USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 808 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 76 THR OG1 : rot 157:sc= -0.664 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.621 K(o=-1.3,f=-2.6) USER MOD Set 2.1: A 42 LYS NZ :NH3+ -132:sc= -2.12! (180deg=-1.93!) USER MOD Set 2.2: A 70 GLN : amide:sc= 1.2 K(o=-0.92,f=-13!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0937 (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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 20 GLN : amide:sc= -1.03 K(o=-1,f=-4!) USER MOD Single : A 26 ASN : amide:sc= -1.79 K(o=-1.8,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.927 K(o=-0.93,f=-2.5!) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.22) USER MOD Single : A 38 TYR OH : rot 124:sc= 0.413 USER MOD Single : A 41 MET CE :methyl 153:sc= -3.73! (180deg=-6.4!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.264 K(o=-0.26,f=-1.6) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -157:sc= 0.683 USER MOD Single : A 56 MET CE :methyl -170:sc= -1.86 (180deg=-1.87) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 157:sc= -0.283 (180deg=-1.29) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.00056) USER MOD Single : A 68 GLN :FLIP amide:sc= -3.99! C(o=-8.8!,f=-4!) USER MOD Single : A 74 HIS :FLIP no HD1:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 82 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.7) USER MOD Single : A 85 ASN : amide:sc=-0.00254 X(o=-0.0025,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -42:sc= -2.97! USER MOD Single : A 90 SER OG : rot 180:sc=-0.000633 USER MOD Single : A 95 SER OG : rot 77:sc= 0.536 USER MOD Single : A 97 THR OG1 : rot -100:sc= -2.1 USER MOD Single : A 98 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 100 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.7) USER MOD Single : A 102 THR OG1 : rot 65:sc= 0.0121 USER MOD Single : A 103 ASN : amide:sc=-0.000928 X(o=-0.00093,f=-0.018) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 50:sc= 0.484 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.904 5.879 0.270 1.00 0.00 N ATOM 2 CA GLY A 1 20.320 7.025 -0.406 1.00 0.00 C ATOM 3 C GLY A 1 20.119 6.739 -1.896 1.00 0.00 C ATOM 4 O GLY A 1 20.145 5.584 -2.319 1.00 0.00 O ATOM 0 H1 GLY A 1 20.309 5.614 1.081 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.963 5.079 -0.392 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.858 6.123 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.363 7.273 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.967 7.893 -0.283 1.00 0.00 H new ATOM 8 N SER A 2 19.923 7.810 -2.650 1.00 0.00 N ATOM 9 CA SER A 2 19.718 7.689 -4.084 1.00 0.00 C ATOM 10 C SER A 2 20.997 8.071 -4.830 1.00 0.00 C ATOM 11 O SER A 2 21.526 7.279 -5.609 1.00 0.00 O ATOM 12 CB SER A 2 18.551 8.562 -4.549 1.00 0.00 C ATOM 13 OG SER A 2 17.289 7.990 -4.216 1.00 0.00 O ATOM 0 H SER A 2 19.902 8.766 -2.295 1.00 0.00 H new ATOM 0 HA SER A 2 19.472 6.651 -4.308 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.633 9.549 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.611 8.703 -5.628 1.00 0.00 H new ATOM 0 HG SER A 2 16.570 8.579 -4.528 1.00 0.00 H new ATOM 19 N SER A 3 21.459 9.284 -4.566 1.00 0.00 N ATOM 20 CA SER A 3 22.666 9.781 -5.203 1.00 0.00 C ATOM 21 C SER A 3 22.531 9.690 -6.724 1.00 0.00 C ATOM 22 O SER A 3 22.613 8.604 -7.294 1.00 0.00 O ATOM 23 CB SER A 3 23.897 9.003 -4.732 1.00 0.00 C ATOM 24 OG SER A 3 25.000 9.864 -4.458 1.00 0.00 O ATOM 0 H SER A 3 21.019 9.938 -3.919 1.00 0.00 H new ATOM 0 HA SER A 3 22.798 10.825 -4.918 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.647 8.437 -3.834 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.183 8.279 -5.496 1.00 0.00 H new ATOM 0 HG SER A 3 25.765 9.330 -4.159 1.00 0.00 H new ATOM 30 N GLY A 4 22.325 10.846 -7.338 1.00 0.00 N ATOM 31 CA GLY A 4 22.178 10.911 -8.782 1.00 0.00 C ATOM 32 C GLY A 4 20.832 11.528 -9.168 1.00 0.00 C ATOM 33 O GLY A 4 19.780 11.034 -8.765 1.00 0.00 O ATOM 0 H GLY A 4 22.256 11.745 -6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.989 11.502 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.258 9.910 -9.205 1.00 0.00 H new ATOM 37 N SER A 5 20.909 12.599 -9.945 1.00 0.00 N ATOM 38 CA SER A 5 19.710 13.288 -10.391 1.00 0.00 C ATOM 39 C SER A 5 18.910 12.389 -11.335 1.00 0.00 C ATOM 40 O SER A 5 19.174 12.353 -12.536 1.00 0.00 O ATOM 41 CB SER A 5 20.059 14.608 -11.082 1.00 0.00 C ATOM 42 OG SER A 5 20.787 15.483 -10.226 1.00 0.00 O ATOM 0 H SER A 5 21.783 13.006 -10.277 1.00 0.00 H new ATOM 0 HA SER A 5 19.101 13.517 -9.516 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.647 