.00 C ATOM 701 O GLU A 102 25.090 1.143 -2.806 1.00 0.00 O ATOM 702 CB GLU A 102 25.801 0.007 -5.696 1.00 0.00 C ATOM 703 CG GLU A 102 24.633 -0.934 -5.452 1.00 0.00 C ATOM 704 CD GLU A 102 23.336 -0.422 -6.047 1.00 0.00 C ATOM 705 OE1 GLU A 102 23.116 -0.634 -7.258 1.00 0.00 O ATOM 706 OE2 GLU A 102 22.542 0.191 -5.303 1.00 0.00 O ATOM 0 H GLU A 102 26.878 1.994 -6.684 1.00 0.00 H new ATOM 0 HA GLU A 102 24.528 1.683 -5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 102 25.987 0.072 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 102 26.698 -0.415 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 102 24.863 -1.910 -5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 102 24.505 -1.077 -4.379 1.00 0.00 H new ATOM 713 N LYS A 103 27.161 1.831 -3.353 1.00 0.00 N ATOM 714 CA LYS A 103 27.619 1.908 -1.971 1.00 0.00 C ATOM 715 C LYS A 103 27.613 3.351 -1.476 1.00 0.00 C ATOM 716 O LYS A 103 28.630 4.042 -1.533 1.00 0.00 O ATOM 717 CB LYS A 103 29.027 1.321 -1.845 1.00 0.00 C ATOM 718 CG LYS A 103 29.042 -0.136 -1.415 1.00 0.00 C ATOM 719 CD LYS A 103 28.196 -0.998 -2.337 1.00 0.00 C ATOM 720 CE LYS A 103 28.760 -2.406 -2.456 1.00 0.00 C ATOM 721 NZ LYS A 103 28.076 -3.189 -3.522 1.00 0.00 N ATOM 0 H LYS A 103 27.864 2.090 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 103 26.933 1.327 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 103 29.537 1.414 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 103 29.594 1.910 -1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 103 30.068 -0.504 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 103 28.669 -0.219 -0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 103 27.175 -1.045 -1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 103 28.149 -0.539 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 103 29.827 -2.353 -2.672 1.00 0.00 H new ATOM 0 HE3 LYS A 103 28.654 -2.922 -1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 28.730 -3.903 -3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 27.241 -3.663 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 27.779 -2.549 -4.286 1.00 0.00 H new ATOM 735 N GLY A 104 26.461 3.800 -0.989 1.00 0.00 N ATOM 736 CA GLY A 104 26.345 5.158 -0.489 1.00 0.00 C ATOM 737 C GLY A 104 24.986 5.438 0.120 1.00 0.00 C ATOM 738 O GLY A 104 24.788 5.262 1.322 1.00 0.00 O ATOM 0 H GLY A 104 25.605 3.248 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 104 27.118 5.334 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 104 26.526 5.859 -1.304 1.00 0.00 H new ATOM 742 N PHE A 105 24.046 5.877 -0.711 1.00 0.00 N ATOM 743 CA PHE A 105 22.698 6.185 -0.247 1.00 0.00 C ATOM 744 C PHE A 105 22.139 5.043 0.596 1.00 0.00 C ATOM 745 O PHE A 105 21.593 5.263 1.678 1.00 0.00 O ATOM 746 CB PHE A 105 21.775 6.455 -1.437 1.00 0.00 C ATOM 747 CG PHE A 105 20.327 6.577 -1.057 1.00 0.00 C ATOM 748 CD1 PHE A 105 19.931 7.455 -0.061 1.00 0.00 C ATOM 749 CD2 PHE A 105 19.363 5.815 -1.697 1.00 0.00 C ATOM 750 CE1 PHE A 105 18.599 7.568 0.291 1.00 0.00 C ATOM 751 CE2 PHE A 105 18.030 5.925 -1.349 1.00 0.00 C ATOM 752 CZ PHE A 105 17.647 6.803 -0.355 1.00 0.00 C ATOM 0 H PHE A 105 24.193 6.027 -1.709 1.00 0.00 H new ATOM 0 HA PHE A 105 22.750 7.080 0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 105 22.091 7.374 -1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 105 21.885 5.649 -2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 105 20.671 8.057 0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 105 19.656 5.127 -2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 105 18.303 8.254 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 105 17.288 5.324 -1.854 1.00 0.00 H new ATOM 0 HZ PHE A 105 16.606 6.892 -0.083 1.00 0.00 H new ATOM 762 N LEU A 106 22.278 3.821 0.092 1.00 0.00 N ATOM 763 CA LEU A 106 21.787 2.642 0.798 1.00 0.00 C ATOM 764 C LEU A 106 22.928 1.678 1.107 1.00 0.00 C ATOM 765 O LEU A 106 22.714 0.475 1.257 1.00 0.00 O ATOM 766 CB LEU A 106 20.718 1.934 -0.036 1.00 0.00 C ATOM 767 CG LEU A 106 19.393 1.650 0.673 1.00 0.00 C ATOM 768 CD1 LEU A 106 19.625 0.812 1.921 1.00 0.00 C ATOM 769 CD2 LEU A 106 18.687 2.951 1.026 1.00 0.00 C ATOM 0 H LEU A 106 22.726 3.621 