USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 859 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 26 GLN : amide:sc= -0.387 K(o=-0.39,f=-1.1) USER MOD Set 1.2: A 96 SER OG : rot -120:sc= 0 USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 18 LYS NZ :NH3+ 134:sc= 0 (180deg=-1.08) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0701 X(o=-0.07,f=-0.13) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -4.49! C(o=-4.5!,f=-2.1!) USER MOD Single : A 22 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.31) USER MOD Single : A 23 SER OG : rot -130:sc= -0.965 USER MOD Single : A 24 MET CE :methyl 177:sc= -0.434 (180deg=-0.479) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 136:sc= -0.913 (180deg=-2.79!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= -0.21 (180deg=-0.393) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.04 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -7.87! C(o=-7.9!,f=-14!) USER MOD Single : A 50 THR OG1 : rot -98:sc= 0.904 USER MOD Single : A 54 CYS SG : rot 150:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 56 MET CE :methyl -157:sc= -0.59 (180deg=-2.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.0317 X(o=0.032,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -113:sc= -2.94! (180deg=-4.15!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.64) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -2.59 X(o=-2.6,f=-2.6) USER MOD Single : A 87 ASN : amide:sc= 0.522 K(o=0.52,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -1.39 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 68:sc= 0.782 USER MOD Single : A 98 SER OG : rot 26:sc= 0.858 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -1.04 K(o=-1,f=-1.7) USER MOD Single : A 109 THR OG1 : rot -13:sc= 0.768 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.115 -12.848 -16.344 1.00 0.00 N ATOM 2 CA GLY A 1 -33.800 -13.623 -15.326 1.00 0.00 C ATOM 3 C GLY A 1 -35.115 -12.997 -14.908 1.00 0.00 C ATOM 4 O GLY A 1 -36.096 -13.041 -15.651 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.222 -13.318 -16.596 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.717 -12.775 -17.189 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.914 -11.895 -15.978 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.984 -14.629 -15.702 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.154 -13.722 -14.453 1.00 0.00 H new ATOM 8 N SER A 2 -35.137 -12.412 -13.714 1.00 0.00 N ATOM 9 CA SER A 2 -36.344 -11.779 -13.196 1.00 0.00 C ATOM 10 C SER A 2 -36.176 -10.264 -13.126 1.00 0.00 C ATOM 11 O SER A 2 -35.056 -9.753 -13.103 1.00 0.00 O ATOM 12 CB SER A 2 -36.679 -12.330 -11.809 1.00 0.00 C ATOM 13 OG SER A 2 -36.866 -13.734 -11.849 1.00 0.00 O ATOM 0 H SER A 2 -34.333 -12.364 -13.088 1.00 0.00 H new ATOM 0 HA SER A 2 -37.164 -12.005 -13.877 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.875 -12.087 -11.114 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.582 -11.850 -11.432 1.00 0.00 H new ATOM 0 HG SER A 2 -37.077 -14.062 -10.950 1.00 0.00 H new ATOM 19 N SER A 3 -37.297 -9.551 -13.093 1.00 0.00 N ATOM 20 CA SER A 3 -37.276 -8.095 -13.030 1.00 0.00 C ATOM 21 C SER A 3 -37.072 -7.616 -11.596 1.00 0.00 C ATOM 22 O SER A 3 -38.034 -7.387 -10.864 1.00 0.00 O ATOM 23 CB SER A 3 -38.577 -7.519 -13.593 1.00 0.00 C ATOM 24 OG SER A 3 -38.470 -6.121 -13.796 1.00 0.00 O ATOM 0 H SER A 3 -38.232 -9.959 -13.109 1.00 0.00 H new ATOM 0 HA SER A 3 -36.440 -7.742 -13.635 1.00 0.00 H new ATOM 0 HB2 SER A 3 -38.817 -8.009 -14.536 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.398 -7.728 -12.907 1.00 0.00 H new ATOM 0 HG SER A 3 -39.314 -5.777 -14.158 1.00 0.00 H new ATOM 30 N GLY A 4 -35.811 -7.466 -11.202 1.00 0.00 N ATOM 31 CA GLY A 4 -35.503 -7.016 -9.857 1.00 0.00 C ATOM 32 C GLY A 4 -34.125 -6.394 -9.756 1.00 0.00 C ATOM 33 O GLY A 4 -33.543 -5.990 -10.762 1.00 0.00 O ATOM 0 H GLY A 4 -34.998 -7.648 -11.790 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -36.251 -6.289 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.569 -7.860 -9.171 1.00 0.00 H new ATOM 37 N SER A 5 -33.601 -6.315 -8.536 1.00 0.00 N ATOM 38 CA SER A 5 -32.284 -5.733 -8.306 1.00 0.00 C ATOM 39 C SER A 5 -31.265 -6.814 -7.960 1.00 0.00 C ATOM 40 O SER A 5 -31.624 -7.893 -7.489 1.00 0.00 O ATOM 41 CB SER A 5 -32.350 -4.699 -7.180 1.00 0.00 C ATOM 42 OG SER A 5 -32.932 -5.252 -6.013 1.00 0.00 O ATOM 0 H SER A 5 -34.069 -6.647 -7.692 1.00 0.00 H new ATOM 0 HA SER A 5 -31.966 -5.240 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.346 -4.339 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.932 -3.837 -7.507 1.00 0.00 H new ATOM 0 HG SER A 5 -32.961 -4.572 -5.308 1.00 0.00 H new ATOM 48 N SER A 6 -29.992 -6.515 -8.197 1.00 0.00 N ATOM 49 CA SER A 6 -28.919 -7.462 -7.915 1.00 0.00 C ATOM 50 C SER A 6 -27.851 -6.826 -7.031 1.00 0.00 C ATOM 51 O SER A 6 -27.525 -5.649 -7.182 1.00 0.00 O ATOM 52 CB SER A 6 -28.290 -7.957 -9.219 1.00 0.00 C ATOM 53 OG SER A 6 -27.346 -8.985 -8.972 1.00 0.00 O ATOM 0 H SER A 6 -29.678 -5.625 -8.584 1.00 0.00 H new ATOM 0 HA SER A 6 -29.348 -8.311 -7.382 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.070 -8.327 -9.885 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.803 -7.126 -9.730 1.00 0.00 H new ATOM 0 HG SER A 6 -26.960 -9.285 -9.821 1.00 0.00 H new ATOM 59 N GLY A 7 -27.308 -7.614 -6.108 1.00 0.00 N ATOM 60 CA GLY A 7 -26.282 -7.111 -5.213 1.00 0.00 C ATOM 61 C GLY A 7 -24.899 -7.157 -5.832 1.00 0.00 C ATOM 62 O GLY A 7 -24.466 -8.200 -6.321 1.00 0.00 O ATOM 0 H GLY A 7 -27.560 -8.592 -5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.518 -6.084 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -26.285 -7.698 -4.295 1.00 0.00 H new ATOM 66 N MET A 8 -24.205 -6.024 -5.812 1.00 0.00 N ATOM 67 CA MET A 8 -22.863 -5.941 -6.376 1.00 0.00 C ATOM 68 C MET A 8 -21.862 -6.702 -5.513 1.00 0.00 C ATOM 69 O MET A 8 -22.167 -7.086 -4.385 1.00 0.00 O ATOM 70 CB MET A 8 -22.432 -4.479 -6.507 1.00 0.00 C ATOM 71 CG MET A 8 -23.436 -3.614 -7.251 1.00 0.00 C ATOM 72 SD MET A 8 -23.314 -1.870 -6.808 1.00 0.00 S ATOM 73 CE MET A 8 -24.442 -1.794 -5.419 1.00 0.00 C ATOM 0 H MET A 8 -24.549 -5.151 -5.412 1.00 0.00 H new ATOM 0 HA MET A 8 -22.883 -6.397 -7.366 1.00 0.00 H new ATOM 0 HB2 MET A 8 -22.275 -4.064 -5.511 1.00 0.00 H new ATOM 0 HB3 MET A 8 -21.474 -4.436 -7.025 1.00 0.00 H new ATOM 0 HG2 MET A 8 -23.280 -3.724 -8.324 1.00 0.00 H new ATOM 0 HG3 MET A 8 -24.444 -3.969 -7.038 1.00 0.00 H new ATOM 0 HE1 MET A 8 -24.476 -0.775 -5.033 1.00 0.00 H new ATOM 0 HE2 MET A 8 -25.439 -2.093 -5.743 1.00 0.00 H new ATOM 0 HE3 MET A 8 -24.099 -2.468 -4.634 1.00 0.00 H new ATOM 83 N ASN A 9 -20.666 -6.918 -6.051 1.00 0.00 N ATOM 84 CA ASN A 9 -19.621 -7.635 -5.330 1.00 0.00 C ATOM 85 C ASN A 9 -18.295 -6.884 -5.406 1.00 0.00 C ATOM 86 O ASN A 9 -18.211 -5.811 -6.003 1.00 0.00 O ATOM 87 CB ASN A 9 -19.455 -9.045 -5.899 1.00 0.00 C ATOM 88 CG ASN A 9 -20.777 -9.659 -6.318 1.00 0.00 C ATOM 89 OD1 ASN A 9 -21.670 -9.860 -5.494 1.00 0.00 O ATOM 90 ND2 ASN A 9 -20.908 -9.960 -7.605 1.00 0.00 N ATOM 0 H ASN A 9 -20.397 -6.607 -6.984 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.919 -7.706 -4.284 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.785 -9.011 -6.758 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.982 -9.682 -5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.775 -10.375 -7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -20.142 -9.776 -8.252 1.00 0.00 H new ATOM 97 N ARG A 10 -17.261 -7.457 -4.798 1.00 0.00 N ATOM 98 CA ARG A 10 -15.939 -6.843 -4.797 1.00 0.00 C ATOM 99 C ARG A 10 -14.871 -7.850 -5.211 1.00 0.00 C ATOM 100 O ARG A 10 -14.883 -9.001 -4.773 1.00 0.00 O ATOM 101 CB ARG A 10 -15.616 -6.282 -3.411 1.00 0.00 C ATOM 102 CG ARG A 10 -15.819 -7.283 -2.286 1.00 0.00 C ATOM 103 CD ARG A 10 -17.245 -7.246 -1.758 1.00 0.00 C ATOM 104 NE ARG A 10 -17.485 -6.081 -0.910 1.00 0.00 N ATOM 105 CZ ARG A 10 -18.681 -5.750 -0.438 1.00 0.00 C ATOM 106 NH1 ARG A 10 -19.741 -6.491 -0.729 1.00 0.00 N ATOM 107 NH2 ARG A 10 -18.819 -4.675 0.328 1.00 0.00 N ATOM 0 H ARG A 10 -17.314 -8.346 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.944 -6.028 -5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -14.581 -5.940 -3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.242 -5.409 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.588 -8.286 -2.644 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -15.124 -7.066 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.942 -7.234 -2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.445 -8.155 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.690 -5.489 -0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.639 -7.318 -1.317 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -20.658 -6.234 -0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.006 -4.102 0.554 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.738 -4.421 0.690 1.00 0.00 H new ATOM 121 N THR A 11 -13.947 -7.410 -6.060 1.00 0.00 N ATOM 122 CA THR A 11 -12.873 -8.273 -6.535 1.00 0.00 C ATOM 123 C THR A 11 -11.546 -7.523 -6.583 1.00 0.00 C ATOM 124 O THR A 11 -11.508 -6.327 -6.870 1.00 0.00 O ATOM 125 CB THR A 11 -13.182 -8.836 -7.935 1.00 0.00 C ATOM 126 OG1 THR A 11 -13.313 -7.764 -8.876 1.00 0.00 O ATOM 127 CG2 THR A 11 -14.460 -9.660 -7.917 1.00 0.00 C ATOM 0 H THR A 11 -13.921 -6.461 -6.433 1.00 0.00 H new ATOM 0 HA THR A 11 -12.795 -9.099 -5.828 1.00 0.00 H new ATOM 0 HB THR A 11 -12.356 -9.482 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.508 -8.130 -9.764 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.658 -10.047 -8.917 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.347 -10.492 -7.222 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.293 -9.033 -7.600 1.00 0.00 H new ATOM 135 N ALA A 12 -10.459 -8.234 -6.302 1.00 0.00 N ATOM 136 CA ALA A 12 -9.130 -7.636 -6.316 1.00 0.00 C ATOM 137 C ALA A 12 -8.481 -7.774 -7.688 1.00 0.00 C ATOM 138 O ALA A 12 -8.332 -8.880 -8.207 1.00 0.00 O ATOM 139 CB ALA A 12 -8.253 -8.274 -5.248 1.00 0.00 C ATOM 0 H ALA A 12 -10.473 -9.225 -6.062 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.234 -6.573 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.263 -7.818 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.703 -8.119 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.164 -9.343 -5.441 1.00 0.00 H new ATOM 145 N MET A 13 -8.096 -6.643 -8.272 1.00 0.00 N ATOM 146 CA MET A 13 -7.462 -6.639 -9.585 1.00 0.00 C ATOM 147 C MET A 13 -5.950 -6.483 -9.458 1.00 0.00 C ATOM 148 O MET A 13 -5.457 -5.425 -9.065 1.00 0.00 O ATOM 149 CB MET A 13 -8.032 -5.511 -10.447 1.00 0.00 C ATOM 150 CG MET A 13 -7.269 -5.291 -11.743 1.00 0.00 C ATOM 151 SD MET A 13 -7.525 -3.643 -12.429 1.00 0.00 S ATOM 152 CE MET A 13 -8.482 -4.030 -13.893 1.00 0.00 C ATOM 0 H MET A 13 -8.212 -5.719 -7.857 1.00 0.00 H new ATOM 0 HA MET A 13 -7.672 -7.595 -10.065 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.073 -5.734 -10.681 1.00 0.00 H new ATOM 0 HB3 MET A 13 -8.027 -4.586 -9.870 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.205 -5.444 -11.564 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.580 -6.037 -12.474 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.719 -3.110 -14.427 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.904 -4.687 -14.542 1.00 0.00 H new ATOM 0 HE3 MET A 13 -9.406 -4.529 -13.602 1.00 0.00 H new ATOM 162 N ARG A 14 -5.220 -7.542 -9.793 1.00 0.00 N ATOM 163 CA ARG A 14 -3.764 -7.522 -9.714 1.00 0.00 C ATOM 164 C ARG A 14 -3.220 -6.137 -10.055 1.00 0.00 C ATOM 165 O ARG A 14 -3.602 -5.540 -11.061 1.00 0.00 O ATOM 166 CB ARG A 14 -3.167 -8.564 -10.662 1.00 0.00 C ATOM 167 CG ARG A 14 -1.853 -9.150 -10.171 1.00 0.00 C ATOM 168 CD ARG A 14 -0.956 -9.555 -11.331 1.00 0.00 C ATOM 169 NE ARG A 14 -0.226 -8.416 -11.881 1.00 0.00 N ATOM 170 CZ ARG A 14 0.592 -8.502 -12.924 1.00 0.00 C ATOM 171 NH1 ARG A 14 0.783 -9.667 -13.527 1.00 0.00 N ATOM 172 NH2 ARG A 14 1.221 -7.420 -13.366 1.00 0.00 N ATOM 0 H ARG A 14 -5.613 -8.424 -10.122 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.477 -7.764 -8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.886 -9.371 -10.801 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.009 -8.107 -11.639 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.337 -8.419 -9.549 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.053 -10.019 -9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.247 -10.312 -10.994 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.561 -10.011 -12.115 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.351 -7.505 -11.440 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.301 -10.501 -13.190 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.412 -9.730 -14.328 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.076 -6.522 -12.905 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.849 -7.487 -14.167 1.00 0.00 H new ATOM 186 N ALA A 15 -2.327 -5.633 -9.210 1.00 0.00 N ATOM 187 CA ALA A 15 -1.730 -4.321 -9.423 1.00 0.00 C ATOM 188 C ALA A 15 -0.219 -4.428 -9.602 1.00 0.00 C ATOM 189 O ALA A 15 0.415 -5.341 -9.073 1.00 0.00 O ATOM 190 CB ALA A 15 -2.062 -3.396 -8.262 1.00 0.00 C ATOM 0 H ALA A 15 -2.001 -6.114 -8.371 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.149 -3.902 -10.338 