14.404 -11.977 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.143 15.100 -11.408 1.00 0.00 H new ATOM 0 HG SER A 5 20.992 16.313 -10.705 1.00 0.00 H new ATOM 48 N SER A 6 17.948 11.685 -10.757 1.00 0.00 N ATOM 49 CA SER A 6 17.108 10.788 -11.532 1.00 0.00 C ATOM 50 C SER A 6 15.781 10.557 -10.806 1.00 0.00 C ATOM 51 O SER A 6 15.745 9.907 -9.763 1.00 0.00 O ATOM 52 CB SER A 6 17.813 9.455 -11.787 1.00 0.00 C ATOM 53 OG SER A 6 18.165 9.291 -13.158 1.00 0.00 O ATOM 0 H SER A 6 17.732 11.718 -9.761 1.00 0.00 H new ATOM 0 HA SER A 6 16.911 11.253 -12.498 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.711 9.397 -11.173 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.163 8.636 -11.479 1.00 0.00 H new ATOM 0 HG SER A 6 18.614 8.429 -13.279 1.00 0.00 H new ATOM 59 N GLY A 7 14.722 11.102 -11.387 1.00 0.00 N ATOM 60 CA GLY A 7 13.396 10.962 -10.809 1.00 0.00 C ATOM 61 C GLY A 7 12.378 11.825 -11.558 1.00 0.00 C ATOM 62 O GLY A 7 12.008 12.901 -11.091 1.00 0.00 O ATOM 0 H GLY A 7 14.755 11.641 -12.252 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.088 9.917 -10.844 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.421 11.252 -9.758 1.00 0.00 H new ATOM 66 N PRO A 8 11.943 11.306 -12.738 1.00 0.00 N ATOM 67 CA PRO A 8 10.975 12.016 -13.556 1.00 0.00 C ATOM 68 C PRO A 8 9.571 11.917 -12.955 1.00 0.00 C ATOM 69 O PRO A 8 9.376 11.267 -11.929 1.00 0.00 O ATOM 70 CB PRO A 8 11.079 11.378 -14.931 1.00 0.00 C ATOM 71 CG PRO A 8 11.759 10.036 -14.718 1.00 0.00 C ATOM 72 CD PRO A 8 12.360 10.035 -13.322 1.00 0.00 C ATOM 0 HA PRO A 8 11.176 13.086 -13.612 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.093 11.250 -15.377 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.657 12.005 -15.610 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.041 9.223 -14.825 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.534 9.878 -15.468 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.997 9.191 -12.735 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.446 9.954 -13.359 1.00 0.00 H new ATOM 80 N ASP A 9 8.630 12.570 -13.620 1.00 0.00 N ATOM 81 CA ASP A 9 7.250 12.564 -13.165 1.00 0.00 C ATOM 82 C ASP A 9 7.151 13.325 -11.841 1.00 0.00 C ATOM 83 O ASP A 9 8.139 13.454 -11.120 1.00 0.00 O ATOM 84 CB ASP A 9 6.756 11.136 -12.927 1.00 0.00 C ATOM 85 CG ASP A 9 7.106 10.137 -14.032 1.00 0.00 C ATOM 86 OD1 ASP A 9 8.245 9.626 -13.995 1.00 0.00 O ATOM 87 OD2 ASP A 9 6.225 9.909 -14.890 1.00 0.00 O ATOM 0 H ASP A 9 8.796 13.107 -14.471 1.00 0.00 H new ATOM 0 HA ASP A 9 6.638 13.034 -13.935 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.173 10.775 -11.987 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.673 11.158 -12.808 1.00 0.00 H new ATOM 92 N VAL A 10 5.950 13.809 -11.563 1.00 0.00 N ATOM 93 CA VAL A 10 5.709 14.554 -10.339 1.00 0.00 C ATOM 94 C VAL A 10 5.652 13.583 -9.158 1.00 0.00 C ATOM 95 O VAL A 10 4.638 12.923 -8.941 1.00 0.00 O ATOM 96 CB VAL A 10 4.439 15.397 -10.481 1.00 0.00 C ATOM 97 CG1 VAL A 10 3.273 14.550 -10.995 1.00 0.00 C ATOM 98 CG2 VAL A 10 4.082 16.077 -9.158 1.00 0.00 C ATOM 0 H VAL A 10 5.133 13.700 -12.164 1.00 0.00 H new ATOM 0 HA VAL A 10 6.526 15.250 -10.149 1.00 0.00 H new ATOM 0 HB VAL A 10 4.635 16.177 -11.216 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.383 15.173 -11.087 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.527 14.135 -11.970 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.077 13.738 -10.295 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.176 16.670 -9.286 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.914 15.319 -8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.901 16.728 -8.851 1.00 0.00 H new ATOM 108 N ARG A 11 6.755 13.527 -8.427 1.00 0.00 N ATOM 109 CA ARG A 11 6.844 12.647 -7.274 1.00 0.00 C ATOM 110 C ARG A 11 5.740 12.978 -6.267 1.00 0.00 C ATOM 111 O ARG A 11 5.959 13.743 -5.329 1.00 0.00 O ATOM 112 CB ARG A 11 8.206 12.775 -6.587 1.00 0.00 C ATOM 113 CG ARG A 11 8.763 11.400 -6.213 1.00 0.00 C ATOM 114 CD ARG A 11 10.251 11.299 -6.555 1.00 0.00 C ATOM 115 NE ARG A 11 11.062 11.876 -5.459 1.00 0.00 N ATOM 116 CZ ARG A 11 12.363 12.177 -5.566 1.00 0.00 C ATOM 117 NH1 ARG A 11 13.008 11.959 -6.720 1.00 0.00 N ATOM 118 NH2 ARG A 11 13.019 12.697 -4.519 1.00 0.00 N ATOM 0 H ARG A 11 7.595 14.076 -8.610 1.00 0.00 H new ATOM 0 HA ARG A 11 6.723 11.623 -7.628 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.905 13.286 -7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.109 13.388 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.618 11.223 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.211 10.624 -6.743 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.527 