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 106 21.347 2.969 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 106 20.513 2.541 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 106 21.128 0.988 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 106 18.753 1.086 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 106 18.671 0.620 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 106 20.087 -0.135 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 106 20.283 1.350 2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 106 17.746 2.729 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 106 19.322 3.542 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 106 18.487 3.515 0.115 1.00 0.00 H new ATOM 781 N SER A 107 24.140 2.215 1.204 1.00 0.00 N ATOM 782 CA SER A 107 25.315 1.402 1.495 1.00 0.00 C ATOM 783 C SER A 107 25.089 0.546 2.737 1.00 0.00 C ATOM 784 O SER A 107 24.093 0.704 3.443 1.00 0.00 O ATOM 785 CB SER A 107 26.542 2.294 1.692 1.00 0.00 C ATOM 786 OG SER A 107 27.635 1.837 0.916 1.00 0.00 O ATOM 0 H SER A 107 24.334 3.209 1.085 1.00 0.00 H new ATOM 0 HA SER A 107 25.488 0.741 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 107 26.298 3.319 1.414 1.00 0.00 H new ATOM 0 HB3 SER A 107 26.820 2.307 2.746 1.00 0.00 H new ATOM 0 HG SER A 107 28.446 2.322 1.176 1.00 0.00 H new ATOM 792 N LYS A 108 26.022 -0.363 2.999 1.00 0.00 N ATOM 793 CA LYS A 108 25.929 -1.246 4.156 1.00 0.00 C ATOM 794 C LYS A 108 26.150 -0.470 5.450 1.00 0.00 C ATOM 795 O LYS A 108 26.066 0.758 5.472 1.00 0.00 O ATOM 796 CB LYS A 108 26.953 -2.377 4.044 1.00 0.00 C ATOM 797 CG LYS A 108 26.967 -3.053 2.684 1.00 0.00 C ATOM 798 CD LYS A 108 25.662 -3.780 2.409 1.00 0.00 C ATOM 799 CE LYS A 108 24.667 -2.884 1.686 1.00 0.00 C ATOM 800 NZ LYS A 108 23.692 -3.673 0.883 1.00 0.00 N ATOM 0 H LYS A 108 26.853 -0.508 2.425 1.00 0.00 H new ATOM 0 HA LYS A 108 24.927 -1.674 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 108 27.946 -1.979 4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 108 26.742 -3.124 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 108 27.140 -2.307 1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 108 27.795 -3.760 2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 108 25.858 -4.667 1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 108 25.229 -4.122 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 108 24.130 -2.276 2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 108 25.205 -2.198 1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 23.032 -3.027 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 24.202 -4.234 0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 23.161 -4.310 1.510 1.00 0.00 H new ATOM 814 N SER A 109 26.436 -1.195 6.528 1.00 0.00 N ATOM 815 CA SER A 109 26.667 -0.575 7.827 1.00 0.00 C ATOM 816 C SER A 109 27.917 0.299 7.796 1.00 0.00 C ATOM 817 O SER A 109 28.794 0.120 6.951 1.00 0.00 O ATOM 818 CB SER A 109 26.807 -1.647 8.909 1.00 0.00 C ATOM 819 OG SER A 109 25.542 -2.005 9.439 1.00 0.00 O ATOM 0 H SER A 109 26.513 -2.212 6.527 1.00 0.00 H new ATOM 0 HA SER A 109 25.809 0.056 8.060 1.00 0.00 H new ATOM 0 HB2 SER A 109 27.292 -2.529 8.491 1.00 0.00 H new ATOM 0 HB3 SER A 109 27.449 -1.279 9.709 1.00 0.00 H new ATOM 0 HG SER A 109 25.658 -2.693 10.127 1.00 0.00 H new ATOM 825 N VAL A 110 27.992 1.246 8.726 1.00 0.00 N ATOM 826 CA VAL A 110 29.134 2.149 8.807 1.00 0.00 C ATOM 827 C VAL A 110 30.447 1.374 8.822 1.00 0.00 C ATOM 828 O VAL A 110 31.445 1.813 8.252 1.00 0.00 O ATOM 829 CB VAL A 110 29.060 3.036 10.064 1.00 0.00 C ATOM 830 CG1 VAL A 110 27.969 4.085 9.914 1.00 0.00 C ATOM 831 CG2 VAL A 110 28.826 2.185 11.303 1.00 0.00 C ATOM 0 H VAL A 110 27.275 1.408 9.434 1.00 0.00 H new ATOM 0 HA VAL A 110 29.100 2.783 7.921 1.00 0.00 H new ATOM 0 HB VAL A 110 30.013 3.552 10.180 1.00 0.00 H new ATOM 0 HG11 VAL A 110 27.932 4.702 10.812 1.00 0.00 H new ATOM 0 HG12 VAL A 110 28.185 4.714 9.050 1.00 0.00 H new ATOM 0 HG13 VAL A 110 27.007 3.592 9.772 1.00 0.00 H new ATOM 0 HG21 VAL A 110 28.776 2.828 12.182 1.00 0.00 H new ATOM 0 HG22 VAL A 110 27.888 1.640 11.198 1.00 0.00 H new ATOM 0 HG23 VAL A 110 29.646 1.476 11.418 1.00 0.00 H new ATOM 841 N GLU A 111 