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.610 -2.419 -8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.144 -3.286 -8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.671 -3.819 -7.337 1.00 0.00 H new ATOM 196 N SER A 16 0.351 -3.490 -10.350 1.00 0.00 N ATOM 197 CA SER A 16 1.788 -3.481 -10.603 1.00 0.00 C ATOM 198 C SER A 16 2.443 -2.256 -9.973 1.00 0.00 C ATOM 199 O SER A 16 1.759 -1.339 -9.518 1.00 0.00 O ATOM 200 CB SER A 16 2.063 -3.504 -12.107 1.00 0.00 C ATOM 201 OG SER A 16 3.301 -4.132 -12.390 1.00 0.00 O ATOM 0 H SER A 16 -0.160 -2.726 -10.792 1.00 0.00 H new ATOM 0 HA SER A 16 2.217 -4.374 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.259 -4.032 -12.619 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.072 -2.485 -12.494 1.00 0.00 H new ATOM 0 HG SER A 16 3.452 -4.135 -13.358 1.00 0.00 H new ATOM 207 N GLN A 17 3.772 -2.248 -9.950 1.00 0.00 N ATOM 208 CA GLN A 17 4.519 -1.136 -9.376 1.00 0.00 C ATOM 209 C GLN A 17 3.976 0.199 -9.872 1.00 0.00 C ATOM 210 O GLN A 17 3.501 1.019 -9.085 1.00 0.00 O ATOM 211 CB GLN A 17 6.004 -1.258 -9.725 1.00 0.00 C ATOM 212 CG GLN A 17 6.899 -0.344 -8.904 1.00 0.00 C ATOM 213 CD GLN A 17 6.650 1.125 -9.187 1.00 0.00 C ATOM 214 OE1 GLN A 17 6.955 1.621 -10.272 1.00 0.00 O ATOM 215 NE2 GLN A 17 6.092 1.830 -8.210 1.00 0.00 N ATOM 0 H GLN A 17 4.353 -2.999 -10.322 1.00 0.00 H new ATOM 0 HA GLN A 17 4.403 -1.174 -8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.320 -2.291 -9.577 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.140 -1.032 -10.783 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.736 -0.539 -7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.942 -0.579 -9.114 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.855 1.379 -7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.900 2.823 -8.343 1.00 0.00 H new ATOM 224 N LYS A 18 4.048 0.413 -11.181 1.00 0.00 N ATOM 225 CA LYS A 18 3.563 1.649 -11.784 1.00 0.00 C ATOM 226 C LYS A 18 2.207 2.040 -11.204 1.00 0.00 C ATOM 227 O LYS A 18 1.995 3.190 -10.820 1.00 0.00 O ATOM 228 CB LYS A 18 3.454 1.492 -13.302 1.00 0.00 C ATOM 229 CG LYS A 18 2.502 0.389 -13.733 1.00 0.00 C ATOM 230 CD LYS A 18 2.563 0.155 -15.233 1.00 0.00 C ATOM 231 CE LYS A 18 1.801 -1.099 -15.632 1.00 0.00 C ATOM 232 NZ LYS A 18 2.534 -2.339 -15.252 1.00 0.00 N ATOM 0 H LYS A 18 4.438 -0.255 -11.846 1.00 0.00 H new ATOM 0 HA LYS A 18 4.278 2.440 -11.558 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.122 2.436 -13.734 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.444 1.286 -13.710 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.752 -0.534 -13.209 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.484 0.653 -13.446 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.146 1.017 -15.754 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.603 0.065 -15.546 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.821 -1.096 -15.154 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.631 -1.093 -16.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.876 -3.006 -14.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.941 -2.776 -16.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.297 -2.101 -14.587 1.00 0.00 H new ATOM 246 N ASP A 19 1.294 1.077 -11.144 1.00 0.00 N ATOM 247 CA ASP A 19 -0.040 1.321 -10.609 1.00 0.00 C ATOM 248 C ASP A 19 0.036 1.854 -9.181 1.00 0.00 C ATOM 249 O ASP A 19 -0.762 2.701 -8.780 1.00 0.00 O ATOM 250 CB ASP A 19 -0.870 0.037 -10.644 1.00 0.00 C ATOM 251 CG ASP A 19 -1.392 -0.278 -12.032 1.00 0.00 C ATOM 252 OD1 ASP A 19 -1.789 0.668 -12.744 1.00 0.00 O ATOM 253 OD2 ASP A 19 -1.404 -1.469 -12.406 1.00 0.00 O ATOM 0 H ASP A 19 1.453 0.120 -11.459 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.523 2.073 -11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.261 -0.795 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.710 0.132 -9.956 1.00 0.00 H new ATOM 258 N PHE A 20 1.000 1.350 -8.418 1.00 0.00 N ATOM 259 CA PHE A 20 1.179 1.773 -7.034 1.00 0.00 C ATOM 260 C PHE A 20 1.533 3.256 -6.960 1.00 0.00 C ATOM 261 O PHE A 20 0.806 4.048 -6.362 1.00 0.00 O ATOM 262 CB PHE A 20 2.274 0.942 -6.362 1.00 0.00 C ATOM 263 CG PHE A 20 2.451 1.252 -4.903 1.00 0.00 C ATOM 264 CD1 PHE A 20 3.285 2.281 -4.496 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.784 0.514 -3.938 1.00 0.00 C ATOM 266 CE1 PHE A 20 3.450 2.569 -3.154 1.00 0.00 C ATOM 267 CE2 PHE A 20 1.945 0.798 -2.595 1.00 0.00 C ATOM 268 CZ PHE A 20 2.780 1.826 -2.203 1.00 0.00 C ATOM 0 H PHE A 20 1.669 0.648 -8.735 1.00 0.00 H new ATOM 0 HA PHE A 20 0.238 1.615 -6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.037 -0.116 -6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.218 1.114 -6.879 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.812 2.865 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.131 -0.292 -4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.102 3.374 -2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.418 0.217 -1.853 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.909 2.048 -1.154 1.00 0.00 H new ATOM 278 N GLU A 21 2.655 3.622 -7.572 1.00 0.00 N ATOM 279 CA GLU A 21 3.105 5.009 -7.574 1.00 0.00 C ATOM 280 C GLU A 21 1.970 5.949 -7.967 1.00 0.00 C ATOM 281 O GLU A 21 1.949 7.114 -7.571 1.00 0.00 O ATOM 282 CB GLU A 21 4.283 5.184 -8.535 1.00 0.00 C ATOM 283 CG GLU A 21 5.640 5.001 -7.875 1.00 0.00 C ATOM 284 CD GLU A 21 6.177 6.288 -7.280 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.053 7.343 -7.938 1.00 0.00 O ATOM 286 OE2 GLU A 21 6.721 6.241 -6.157 1.00 0.00 O ATOM 0 H GLU A 21 3.268 2.978 -8.072 1.00 0.00 H new ATOM 0 HA GLU A 21 3.428 5.261 -6.564 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.185 4.467 -9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.235 6.179 -8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.560 4.248 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.349 4.621 -8.610 1.00 0.00 H new ATOM 293 N ASN A 22 1.027 5.434 -8.749 1.00 0.00 N ATOM 294 CA ASN A 22 -0.112 6.228 -9.197 1.00 0.00 C ATOM 295 C ASN A 22 -1.145 6.375 -8.084 1.00 0.00 C ATOM 296 O ASN A 22 -1.624 7.474 -7.809 1.00 0.00 O ATOM 297 CB ASN A 22 -0.758 5.583 -10.425 1.00 0.00 C ATOM 298 CG ASN A 22 0.082 5.753 -11.677 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.567 6.846 -11.968 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.256 4.669 -12.424 1.00 0.00 N ATOM 0 H ASN A 22 1.029 4.471 -9.086 1.00 0.00 H new ATOM 0 HA ASN A 22 0.252 7.220 -9.464 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.912 4.521 -10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.742 6.023 -10.588 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.811 4.722 -13.278 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.165 3.783 -12.144 1.00 0.00 H new ATOM 307 N SER A 23 -1.482 5.258 -7.446 1.00 0.00 N ATOM 308 CA SER A 23 -2.460 5.262 -6.365 1.00 0.00 C ATOM 309 C SER A 23 -2.007 6.169 -5.225 1.00 0.00 C ATOM 310 O SER A 23 -2.711 7.102 -4.842 1.00 0.00 O ATOM 311 CB SER A 23 -2.680 3.840 -5.843 1.00 0.00 C ATOM 312 OG SER A 23 -3.454 3.077 -6.753 1.00 0.00 O ATOM 0 H SER A 23 -1.092 4.340 -7.659 1.00 0.00 H new ATOM 0 HA SER A 23 -3.400 5.647 -6.761 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.717 3.355 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.182 3.878 -4.876 1.00 0.00 H new ATOM 0 HG SER A 23 -4.190 2.643 -6.273 1.00 0.00 H new ATOM 318 N MET A 24 -0.825 5.887 -4.687 1.00 0.00 N ATOM 319 CA MET A 24 -0.275 6.677 -3.591 1.00 0.00 C ATOM 320 C MET A 24 -0.356 8.168 -3.904 1.00 0.00 C ATOM 321 O MET A 24 -0.595 8.986 -3.016 1.00 0.00 O ATOM 322 CB MET A 24 1.177 6.278 -3.324 1.00 0.00 C ATOM 323 CG MET A 24 2.054 6.308 -4.565 1.00 0.00 C ATOM 324 SD MET A 24 3.774 6.699 -4.192 1.00 0.00 S ATOM 325 CE MET A 24 4.081 8.024 -5.358 1.00 0.00 C ATOM 0 H MET A 24 -0.229 5.117 -4.992 1.00 0.00 H new ATOM 0 HA MET A 24 -0.868 6.477 -2.698 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.598 6.949 -2.576 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.197 5.274 -2.899 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.006 5.339 -5.063 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.661 7.046 -5.265 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.090 8.409 -5.213 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.980 7.645 -6.375 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.360 8.825 -5.196 1.00 0.00 H new ATOM 335 N ASN A 25 -0.155 8.515 -5.171 1.00 0.00 N ATOM 336 CA ASN A 25 -0.204 9.908 -5.600 1.00 0.00 C ATOM 337 C ASN A 25 -1.604 10.485 -5.414 1.00 0.00 C ATOM 338 O ASN A 25 -1.767 11.578 -4.872 1.00 0.00 O ATOM 339 CB ASN A 25 0.219 10.028 -7.065 1.00 0.00 C ATOM 340 CG ASN A 25 0.377 11.470 -7.506 1.00 0.00 C ATOM 341 OD1 ASN A 25 0.514 12.372 -6.679 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.357 11.695 -8.814 1.00 0.00 N ATOM 0 H ASN A 25 0.043 7.850 -5.919 1.00 0.00 H new ATOM 0 HA ASN A 25 0.490 10.477 -4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.162 9.501 -7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.523 9.537 -7.696 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.458 12.646 -9.170 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.241 10.917 -9.464 1.00 0.00 H new ATOM 349 N GLN A 26 -2.609 9.743 -5.866 1.00 0.00 N ATOM 350 CA GLN A 26 -3.995 10.181 -5.749 1.00 0.00 C ATOM 351 C GLN A 26 -4.319 10.585 -4.315 1.00 0.00 C ATOM 352 O GLN A 26 -4.997 11.584 -4.078 1.00 0.00 O ATOM 353 CB GLN A 26 -4.943 9.072 -6.206 1.00 0.00 C ATOM 354 CG GLN A 26 -4.809 8.726 -7.681 1.00 0.00 C ATOM 355 CD GLN A 26 -5.875 7.757 -8.152 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.841 6.571 -7.826 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.831 8.260 -8.925 1.00 0.00 N ATOM 0 H GLN A 26 -2.490 8.836 -6.317 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.130 11.051 -6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.755 8.177 -5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.970 9.377 -6.005 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.868 9.640 -8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.825 8.293 -7.861 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.820 9.250 -9.171 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.576 7.656 -9.273 1.00 0.00 H new ATOM 366 N VAL A 27 -3.830 9.800 -3.360 1.00 0.00 N ATOM 367 CA VAL A 27 -4.067 10.076 -1.948 1.00 0.00 C ATOM 368 C VAL A 27 -3.473 11.420 -1.543 1.00 0.00 C ATOM 369 O VAL A 27 -3.933 12.054 -0.592 1.00 0.00 O ATOM 370 CB VAL A 27 -3.470 8.973 -1.053 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.635 9.331 0.417 1.00 0.00 C ATOM 372 CG2 VAL A 27 -4.118 7.631 -1.359 1.00 0.00 C ATOM 0 H VAL A 27 -3.267 8.968 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.148 10.103 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.404 8.893 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.208 8.541 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.121 10.270 0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.695 9.439 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.685 6.863 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.190 7.694 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.944 7.373 -2.403 1.00 0.00 H new ATOM 382 N LYS A 28 -2.449 11.852 -2.271 1.00 0.00 N ATOM 383 CA LYS A 28 -1.792 13.123 -1.991 1.00 0.00 C ATOM 384 C LYS A 28 -2.456 14.260 -2.760 1.00 0.00 C ATOM 385 O LYS A 28 -2.290 15.433 -2.420 1.00 0.00 O ATOM 386 CB LYS A 28 -0.308 13.044 -2.356 1.00 0.00 C ATOM 387 CG LYS A 28 0.461 12.007 -1.557 1.00 0.00 C ATOM 388 CD LYS A 28 1.662 11.486 -2.329 1.00 0.00 C ATOM 389 CE LYS A 28 2.859 12.414 -2.191 1.00 0.00 C ATOM 390 NZ LYS A 28 4.143 11.704 -2.443 1.00 0.00 N ATOM 0 H LYS A 28 -2.056 11.340 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.887 13.326 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.215 12.814 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.148 14.022 -2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.794 12.445 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.199 11.177 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.926 10.493 -1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.401 11.381 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.759 13.243 -2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.872 12.843 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.934 12.371 -2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.251 10.929 -1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.141 11.316 -3.408 1.00 0.00 H new ATOM 404 N LEU A 29 -3.210 13.907 -3.795 1.00 0.00 N ATOM 405 CA LEU A 29 -3.901 14.899 -4.612 1.00 0.00 C ATOM 406 C LEU A 29 -5.082 15.499 -3.856 1.00 0.00 C ATOM 407 O LEU A 29 -5.278 16.715 -3.854 1.00 0.00 O ATOM 408 CB LEU A 29 -4.386 14.265 -5.917 1.00 0.00 C ATOM 409 CG LEU A 29 -3.408 14.317 -7.092 1.00 0.00 C ATOM 410 CD1 LEU A 29 -1.973 14.226 -6.597 1.00 0.00 C ATOM 411 CD2 LEU A 29 -3.704 13.200 -8.082 1.00 0.00 C ATOM 0 H LEU A 29 -3.359 12.942 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.197 15.698 -4.843 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.632 13.221 -5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.310 14.760 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.535 15.272 -7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.292 14.265 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.765 15.061 -5.927 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.832 13.287 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.999 13.252 -8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.606 12.236 -7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.720 13.310 -8.462 1.00 0.00 H new ATOM 423 N LEU A 30 -5.864 14.640 -3.213 1.00 0.00 N ATOM 424 CA LEU A 30 -7.025 15.086 -2.450 1.00 0.00 C ATOM 425 C LEU A 30 -6.603 15.976 -1.286 1.00 0.00 C ATOM 426 O LEU A 30 -5.718 15.621 -0.508 1.00 0.00 O ATOM 427 CB LEU A 30 -7.809 13.881 -1.927 1.00 0.00 C ATOM 428 CG LEU A 30 -7.089 13.005 -0.901 1.00 0.00 C ATOM 429 CD1 LEU A 30 -7.221 13.597 0.493 1.00 0.00 C ATOM 430 CD2 LEU A 30 -7.636 11.585 -0.934 1.00 0.00 C ATOM 0 H LEU A 30 -5.716 13.631 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.664 15.668 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.735 14.242 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.087 13.257 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.031 12.971 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.702 12.960 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.780 14.594 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.275 13.662 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.112 10.976 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.701 11.600 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.488 11.161 -1.927 1.00 0.00 H new ATOM 442 N LYS A 31 -7.244 17.135 -1.172 1.00 0.00 N ATOM 443 CA LYS A 31 -6.938 18.076 -0.101 1.00 0.00 C ATOM 444 C LYS A 31 -7.976 17.988 1.014 1.00 0.00 C ATOM 445 O LYS A 31 -8.091 18.891 1.842 1.00 0.00 O ATOM 446 CB LYS A 31 -6.883 19.504 -0.649 1.00 0.00 C ATOM 447 CG LYS A 31 -5.919 20.407 0.099 1.00 0.00 C ATOM 448 CD LYS A 31 -6.603 21.118 1.254 1.00 0.00 C ATOM 449 CE LYS A 31 -5.902 22.423 1.599 1.00 0.00 C ATOM 450 NZ LYS A 31 -4.728 22.204 2.489 1.00 0.00 N ATOM 0 H LYS A 31 -7.979 17.445 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.964 17.814 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.594 19.470 -1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.882 19.939 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.085 19.816 0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.502 21.144 -0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.642 21.320 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.613 20.467 2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.576 22.913 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.607 23.096 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.278 23.117 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.042 21.759 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.043 21.582 2.013 1.00 0.00 H new ATOM 464 N LYS A 32 -8.729 16.893 1.029 1.00 0.00 N ATOM 465 CA LYS A 32 -9.755 16.685 2.044 1.00 0.00 C ATOM 466 C LYS A 32 -9.364 15.553 2.989 1.00 0.00 C ATOM 467 O LYS A 32 -9.794 14.412 2.818 1.00 0.00 O ATOM 468 CB LYS A 32 -11.099 16.369 1.382 1.00 0.00 C ATOM 469 CG LYS A 32 -11.810 17.595 0.835 1.00 0.00 C ATOM 470 CD LYS A 32 -12.593 18.315 1.920 1.00 0.00 C ATOM 471 CE LYS A 32 -13.900 17.603 2.230 1.00 0.00 C ATOM 472 NZ LYS A 32 -13.728 16.557 3.275 1.00 0.00 N ATOM 0 H LYS A 32 -8.648 16.136 0.350 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.849 17.603 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.937 15.661 0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.746 15.878 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.079 18.276 0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.486 17.297 0.034 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.989 18.379 2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.801 19.337 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.640 18.331 2.563 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.289 17.146 1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.510 16.617 3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.728 15.617 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.825 16.705 3.769 1.00 0.00 H new ATOM 486 N ASP A 33 -8.548 15.877 3.986 1.00 0.00 N ATOM 487 CA ASP A 33 -8.101 14.888 4.960 1.00 0.00 C ATOM 488 C ASP A 33 -9.242 13.951 5.345 1.00 0.00 C ATOM 489 O ASP A 33 -10.212 14.346 5.991 1.00 0.00 O ATOM 490 CB ASP A 33 -7.551 15.581 6.207 1.00 0.00 C ATOM 491 CG ASP A 33 -8.484 16.655 6.731 1.00 0.00 C ATOM 492 OD1 ASP A 33 -9.438 16.309 7.459 1.00 0.00 O ATOM 493 OD2 ASP A 33 -8.262 17.842 6.413 1.00 0.00 O ATOM 0 H ASP A 33 -8.183 16.817 4.141 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.307 14.297 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.382 14.839 6.987 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.583 16.026 5.975 1.00 0.00 H new ATOM 498 N PRO A 34 -9.125 12.678 4.938 1.00 0.00 N ATOM 499 CA PRO A 34 -10.137 11.658 5.229 1.00 0.00 C ATOM 500 C PRO A 34 -10.176 11.285 6.707 1.00 0.00 C ATOM 501 O PRO A 34 -11.239 11.278 7.327 1.00 0.00 O ATOM 502 CB PRO A 34 -9.686 10.461 4.387 1.00 0.00 C ATOM 503 CG PRO A 34 -8.218 10.650 4.216 1.00 0.00 C ATOM 504 CD PRO A 34 -7.995 12.136 4.164 1.00 0.00 C ATOM 0 HA PRO A 34 -11.144 12.005 4.997 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -9.908 9.519 4.888 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.197 10.439 3.425 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.668 10.202 5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.867 10.170 3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.037 12.414 4.603 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.995 12.507 3.139 1.00 0.00 H new ATOM 512 N GLY A 35 -9.010 10.975 7.266 1.00 0.00 N ATOM 513 CA GLY A 35 -8.935 10.606 8.668 1.00 0.00 C ATOM 514 C GLY A 35 -7.687 9.808 8.990 1.00 0.00 C ATOM 515 O GLY A 35 -7.208 9.032 8.165 1.00 0.00 O ATOM 0 H GLY A 35 -8.117 10.973 6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.954 11.508 9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.816 10.021 8.935 1.00 0.00 H new ATOM 519 N ASN A 36 -7.158 10.002 10.194 1.00 0.00 N ATOM 520 CA ASN A 36 -5.956 9.296 10.623 1.00 0.00 C ATOM 521 C ASN A 36 -6.138 7.786 10.497 1.00 0.00 C ATOM 522 O ASN A 36 -5.164 7.033 10.482 1.00 0.00 O ATOM 523 CB ASN A 36 -5.614 9.660 12.069 1.00 0.00 C ATOM 524 CG ASN A 36 -4.875 10.980 12.173 1.00 0.00 C ATOM 525 OD1 ASN A 36 -5.449 12.045 11.947 1.00 0.00 O ATOM 526 ND2 ASN A 36 -3.593 10.915 12.516 1.00 0.00 N ATOM 0 H ASN A 36 -7.542 10.642 10.889 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.135 9.601 9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.532 9.713 12.654 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.003 8.869 12.505 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.044 11.770 12.601 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.158 10.010 12.694 1.00 0.00 H new ATOM 533 N GLU A 37 -7.391 7.352 10.406 1.00 0.00 N ATOM 534 CA GLU A 37 -7.699 5.932 10.281 1.00 0.00 C ATOM 535 C GLU A 37 -7.136 5.365 8.981 1.00 0.00 C ATOM 536 O GLU A 37 -6.535 4.291 8.968 1.00 0.00 O ATOM 537 CB GLU A 37 -9.212 5.710 10.334 1.00 0.00 C ATOM 538 CG GLU A 37 -9.621 4.257 10.156 1.00 0.00 C ATOM 539 CD GLU A 37 -9.483 3.452 11.433 1.00 0.00 C ATOM 540 OE1 GLU A 37 -9.602 4.045 12.525 1.00 0.00 O ATOM 541 OE2 GLU A 37 -9.257 2.227 11.340 1.00 0.00 O ATOM 0 H GLU A 37 -8.208 7.962 10.416 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.232 5.410 11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.590 6.071 11.291 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.686 6.310 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.655 4.214 9.814 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.008 3.804 9.377 1.00 0.00 H new ATOM 548 N VAL A 38 -7.336 6.095 7.888 1.00 0.00 N ATOM 549 CA VAL A 38 -6.849 5.667 6.582 1.00 0.00 C ATOM 550 C VAL A 38 -5.372 6.002 6.410 1.00 0.00 C ATOM 551 O VAL A 38 -4.606 5.215 5.853 1.00 0.00 O ATOM 552 CB VAL A 38 -7.649 6.323 5.441 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.841 7.808 5.709 1.00 0.00 C ATOM 554 CG2 VAL A 38 -6.955 6.099 4.107 1.00 0.00 C ATOM 0 H VAL A 38 -7.832 6.986 7.881 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.982 4.586 6.534 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.633 5.856 5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.408 8.255 4.892 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.385 7.942 6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.868 8.293 5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.534 6.569 3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.958 6.538 4.138 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.875 5.029 3.914 1.00 0.00 H new ATOM 564 N LYS A 39 -4.977 7.175 6.892 1.00 0.00 N ATOM 565 CA LYS A 39 -3.590 7.615 6.795 1.00 0.00 C ATOM 566 C LYS A 39 -2.640 6.542 7.317 1.00 0.00 C ATOM 567 O LYS A 39 -1.459 6.521 6.968 1.00 0.00 O ATOM 568 CB LYS A 39 -3.390 8.914 7.578 1.00 0.00 C ATOM 569 CG LYS A 39 -3.636 10.166 6.754 1.00 0.00 C ATOM 570 CD LYS A 39 -5.087 10.610 6.834 1.00 0.00 C ATOM 571 CE LYS A 39 -5.230 12.099 6.558 1.00 0.00 C ATOM 572 NZ LYS A 39 -4.570 12.492 5.282 1.00 0.00 N ATOM 0 H LYS A 39 -5.598 7.839 7.354 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.364 7.793 5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.061 8.917 8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.372 8.940 7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.989 10.969 7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.369 9.977 5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.681 10.047 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.484 10.382 7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.287 12.361 6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.794 12.665 7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.857 13.458 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.537 12.458 5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.854 11.835 4.528 1.00 0.00 H new ATOM 586 N LEU A 40 -3.163 5.653 8.153 1.00 0.00 N ATOM 587 CA LEU A 40 -2.361 4.575 8.723 1.00 0.00 C ATOM 588 C LEU A 40 -2.407 3.335 7.836 1.00 0.00 C ATOM 589 O LEU A 40 -1.381 2.706 7.575 1.00 0.00 O ATOM 590 CB LEU A 40 -2.860 4.229 10.127 1.00 0.00 C ATOM 591 CG LEU A 40 -2.611 5.284 11.206 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.579 5.101 12.364 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.172 5.217 11.696 1.00 0.00 C ATOM 0 H LEU A 40 -4.138 5.656 8.452 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.328 4.918 8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.932 4.039 10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.386 3.299 10.440 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.780 6.269 10.770 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.387 5.860 13.122 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.602 5.200 12.002 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.443 4.111 12.799 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.013 5.975 12.463 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.976 4.230 12.115 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.495 5.398 10.861 1.00 0.00 H new ATOM 605 N LYS A 41 -3.603 2.989 7.372 1.00 0.00 N ATOM 606 CA LYS A 41 -3.784 1.827 6.510 1.00 0.00 C ATOM 607 C LYS A 41 -2.951 1.958 5.239 1.00 0.00 C ATOM 608 O LYS A 41 -2.473 0.963 4.692 1.00 0.00 O ATOM 609 CB LYS A 41 -5.261 1.658 6.150 1.00 0.00 C ATOM 610 CG LYS A 41 -5.658 2.360 4.863 1.00 0.00 C ATOM 611 CD LYS A 41 -7.168 2.429 4.708 1.00 0.00 C ATOM 612 CE LYS A 41 -7.757 1.067 4.376 1.00 0.00 C ATOM 613 NZ LYS A 41 -9.195 0.977 4.751 1.00 0.00 N ATOM 0 H LYS A 41 -4.463 3.498 7.579 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.447 0.945 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.484 0.595 6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.872 2.043 6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.244 3.368 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.228 1.832 4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.613 2.804 5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.422 3.138 3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.648 0.875 3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.196 0.292 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.559 0.033 4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.298 1.135 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.735 1.700 4.233 1.00 0.00 H new ATOM 627 N LEU A 42 -2.781 3.190 4.773 1.00 0.00 N ATOM 628 CA LEU A 42 -2.004 3.451 3.566 1.00 0.00 C ATOM 629 C LEU A 42 -0.509 3.321 3.842 1.00 0.00 C ATOM 630 O LEU A 42 0.277 3.041 2.936 1.00 0.00 O ATOM 631 CB LEU A 42 -2.315 4.849 3.028 1.00 0.00 C ATOM 632 CG LEU A 42 -3.466 4.942 2.026 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.194 4.060 0.817 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.781 4.552 2.687 1.00 0.00 C ATOM 0 H LEU A 42 -3.171 4.024 5.212 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.282 2.710 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.542 5.499 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.415 5.243 2.555 