10.256 -6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.455 11.827 -7.487 1.00 0.00 H new ATOM 0 HE ARG A 11 10.601 12.056 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.508 11.564 -7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.999 12.188 -6.802 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.528 12.863 -3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.010 12.926 -4.601 1.00 0.00 H new ATOM 132 N ARG A 12 4.578 12.384 -6.496 1.00 0.00 N ATOM 133 CA ARG A 12 3.439 12.606 -5.621 1.00 0.00 C ATOM 134 C ARG A 12 3.392 14.068 -5.172 1.00 0.00 C ATOM 135 O ARG A 12 3.887 14.408 -4.099 1.00 0.00 O ATOM 136 CB ARG A 12 3.508 11.703 -4.389 1.00 0.00 C ATOM 137 CG ARG A 12 4.264 10.409 -4.698 1.00 0.00 C ATOM 138 CD ARG A 12 3.660 9.226 -3.939 1.00 0.00 C ATOM 139 NE ARG A 12 3.743 8.000 -4.763 1.00 0.00 N ATOM 140 CZ ARG A 12 3.029 7.795 -5.879 1.00 0.00 C ATOM 141 NH1 ARG A 12 2.175 8.734 -6.309 1.00 0.00 N ATOM 142 NH2 ARG A 12 3.169 6.652 -6.563 1.00 0.00 N ATOM 0 H ARG A 12 4.401 11.749 -7.275 1.00 0.00 H new ATOM 0 HA ARG A 12 2.536 12.366 -6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.003 12.231 -3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.499 11.467 -4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.232 10.212 -5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.313 10.523 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.190 9.078 -2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.620 9.436 -3.689 1.00 0.00 H new ATOM 0 HE ARG A 12 4.383 7.265 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.069 9.604 -5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.631 8.579 -7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.819 5.938 -6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.626 6.496 -7.412 1.00 0.00 H new ATOM 156 N ASP A 13 2.791 14.894 -6.016 1.00 0.00 N ATOM 157 CA ASP A 13 2.673 16.311 -5.720 1.00 0.00 C ATOM 158 C ASP A 13 1.309 16.815 -6.195 1.00 0.00 C ATOM 159 O ASP A 13 0.602 17.498 -5.454 1.00 0.00 O ATOM 160 CB ASP A 13 3.753 17.118 -6.443 1.00 0.00 C ATOM 161 CG ASP A 13 4.341 18.279 -5.639 1.00 0.00 C ATOM 162 OD1 ASP A 13 3.564 18.891 -4.875 1.00 0.00 O ATOM 163 OD2 ASP A 13 5.554 18.528 -5.806 1.00 0.00 O ATOM 0 H ASP A 13 2.381 14.608 -6.905 1.00 0.00 H new ATOM 0 HA ASP A 13 2.787 16.440 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.562 16.444 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.332 17.513 -7.368 1.00 0.00 H new ATOM 168 N LYS A 14 0.979 16.460 -7.428 1.00 0.00 N ATOM 169 CA LYS A 14 -0.288 16.868 -8.011 1.00 0.00 C ATOM 170 C LYS A 14 -1.382 15.891 -7.577 1.00 0.00 C ATOM 171 O LYS A 14 -1.088 14.817 -7.053 1.00 0.00 O ATOM 172 CB LYS A 14 -0.158 17.010 -9.529 1.00 0.00 C ATOM 173 CG LYS A 14 0.038 18.474 -9.928 1.00 0.00 C ATOM 174 CD LYS A 14 -0.518 18.740 -11.328 1.00 0.00 C ATOM 175 CE LYS A 14 0.016 20.060 -11.888 1.00 0.00 C ATOM 176 NZ LYS A 14 0.329 19.924 -13.328 1.00 0.00 N ATOM 0 H LYS A 14 1.567 15.894 -8.040 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.576 17.853 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.686 16.417 -9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.051 16.614 -10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.460 19.121 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.099 18.723 -9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.244 17.921 -11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.607 18.770 -11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.723 20.848 -11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.911 20.358 -11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.690 20.829 -13.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.050 19.186 -13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.533 19.661 -13.847 1.00 0.00 H new ATOM 190 N PRO A 15 -2.654 16.309 -7.816 1.00 0.00 N ATOM 191 CA PRO A 15 -3.793 15.483 -7.455 1.00 0.00 C ATOM 192 C PRO A 15 -3.956 14.316 -8.432 1.00 0.00 C ATOM 193 O PRO A 15 -3.746 14.474 -9.633 1.00 0.00 O ATOM 194 CB PRO A 15 -4.982 16.430 -7.458 1.00 0.00 C ATOM 195 CG PRO A 15 -4.548 17.641 -8.267 1.00 0.00 C ATOM 196 CD PRO A 15 -3.039 17.574 -8.434 1.00 0.00 C ATOM 0 HA PRO A 15 -3.678 15.012 -6.479 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.857 15.957 -7.903 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.256 16.716 -6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.040 17.646 -9.240 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.835 18.562 -7.760 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.755 17.603 -9.486 