30.438 0.218 9.479 1.00 0.00 N ATOM 842 CA GLU A 111 31.630 -0.618 9.568 1.00 0.00 C ATOM 843 C GLU A 111 32.136 -0.993 8.179 1.00 0.00 C ATOM 844 O GLU A 111 33.337 -0.952 7.913 1.00 0.00 O ATOM 845 CB GLU A 111 31.332 -1.884 10.374 1.00 0.00 C ATOM 846 CG GLU A 111 30.982 -1.613 11.827 1.00 0.00 C ATOM 847 CD GLU A 111 31.219 -2.817 12.719 1.00 0.00 C ATOM 848 OE1 GLU A 111 32.357 -3.331 12.733 1.00 0.00 O ATOM 849 OE2 GLU A 111 30.265 -3.245 13.402 1.00 0.00 O ATOM 0 H GLU A 111 29.620 -0.160 9.957 1.00 0.00 H new ATOM 0 HA GLU A 111 32.407 -0.047 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 111 30.506 -2.418 9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 111 32.200 -2.542 10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 111 31.576 -0.774 12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 111 29.936 -1.315 11.895 1.00 0.00 H new ATOM 856 N GLU A 112 31.211 -1.360 7.297 1.00 0.00 N ATOM 857 CA GLU A 112 31.565 -1.744 5.935 1.00 0.00 C ATOM 858 C GLU A 112 32.283 -0.604 5.218 1.00 0.00 C ATOM 859 O GLU A 112 33.430 -0.749 4.795 1.00 0.00 O ATOM 860 CB GLU A 112 30.312 -2.144 5.154 1.00 0.00 C ATOM 861 CG GLU A 112 29.987 -3.626 5.242 1.00 0.00 C ATOM 862 CD GLU A 112 31.130 -4.503 4.767 1.00 0.00 C ATOM 863 OE1 GLU A 112 31.218 -4.752 3.546 1.00 0.00 O ATOM 864 OE2 GLU A 112 31.935 -4.940 5.615 1.00 0.00 O ATOM 0 H GLU A 112 30.212 -1.399 7.501 1.00 0.00 H new ATOM 0 HA GLU A 112 32.240 -2.598 5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 112 29.463 -1.572 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 112 30.444 -1.871 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 112 29.743 -3.880 6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 112 29.100 -3.836 4.644 1.00 0.00 H new ATOM 871 N ILE A 113 31.599 0.527 5.084 1.00 0.00 N ATOM 872 CA ILE A 113 32.171 1.691 4.418 1.00 0.00 C ATOM 873 C ILE A 113 33.511 2.074 5.036 1.00 0.00 C ATOM 874 O ILE A 113 34.485 2.326 4.326 1.00 0.00 O ATOM 875 CB ILE A 113 31.222 2.902 4.487 1.00 0.00 C ATOM 876 CG1 ILE A 113 29.953 2.629 3.676 1.00 0.00 C ATOM 877 CG2 ILE A 113 31.922 4.153 3.980 1.00 0.00 C ATOM 878 CD1 ILE A 113 28.677 2.902 4.441 1.00 0.00 C ATOM 0 H ILE A 113 30.648 0.662 5.428 1.00 0.00 H new ATOM 0 HA ILE A 113 32.320 1.416 3.374 1.00 0.00 H new ATOM 0 HB ILE A 113 30.939 3.065 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 113 29.967 3.245 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 113 29.956 1.589 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 113 31.238 5.000 4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 113 32.799 4.354 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 113 32.231 4.003 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 113 27.818 2.687 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 113 28.641 2.267 5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 113 28.651 3.949 4.744 1.00 0.00 H new ATOM 890 N SER A 114 33.554 2.114 6.364 1.00 0.00 N ATOM 891 CA SER A 114 34.775 2.469 7.079 1.00 0.00 C ATOM 892 C SER A 114 35.925 1.550 6.678 1.00 0.00 C ATOM 893 O SER A 114 37.045 2.006 6.445 1.00 0.00 O ATOM 894 CB SER A 114 34.548 2.390 8.590 1.00 0.00 C ATOM 895 OG SER A 114 35.667 1.818 9.245 1.00 0.00 O ATOM 0 H SER A 114 32.758 1.905 6.967 1.00 0.00 H new ATOM 0 HA SER A 114 35.039 3.492 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 114 34.362 3.389 8.986 1.00 0.00 H new ATOM 0 HB3 SER A 114 33.658 1.795 8.797 1.00 0.00 H new ATOM 0 HG SER A 114 36.398 2.471 9.275 1.00 0.00 H new ATOM 901 N ASP A 115 35.640 0.255 6.600 1.00 0.00 N ATOM 902 CA ASP A 115 36.650 -0.729 6.226 1.00 0.00 C ATOM 903 C ASP A 115 37.130 -0.498 4.796 1.00 0.00 C ATOM 904 O ASP A 115 38.321 -0.610 4.505 1.00 0.00 O ATOM 905 CB ASP A 115 36.089 -2.145 6.366 1.00 0.00 C ATOM 906 CG ASP A 115 36.994 -3.047 7.182 1.00 0.00 C ATOM 907 OD1 ASP A 115 36.939 -2.974 8.427 1.00 0.00 O ATOM 908 OD2 ASP A 115 37.759 -3.826 6.575 1.00 0.00 O ATOM 0 H ASP A 115 34.718 -0.138 6.791 1.00 0.00 H new ATOM 0 HA ASP A 115 37.500 -0.615 6.899 1.00 0.00 H new ATOM 0 HB2 ASP A 115 35.107 -2.099 6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 115 35.948 -2.577 5.375 1.00 0.00 H new ATOM 913 N