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.544 5.975 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.024 4.139 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.274 4.384 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.089 3.024 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.589 4.624 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.714 3.528 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.983 5.224 3.521 1.00 0.00 H new ATOM 646 N TYR A 43 -0.125 3.522 5.097 1.00 0.00 N ATOM 647 CA TYR A 43 1.276 3.428 5.492 1.00 0.00 C ATOM 648 C TYR A 43 1.650 1.988 5.831 1.00 0.00 C ATOM 649 O TYR A 43 2.790 1.568 5.633 1.00 0.00 O ATOM 650 CB TYR A 43 1.551 4.334 6.692 1.00 0.00 C ATOM 651 CG TYR A 43 2.613 3.798 7.625 1.00 0.00 C ATOM 652 CD1 TYR A 43 3.956 4.094 7.425 1.00 0.00 C ATOM 653 CD2 TYR A 43 2.274 2.994 8.706 1.00 0.00 C ATOM 654 CE1 TYR A 43 4.930 3.606 8.274 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.241 2.502 9.562 1.00 0.00 C ATOM 656 CZ TYR A 43 4.568 2.810 9.341 1.00 0.00 C ATOM 657 OH TYR A 43 5.534 2.321 10.190 1.00 0.00 O ATOM 0 H TYR A 43 -0.764 3.751 5.859 1.00 0.00 H new ATOM 0 HA TYR A 43 1.887 3.755 4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.858 5.316 6.332 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.626 4.474 7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.243 4.717 6.591 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.237 2.749 8.880 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.969 3.846 8.104 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.960 1.880 10.399 1.00 0.00 H new ATOM 0 HH TYR A 43 5.111 1.780 10.889 1.00 0.00 H new ATOM 667 N ALA A 44 0.681 1.237 6.343 1.00 0.00 N ATOM 668 CA ALA A 44 0.906 -0.156 6.707 1.00 0.00 C ATOM 669 C ALA A 44 1.377 -0.969 5.506 1.00 0.00 C ATOM 670 O ALA A 44 2.334 -1.739 5.601 1.00 0.00 O ATOM 671 CB ALA A 44 -0.363 -0.761 7.291 1.00 0.00 C ATOM 0 H ALA A 44 -0.268 1.570 6.515 1.00 0.00 H new ATOM 0 HA ALA A 44 1.691 -0.185 7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.180 -1.802 7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.656 -0.204 8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.163 -0.711 6.552 1.00 0.00 H new ATOM 677 N LEU A 45 0.700 -0.794 4.377 1.00 0.00 N ATOM 678 CA LEU A 45 1.049 -1.512 3.156 1.00 0.00 C ATOM 679 C LEU A 45 2.361 -0.994 2.576 1.00 0.00 C ATOM 680 O LEU A 45 3.223 -1.774 2.171 1.00 0.00 O ATOM 681 CB LEU A 45 -0.069 -1.373 2.122 1.00 0.00 C ATOM 682 CG LEU A 45 -1.305 -2.245 2.348 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.898 -3.657 2.739 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.202 -1.632 3.413 1.00 0.00 C ATOM 0 H LEU A 45 -0.094 -0.161 4.281 1.00 0.00 H new ATOM 0 HA LEU A 45 1.175 -2.565 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.385 -0.330 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.341 -1.607 1.139 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.866 -2.296 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.791 -4.263 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.297 -4.096 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.315 -3.626 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.077 -2.266 3.561 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.651 -1.550 4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.522 -0.641 3.092 1.00 0.00 H new ATOM 696 N TYR A 46 2.506 0.326 2.542 1.00 0.00 N ATOM 697 CA TYR A 46 3.714 0.948 2.012 1.00 0.00 C ATOM 698 C TYR A 46 4.964 0.286 2.583 1.00 0.00 C ATOM 699 O TYR A 46 5.826 -0.184 1.840 1.00 0.00 O ATOM 700 CB TYR A 46 3.724 2.444 2.332 1.00 0.00 C ATOM 701 CG TYR A 46 5.052 3.113 2.058 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.409 3.491 0.769 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.951 3.365 3.087 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.621 4.102 0.513 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.165 3.977 2.841 1.00 0.00 C ATOM 706 CZ TYR A 46 7.496 4.343 1.553 1.00 0.00 C ATOM 707 OH TYR A 46 8.705 4.951 1.303 1.00 0.00 O ATOM 0 H TYR A 46 1.803 0.986 2.875 1.00 0.00 H new ATOM 0 HA TYR A 46 3.717 0.814 0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.950 2.938 1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.466 2.584 3.382 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.727 3.304 -0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.696 3.078 4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.882 4.389 -0.495 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.851 4.168 3.653 1.00 0.00 H new ATOM 0 HH TYR A 46 9.202 5.049 2.142 1.00 0.00 H new ATOM 717 N LYS A 47 5.055 0.253 3.908 1.00 0.00 N ATOM 718 CA LYS A 47 6.197 -0.353 4.581 1.00 0.00 C ATOM 719 C LYS A 47 6.225 -1.861 4.357 1.00 0.00 C ATOM 720 O LYS A 47 7.230 -2.519 4.622 1.00 0.00 O ATOM 721 CB LYS A 47 6.150 -0.051 6.081 1.00 0.00 C ATOM 722 CG LYS A 47 6.017 1.429 6.399 1.00 0.00 C ATOM 723 CD LYS A 47 7.357 2.140 6.316 1.00 0.00 C ATOM 724 CE LYS A 47 8.079 2.128 7.656 1.00 0.00 C ATOM 725 NZ LYS A 47 8.990 3.296 7.805 1.00 0.00 N ATOM 0 H LYS A 47 4.351 0.639 4.537 1.00 0.00 H new ATOM 0 HA LYS A 47 7.105 0.076 4.157 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.311 -0.586 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.056 -0.435 6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.316 1.890 5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.601 1.551 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.979 1.658 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.204 3.170 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.347 2.133 8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.652 1.206 7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.463 3.252 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.705 3.277 7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.440 4.176 7.739 1.00 0.00 H new ATOM 739 N GLN A 48 5.114 -2.402 3.866 1.00 0.00 N ATOM 740 CA GLN A 48 5.013 -3.833 3.605 1.00 0.00 C ATOM 741 C GLN A 48 5.470 -4.162 2.188 1.00 0.00 C ATOM 742 O GLN A 48 6.000 -5.243 1.932 1.00 0.00 O ATOM 743 CB GLN A 48 3.574 -4.310 3.813 1.00 0.00 C ATOM 744 CG GLN A 48 3.455 -5.811 4.023 1.00 0.00 C ATOM 745 CD GLN A 48 3.609 -6.210 5.478 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.527 -5.371 6.376 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.832 -7.497 5.718 1.00 0.00 N ATOM 0 H GLN A 48 4.272 -1.871 3.641 1.00 0.00 H new ATOM 0 HA GLN A 48 5.666 -4.352 4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.151 -3.796 4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.977 -4.024 2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.485 -6.150 3.658 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.214 -6.319 3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.892 -8.157 4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.943 -7.825 6.677 1.00 0.00 H new ATOM 756 N ALA A 49 5.261 -3.223 1.271 1.00 0.00 N ATOM 757 CA ALA A 49 5.654 -3.413 -0.120 1.00 0.00 C ATOM 758 C ALA A 49 7.017 -2.788 -0.396 1.00 0.00 C ATOM 759 O ALA A 49 7.446 -2.690 -1.546 1.00 0.00 O ATOM 760 CB ALA A 49 4.603 -2.825 -1.050 1.00 0.00 C ATOM 0 H ALA A 49 4.822 -2.323 1.466 1.00 0.00 H new ATOM 0 HA ALA A 49 5.731 -4.484 -0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.909 -2.974 -2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.648 -3.321 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.498 -1.758 -0.852 1.00 0.00 H new ATOM 766 N THR A 50 7.695 -2.364 0.666 1.00 0.00 N ATOM 767 CA THR A 50 9.008 -1.746 0.538 1.00 0.00 C ATOM 768 C THR A 50 10.023 -2.414 1.459 1.00 0.00 C ATOM 769 O THR A 50 11.173 -2.627 1.079 1.00 0.00 O ATOM 770 CB THR A 50 8.955 -0.240 0.860 1.00 0.00 C ATOM 771 OG1 THR A 50 8.367 -0.035 2.149 1.00 0.00 O ATOM 772 CG2 THR A 50 8.153 0.509 -0.194 1.00 0.00 C ATOM 0 H THR A 50 7.356 -2.438 1.625 1.00 0.00 H new ATOM 0 HA THR A 50 9.319 -1.878 -0.498 1.00 0.00 H new ATOM 0 HB THR A 50 9.974 0.146 0.861 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.418 0.187 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.129 1.570 0.053 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.620 0.374 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.135 0.120 -0.222 1.00 0.00 H new ATOM 780 N GLU A 51 9.587 -2.744 2.672 1.00 0.00 N ATOM 781 CA GLU A 51 10.460 -3.389 3.646 1.00 0.00 C ATOM 782 C GLU A 51 10.020 -4.828 3.902 1.00 0.00 C ATOM 783 O GLU A 51 10.848 -5.726 4.039 1.00 0.00 O ATOM 784 CB GLU A 51 10.462 -2.604 4.960 1.00 0.00 C ATOM 785 CG GLU A 51 10.681 -1.111 4.776 1.00 0.00 C ATOM 786 CD GLU A 51 10.895 -0.387 6.091 1.00 0.00 C ATOM 787 OE1 GLU A 51 9.953 -0.357 6.911 1.00 0.00 O ATOM 788 OE2 GLU A 51 12.002 0.150 6.300 1.00 0.00 O ATOM 0 H GLU A 51 8.637 -2.576 3.002 1.00 0.00 H new ATOM 0 HA GLU A 51 11.470 -3.403 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.512 -2.763 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.243 -3.000 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.546 -0.951 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.819 -0.681 4.265 1.00 0.00 H new ATOM 795 N GLY A 52 8.708 -5.037 3.965 1.00 0.00 N ATOM 796 CA GLY A 52 8.180 -6.367 4.205 1.00 0.00 C ATOM 797 C GLY A 52 7.379 -6.450 5.489 1.00 0.00 C ATOM 798 O GLY A 52 6.675 -5.514 5.869 1.00 0.00 O ATOM 0 H GLY A 52 8.002 -4.309 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.548 -6.660 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.004 -7.079 4.248 1.00 0.00 H new ATOM 802 N PRO A 53 7.479 -7.595 6.181 1.00 0.00 N ATOM 803 CA PRO A 53 6.764 -7.825 7.439 1.00 0.00 C ATOM 804 C PRO A 53 7.310 -6.973 8.580 1.00 0.00 C ATOM 805 O PRO A 53 8.523 -6.810 8.720 1.00 0.00 O ATOM 806 CB PRO A 53 7.005 -9.310 7.718 1.00 0.00 C ATOM 807 CG PRO A 53 8.277 -9.627 7.011 1.00 0.00 C ATOM 808 CD PRO A 53 8.299 -8.753 5.787 1.00 0.00 C ATOM 0 HA PRO A 53 5.710 -7.557 7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.088 -9.503 8.787 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.183 -9.921 7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.138 -9.427 7.649 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.320 -10.682 6.738 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.314 -8.456 5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.881 -9.265 4.920 1.00 0.00 H new ATOM 816 N CYS A 54 6.409 -6.434 9.394 1.00 0.00 N ATOM 817 CA CYS A 54 6.802 -5.598 10.523 1.00 0.00 C ATOM 818 C CYS A 54 7.888 -6.277 11.350 1.00 0.00 C ATOM 819 O CYS A 54 7.619 -7.223 12.090 1.00 0.00 O ATOM 820 CB CYS A 54 5.590 -5.293 11.404 1.00 0.00 C ATOM 821 SG CYS A 54 6.005 -4.557 13.002 1.00 0.00 S ATOM 0 H CYS A 54 5.402 -6.561 9.293 1.00 0.00 H new ATOM 0 HA CYS A 54 7.201 -4.663 10.130 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.925 -4.617 10.867 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.037 -6.216 11.574 1.00 0.00 H new ATOM 0 HG CYS A 54 5.036 -3.781 13.387 1.00 0.00 H new ATOM 827 N ASN A 55 9.118 -5.790 11.218 1.00 0.00 N ATOM 828 CA ASN A 55 10.246 -6.352 11.951 1.00 0.00 C ATOM 829 C ASN A 55 10.888 -5.300 12.851 1.00 0.00 C ATOM 830 O ASN A 55 12.031 -5.449 13.280 1.00 0.00 O ATOM 831 CB ASN A 55 11.287 -6.910 10.978 1.00 0.00 C ATOM 832 CG ASN A 55 11.993 -5.818 10.198 1.00 0.00 C ATOM 833 OD1 ASN A 55 13.129 -5.455 10.507 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.322 -5.288 9.182 1.00 0.00 N ATOM 0 H ASN A 55 9.358 -5.007 10.610 1.00 0.00 H new ATOM 0 HA ASN A 55 9.873 -7.162 12.577 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.024 -7.491 11.532 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.800 -7.593 10.282 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.746 -4.549 8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.383 -5.620 8.962 1.00 0.00 H new ATOM 841 N MET A 56 10.142 -4.237 13.134 1.00 0.00 N ATOM 842 CA MET A 56 10.637 -3.161 13.985 1.00 0.00 C ATOM 843 C MET A 56 10.217 -3.378 15.435 1.00 0.00 C ATOM 844 O MET A 56 9.216 -4.033 15.725 1.00 0.00 O ATOM 845 CB MET A 56 10.120 -1.810 13.488 1.00 0.00 C ATOM 846 CG MET A 56 8.655 -1.832 13.081 1.00 0.00 C ATOM 847 SD MET A 56 8.009 -0.188 12.721 1.00 0.00 S ATOM 848 CE MET A 56 8.644 0.739 14.116 1.00 0.00 C ATOM 0 H MET A 56 9.193 -4.098 12.787 1.00 0.00 H new ATOM 0 HA MET A 56 11.726 -3.165 13.937 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.260 -1.066 14.272 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.721 -1.492 12.636 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.536 -2.465 12.202 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.067 -2.282 13.881 1.00 0.00 H new ATOM 0 HE1 MET A 56 8.030 1.626 14.273 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.616 0.116 15.010 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.672 1.040 13.915 1.00 0.00 H new ATOM 858 N PRO A 57 10.999 -2.815 16.369 1.00 0.00 N ATOM 859 CA PRO A 57 10.727 -2.934 17.805 1.00 0.00 C ATOM 860 C PRO A 57 9.490 -2.148 18.227 1.00 0.00 C ATOM 861 O PRO A 57 9.330 -0.981 17.869 1.00 0.00 O ATOM 862 CB PRO A 57 11.982 -2.344 18.453 1.00 0.00 C ATOM 863 CG PRO A 57 12.534 -1.411 17.431 1.00 0.00 C ATOM 864 CD PRO A 57 12.208 -2.021 16.095 1.00 0.00 C ATOM 0 HA PRO A 57 10.523 -3.964 18.098 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.741 -1.820 19.378 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.700 -3.124 18.706 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.090 -0.420 17.527 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.610 -1.291 17.553 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.025 -1.258 15.339 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.023 -2.644 15.728 1.00 0.00 H new ATOM 872 N LYS A 58 8.616 -2.795 18.991 1.00 0.00 N ATOM 873 CA LYS A 58 7.394 -2.158 19.465 1.00 0.00 C ATOM 874 C LYS A 58 7.712 -0.907 20.279 1.00 0.00 C ATOM 875 O LYS A 58 8.415 -0.957 21.288 1.00 0.00 O ATOM 876 CB LYS A 58 6.578 -3.137 20.312 1.00 0.00 C ATOM 877 CG LYS A 58 5.127 -2.725 20.491 1.00 0.00 C ATOM 878 CD LYS A 58 4.261 -3.901 20.910 1.00 0.00 C ATOM 879 CE LYS A 58 2.801 -3.498 21.044 1.00 0.00 C ATOM 880 NZ LYS A 58 2.059 -4.399 21.969 1.00 0.00 N ATOM 0 H LYS A 58 8.732 -3.762 19.295 1.00 0.00 H new ATOM 0 HA LYS A 58 6.807 -1.864 18.595 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.612 -4.122 19.847 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.044 -3.231 21.293 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.061 -1.938 21.242 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.749 -2.308 19.558 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.353 -4.701 20.176 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.619 -4.297 21.860 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.739 -2.473 21.409 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.328 -3.516 20.