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.549 18.418 -7.948 1.00 0.00 H new ATOM 204 N VAL A 16 -4.330 13.171 -7.879 1.00 0.00 N ATOM 205 CA VAL A 16 -4.523 11.979 -8.686 1.00 0.00 C ATOM 206 C VAL A 16 -5.478 12.297 -9.839 1.00 0.00 C ATOM 207 O VAL A 16 -6.247 13.255 -9.766 1.00 0.00 O ATOM 208 CB VAL A 16 -5.011 10.825 -7.807 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.847 10.187 -7.046 1.00 0.00 C ATOM 210 CG2 VAL A 16 -6.105 11.293 -6.846 1.00 0.00 C ATOM 0 H VAL A 16 -4.504 13.044 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.578 11.659 -9.125 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.442 10.065 -8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.220 9.370 -6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.116 9.801 -7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.374 10.935 -6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.434 10.454 -6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.712 12.080 -6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.950 11.679 -7.417 1.00 0.00 H new ATOM 220 N THR A 17 -5.398 11.476 -10.876 1.00 0.00 N ATOM 221 CA THR A 17 -6.246 11.659 -12.042 1.00 0.00 C ATOM 222 C THR A 17 -7.041 10.383 -12.327 1.00 0.00 C ATOM 223 O THR A 17 -6.690 9.307 -11.846 1.00 0.00 O ATOM 224 CB THR A 17 -5.357 12.094 -13.208 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.250 12.167 -14.316 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.350 11.016 -13.612 1.00 0.00 C ATOM 0 H THR A 17 -4.759 10.683 -10.933 1.00 0.00 H new ATOM 0 HA THR A 17 -6.990 12.438 -11.873 1.00 0.00 H new ATOM 0 HB THR A 17 -4.823 13.005 -12.937 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.757 12.444 -15.116 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.745 11.377 -14.444 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.703 10.787 -12.765 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.883 10.115 -13.916 1.00 0.00 H new ATOM 234 N GLY A 18 -8.098 10.547 -13.109 1.00 0.00 N ATOM 235 CA GLY A 18 -8.947 9.422 -13.464 1.00 0.00 C ATOM 236 C GLY A 18 -8.109 8.185 -13.793 1.00 0.00 C ATOM 237 O GLY A 18 -8.550 7.057 -13.579 1.00 0.00 O ATOM 0 H GLY A 18 -8.386 11.441 -13.507 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.624 9.198 -12.639 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.566 9.685 -14.322 1.00 0.00 H new ATOM 241 N GLU A 19 -6.914 8.439 -14.308 1.00 0.00 N ATOM 242 CA GLU A 19 -6.010 7.360 -14.668 1.00 0.00 C ATOM 243 C GLU A 19 -5.505 6.649 -13.412 1.00 0.00 C ATOM 244 O GLU A 19 -5.508 5.420 -13.345 1.00 0.00 O ATOM 245 CB GLU A 19 -4.844 7.880 -15.511 1.00 0.00 C ATOM 246 CG GLU A 19 -4.015 6.723 -16.072 1.00 0.00 C ATOM 247 CD GLU A 19 -3.957 6.782 -17.600 1.00 0.00 C ATOM 248 OE1 GLU A 19 -3.180 7.619 -18.108 1.00 0.00 O ATOM 249 OE2 GLU A 19 -4.691 5.987 -18.226 1.00 0.00 O ATOM 0 H GLU A 19 -6.552 9.376 -14.484 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.559 6.639 -15.273 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.226 8.489 -16.330 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.210 8.525 -14.903 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.005 6.763 -15.664 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.449 5.774 -15.757 1.00 0.00 H new ATOM 256 N GLN A 20 -5.083 7.451 -12.446 1.00 0.00 N ATOM 257 CA GLN A 20 -4.575 6.914 -11.195 1.00 0.00 C ATOM 258 C GLN A 20 -5.720 6.330 -10.364 1.00 0.00 C ATOM 259 O GLN A 20 -5.608 5.225 -9.837 1.00 0.00 O ATOM 260 CB GLN A 20 -3.817 7.983 -10.406 1.00 0.00 C ATOM 261 CG GLN A 20 -2.482 8.315 -11.077 1.00 0.00 C ATOM 262 CD GLN A 20 -1.461 8.812 -10.051 1.00 0.00 C ATOM 263 OE1 GLN A 20 -1.577 8.579 -8.859 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.459 9.509 -10.579 1.00 0.00 N ATOM 0 H GLN A 20 -5.082 8.469 -12.504 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.873 6.113 -11.426 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.425 8.885 -10.331 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.640 7.633 -9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.095 7.430 -11.582 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.635 9.077 -11.842 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.423 9.667 -11.586 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.273 9.885 -9.977 1.00 0.00 H new ATOM 273 N ILE A 21 -6.796 7.099 -10.274 1.00 0.00 N ATOM 274 CA ILE A 21 -7.960 6.672 -9.517 1.00 0.00 C ATOM 275 C ILE A 21 -8.233 5.193 -9.802 1.00 0.00 C ATOM 276 O ILE A 21 -8.041 4.344 -8.933 1.00 0.00 O ATOM 277 CB ILE A 21 -9.153 7.585 -9.808 1.00 0.00 C ATOM 278 CG1 ILE A 21 -8.946 8.969 -9.191 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.461 