VAL A 116 36.195 -0.176 3.908 1.00 0.00 N ATOM 914 CA VAL A 116 36.523 0.070 2.509 1.00 0.00 C ATOM 915 C VAL A 116 37.294 1.375 2.346 1.00 0.00 C ATOM 916 O VAL A 116 38.152 1.497 1.471 1.00 0.00 O ATOM 917 CB VAL A 116 35.254 0.124 1.636 1.00 0.00 C ATOM 918 CG1 VAL A 116 35.613 0.431 0.190 1.00 0.00 C ATOM 919 CG2 VAL A 116 34.483 -1.183 1.737 1.00 0.00 C ATOM 0 H VAL A 116 35.205 -0.079 4.133 1.00 0.00 H new ATOM 0 HA VAL A 116 37.147 -0.761 2.180 1.00 0.00 H new ATOM 0 HB VAL A 116 34.614 0.926 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 116 34.704 0.465 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 116 36.119 1.395 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 116 36.273 -0.347 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 116 33.590 -1.128 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 116 35.113 -2.004 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 116 34.193 -1.355 2.773 1.00 0.00 H new ATOM 929 N LEU A 117 36.984 2.348 3.195 1.00 0.00 N ATOM 930 CA LEU A 117 37.648 3.646 3.147 1.00 0.00 C ATOM 931 C LEU A 117 38.911 3.644 4.002 1.00 0.00 C ATOM 932 O LEU A 117 39.677 4.608 3.999 1.00 0.00 O ATOM 933 CB LEU A 117 36.697 4.746 3.624 1.00 0.00 C ATOM 934 CG LEU A 117 36.640 6.005 2.759 1.00 0.00 C ATOM 935 CD1 LEU A 117 37.978 6.728 2.779 1.00 0.00 C ATOM 936 CD2 LEU A 117 36.243 5.655 1.332 1.00 0.00 C ATOM 0 H LEU A 117 36.277 2.263 3.925 1.00 0.00 H new ATOM 0 HA LEU A 117 37.932 3.843 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 117 35.693 4.328 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 117 36.986 5.036 4.634 1.00 0.00 H new ATOM 0 HG LEU A 117 35.883 6.672 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 117 37.918 7.622 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 117 38.222 7.013 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 117 38.754 6.068 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 117 36.208 6.564 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 117 36.976 4.968 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 117 35.261 5.182 1.333 1.00 0.00 H new ATOM 948 N ARG A 118 39.122 2.554 4.733 1.00 0.00 N ATOM 949 CA ARG A 118 40.293 2.425 5.592 1.00 0.00 C ATOM 950 C ARG A 118 40.321 3.533 6.641 1.00 0.00 C ATOM 951 O ARG A 118 41.365 3.819 7.229 1.00 0.00 O ATOM 952 CB ARG A 118 41.573 2.467 4.756 1.00 0.00 C ATOM 953 CG ARG A 118 41.746 1.262 3.846 1.00 0.00 C ATOM 954 CD ARG A 118 41.186 1.527 2.458 1.00 0.00 C ATOM 955 NE ARG A 118 42.184 2.111 1.567 1.00 0.00 N ATOM 956 CZ ARG A 118 43.242 1.447 1.113 1.00 0.00 C ATOM 957 NH1 ARG A 118 43.436 0.184 1.464 1.00 0.00 N ATOM 958 NH2 ARG A 118 44.107 2.048 0.305 1.00 0.00 N ATOM 0 H ARG A 118 38.497 1.748 4.747 1.00 0.00 H new ATOM 0 HA ARG A 118 40.234 1.464 6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 118 41.571 3.373 4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 118 42.431 2.533 5.424 1.00 0.00 H new ATOM 0 HG2 ARG A 118 42.804 1.011 3.771 1.00 0.00 H new ATOM 0 HG3 ARG A 118 41.244 0.399 4.284 1.00 0.00 H new ATOM 0 HD2 ARG A 118 40.821 0.593 2.030 1.00 0.00 H new ATOM 0 HD3 ARG A 118 40.331 2.199 2.534 1.00 0.00 H new ATOM 0 HE ARG A 118 42.063 3.081 1.277 1.00 0.00 H new ATOM 0 HH11 ARG A 118 42.773 -0.281 2.084 1.00 0.00 H new ATOM 0 HH12 ARG A 118 44.249 -0.323 1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 118 43.960 3.020 0.032 1.00 0.00 H new ATOM 0 HH22 ARG A 118 44.919 1.538 -0.043 1.00 0.00 H new ATOM 972 N CYS A 119 39.169 4.154 6.870 1.00 0.00 N ATOM 973 CA CYS A 119 39.062 5.232 7.847 1.00 0.00 C ATOM 974 C CYS A 119 38.227 4.797 9.047 1.00 0.00 C ATOM 975 O CYS A 119 37.527 3.786 8.995 1.00 0.00 O ATOM 976 CB CYS A 119 38.444 6.473 7.202 1.00 0.00 C ATOM 977 SG CYS A 119 36.647 6.391 7.017 1.00 0.00 S ATOM 0 H CYS A 119 38.296 3.930 6.393 1.00 0.00 H new ATOM 0 HA CYS A 119 40.066 5.475 8.195 1.00 0.00 H new ATOM 0 HB2 CYS A 119 38.697 7.346 7.803 1.00 0.00 H new ATOM 0 HB3 CYS A 119 38.893 6.621 6.220 1.00 0.00 H new ATOM 0 HG CYS A 119 36.093 6.321 8.191 1.00 0.00 H new ATOM 983 N SER A 120 38.307 5.567 10.127 1.00 0.00 N ATOM 984 CA SER A 120 37.562 5.259 11.342 1.00 0.00 C ATOM 985 C SER A 120 36.059 5.364 