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.068 -4.091 22.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.096 -5.374 21.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.495 -4.363 22.913 1.00 0.00 H new ATOM 894 N PRO A 59 7.182 0.241 19.832 1.00 0.00 N ATOM 895 CA PRO A 59 7.395 1.526 20.506 1.00 0.00 C ATOM 896 C PRO A 59 6.676 1.602 21.849 1.00 0.00 C ATOM 897 O PRO A 59 5.847 0.751 22.169 1.00 0.00 O ATOM 898 CB PRO A 59 6.806 2.543 19.526 1.00 0.00 C ATOM 899 CG PRO A 59 5.796 1.774 18.744 1.00 0.00 C ATOM 900 CD PRO A 59 6.335 0.374 18.636 1.00 0.00 C ATOM 0 HA PRO A 59 8.447 1.696 20.736 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.346 3.380 20.052 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.576 2.959 18.877 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.827 1.782 19.243 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.649 2.213 17.757 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.534 -0.365 18.627 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.909 0.234 17.720 1.00 0.00 H new ATOM 908 N GLY A 60 7.000 2.627 22.631 1.00 0.00 N ATOM 909 CA GLY A 60 6.375 2.795 23.930 1.00 0.00 C ATOM 910 C GLY A 60 4.994 3.414 23.834 1.00 0.00 C ATOM 911 O GLY A 60 4.672 4.080 22.850 1.00 0.00 O ATOM 0 H GLY A 60 7.684 3.344 22.388 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.302 1.825 24.422 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.009 3.423 24.556 1.00 0.00 H new ATOM 915 N VAL A 61 4.176 3.193 24.857 1.00 0.00 N ATOM 916 CA VAL A 61 2.822 3.733 24.884 1.00 0.00 C ATOM 917 C VAL A 61 2.827 5.240 24.659 1.00 0.00 C ATOM 918 O VAL A 61 2.123 5.752 23.788 1.00 0.00 O ATOM 919 CB VAL A 61 2.121 3.426 26.221 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.783 1.947 26.320 1.00 0.00 C ATOM 921 CG2 VAL A 61 2.992 3.862 27.390 1.00 0.00 C ATOM 0 H VAL A 61 4.427 2.643 25.679 1.00 0.00 H new ATOM 0 HA VAL A 61 2.273 3.250 24.076 1.00 0.00 H new ATOM 0 HB VAL A 61 1.189 3.990 26.261 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.288 1.750 27.271 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.119 1.670 25.501 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.699 1.360 26.259 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.482 3.638 28.327 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.941 3.327 27.356 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.178 4.934 27.325 1.00 0.00 H new ATOM 931 N PHE A 62 3.626 5.948 25.451 1.00 0.00 N ATOM 932 CA PHE A 62 3.723 7.399 25.339 1.00 0.00 C ATOM 933 C PHE A 62 3.985 7.817 23.896 1.00 0.00 C ATOM 934 O PHE A 62 3.728 8.958 23.512 1.00 0.00 O ATOM 935 CB PHE A 62 4.836 7.928 26.246 1.00 0.00 C ATOM 936 CG PHE A 62 4.431 8.046 27.687 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.500 6.950 28.532 1.00 0.00 C ATOM 938 CD2 PHE A 62 3.980 9.253 28.197 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.128 7.055 29.859 1.00 0.00 C ATOM 940 CE2 PHE A 62 3.607 9.364 29.523 1.00 0.00 C ATOM 941 CZ PHE A 62 3.680 8.263 30.355 1.00 0.00 C ATOM 0 H PHE A 62 4.215 5.541 26.177 1.00 0.00 H new ATOM 0 HA PHE A 62 2.772 7.827 25.655 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.699 7.266 26.173 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.153 8.906 25.885 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.849 6.002 28.149 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.919 10.116 27.551 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.188 6.193 30.507 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.259 10.311 29.909 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.387 8.347 31.391 1.00 0.00 H new ATOM 951 N ASP A 63 4.499 6.885 23.101 1.00 0.00 N ATOM 952 CA ASP A 63 4.797 7.156 21.699 1.00 0.00 C ATOM 953 C ASP A 63 3.601 6.816 20.814 1.00 0.00 C ATOM 954 O ASP A 63 3.755 6.238 19.738 1.00 0.00 O ATOM 955 CB ASP A 63 6.021 6.355 21.251 1.00 0.00 C ATOM 956 CG ASP A 63 6.769 7.027 20.117 1.00 0.00 C ATOM 957 OD1 ASP A 63 6.155 7.852 19.408 1.00 0.00 O ATOM 958 OD2 ASP A 63 7.968 6.727 19.936 1.00 0.00 O ATOM 0 H ASP A 63 4.718 5.936 23.403 1.00 0.00 H new ATOM 0 HA ASP A 63 5.011 8.220 21.598 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.694 6.222 22.098 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.705 5.361 20.935 1.00 0.00 H new ATOM 963 N LEU A 64 2.409 7.179 21.275 1.00 0.00 N ATOM 964 CA LEU A 64 1.186 6.912 20.527 1.00 0.00 C ATOM 965 C LEU A 64 1.408 7.110 19.031 1.00 0.00 C ATOM 966 O LEU A 64 0.830 6.400 18.208 1.00 0.00 O ATOM 967 CB LEU A 64 0.058 7.826 21.012 1.00 0.00 C ATOM 968 CG LEU A 64 -0.160 7.878 22.524 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.263 8.865 22.871 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.492 6.494 23.063 1.00 0.00 C ATOM 0 H LEU A 64 2.264 7.659 22.163 1.00 0.00 H new ATOM 0 HA LEU A 64 0.904 5.873 20.699 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.260 8.837 20.659 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.871 7.504 20.542 1.00 0.00 H new ATOM 0 HG LEU A 64 0.764 8.217 22.993 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.404 8.888 23.952 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.986 9.859 22.520 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.192 8.557 22.391 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.644 6.550 24.141 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.401 6.127 22.587 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.331 5.813 22.848 1.00 0.00 H new ATOM 982 N ILE A 65 2.251 8.078 18.687 1.00 0.00 N ATOM 983 CA ILE A 65 2.553 8.367 17.290 1.00 0.00 C ATOM 984 C ILE A 65 3.130 7.142 16.588 1.00 0.00 C ATOM 985 O ILE A 65 2.641 6.729 15.538 1.00 0.00 O ATOM 986 CB ILE A 65 3.547 9.536 17.159 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.935 10.820 17.722 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.949 9.728 15.704 1.00 0.00 C ATOM 989 CD1 ILE A 65 1.506 11.050 17.285 1.00 0.00 C ATOM 0 H ILE A 65 2.737 8.675 19.356 1.00 0.00 H new ATOM 0 HA ILE A 65 1.613 8.646 16.815 1.00 0.00 H new ATOM 0 HB ILE A 65 4.442 9.300 17.735 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.972 10.784 18.811 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.543 11.670 17.411 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.652 10.558 15.627 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.420 8.818 15.334 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.063 9.946 15.108 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.137 11.978 17.722 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.465 11.119 16.198 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.885 10.219 17.620 1.00 0.00 H new ATOM 1001 N ASN A 66 4.173 6.565 17.177 1.00 0.00 N ATOM 1002 CA ASN A 66 4.816 5.386 16.608 1.00 0.00 C ATOM 1003 C ASN A 66 3.985 4.134 16.869 1.00 0.00 C ATOM 1004 O ASN A 66 3.953 3.215 16.050 1.00 0.00 O ATOM 1005 CB ASN A 66 6.218 5.213 17.195 1.00 0.00 C ATOM 1006 CG ASN A 66 7.263 6.015 16.443 1.00 0.00 C ATOM 1007 OD1 ASN A 66 8.128 5.453 15.771 1.00 0.00 O ATOM 1008 ND2 ASN A 66 7.187 7.336 16.555 1.00 0.00 N ATOM 0 H ASN A 66 4.590 6.895 18.047 1.00 0.00 H new ATOM 0 HA ASN A 66 4.895 5.529 15.530 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.211 5.520 18.241 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.490 4.158 17.174 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.863 7.928 16.073 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.453 7.758 17.123 1.00 0.00 H new ATOM 1015 N LYS A 67 3.313 4.105 18.015 1.00 0.00 N ATOM 1016 CA LYS A 67 2.479 2.967 18.384 1.00 0.00 C ATOM 1017 C LYS A 67 1.327 2.793 17.399 1.00 0.00 C ATOM 1018 O LYS A 67 0.930 1.672 17.086 1.00 0.00 O ATOM 1019 CB LYS A 67 1.929 3.150 19.801 1.00 0.00 C ATOM 1020 CG LYS A 67 1.628 1.841 20.510 1.00 0.00 C ATOM 1021 CD LYS A 67 2.903 1.096 20.868 1.00 0.00 C ATOM 1022 CE LYS A 67 2.717 0.239 22.111 1.00 0.00 C ATOM 1023 NZ LYS A 67 2.898 1.028 23.361 1.00 0.00 N ATOM 0 H LYS A 67 3.330 4.857 18.704 1.00 0.00 H new ATOM 0 HA LYS A 67 3.098 2.070 18.353 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.650 3.716 20.391 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.018 3.746 19.754 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.055 2.040 21.416 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.006 1.214 19.871 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.204 0.465 20.032 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.709 1.811 21.035 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.721 -0.203 22.102 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.431 -0.584 22.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.752 0.702 23.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.999 2.036 23.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.070 0.899 23.976 1.00 0.00 H new ATOM 1037 N ALA A 68 0.797 3.911 16.913 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.306 3.882 15.960 1.00 0.00 C ATOM 1039 C ALA A 68 0.102 3.182 14.669 1.00 0.00 C ATOM 1040 O ALA A 68 -0.606 2.305 14.174 1.00 0.00 O ATOM 1041 CB ALA A 68 -0.788 5.295 15.667 1.00 0.00 C ATOM 0 H ALA A 68 1.114 4.848 17.164 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.124 3.316 16.406 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.612 5.258 14.954 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.129 5.762 16.591 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.031 5.879 15.246 1.00 0.00 H new ATOM 1047 N LYS A 69 1.250 3.575 14.125 1.00 0.00 N ATOM 1048 CA LYS A 69 1.754 2.985 12.891 1.00 0.00 C ATOM 1049 C LYS A 69 2.138 1.524 13.103 1.00 0.00 C ATOM 1050 O LYS A 69 1.752 0.652 12.324 1.00 0.00 O ATOM 1051 CB LYS A 69 2.963 3.773 12.382 1.00 0.00 C ATOM 1052 CG LYS A 69 2.597 4.911 11.445 1.00 0.00 C ATOM 1053 CD LYS A 69 2.284 6.185 12.211 1.00 0.00 C ATOM 1054 CE LYS A 69 1.746 7.271 11.292 1.00 0.00 C ATOM 1055 NZ LYS A 69 2.840 8.085 10.694 1.00 0.00 N ATOM 0 H LYS A 69 1.849 4.300 14.520 1.00 0.00 H new ATOM 0 HA LYS A 69 0.960 3.028 12.146 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.508 4.177 13.235 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.639 3.092 11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.420 5.094 10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.734 4.625 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.553 5.972 12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.186 6.542 12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.157 6.814 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.075 7.921 11.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.432 8.814 10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.387 8.542 11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.467 7.469 10.138 1.00 0.00 H new ATOM 1069 N TRP A 70 2.898 1.265 14.161 1.00 0.00 N ATOM 1070 CA TRP A 70 3.333 -0.091 14.475 1.00 0.00 C ATOM 1071 C TRP A 70 2.166 -1.069 14.395 1.00 0.00 C ATOM 1072 O TRP A 70 2.306 -2.175 13.873 1.00 0.00 O ATOM 1073 CB TRP A 70 3.958 -0.138 15.870 1.00 0.00 C ATOM 1074 CG TRP A 70 4.807 -1.351 16.101 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.130 -1.496 15.796 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.389 -2.591 16.684 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.560 -2.751 16.153 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.512 -3.441 16.701 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.178 -3.064 17.194 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.456 -4.737 17.208 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.123 -4.350 17.696 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.256 -5.174 17.701 1.00 0.00 C ATOM 0 H TRP A 70 3.226 1.976 14.815 1.00 0.00 H new ATOM 0 HA TRP A 70 4.081 -0.385 13.739 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.565 0.755 16.018 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.164 -0.111 16.617 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.748 -0.736 15.341 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.507 -3.110 16.030 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.300 -2.435 17.