6.941 -9.347 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.285 9.678 -8.973 1.00 0.00 C ATOM 0 H ILE A 21 -6.886 8.015 -10.713 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.773 6.762 -8.447 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.225 7.721 -10.887 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.422 8.872 -8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.314 9.571 -9.843 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.293 7.610 -9.565 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.607 5.997 -9.873 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.417 6.755 -8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.109 10.660 -8.533 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.795 9.795 -9.929 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -10.905 9.085 -8.301 1.00 0.00 H new ATOM 292 N GLU A 22 -8.679 4.931 -11.022 1.00 0.00 N ATOM 293 CA GLU A 22 -8.981 3.570 -11.432 1.00 0.00 C ATOM 294 C GLU A 22 -7.939 2.602 -10.867 1.00 0.00 C ATOM 295 O GLU A 22 -8.289 1.554 -10.327 1.00 0.00 O ATOM 296 CB GLU A 22 -9.061 3.461 -12.956 1.00 0.00 C ATOM 297 CG GLU A 22 -7.810 4.048 -13.614 1.00 0.00 C ATOM 298 CD GLU A 22 -7.921 4.003 -15.139 1.00 0.00 C ATOM 299 OE1 GLU A 22 -8.528 4.946 -15.692 1.00 0.00 O ATOM 300 OE2 GLU A 22 -7.397 3.027 -15.718 1.00 0.00 O ATOM 0 H GLU A 22 -8.838 5.638 -11.740 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.957 3.298 -11.030 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.171 2.416 -13.244 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.946 3.986 -13.316 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.672 5.078 -13.286 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.930 3.490 -13.293 1.00 0.00 H new ATOM 307 N VAL A 23 -6.680 2.988 -11.011 1.00 0.00 N ATOM 308 CA VAL A 23 -5.585 2.167 -10.522 1.00 0.00 C ATOM 309 C VAL A 23 -5.688 2.041 -9.001 1.00 0.00 C ATOM 310 O VAL A 23 -5.721 0.933 -8.467 1.00 0.00 O ATOM 311 CB VAL A 23 -4.247 2.750 -10.984 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.116 2.341 -10.039 1.00 0.00 C ATOM 313 CG2 VAL A 23 -3.937 2.334 -12.424 1.00 0.00 C ATOM 0 H VAL A 23 -6.394 3.858 -11.459 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.647 1.161 -10.937 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.327 3.837 -10.959 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.176 2.768 -10.390 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.330 2.709 -9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.035 1.254 -10.018 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.981 2.761 -12.728 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.885 1.247 -12.485 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.724 2.697 -13.085 1.00 0.00 H new ATOM 323 N PHE A 24 -5.735 3.191 -8.345 1.00 0.00 N ATOM 324 CA PHE A 24 -5.834 3.223 -6.896 1.00 0.00 C ATOM 325 C PHE A 24 -6.989 2.347 -6.406 1.00 0.00 C ATOM 326 O PHE A 24 -6.797 1.483 -5.552 1.00 0.00 O ATOM 327 CB PHE A 24 -6.106 4.675 -6.498 1.00 0.00 C ATOM 328 CG PHE A 24 -5.269 5.163 -5.314 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.649 4.863 -4.043 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.146 5.898 -5.532 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.872 5.316 -2.944 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.369 6.351 -4.433 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.748 6.051 -3.162 1.00 0.00 C ATOM 0 H PHE A 24 -5.706 4.108 -8.791 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.913 2.845 -6.452 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -5.913 5.319 -7.356 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.162 4.782 -6.251 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.542 4.280 -3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.845 6.137 -6.541 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.173 5.077 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.477 6.934 -4.607 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.157 6.396 -2.326 1.00 0.00 H new ATOM 343 N ALA A 25 -8.162 2.602 -6.966 1.00 0.00 N ATOM 344 CA ALA A 25 -9.347 1.848 -6.597 1.00 0.00 C ATOM 345 C ALA A 25 -8.974 0.374 -6.420 1.00 0.00 C ATOM 346 O ALA A 25 -9.054 -0.162 -5.316 1.00 0.00 O ATOM 347 CB ALA A 25 -10.433 2.052 -7.655 1.00 0.00 C ATOM 0 H ALA A 25 -8.317 3.321 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.747 2.203 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.322 1.486 -7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.683 3.111 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.069 1.705 -8.622 1.00 0.00 H new ATOM 353 N ASN A 