11.100 1.00 0.00 C ATOM 986 O SER A 120 35.598 6.225 10.351 1.00 0.00 O ATOM 987 CB SER A 120 37.975 6.203 12.473 1.00 0.00 C ATOM 988 OG SER A 120 39.363 6.104 12.739 1.00 0.00 O ATOM 0 H SER A 120 38.880 6.409 10.186 1.00 0.00 H new ATOM 0 HA SER A 120 37.795 4.234 11.631 1.00 0.00 H new ATOM 0 HB2 SER A 120 37.726 7.229 12.204 1.00 0.00 H new ATOM 0 HB3 SER A 120 37.411 5.964 13.375 1.00 0.00 H new ATOM 0 HG SER A 120 39.602 6.718 13.464 1.00 0.00 H new ATOM 994 N VAL A 121 35.300 4.480 11.740 1.00 0.00 N ATOM 995 CA VAL A 121 33.849 4.473 11.597 1.00 0.00 C ATOM 996 C VAL A 121 33.242 5.783 12.085 1.00 0.00 C ATOM 997 O VAL A 121 32.259 6.269 11.527 1.00 0.00 O ATOM 998 CB VAL A 121 33.214 3.304 12.374 1.00 0.00 C ATOM 999 CG1 VAL A 121 31.696 3.384 12.312 1.00 0.00 C ATOM 1000 CG2 VAL A 121 33.708 1.972 11.830 1.00 0.00 C ATOM 0 H VAL A 121 35.666 3.760 12.362 1.00 0.00 H new ATOM 0 HA VAL A 121 33.636 4.351 10.535 1.00 0.00 H new ATOM 0 HB VAL A 121 33.516 3.378 13.419 1.00 0.00 H new ATOM 0 HG11 VAL A 121 31.265 2.550 12.866 1.00 0.00 H new ATOM 0 HG12 VAL A 121 31.363 4.324 12.753 1.00 0.00 H new ATOM 0 HG13 VAL A 121 31.371 3.335 11.273 1.00 0.00 H new ATOM 0 HG21 VAL A 121 33.249 1.157 12.391 1.00 0.00 H new ATOM 0 HG22 VAL A 121 33.437 1.886 10.778 1.00 0.00 H new ATOM 0 HG23 VAL A 121 34.792 1.917 11.932 1.00 0.00 H new ATOM 1010 N GLU A 122 33.835 6.350 13.131 1.00 0.00 N ATOM 1011 CA GLU A 122 33.351 7.605 13.695 1.00 0.00 C ATOM 1012 C GLU A 122 33.173 8.658 12.605 1.00 0.00 C ATOM 1013 O GLU A 122 32.138 9.320 12.531 1.00 0.00 O ATOM 1014 CB GLU A 122 34.321 8.118 14.762 1.00 0.00 C ATOM 1015 CG GLU A 122 35.764 8.183 14.292 1.00 0.00 C ATOM 1016 CD GLU A 122 36.741 8.382 15.434 1.00 0.00 C ATOM 1017 OE1 GLU A 122 36.300 8.373 16.602 1.00 0.00 O ATOM 1018 OE2 GLU A 122 37.948 8.546 15.159 1.00 0.00 O ATOM 0 H GLU A 122 34.650 5.961 13.605 1.00 0.00 H new ATOM 0 HA GLU A 122 32.381 7.417 14.156 1.00 0.00 H new ATOM 0 HB2 GLU A 122 34.006 9.112 15.079 1.00 0.00 H new ATOM 0 HB3 GLU A 122 34.261 7.470 15.637 1.00 0.00 H new ATOM 0 HG2 GLU A 122 36.012 7.263 13.763 1.00 0.00 H new ATOM 0 HG3 GLU A 122 35.873 9.000 13.579 1.00 0.00 H new ATOM 1025 N GLU A 123 34.191 8.808 11.763 1.00 0.00 N ATOM 1026 CA GLU A 123 34.147 9.781 10.679 1.00 0.00 C ATOM 1027 C GLU A 123 33.040 9.440 9.686 1.00 0.00 C ATOM 1028 O GLU A 123 32.228 10.294 9.326 1.00 0.00 O ATOM 1029 CB GLU A 123 35.495 9.835 9.957 1.00 0.00 C ATOM 1030 CG GLU A 123 35.923 11.241 9.571 1.00 0.00 C ATOM 1031 CD GLU A 123 34.933 11.918 8.642 1.00 0.00 C ATOM 1032 OE1 GLU A 123 34.810 11.475 7.481 1.00 0.00 O ATOM 1033 OE2 GLU A 123 34.281 12.890 9.078 1.00 0.00 O ATOM 0 H GLU A 123 35.055 8.268 11.811 1.00 0.00 H new ATOM 0 HA GLU A 123 33.935 10.759 11.112 1.00 0.00 H new ATOM 0 HB2 GLU A 123 36.259 9.395 10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 123 35.441 9.221 9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 123 36.039 11.842 10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 123 36.899 11.200 9.088 1.00 0.00 H new ATOM 1040 N LEU A 124 33.014 8.187 9.245 1.00 0.00 N ATOM 1041 CA LEU A 124 32.007 7.732 8.293 1.00 0.00 C ATOM 1042 C LEU A 124 30.600 7.972 8.831 1.00 0.00 C ATOM 1043 O LEU A 124 29.697 8.349 8.086 1.00 0.00 O ATOM 1044 CB LEU A 124 32.202 6.246 7.986 1.00 0.00 C ATOM 1045 CG LEU A 124 31.254 5.645 6.947 1.00 0.00 C ATOM 1046 CD1 LEU A 124 29.926 5.274 7.588 1.00 0.00 C ATOM 1047 CD2 LEU A 124 31.040 6.617 5.796 1.00 0.00 C ATOM 0 H LEU A 124 33.679 7.468 9.531 1.00 0.00 H new ATOM 0 HA LEU A 124 32.126 8.305 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 124 33.226 6.098 7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 124 32.093 5.686 8.915 1.00 0.00 H new ATOM 0 HG LEU A 124 31.708 4.737 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 124 29.264 4.848 6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 124 30.095 4.542 8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 124 29.465 6.166 8.013 1.00 0.00 H new ATOM 0 HD21 LEU A 124 30.363 6.173 5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 124 30.607 7.542 6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 124 31.996 6.833 