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.328 -5.374 17.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.191 -4.726 18.091 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.181 -6.174 18.102 1.00 0.00 H new ATOM 1093 N ASP A 71 1.016 -0.655 14.915 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.176 -1.495 14.900 1.00 0.00 C ATOM 1095 C ASP A 71 -0.736 -1.621 13.486 1.00 0.00 C ATOM 1096 O ASP A 71 -1.383 -2.611 13.150 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.242 -0.921 15.835 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.057 -1.372 17.270 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -0.816 -2.579 17.487 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.152 -0.519 18.177 1.00 0.00 O ATOM 0 H ASP A 71 0.884 0.257 15.352 1.00 0.00 H new ATOM 0 HA ASP A 71 0.106 -2.488 15.249 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.210 0.168 15.792 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.229 -1.225 15.486 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.482 -0.609 12.663 1.00 0.00 N ATOM 1106 CA ALA A 72 -0.959 -0.606 11.286 1.00 0.00 C ATOM 1107 C ALA A 72 -0.101 -1.509 10.406 1.00 0.00 C ATOM 1108 O ALA A 72 -0.621 -2.279 9.598 1.00 0.00 O ATOM 1109 CB ALA A 72 -0.973 0.812 10.735 1.00 0.00 C ATOM 0 H ALA A 72 0.052 0.219 12.926 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.977 -0.996 11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.331 0.799 9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.634 1.431 11.341 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.036 1.223 10.763 1.00 0.00 H new ATOM 1115 N TRP A 73 1.213 -1.409 10.568 1.00 0.00 N ATOM 1116 CA TRP A 73 2.143 -2.217 9.787 1.00 0.00 C ATOM 1117 C TRP A 73 2.280 -3.615 10.379 1.00 0.00 C ATOM 1118 O TRP A 73 2.497 -4.587 9.657 1.00 0.00 O ATOM 1119 CB TRP A 73 3.513 -1.539 9.726 1.00 0.00 C ATOM 1120 CG TRP A 73 4.511 -2.292 8.899 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.250 -3.291 8.006 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.931 -2.105 8.891 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.421 -3.738 7.444 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.467 -3.026 7.969 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.802 -1.250 9.571 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.832 -3.113 7.713 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.157 -1.338 9.316 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.662 -2.263 8.393 1.00 0.00 C ATOM 0 H TRP A 73 1.659 -0.777 11.233 1.00 0.00 H new ATOM 0 HA TRP A 73 1.745 -2.308 8.776 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.396 -0.535 9.317 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.901 -1.427 10.739 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.267 -3.674 7.775 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.499 -4.480 6.748 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.423 -0.533 10.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.223 -3.826 7.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.839 -0.682 9.837 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.726 -2.306 8.215 1.00 0.00 H new ATOM 1139 N ASN A 74 2.150 -3.709 11.699 1.00 0.00 N ATOM 1140 CA ASN A 74 2.260 -4.990 12.388 1.00 0.00 C ATOM 1141 C ASN A 74 1.147 -5.939 11.953 1.00 0.00 C ATOM 1142 O ASN A 74 1.391 -7.114 11.679 1.00 0.00 O ATOM 1143 CB ASN A 74 2.206 -4.784 13.903 1.00 0.00 C ATOM 1144 CG ASN A 74 2.095 -6.092 14.661 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.632 -7.116 14.238 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.394 -6.065 15.789 1.00 0.00 N ATOM 0 H ASN A 74 1.969 -2.914 12.312 1.00 0.00 H new ATOM 0 HA ASN A 74 3.218 -5.436 12.122 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.102 -4.255 14.227 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.354 -4.150 14.151 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.284 -6.915 16.342 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.966 -5.194 16.103 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.075 -5.421 11.891 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.224 -6.220 11.487 1.00 0.00 C ATOM 1155 C ALA A 75 -0.916 -7.029 10.232 1.00 0.00 C ATOM 1156 O ALA A 75 -1.259 -8.209 10.141 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.434 -5.327 11.257 1.00 0.00 C ATOM 0 H ALA A 75 -0.294 -4.451 12.116 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.450 -6.919 12.292 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.285 -5.938 10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.676 -4.797 12.178 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.209 -4.605 10.472 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.268 -6.389 9.265 1.00 0.00 N ATOM 1164 CA LEU A 76 0.087 -7.049 8.014 1.00 0.00 C ATOM 1165 C LEU A 76 0.682 -8.429 8.275 1.00 0.00 C ATOM 1166 O LEU A 76 0.245 -9.425 7.699 1.00 0.00 O ATOM 1167 CB LEU A 76 1.080 -6.194 7.226 1.00 0.00 C ATOM 1168 CG LEU A 76 0.478 -5.070 6.383 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.032 -5.612 5.056 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.642 -4.375 7.143 1.00 0.00 C ATOM 0 H LEU A 76 0.022 -5.413 9.324 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.823 -7.171 7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.788 -5.754 7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.650 -6.849 6.567 1.00 0.00 H new ATOM 0 HG LEU A 76 1.259 -4.338 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.457 -4.797 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.794 -6.063 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.799 -6.364 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.059 -3.578 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.424 -5.097 7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.247 -3.952 8.067 1.00 0.00 H new ATOM 1182 N GLY A 77 1.680 -8.481 9.152 1.00 0.00 N ATOM 1183 CA GLY A 77 2.318 -9.744 9.476 1.00 0.00 C ATOM 1184 C GLY A 77 3.295 -10.192 8.408 1.00 0.00 C ATOM 1185 O GLY A 77 4.118 -9.404 7.940 1.00 0.00 O ATOM 0 H GLY A 77 2.058 -7.671 9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.843 -9.649 10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.554 -10.510 9.609 1.00 0.00 H new ATOM 1189 N SER A 78 3.208 -11.460 8.022 1.00 0.00 N ATOM 1190 CA SER A 78 4.095 -12.013 7.006 1.00 0.00 C ATOM 1191 C SER A 78 3.564 -11.724 5.605 1.00 0.00 C ATOM 1192 O SER A 78 3.728 -12.529 4.687 1.00 0.00 O ATOM 1193 CB SER A 78 4.252 -13.523 7.202 1.00 0.00 C ATOM 1194 OG SER A 78 5.006 -13.809 8.367 1.00 0.00 O ATOM 0 H SER A 78 2.532 -12.125 8.398 1.00 0.00 H new ATOM 0 HA SER A 78 5.069 -11.536 7.112 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.269 -13.987 7.278 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.743 -13.957 6.331 1.00 0.00 H new ATOM 0 HG SER A 78 5.091 -14.780 8.472 1.00 0.00 H new ATOM 1200 N LEU A 79 2.927 -10.569 5.448 1.00 0.00 N ATOM 1201 CA LEU A 79 2.371 -10.171 4.159 1.00 0.00 C ATOM 1202 C LEU A 79 3.480 -9.829 3.170 1.00 0.00 C ATOM 1203 O LEU A 79 4.318 -8.960 3.415 1.00 0.00 O ATOM 1204 CB LEU A 79 1.438 -8.971 4.333 1.00 0.00 C ATOM 1205 CG LEU A 79 0.427 -8.739 3.209 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.140 -8.381 1.915 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.447 -9.970 3.015 1.00 0.00 C ATOM 0 H LEU A 79 2.783 -9.892 6.197 1.00 0.00 H new ATOM 0 HA LEU A 79 1.802 -11.011 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.891 -9.094 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.048 -8.074 4.437 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.214 -7.903 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.404 -8.220 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.722 -7.471 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.805 -9.195 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.160 -9.787 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.179 -10.824 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.987 -10.182 3.938 1.00 0.00 H new ATOM 1219 N PRO A 80 3.487 -10.525 2.024 1.00 0.00 N ATOM 1220 CA PRO A 80 4.486 -10.310 0.973 1.00 0.00 C ATOM 1221 C PRO A 80 4.310 -8.968 0.271 1.00 0.00 C ATOM 1222 O PRO A 80 3.215 -8.407 0.248 1.00 0.00 O ATOM 1223 CB PRO A 80 4.229 -11.462 -0.002 1.00 0.00 C ATOM 1224 CG PRO A 80 2.799 -11.824 0.208 1.00 0.00 C ATOM 1225 CD PRO A 80 2.519 -11.576 1.665 1.00 0.00 C ATOM 0 HA PRO A 80 5.500 -10.290 1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.413 -11.157 -1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.886 -12.308 0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.147 -11.220 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.618 -12.867 -0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.492 -11.249 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.664 -12.477 2.261 1.00 0.00 H new ATOM 1233 N LYS A 81 5.395 -8.459 -0.303 1.00 0.00 N ATOM 1234 CA LYS A 81 5.361 -7.183 -1.008 1.00 0.00 C ATOM 1235 C LYS A 81 4.365 -7.226 -2.163 1.00 0.00 C ATOM 1236 O LYS A 81 3.519 -6.343 -2.297 1.00 0.00 O ATOM 1237 CB LYS A 81 6.753 -6.830 -1.535 1.00 0.00 C ATOM 1238 CG LYS A 81 7.736 -6.443 -0.444 1.00 0.00 C ATOM 1239 CD LYS A 81 9.174 -6.670 -0.882 1.00 0.00 C ATOM 1240 CE LYS A 81 10.155 -5.967 0.043 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.448 -5.676 -0.637 1.00 0.00 N ATOM 0 H LYS A 81 6.309 -8.911 -0.294 1.00 0.00 H new ATOM 0 HA LYS A 81 5.041 -6.416 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.151 -7.683 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.666 -6.006 -2.243 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.596 -5.394 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.532 -7.026 0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.387 -7.739 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.307 -6.305 -1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.715 -5.036 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.337 -6.589 0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.089 -5.197 0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.881 -6.566 -0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.278 -5.061 -1.458 1.00 0.00 H new ATOM 1255 N GLU A 82 4.471 -8.260 -2.992 1.00 0.00 N ATOM 1256 CA GLU A 82 3.578 -8.417 -4.134 1.00 0.00 C ATOM 1257 C GLU A 82 2.127 -8.181 -3.727 1.00 0.00 C ATOM 1258 O GLU A 82 1.355 -7.572 -4.466 1.00 0.00 O ATOM 1259 CB GLU A 82 3.729 -9.814 -4.739 1.00 0.00 C ATOM 1260 CG GLU A 82 3.363 -10.935 -3.781 1.00 0.00 C ATOM 1261 CD GLU A 82 3.258 -12.281 -4.471 1.00 0.00 C ATOM 1262 OE1 GLU A 82 4.150 -12.602 -5.284 1.00 0.00 O ATOM 1263 OE2 GLU A 82 2.283 -13.014 -4.199 1.00 0.00 O ATOM 0 H GLU A 82 5.166 -9.001 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 82 3.852 -7.673 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.100 -9.886 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.760 -9.949 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.113 -10.993 -2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.413 -10.702 -3.301 1.00 0.00 H new ATOM 1270 N ALA A 83 1.763 -8.670 -2.545 1.00 0.00 N ATOM 1271 CA ALA A 83 0.406 -8.512 -2.038 1.00 0.00 C ATOM 1272 C ALA A 83 0.226 -7.156 -1.363 1.00 0.00 C ATOM 1273 O ALA A 83 -0.814 -6.514 -1.507 1.00 0.00 O ATOM 1274 CB ALA A 83 0.070 -9.635 -1.068 1.00 0.00 C ATOM 0 H ALA A 83 2.390 -9.179 -1.921 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.279 -8.561 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.947 -9.504 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.149 -10.594 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.767 -9.613 -0.230 1.00 0.00 H new ATOM 1280 N ALA A 84 1.246 -6.728 -0.627 1.00 0.00 N ATOM 1281 CA ALA A 84 1.201 -5.448 0.069 1.00 0.00 C ATOM 1282 C ALA A 84 0.792 -4.323 -0.876 1.00 0.00 C ATOM 1283 O ALA A 84 -0.076 -3.512 -0.552 1.00 0.00 O ATOM 1284 CB ALA A 84 2.550 -5.144 0.703 1.00 0.00 C ATOM 0 H ALA A 84 2.113 -7.249 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 84 0.450 -5.517 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.502 -4.185 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.801 -5.928 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.315 -5.100 -0.072 1.00 0.00 H new ATOM 1290 N ARG A 85 1.424 -4.280 -2.045 1.00 0.00 N ATOM 1291 CA ARG A 85 1.127 -3.253 -3.036 1.00 0.00 C ATOM 1292 C ARG A 85 -0.313 -3.371 -3.527 1.00 0.00 C ATOM 1293 O ARG A 85 -1.020 -2.372 -3.652 1.00 0.00 O ATOM 1294 CB ARG A 85 2.091 -3.361 -4.218 1.00 0.00 C ATOM 1295 CG ARG A 85 3.360 -2.542 -4.047 1.00 0.00 C ATOM 1296 CD ARG A 85 4.031 -2.269 -5.384 1.00 0.00 C ATOM 1297 NE ARG A 85 5.218 -1.430 -5.239 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.390 -1.882 -4.807 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.532 -3.159 -4.481 1.00 0.00 N ATOM 1300 NH2 ARG A 85 7.423 -1.056 -4.703 1.00 0.00 N ATOM 0 H ARG A 85 2.144 -4.944 -2.328 1.00 0.00 H new ATOM 0 HA ARG A 85 1.252 -2.279 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.361 -4.407 -4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.579 -3.037 -5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.122 -1.597 -3.559 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.052 -3.073 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.310 -3.214 -5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.322 -1.781 -6.053 1.00 0.00 H new ATOM 0 HE ARG A 85 5.143 -0.442 -5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.740 -3.797 -4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.433 -3.504 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.318 -0.073 -4.955 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.323 -1.404 -4.371 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.739 -4.599 -3.805 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.093 -4.848 -4.284 1.00 0.00 C ATOM 1316 C GLN A 86 -3.126 -4.313 -3.298 1.00 0.00 C ATOM 1317 O GLN A 86 -4.189 -3.837 -3.694 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.312 -6.345 -4.507 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.400 -6.657 -5.521 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.758 -6.133 -5.100 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -5.376 -6.653 -4.170 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -5.232 -5.097 -5.782 1.00 0.00 N ATOM 0 H GLN A 86 -0.166 -5.437 -3.707 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.217 -4.325 -5.232 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.377 -6.795 -4.840 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.569 -6.812 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.130 -6.223 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.460 -7.736 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.687 -4.697 -6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.141 -4.702 -5.542 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.805 -4.394 -2.010 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.706 -3.918 -0.967 1.00 0.00 C ATOM 1333 C ASN A 87 -3.697 -2.394 -0.893 1.00 0.00 C ATOM 1334 O ASN A 87 -4.733 -1.767 -0.668 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.307 -4.507 0.388 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.824 -5.920 0.578 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.992 -6.127 0.908 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.954 -6.902 0.371 1.00 0.00 N ATOM 0 H ASN A 87 -1.928 -4.785 -1.664 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.715 -4.246 -1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.221 -4.505 0.476 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.692 -3.872 1.185 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.245 -7.873 0.484 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.995 -6.685 0.099 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.522 -1.805 -1.085 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.378 -0.355 -1.039 1.00 0.00 C ATOM 1347 C TYR A 88 -3.213 0.311 -2.128 1.00 0.00 C ATOM 1348 O TYR A 88 -3.928 1.280 -1.873 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.908 0.037 -1.197 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.663 1.525 -1.086 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -1.132 2.400 -2.058 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.037 2.056 -0.009 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.909 3.760 -1.962 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.262 3.415 0.096 1.00 0.00 C ATOM 1355 CZ TYR A 88 -0.212 4.263 -0.883 1.00 0.00 C ATOM 1356 OH TYR A 88 0.010 5.617 -0.782 1.00 0.00 O ATOM 0 H TYR A 88 -1.656 -2.309 -1.274 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.738 -0.010 -0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.320 -0.477 -0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.550 -0.310 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.680 2.010 -2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.411 1.395 0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.278 4.426 -2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.806 3.811 0.940 1.00 0.00 H new ATOM 0 HH TYR A 88 0.514 5.806 0.037 1.00 0.00 H new ATOM 1366 N VAL A 89 -3.117 -0.217 -3.344 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.864 0.323 -4.474 1.00 0.00 C ATOM 1368 C VAL A 89 -5.353 0.024 -4.341 1.00 0.00 C ATOM 1369 O VAL A 89 -6.196 0.824 -4.747 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.353 -0.248 -5.810 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.994 0.339 -6.157 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.287 -1.767 -5.748 1.00 0.00 C ATOM 0 H VAL A 89 -2.529 -1.019 -3.572 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.711 1.402 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.054 0.031 -6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.649 -0.076 -7.104 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.077 1.422 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.280 0.092 -5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.924 -2.155 -6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.608 -2.069 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.281 -2.167 -5.549 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.669 -1.134 -3.771 1.00 0.00 N ATOM 1383 CA ASP A 90 -7.058 -1.539 -3.583 1.00 0.00 C ATOM 1384 C ASP A 90 -7.843 -0.461 -2.843 1.00 0.00 C ATOM 1385 O ASP A 90 -9.020 -0.232 -3.124 1.00 0.00 O ATOM 1386 CB ASP A 90 -7.126 -2.858 -2.812 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.491 -3.511 -2.902 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.503 -2.781 -2.839 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.549 -4.752 -3.033 1.00 0.00 O ATOM 0 H ASP A 90 -4.983 -1.808 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.507 -1.678 -4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.373 -3.543 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.881 -2.677 -1.765 1.00 0.00 H new ATOM 1394 N LEU A 91 -7.185 0.197 -1.895 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.822 1.251 -1.112 1.00 0.00 C ATOM 1396 C LEU A 91 -7.990 2.519 -1.942 1.00 0.00 C ATOM 1397 O LEU A 91 -9.109 2.981 -2.171 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.997 1.553 0.140 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.563 2.622 1.075 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.371 4.008 0.479 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -9.036 2.360 1.356 1.00 0.00 C ATOM 0 H LEU A 91 -6.211 0.020 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.810 0.901 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.881 0.629 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.000 1.863 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.020 2.576 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.780 4.756 1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.308 4.196 0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.888 4.067 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.422 3.131 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.594 2.378 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.149 1.383 1.827 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.872 3.078 -2.394 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.895 4.291 -3.201 1.00 0.00 C ATOM 1415 C VAL A 92 -7.937 4.193 -4.310 1.00 0.00 C ATOM 1416 O VAL A 92 -8.567 5.187 -4.674 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.518 4.573 -3.830 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.549 5.870 -4.626 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.442 4.623 -2.756 1.00 0.00 C ATOM 0 H VAL A 92 -5.938 2.709 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.156 5.111 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.278 3.760 -4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.567 6.052 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.291 5.792 -5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.811 6.696 -3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.475 4.823 -3.218 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.675 5.415 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.404 3.667 -2.235 1.00 0.00 H new ATOM 1429 N SER A 93 -8.115 2.989 -4.843 1.00 0.00 N ATOM 1430 CA SER A 93 -9.079 2.761 -5.913 1.00 0.00 C ATOM 1431 C SER A 93 -10.508 2.881 -5.391 1.00 0.00 C ATOM 1432 O SER A 93 -11.414 3.286 -6.120 1.00 0.00 O ATOM 1433 CB SER A 93 -8.866 1.380 -6.535 1.00 0.00 C ATOM 1434 OG SER A 93 -9.466 1.299 -7.816 1.00 0.00 O ATOM 0 H SER A 93 -7.604 2.156 -4.551 1.00 0.00 H new ATOM 0 HA SER A 93 -8.924 3.523 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.799 1.175 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.288 0.615 -5.883 1.00 0.00 H new ATOM 0 HG SER A 93 -9.314 0.407 -8.193 1.00 0.00 H new ATOM 1440 N SER A 94 -10.701 2.526 -4.125 1.00 0.00 N ATOM 1441 CA SER A 94 -12.019 2.590 -3.506 1.00 0.00 C ATOM 1442 C SER A 94 -12.476 4.037 -3.348 1.00 0.00 C ATOM 1443 O SER A 94 -13.664 4.342 -3.466 1.00 0.00 O ATOM 1444 CB SER A 94 -11.999 1.898 -2.141 1.00 0.00 C ATOM 1445 OG SER A 94 -11.645 0.532 -2.268 1.00 0.00 O ATOM 0 H SER A 94 -9.961 2.191 -3.508 1.00 0.00 H new ATOM 0 HA SER A 94 -12.724 2.074 -4.157 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.289 2.402 -1.485 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.980 1.981 -1.673 1.00 0.00 H new ATOM 0 HG SER A 94 -10.711 0.462 -2.556 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.525 4.925 -3.081 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.827 6.341 -2.907 1.00 0.00 C ATOM 1453 C LEU A 95 -12.221 6.982 -4.234 1.00 0.00 C ATOM 1454 O LEU A 95 -13.224 7.690 -4.320 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.621 7.072 -2.313 1.00 0.00 C ATOM 1456 CG LEU A 95 -10.149 6.583 -0.943 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.724 7.043 -0.675 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -11.084 7.075 0.151 1.00 0.00 C ATOM 0 H LEU A 95 -10.538 4.689 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.669 6.425 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.790 6.988 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.866 8.131 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.164 5.493 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.405 6.686 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.062 6.641 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.683 8.132 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.732 6.717 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.102 8.165 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.089 6.696 -0.032 1.00 0.00 H new ATOM 1470 N SER A 96 -11.425 6.726 -5.268 1.00 0.00 N ATOM 1471 CA SER A 96 -11.689 7.278 -6.591 1.00 0.00 C ATOM 1472 C SER A 96 -12.966 6.688 -7.181 1.00 0.00 C ATOM 1473 O SER A 96 -13.304 5.526 -6.957 1.00 0.00 O ATOM 1474 CB SER A 96 -10.508 7.007 -7.525 1.00 0.00 C ATOM 1475 OG SER A 96 -9.536 8.032 -7.430 1.00 0.00 O ATOM 0 H SER A 96 -10.592 6.140 -5.214 1.00 0.00 H new ATOM 0 HA SER A 96 -11.821 8.355 -6.489 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.055 6.048 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.863 6.933 -8.553 1.00 0.00 H new ATOM 0 HG SER A 96 -9.419 8.455 -8.307 1.00 0.00 H new ATOM 1481 N PRO A 97 -13.693 7.507 -7.955 1.00 0.00 N ATOM 1482 CA PRO A 97 -14.944 7.089 -8.594 1.00 0.00 C ATOM 1483 C PRO A 97 -14.714 6.078 -9.713 1.00 0.00 C ATOM 1484 O PRO A 97 -15.424 5.078 -9.814 1.00 0.00 O ATOM 1485 CB PRO A 97 -15.506 8.395 -9.162 1.00 0.00 C ATOM 1486 CG PRO A 97 -14.314 9.265 -9.362 1.00 0.00 C ATOM 1487 CD PRO A 97 -13.350 8.905 -8.265 1.00 0.00 C ATOM 0 HA PRO A 97 -15.613 6.590 -7.893 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.033 8.224 -10.101 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -16.218 8.851 -8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -13.869 9.098 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -14.587 10.319 -9.311 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -12.315 9.002 -8.592 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -13.471 9.551 -7.395 1.00 0.00 H new ATOM 1495 N SER A 98 -13.716 6.345 -10.549 1.00 0.00 N ATOM 1496 CA SER A 98 -13.394 5.460 -11.663 1.00 0.00 C ATOM 1497 C SER A 98 -11.974 5.708 -12.161 1.00 0.00 C ATOM 1498 O SER A 98 -11.444 6.813 -12.037 1.00 0.00 O ATOM 1499 CB SER A 98 -14.390 5.661 -12.806 1.00 0.00 C ATOM 1500 OG SER A 98 -15.569 4.903 -12.594 1.00 0.00 O ATOM 0 H SER A 98 -13.116 7.167 -10.476 1.00 0.00 H new ATOM 0 HA SER A 98 -13.461 4.431 -11.309 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.643 6.718 -12.890 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.930 5.367 -13.749 1.00 0.00 H new ATOM 0 HG SER A 98 -15.693 4.753 -11.634 1.00 0.00 H new ATOM 1506 N LEU A 99 -11.362 4.673 -12.725 1.00 0.00 N ATOM 1507 CA LEU A 99 -10.002 4.776 -13.243 1.00 0.00 C ATOM 1508 C LEU A 99 -9.900 4.155 -14.632 1.00 0.00 C ATOM 1509 O LEU A 99 -8.832 4.153 -15.244 1.00 0.00 O ATOM 1510 CB LEU A 99 -9.019 4.092 -12.292 1.00 0.00 C ATOM 1511 CG LEU A 99 -8.504 4.944 -11.131 1.00 0.00 C ATOM 1512 CD1 LEU A 99 -8.003 4.059 -10.000 1.00 0.00 C ATOM 1513 CD2 LEU A 99 -7.403 5.881 -11.606 1.00 0.00 C ATOM 0 H LEU A 99 -11.786 3.752 -12.835 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.748 