26 -8.576 -0.239 -7.525 1.00 0.00 N ATOM 354 CA ASN A 26 -8.191 -1.640 -7.506 1.00 0.00 C ATOM 355 C ASN A 26 -7.390 -1.927 -6.235 1.00 0.00 C ATOM 356 O ASN A 26 -7.638 -2.920 -5.552 1.00 0.00 O ATOM 357 CB ASN A 26 -7.309 -1.985 -8.708 1.00 0.00 C ATOM 358 CG ASN A 26 -7.987 -1.581 -10.019 1.00 0.00 C ATOM 359 OD1 ASN A 26 -9.134 -1.904 -10.280 1.00 0.00 O ATOM 360 ND2 ASN A 26 -7.216 -0.860 -10.827 1.00 0.00 N ATOM 0 H ASN A 26 -8.512 0.209 -8.439 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.100 -2.240 -7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.350 -1.475 -8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.102 -3.055 -8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.577 -0.543 -11.727 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.264 -0.624 -10.547 1.00 0.00 H new ATOM 367 N LYS A 27 -6.446 -1.040 -5.955 1.00 0.00 N ATOM 368 CA LYS A 27 -5.608 -1.186 -4.777 1.00 0.00 C ATOM 369 C LYS A 27 -6.482 -1.123 -3.523 1.00 0.00 C ATOM 370 O LYS A 27 -6.397 -1.995 -2.659 1.00 0.00 O ATOM 371 CB LYS A 27 -4.479 -0.153 -4.792 1.00 0.00 C ATOM 372 CG LYS A 27 -3.684 -0.228 -6.098 1.00 0.00 C ATOM 373 CD LYS A 27 -2.928 1.077 -6.355 1.00 0.00 C ATOM 374 CE LYS A 27 -1.416 0.852 -6.313 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.901 0.534 -7.664 1.00 0.00 N ATOM 0 H LYS A 27 -6.243 -0.218 -6.524 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.119 -2.160 -4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.895 0.847 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.813 -0.325 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.979 -1.058 -6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.360 -0.430 -6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.212 1.481 -7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.210 1.818 -5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.920 1.744 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.183 0.037 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.127 0.384 -7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.361 -0.330 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.107 1.324 -8.309 1.00 0.00 H new ATOM 389 N LEU A 28 -7.302 -0.084 -3.464 1.00 0.00 N ATOM 390 CA LEU A 28 -8.190 0.103 -2.329 1.00 0.00 C ATOM 391 C LEU A 28 -9.059 -1.144 -2.156 1.00 0.00 C ATOM 392 O LEU A 28 -8.977 -1.825 -1.134 1.00 0.00 O ATOM 393 CB LEU A 28 -8.995 1.395 -2.487 1.00 0.00 C ATOM 394 CG LEU A 28 -9.681 1.916 -1.223 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.716 1.915 -0.035 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.294 3.298 -1.462 1.00 0.00 C ATOM 0 H LEU A 28 -7.370 0.636 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.615 0.222 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.328 2.172 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.757 1.234 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.499 1.239 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.229 2.290 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.368 0.899 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.863 2.556 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.775 3.646 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.510 3.999 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.034 3.235 -2.260 1.00 0.00 H new ATOM 408 N GLY A 29 -9.871 -1.407 -3.169 1.00 0.00 N ATOM 409 CA GLY A 29 -10.753 -2.561 -3.141 1.00 0.00 C ATOM 410 C GLY A 29 -11.894 -2.355 -2.143 1.00 0.00 C ATOM 411 O GLY A 29 -12.797 -1.554 -2.382 1.00 0.00 O ATOM 0 H GLY A 29 -9.937 -0.840 -4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.162 -2.734 -4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.185 -3.451 -2.871 1.00 0.00 H new ATOM 415 N GLU A 30 -11.816 -3.091 -1.044 1.00 0.00 N ATOM 416 CA GLU A 30 -12.831 -2.999 -0.008 1.00 0.00 C ATOM 417 C GLU A 30 -12.317 -2.163 1.166 1.00 0.00 C ATOM 418 O GLU A 30 -13.011 -2.000 2.167 1.00 0.00 O ATOM 419 CB GLU A 30 -13.265 -4.390 0.459 1.00 0.00 C ATOM 420 CG GLU A 30 -12.116 -5.116 1.161 1.00 0.00 C ATOM 421 CD GLU A 30 -12.646 -6.070 2.234 1.00 0.00 C ATOM 422 OE1 GLU A 30 -13.311 -5.565 3.164 1.00 0.00 O ATOM 423 OE2 GLU A 30 -12.372 -7.283 2.100 1.00 0.00 O ATOM 0 H GLU A 30 -11.066 -3.754 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.706 -2.502 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.113 -4.301 1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.602 -4.976 -0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.532 -5.674 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.445 -4.388 1.616 1.00 0.00 H new ATOM 430 N GLN A 31 -11.104 -1.655 1.002 1.00 0.00 N ATOM 431 