5.320 1.00 0.00 H new ATOM 1059 N GLU A 125 30.424 7.752 10.130 1.00 0.00 N ATOM 1060 CA GLU A 125 29.127 7.946 10.768 1.00 0.00 C ATOM 1061 C GLU A 125 28.742 9.423 10.781 1.00 0.00 C ATOM 1062 O GLU A 125 27.606 9.783 10.472 1.00 0.00 O ATOM 1063 CB GLU A 125 29.150 7.402 12.198 1.00 0.00 C ATOM 1064 CG GLU A 125 28.613 8.379 13.230 1.00 0.00 C ATOM 1065 CD GLU A 125 28.458 7.752 14.602 1.00 0.00 C ATOM 1066 OE1 GLU A 125 27.554 6.906 14.768 1.00 0.00 O ATOM 1067 OE2 GLU A 125 29.240 8.106 15.509 1.00 0.00 O ATOM 0 H GLU A 125 31.162 7.440 10.761 1.00 0.00 H new ATOM 0 HA GLU A 125 28.382 7.399 10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 125 28.562 6.485 12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 125 30.174 7.136 12.460 1.00 0.00 H new ATOM 0 HG2 GLU A 125 29.285 9.234 13.299 1.00 0.00 H new ATOM 0 HG3 GLU A 125 27.647 8.759 12.897 1.00 0.00 H new ATOM 1074 N LYS A 126 29.697 10.274 11.141 1.00 0.00 N ATOM 1075 CA LYS A 126 29.461 11.712 11.194 1.00 0.00 C ATOM 1076 C LYS A 126 29.011 12.240 9.835 1.00 0.00 C ATOM 1077 O LYS A 126 27.974 12.894 9.724 1.00 0.00 O ATOM 1078 CB LYS A 126 30.729 12.441 11.642 1.00 0.00 C ATOM 1079 CG LYS A 126 30.630 13.031 13.038 1.00 0.00 C ATOM 1080 CD LYS A 126 31.994 13.127 13.701 1.00 0.00 C ATOM 1081 CE LYS A 126 32.703 14.421 13.331 1.00 0.00 C ATOM 1082 NZ LYS A 126 32.231 15.568 14.156 1.00 0.00 N ATOM 0 H LYS A 126 30.642 9.992 11.401 1.00 0.00 H new ATOM 0 HA LYS A 126 28.667 11.899 11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 126 31.568 11.746 11.609 1.00 0.00 H new ATOM 0 HB3 LYS A 126 30.948 13.240 10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 126 30.180 14.022 12.984 1.00 0.00 H new ATOM 0 HG3 LYS A 126 29.970 12.415 13.649 1.00 0.00 H new ATOM 0 HD2 LYS A 126 31.879 13.071 14.783 1.00 0.00 H new ATOM 0 HD3 LYS A 126 32.606 12.277 13.401 1.00 0.00 H new ATOM 0 HE2 LYS A 126 33.778 14.297 13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 126 32.534 14.639 12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 32.738 16.431 13.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 31.210 15.703 14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 32.415 15.372 15.161 1.00 0.00 H new ATOM 1096 N VAL A 127 29.798 11.950 8.803 1.00 0.00 N ATOM 1097 CA VAL A 127 29.479 12.394 7.451 1.00 0.00 C ATOM 1098 C VAL A 127 28.148 11.817 6.983 1.00 0.00 C ATOM 1099 O VAL A 127 27.351 12.505 6.345 1.00 0.00 O ATOM 1100 CB VAL A 127 30.581 11.990 6.454 1.00 0.00 C ATOM 1101 CG1 VAL A 127 31.882 12.707 6.776 1.00 0.00 C ATOM 1102 CG2 VAL A 127 30.778 10.481 6.460 1.00 0.00 C ATOM 0 H VAL A 127 30.660 11.410 8.878 1.00 0.00 H new ATOM 0 HA VAL A 127 29.409 13.481 7.482 1.00 0.00 H new ATOM 0 HB VAL A 127 30.268 12.289 5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 127 32.649 12.409 6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 127 31.728 13.784 6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 127 32.203 12.443 7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 127 31.560 10.213 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 127 31.068 10.156 7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 127 29.847 9.991 6.175 1.00 0.00 H new ATOM 1112 N ARG A 128 27.913 10.549 7.305 1.00 0.00 N ATOM 1113 CA ARG A 128 26.678 9.878 6.916 1.00 0.00 C ATOM 1114 C ARG A 128 25.469 10.545 7.566 1.00 0.00 C ATOM 1115 O ARG A 128 24.454 10.781 6.913 1.00 0.00 O ATOM 1116 CB ARG A 128 26.730 8.400 7.308 1.00 0.00 C ATOM 1117 CG ARG A 128 27.166 7.485 6.176 1.00 0.00 C ATOM 1118 CD ARG A 128 25.970 6.935 5.413 1.00 0.00 C ATOM 1119 NE ARG A 128 25.396 7.926 4.507 1.00 0.00 N ATOM 1120 CZ ARG A 128 24.155 7.861 4.037 1.00 0.00 C ATOM 1121 NH1 ARG A 128 23.363 6.856 4.386 1.00 0.00 N ATOM 1122 NH2 ARG A 128 23.705 8.801 3.216 1.00 0.00 N ATOM 0 H ARG A 128 28.561 9.966 7.834 1.00 0.00 H new ATOM 0 HA ARG A 128 26.577 9.957 5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 128 27.416 8.279 8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 128 25.744 8.090 7.655 1.00 0.00 H new ATOM 0 HG2 ARG A 128 27.814 8.033 5.493 1.00 0.00 H new ATOM 0 HG3 ARG A 128 27.753 6.660 6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 128 