5.833 -13.318 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.501 3.205 -11.880 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.162 3.749 -12.872 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.330 5.547 -10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.641 4.683 -9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.818 3.430 -9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.191 3.429 -10.363 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.048 6.480 -10.767 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.577 5.296 -12.010 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.795 6.539 -12.382 1.00 0.00 H new ATOM 1525 N GLU A 100 -11.018 3.630 -15.124 1.00 0.00 N ATOM 1526 CA GLU A 100 -11.053 3.007 -16.442 1.00 0.00 C ATOM 1527 C GLU A 100 -11.693 3.939 -17.467 1.00 0.00 C ATOM 1528 O GLU A 100 -12.881 4.253 -17.381 1.00 0.00 O ATOM 1529 CB GLU A 100 -11.824 1.687 -16.386 1.00 0.00 C ATOM 1530 CG GLU A 100 -13.268 1.843 -15.939 1.00 0.00 C ATOM 1531 CD GLU A 100 -13.909 0.521 -15.563 1.00 0.00 C ATOM 1532 OE1 GLU A 100 -13.502 -0.064 -14.537 1.00 0.00 O ATOM 1533 OE2 GLU A 100 -14.816 0.072 -16.294 1.00 0.00 O ATOM 0 H GLU A 100 -11.910 3.624 -14.630 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.026 2.807 -16.749 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.806 1.224 -17.372 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.313 1.006 -15.705 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.309 2.518 -15.084 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.844 2.307 -16.740 1.00 0.00 H new ATOM 1540 N SER A 101 -10.898 4.378 -18.437 1.00 0.00 N ATOM 1541 CA SER A 101 -11.384 5.277 -19.477 1.00 0.00 C ATOM 1542 C SER A 101 -11.723 4.505 -20.748 1.00 0.00 C ATOM 1543 O SER A 101 -12.770 4.720 -21.358 1.00 0.00 O ATOM 1544 CB SER A 101 -10.338 6.351 -19.782 1.00 0.00 C ATOM 1545 OG SER A 101 -10.105 7.172 -18.651 1.00 0.00 O ATOM 0 H SER A 101 -9.914 4.126 -18.525 1.00 0.00 H new ATOM 0 HA SER A 101 -12.292 5.758 -19.112 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.406 5.878 -20.090 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.675 6.965 -20.617 1.00 0.00 H new ATOM 0 HG SER A 101 -9.432 7.849 -18.871 1.00 0.00 H new ATOM 1551 N SER A 102 -10.828 3.604 -21.142 1.00 0.00 N ATOM 1552 CA SER A 102 -11.029 2.801 -22.342 1.00 0.00 C ATOM 1553 C SER A 102 -11.034 1.313 -22.006 1.00 0.00 C ATOM 1554 O SER A 102 -10.665 0.913 -20.902 1.00 0.00 O ATOM 1555 CB SER A 102 -9.936 3.100 -23.370 1.00 0.00 C ATOM 1556 OG SER A 102 -10.190 4.320 -24.045 1.00 0.00 O ATOM 0 H SER A 102 -9.957 3.412 -20.647 1.00 0.00 H new ATOM 0 HA SER A 102 -11.998 3.063 -22.766 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.968 3.151 -22.872 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.880 2.286 -24.093 1.00 0.00 H new ATOM 0 HG SER A 102 -9.476 4.489 -24.695 1.00 0.00 H new ATOM 1562 N SER A 103 -11.456 0.497 -22.967 1.00 0.00 N ATOM 1563 CA SER A 103 -11.513 -0.947 -22.774 1.00 0.00 C ATOM 1564 C SER A 103 -10.110 -1.540 -22.692 1.00 0.00 C ATOM 1565 O SER A 103 -9.261 -1.271 -23.541 1.00 0.00 O ATOM 1566 CB SER A 103 -12.292 -1.605 -23.914 1.00 0.00 C ATOM 1567 OG SER A 103 -13.688 -1.550 -23.677 1.00 0.00 O ATOM 0 H SER A 103 -11.763 0.812 -23.887 1.00 0.00 H new ATOM 0 HA SER A 103 -12.027 -1.143 -21.833 1.00 0.00 H new ATOM 0 HB2 SER A 103 -12.060 -1.104 -24.854 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.979 -2.644 -24.020 1.00 0.00 H new ATOM 0 HG SER A 103 -14.163 -1.976 -24.421 1.00 0.00 H new ATOM 1573 N GLN A 104 -9.875 -2.350 -21.664 1.00 0.00 N ATOM 1574 CA GLN A 104 -8.575 -2.981 -21.471 1.00 0.00 C ATOM 1575 C GLN A 104 -8.271 -3.958 -22.601 1.00 0.00 C ATOM 1576 O GLN A 104 -9.159 -4.336 -23.366 1.00 0.00 O ATOM 1577 CB GLN A 104 -8.532 -3.708 -20.126 1.00 0.00 C ATOM 1578 CG GLN A 104 -9.655 -4.717 -19.945 1.00 0.00 C ATOM 1579 CD GLN A 104 -9.343 -6.058 -20.580 1.00 0.00 C ATOM 1580 OE1 GLN A 104 -9.788 -6.350 -21.690 1.00 0.00 O ATOM 1581 NE2 GLN A 104 -8.574 -6.882 -19.878 1.00 0.00 N ATOM 0 H GLN A 104 -10.568 -2.584 -20.953 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.815 -2.199 -21.478 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -7.575 -4.221 -20.030 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.582 -2.973 -19.323 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -9.843 -4.858 -18.881 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -10.571 -4.317 -20.380 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.227 -6.599 -18.962 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.330 -7.798 -20.255 1.00 0.00 H new ATOM 1590 N VAL A 105 -7.009 -4.365 -22.702 1.00 0.00 N ATOM 1591 CA VAL A 105 -6.588 -5.300 -23.739 1.00 0.00 C ATOM 1592 C VAL A 105 -6.898 -6.739 -23.341 1.00 0.00 C ATOM 1593 O VAL A 105 -6.577 -7.168 -22.233 1.00 0.00 O ATOM 1594 CB VAL A 105 -5.081 -5.173 -24.031 1.00 0.00 C ATOM 1595 CG1 VAL A 105 -4.265 -5.595 -22.819 1.00 0.00 C ATOM 1596 CG2 VAL A 105 -4.704 -5.997 -25.252 1.00 0.00 C ATOM 0 H VAL A 105 -6.261 -4.062 -22.078 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.148 -5.047 -24.639 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.856 -4.128 -24.244 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.203 -5.499 -23.044 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.516 -4.957 -21.972 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.491 -6.632 -22.572 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.636 -5.896 -25.444 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.942 -7.045 -25.071 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.263 -5.642 -26.118 1.00 0.00 H new ATOM 1606 N GLU A 106 -7.522 -7.478 -24.252 1.00 0.00 N ATOM 1607 CA GLU A 106 -7.875 -8.869 -23.995 1.00 0.00 C ATOM 1608 C GLU A 106 -6.765 -9.579 -23.224 1.00 0.00 C ATOM 1609 O GLU A 106 -5.576 -9.357 -23.454 1.00 0.00 O ATOM 1610 CB GLU A 106 -8.147 -9.601 -25.310 1.00 0.00 C ATOM 1611 CG GLU A 106 -9.273 -8.990 -26.126 1.00 0.00 C ATOM 1612 CD GLU A 106 -10.631 -9.172 -25.476 1.00 0.00 C ATOM 1613 OE1 GLU A 106 -10.850 -10.229 -24.847 1.00 0.00 O ATOM 1614 OE2 GLU A 106 -11.473 -8.258 -25.596 1.00 0.00 O ATOM 0 H GLU A 106 -7.793 -7.137 -25.174 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.780 -8.881 -23.388 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.236 -9.605 -25.909 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.390 -10.641 -25.093 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -9.080 -7.926 -26.264 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.285 -9.443 -27.117 1.00 0.00 H new ATOM 1621 N PRO A 107 -7.162 -10.453 -22.288 1.00 0.00 N ATOM 1622 CA PRO A 107 -6.217 -11.213 -21.464 1.00 0.00 C ATOM 1623 C PRO A 107 -5.464 -12.267 -22.269 1.00 0.00 C ATOM 1624 O PRO A 107 -5.843 -12.591 -23.393 1.00 0.00 O ATOM 1625 CB PRO A 107 -7.114 -11.879 -20.418 1.00 0.00 C ATOM 1626 CG PRO A 107 -8.450 -11.973 -21.070 1.00 0.00 C ATOM 1627 CD PRO A 107 -8.563 -10.767 -21.960 1.00 0.00 C ATOM 0 HA PRO A 107 -5.443 -10.575 -21.037 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.737 -12.864 -20.143 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -7.161 -11.289 -19.503 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -8.538 -12.893 -21.647 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.247 -11.985 -20.326 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.147 -10.981 -22.855 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.053 -9.937 -21.451 1.00 0.00 H new ATOM 1635 N GLY A 108 -4.394 -12.799 -21.685 1.00 0.00 N ATOM 1636 CA GLY A 108 -3.606 -13.811 -22.362 1.00 0.00 C ATOM 1637 C GLY A 108 -2.693 -13.223 -23.420 1.00 0.00 C ATOM 1638 O GLY A 108 -2.839 -12.061 -23.801 1.00 0.00 O ATOM 0 H GLY A 108 -4.060 -12.547 -20.755 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.007 -14.351 -21.629 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.274 -14.537 -22.825 1.00 0.00 H new ATOM 1642 N THR A 109 -1.747 -14.027 -23.896 1.00 0.00 N ATOM 1643 CA THR A 109 -0.805 -13.579 -24.914 1.00 0.00 C ATOM 1644 C THR A 109 -0.214 -14.760 -25.674 1.00 0.00 C ATOM 1645 O THR A 109 0.049 -15.814 -25.095 1.00 0.00 O ATOM 1646 CB THR A 109 0.340 -12.755 -24.297 1.00 0.00 C ATOM 1647 OG1 THR A 109 -0.190 -11.614 -23.613 1.00 0.00 O ATOM 1648 CG2 THR A 109 1.319 -12.300 -25.369 1.00 0.00 C ATOM 0 H THR A 109 -1.613 -14.992 -23.593 1.00 0.00 H new ATOM 0 HA THR A 109 -1.364 -12.949 -25.606 1.00 0.00 H new ATOM 0 HB THR A 109 0.872 -13.389 -23.587 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.129 -11.489 -23.864 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.119 -11.720 -24.909 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.743 -13.171 -25.868 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.797 -11.682 -26.100 1.00 0.00 H new ATOM 1656 N ASP A 110 -0.006 -14.578 -26.974 1.00 0.00 N ATOM 1657 CA ASP A 110 0.557 -15.629 -27.813 1.00 0.00 C ATOM 1658 C ASP A 110 -0.382 -16.829 -27.884 1.00 0.00 C ATOM 1659 O ASP A 110 0.052 -17.977 -27.787 1.00 0.00 O ATOM 1660 CB ASP A 110 1.921 -16.065 -27.276 1.00 0.00 C ATOM 1661 CG ASP A 110 2.923 -14.927 -27.250 1.00 0.00 C ATOM 1662 OD1 ASP A 110 3.309 -14.452 -28.338 1.00 0.00 O ATOM 1663 OD2 ASP A 110 3.322 -14.512 -26.141 1.00 0.00 O ATOM 0 H ASP A 110 -0.219 -13.712 -27.469 1.00 0.00 H new ATOM 0 HA ASP A 110 0.683 -15.228 -28.819 1.00 0.00 H new ATOM 0 HB2 ASP A 110 1.801 -16.463 -26.268 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.310 -16.874 -27.894 1.00 0.00 H new ATOM 1668 N SER A 111 -1.672 -16.556 -28.053 1.00 0.00 N ATOM 1669 CA SER A 111 -2.674 -17.612 -28.132 1.00 0.00 C ATOM 1670 C SER A 111 -4.033 -17.044 -28.530 1.00 0.00 C ATOM 1671 O SER A 111 -4.235 -15.831 -28.531 1.00 0.00 O ATOM 1672 CB SER A 111 -2.785 -18.339 -26.790 1.00 0.00 C ATOM 1673 OG SER A 111 -3.243 -17.466 -25.773 1.00 0.00 O ATOM 0 H SER A 111 -2.048 -15.612 -28.138 1.00 0.00 H new ATOM 0 HA SER A 111 -2.359 -18.322 -28.897 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.469 -19.182 -26.885 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.813 -18.747 -26.513 1.00 0.00 H new ATOM 0 HG SER A 111 -3.307 -17.955 -24.926 1.00 0.00 H new ATOM 1679 N GLY A 112 -4.963 -17.933 -28.867 1.00 0.00 N ATOM 1680 CA GLY A 112 -6.291 -17.502 -29.263 1.00 0.00 C ATOM 1681 C GLY A 112 -6.802 -18.245 -30.481 1.00 0.00 C ATOM 1682 O GLY A 112 -7.377 -19.329 -30.378 1.00 0.00 O ATOM 0 H GLY A 112 -4.820 -18.943 -28.873 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.981 -17.653 -28.433 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.275 -16.433 -29.474 1.00 0.00 H new ATOM 1686 N PRO A 113 -6.596 -17.656 -31.668 1.00 0.00 N ATOM 1687 CA PRO A 113 -7.034 -18.251 -32.934 1.00 0.00 C ATOM 1688 C PRO A 113 -6.228 -19.493 -33.300 1.00 0.00 C ATOM 1689 O PRO A 113 -5.081 -19.394 -33.734 1.00 0.00 O ATOM 1690 CB PRO A 113 -6.790 -17.135 -33.954 1.00 0.00 C ATOM 1691 CG PRO A 113 -5.709 -16.304 -33.354 1.00 0.00 C ATOM 1692 CD PRO A 113 -5.918 -16.363 -31.866 1.00 0.00 C ATOM 0 HA PRO A 113 -8.070 -18.587 -32.890 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -6.488 -17.540 -34.920 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -7.693 -16.548 -34.123 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -4.726 -16.688 -33.625 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -5.761 -15.277 -33.715 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -4.973 -16.318 -31.325 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.527 -15.531 -31.512 1.00 0.00 H new ATOM 1700 N SER A 114 -6.837 -20.661 -33.123 1.00 0.00 N ATOM 1701 CA SER A 114 -6.175 -21.923 -33.432 1.00 0.00 C ATOM 1702 C SER A 114 -6.702 -22.508 -34.738 1.00 0.00 C ATOM 1703 O SER A 114 -7.907 -22.500 -34.993 1.00 0.00 O ATOM 1704 CB SER A 114 -6.380 -22.923 -32.292 1.00 0.00 C ATOM 1705 OG SER A 114 -7.744 -23.286 -32.172 1.00 0.00 O ATOM 0 H SER A 114 -7.788 -20.760 -32.767 1.00 0.00 H new ATOM 0 HA SER A 114 -5.109 -21.727 -33.547 1.00 0.00 H new ATOM 0 HB2 SER A 114 -5.778 -23.814 -32.472 1.00 0.00 H new ATOM 0 HB3 SER A 114 -6.032 -22.488 -31.355 1.00 0.00 H new ATOM 0 HG SER A 114 -7.849 -23.927 -31.438 1.00 0.00 H new ATOM 1711 N SER A 115 -5.791 -23.014 -35.563 1.00 0.00 N ATOM 1712 CA SER A 115 -6.163 -23.600 -36.846 1.00 0.00 C ATOM 1713 C SER A 115 -7.053 -24.823 -36.647 1.00 0.00 C ATOM 1714 O SER A 115 -6.709 -25.741 -35.903 1.00 0.00 O ATOM 1715 CB SER A 115 -4.911 -23.990 -37.634 1.00 0.00 C ATOM 1716 OG SER A 115 -4.445 -22.905 -38.419 1.00 0.00 O ATOM 0 H SER A 115 -4.790 -23.030 -35.366 1.00 0.00 H new ATOM 0 HA SER A 115 -6.722 -22.853 -37.410 1.00 0.00 H new ATOM 0 HB2 SER A 115 -4.128 -24.308 -36.945 1.00 0.00 H new ATOM 0 HB3 SER A 115 -5.133 -24.841 -38.278 1.00 0.00 H new ATOM 0 HG SER A 115 -3.643 -23.178 -38.912 1.00 0.00 H new ATOM 1722 N GLY A 116 -8.200 -24.828 -37.318 1.00 0.00 N ATOM 1723 CA GLY A 116 -9.123 -25.942 -37.202 1.00 0.00 C ATOM 1724 C GLY A 116 -9.719 -26.059 -35.814 1.00 0.00 C ATOM 1725 O GLY A 116 -10.758 -26.694 -35.628 1.00 0.00 O ATOM 0 H GLY A 116 -8.507 -24.080 -37.940 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.926 -25.822 -37.930 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.603 -26.868 -37.450 1.00 0.00 H new TER 1729 GLY A 116