CA GLN A 31 -10.489 -0.839 2.036 1.00 0.00 C ATOM 432 C GLN A 31 -10.943 0.616 1.904 1.00 0.00 C ATOM 433 O GLN A 31 -10.425 1.496 2.589 1.00 0.00 O ATOM 434 CB GLN A 31 -8.964 -0.944 1.982 1.00 0.00 C ATOM 435 CG GLN A 31 -8.467 -2.134 2.806 1.00 0.00 C ATOM 436 CD GLN A 31 -7.728 -3.142 1.923 1.00 0.00 C ATOM 437 OE1 GLN A 31 -7.576 -2.963 0.726 1.00 0.00 O ATOM 438 NE2 GLN A 31 -7.279 -4.208 2.579 1.00 0.00 N ATOM 0 H GLN A 31 -10.531 -1.792 0.169 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.812 -1.213 3.007 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.640 -1.053 0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.519 -0.024 2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.804 -1.782 3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.311 -2.622 3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.441 -4.295 3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.773 -4.939 2.079 1.00 0.00 H new ATOM 447 N TRP A 32 -11.905 0.824 1.017 1.00 0.00 N ATOM 448 CA TRP A 32 -12.435 2.158 0.786 1.00 0.00 C ATOM 449 C TRP A 32 -13.174 2.598 2.052 1.00 0.00 C ATOM 450 O TRP A 32 -13.052 3.746 2.478 1.00 0.00 O ATOM 451 CB TRP A 32 -13.318 2.188 -0.463 1.00 0.00 C ATOM 452 CG TRP A 32 -14.626 1.409 -0.319 1.00 0.00 C ATOM 453 CD1 TRP A 32 -14.840 0.106 -0.551 1.00 0.00 C ATOM 454 CD2 TRP A 32 -15.901 1.939 0.100 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.154 -0.241 -0.312 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.820 0.909 0.096 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.266 3.245 0.471 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.163 1.079 0.454 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.612 3.398 0.825 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.550 2.372 0.827 1.00 0.00 C ATOM 0 H TRP A 32 -12.331 0.091 0.450 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.629 2.865 0.589 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.550 3.225 -0.707 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.755 1.781 -1.303 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.080 -0.585 -0.883 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.562 -1.170 -0.416 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.564 4.065 0.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -18.863 0.257 0.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -17.945 4.383 1.117 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.572 2.571 1.115 1.00 0.00 H new ATOM 471 N LYS A 33 -13.924 1.663 2.616 1.00 0.00 N ATOM 472 CA LYS A 33 -14.682 1.941 3.824 1.00 0.00 C ATOM 473 C LYS A 33 -13.715 2.218 4.977 1.00 0.00 C ATOM 474 O LYS A 33 -14.129 2.663 6.046 1.00 0.00 O ATOM 475 CB LYS A 33 -15.670 0.808 4.109 1.00 0.00 C ATOM 476 CG LYS A 33 -16.960 1.347 4.731 1.00 0.00 C ATOM 477 CD LYS A 33 -18.190 0.714 4.078 1.00 0.00 C ATOM 478 CE LYS A 33 -19.415 0.832 4.987 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.651 0.931 4.180 1.00 0.00 N ATOM 0 H LYS A 33 -14.023 0.713 2.259 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.288 2.837 3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.901 0.281 3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.213 0.083 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.966 1.141 5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.999 2.430 4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.392 1.202 3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.992 -0.336 3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.472 -0.035 5.645 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.319 1.711 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.436 1.245 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.510 1.618 3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.877 0.000 3.775 1.00 0.00 H new ATOM 493 N ILE A 34 -12.444 1.943 4.720 1.00 0.00 N ATOM 494 CA ILE A 34 -11.415 2.157 5.722 1.00 0.00 C ATOM 495 C ILE A 34 -10.806 3.548 5.533 1.00 0.00 C ATOM 496 O ILE A 34 -10.303 4.144 6.484 1.00 0.00 O ATOM 497 CB ILE A 34 -10.386 1.025 5.683 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.060 -0.335 5.875 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.272 1.261 6.705 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.024 -1.460 5.914 1.00 0.00 C ATOM 0 H ILE A 34 -12.104 1.574 3.832 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.846 2.131 6.723 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.922 1.019 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.634 -0.333 6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.765 -0.513 5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.554 0.442 