26.276 6.057 4.844 1.00 0.00 H new ATOM 0 HD3 ARG A 128 25.209 6.607 6.120 1.00 0.00 H new ATOM 0 HE ARG A 128 25.980 8.711 4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 128 23.706 6.131 5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 128 22.411 6.808 4.024 1.00 0.00 H new ATOM 0 HH21 ARG A 128 24.312 9.575 2.945 1.00 0.00 H new ATOM 0 HH22 ARG A 128 22.752 8.750 2.856 1.00 0.00 H new ATOM 1136 N GLN A 129 25.588 10.846 8.855 1.00 0.00 N ATOM 1137 CA GLN A 129 24.504 11.484 9.593 1.00 0.00 C ATOM 1138 C GLN A 129 24.285 12.914 9.109 1.00 0.00 C ATOM 1139 O GLN A 129 23.161 13.416 9.112 1.00 0.00 O ATOM 1140 CB GLN A 129 24.809 11.482 11.092 1.00 0.00 C ATOM 1141 CG GLN A 129 24.909 10.088 11.690 1.00 0.00 C ATOM 1142 CD GLN A 129 23.576 9.574 12.198 1.00 0.00 C ATOM 1143 OE1 GLN A 129 22.913 10.226 13.005 1.00 0.00 O ATOM 1144 NE2 GLN A 129 23.177 8.399 11.727 1.00 0.00 N ATOM 0 H GLN A 129 26.423 10.659 9.410 1.00 0.00 H new ATOM 0 HA GLN A 129 23.592 10.915 9.414 1.00 0.00 H new ATOM 0 HB2 GLN A 129 25.747 12.010 11.264 1.00 0.00 H new ATOM 0 HB3 GLN A 129 24.030 12.037 11.614 1.00 0.00 H new ATOM 0 HG2 GLN A 129 25.296 9.401 10.938 1.00 0.00 H new ATOM 0 HG3 GLN A 129 25.626 10.099 12.511 1.00 0.00 H new ATOM 0 HE21 GLN A 129 23.759 7.893 11.059 1.00 0.00 H new ATOM 0 HE22 GLN A 129 22.289 8.002 12.033 1.00 0.00 H new ATOM 1153 N LYS A 130 25.366 13.565 8.693 1.00 0.00 N ATOM 1154 CA LYS A 130 25.292 14.937 8.205 1.00 0.00 C ATOM 1155 C LYS A 130 24.585 14.997 6.855 1.00 0.00 C ATOM 1156 O LYS A 130 23.853 15.944 6.568 1.00 0.00 O ATOM 1157 CB LYS A 130 26.697 15.533 8.083 1.00 0.00 C ATOM 1158 CG LYS A 130 27.032 16.529 9.179 1.00 0.00 C ATOM 1159 CD LYS A 130 27.763 17.741 8.626 1.00 0.00 C ATOM 1160 CE LYS A 130 28.881 18.190 9.556 1.00 0.00 C ATOM 1161 NZ LYS A 130 29.184 19.639 9.399 1.00 0.00 N ATOM 0 H LYS A 130 26.304 13.164 8.684 1.00 0.00 H new ATOM 0 HA LYS A 130 24.717 15.521 8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 130 27.428 14.725 8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 130 26.791 16.025 7.115 1.00 0.00 H new ATOM 0 HG2 LYS A 130 26.115 16.850 9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 130 27.649 16.045 9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 130 28.177 17.502 7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 130 27.057 18.559 8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 130 28.597 17.988 10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 130 29.779 17.607 9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 29.951 19.906 10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 29.479 19.828 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 28.334 20.197 9.618 1.00 0.00 H new ATOM 1175 N VAL A 131 24.807 13.979 6.029 1.00 0.00 N ATOM 1176 CA VAL A 131 24.189 13.915 4.711 1.00 0.00 C ATOM 1177 C VAL A 131 22.835 13.218 4.772 1.00 0.00 C ATOM 1178 O VAL A 131 22.012 13.355 3.866 1.00 0.00 O ATOM 1179 CB VAL A 131 25.090 13.175 3.704 1.00 0.00 C ATOM 1180 CG1 VAL A 131 26.443 13.862 3.592 1.00 0.00 C ATOM 1181 CG2 VAL A 131 25.254 11.717 4.107 1.00 0.00 C ATOM 0 H VAL A 131 25.411 13.187 6.250 1.00 0.00 H new ATOM 0 HA VAL A 131 24.050 14.943 4.376 1.00 0.00 H new ATOM 0 HB VAL A 131 24.612 13.206 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 131 27.066 13.325 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 131 26.303 14.888 3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 131 26.931 13.865 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 131 25.893 11.210 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 131 25.709 11.662 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 131 24.277 11.234 4.130 1.00 0.00 H new ATOM 1191 N LEU A 132 22.609 12.470 5.846 1.00 0.00 N ATOM 1192 CA LEU A 132 21.353 11.750 6.027 1.00 0.00 C ATOM 1193 C LEU A 132 20.323 12.623 6.737 1.00 0.00 C ATOM 1194 O LEU A 132 19.118 12.455 6.549 1.00 0.00 O ATOM 1195 CB LEU A 132 21.588 10.467 6.826 1.00 0.00 C ATOM 1196 CG LEU A 132 20.356 9.597 7.077 1.00 0.00 C ATOM 1197 CD1 LEU A 132 20.523 8.234 6.424 1.00 0.00 C ATOM 1198 CD2 LEU A 132 20.103 9.448 8.570 1.00 0.00 C ATOM 0 H LEU A 132 23.279 12.346 6.605 1.00 0.00 H new ATOM 0 HA LEU A 132 20.966 11.491 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 132 22.331 9.867 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 132 22.020 10.737 7.790 1.00 0.00 H new ATOM 0 HG LEU A 132 19.491 10.088 6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 132 19.636 7.629 6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 132 20.654 8.359 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 132 21.398 7.736 6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 132 19.222 8.826 8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 132 20.968 8.980 9.041 1.00 0.00 H new ATOM 0 HD23 LEU A 132 19.937 10.431 9.011 1.00 0.00 H new ATOM 1210 N ARG A 133 20.805 13.556 7.551 1.00 0.00 N ATOM 1211 CA ARG A 133 19.926 14.456 8.288 1.00 0.00 C ATOM 1212 C ARG A 133 18.919 15.118 7.353 1.00 0.00 C ATOM 1213 O ARG A 133 17.799 15.436 7.754 1.00 0.00 O ATOM 1214 CB ARG A 133 20.747 15.525 9.011 1.00 0.00 C ATOM 1215 CG ARG A 133 21.259 16.623 8.094 1.00 0.00 C ATOM 1216 CD ARG A 133 22.353 17.442 8.763 1.00 0.00 C ATOM 1217 NE ARG A 133 22.362 18.826 8.297 1.00 0.00 N ATOM 1218 CZ ARG A 133 23.118 19.777 8.835 1.00 0.00 C ATOM 1219 NH1 ARG A 133 23.922 19.495 9.850 1.00 0.00 N ATOM 1220 NH2 ARG A 133 23.071 21.014 8.356 1.00 0.00 N ATOM 0 H ARG A 133 21.800 13.709 7.717 1.00 0.00 H new ATOM 0 HA ARG A 133 19.379 13.868 9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 133 20.135 15.973 9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.595 15.049 9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 133 21.644 16.181 7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.434 17.277 7.812 1.00 0.00 H new ATOM 0 HD2 ARG A 133 22.210 17.424 9.843 1.00 0.00 H new ATOM 0 HD3 ARG A 133 23.322 16.985 8.562 1.00 0.00 H new ATOM 0 HE ARG A 133 21.755 19.076 7.516 1.00 0.00 H new ATOM 0 HH11 ARG A 133 23.962 18.546 10.221 1.00 0.00 H new ATOM 0 HH12 ARG A 133 24.501 20.227 10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 133 22.454 21.235 7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 133 23.652 21.743 8.770 1.00 0.00 H new ATOM 1234 N LEU A 134 19.325 15.324 6.105 1.00 0.00 N ATOM 1235 CA LEU A 134 18.459 15.950 5.112 1.00 0.00 C ATOM 1236 C LEU A 134 17.213 15.104 4.866 1.00 0.00 C ATOM 1237 O LEU A 134 16.100 15.624 4.807 1.00 0.00 O ATOM 1238 CB LEU A 134 19.218 16.153 3.799 1.00 0.00 C ATOM 1239 CG LEU A 134 20.019 17.450 3.682 1.00 0.00 C ATOM 1240 CD1 LEU A 134 21.473 17.215 4.062 1.00 0.00 C ATOM 1241 CD2 LEU A 134 19.919 18.014 2.272 1.00 0.00 C ATOM 0 H LEU A 134 20.248 15.067 5.757 1.00 0.00 H new ATOM 0 HA LEU A 134 18.147 16.920 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 134 19.901 15.314 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 134 18.501 16.117 2.979 1.00 0.00 H new ATOM 0 HG LEU A 134 19.597 18.179 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 134 22.028 18.149 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 134 21.527 16.858 5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 134 21.907 16.470 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 134 20.495 18.937 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 134 20.315 17.289 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 134 18.875 18.221 2.036 1.00 0.00 H new ATOM 1253 N GLU A 135 17.410 13.797 4.725 1.00 0.00 N ATOM 1254 CA GLU A 135 16.302 12.879 4.487 1.00 0.00 C ATOM 1255 C GLU A 135 16.003 12.052 5.734 1.00 0.00 C ATOM 1256 O GLU A 135 15.120 11.195 5.725 1.00 0.00 O ATOM 1257 CB GLU A 135 16.621 11.953 3.311 1.00 0.00 C ATOM 1258 CG GLU A 135 17.657 10.890 3.638 1.00 0.00 C ATOM 1259 CD GLU A 135 17.034 9.607 4.153 1.00 0.00 C ATOM 1260 OE1 GLU A 135 16.511 8.829 3.328 1.00 0.00 O ATOM 1261 OE2 GLU A 135 17.069 9.381 5.381 1.00 0.00 O ATOM 0 H GLU A 135 18.326 13.350 4.771 1.00 0.00 H new ATOM 0 HA GLU A 135 15.419 13.471 4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 135 15.703 11.465 2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 135 16.979 12.552 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 135 18.243 10.672 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 135 18.348 11.279 4.385 1.00 0.00 H new TER 1268 GLU A 135