6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.766 2.200 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.701 1.309 7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.530 -2.416 6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.468 -1.475 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.335 -1.292 6.742 1.00 0.00 H new ATOM 512 N LEU A 35 -10.872 4.025 4.298 1.00 0.00 N ATOM 513 CA LEU A 35 -10.333 5.334 3.973 1.00 0.00 C ATOM 514 C LEU A 35 -11.457 6.371 4.027 1.00 0.00 C ATOM 515 O LEU A 35 -11.197 7.573 4.047 1.00 0.00 O ATOM 516 CB LEU A 35 -9.599 5.293 2.631 1.00 0.00 C ATOM 517 CG LEU A 35 -8.072 5.231 2.703 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.441 5.744 1.408 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.551 5.980 3.931 1.00 0.00 C ATOM 0 H LEU A 35 -11.290 3.528 3.511 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.587 5.632 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.952 4.426 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.880 6.177 2.058 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.777 4.188 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.355 5.689 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.776 5.130 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.741 6.779 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.463 5.921 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.856 7.025 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.962 5.529 4.834 1.00 0.00 H new ATOM 531 N ALA A 36 -12.683 5.868 4.050 1.00 0.00 N ATOM 532 CA ALA A 36 -13.847 6.735 4.102 1.00 0.00 C ATOM 533 C ALA A 36 -13.821 7.540 5.403 1.00 0.00 C ATOM 534 O ALA A 36 -13.961 8.762 5.384 1.00 0.00 O ATOM 535 CB ALA A 36 -15.117 5.894 3.962 1.00 0.00 C ATOM 0 H ALA A 36 -12.895 4.870 4.034 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.833 7.445 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.991 6.545 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.100 5.366 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.166 5.171 4.776 1.00 0.00 H new ATOM 541 N PRO A 37 -13.635 6.803 6.531 1.00 0.00 N ATOM 542 CA PRO A 37 -13.589 7.435 7.838 1.00 0.00 C ATOM 543 C PRO A 37 -12.257 8.159 8.050 1.00 0.00 C ATOM 544 O PRO A 37 -12.036 8.764 9.098 1.00 0.00 O ATOM 545 CB PRO A 37 -13.815 6.305 8.830 1.00 0.00 C ATOM 546 CG PRO A 37 -13.517 5.021 8.073 1.00 0.00 C ATOM 547 CD PRO A 37 -13.466 5.354 6.591 1.00 0.00 C ATOM 0 HA PRO A 37 -14.347 8.210 7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.161 6.409 9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.840 6.311 9.202 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.569 4.596 8.401 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.286 4.274 8.270 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.518 5.047 6.149 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.255 4.840 6.042 1.00 0.00 H new ATOM 555 N TYR A 38 -11.405 8.072 7.039 1.00 0.00 N ATOM 556 CA TYR A 38 -10.102 8.711 7.102 1.00 0.00 C ATOM 557 C TYR A 38 -9.955 9.766 6.003 1.00 0.00 C ATOM 558 O TYR A 38 -8.935 10.449 5.927 1.00 0.00 O ATOM 559 CB TYR A 38 -9.076 7.600 6.866 1.00 0.00 C ATOM 560 CG TYR A 38 -8.630 6.884 8.143 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.392 5.856 8.659 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.465 7.266 8.777 1.00 0.00 C ATOM 563 CE1 TYR A 38 -8.972 5.182 9.861 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.046 6.592 9.978 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.820 5.584 10.461 1.00 0.00 C ATOM 566 OH TYR A 38 -7.423 4.947 11.596 1.00 0.00 O ATOM 0 H TYR A 38 -11.592 7.569 6.172 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.965 9.210 8.061 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.501 6.867 6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.201 8.026 6.376 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.303 5.557 8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.868 8.070 8.372 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.559 4.376 10.276 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.137 6.881 10.484 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.515 4.600 11.475 1.00 0.00 H new ATOM 576 N LEU A 39 -10.989 9.865 5.181 1.00 0.00 N ATOM 577 CA LEU A 39 -10.987 10.825 4.090 1.00 0.00 C ATOM 578 C LEU A 39 -11.903 11.998 4.447 1.00 0.00 C ATOM 579 O LEU A 39 -12.041 12.941 3.671 1.00 0.00 O ATOM 580 CB LEU A 39 -11.353 10.139 2.772 1.00 0.00 C ATOM 581 CG LEU A 39 -10.179 9.650 1.922 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.123 8.963 2.790 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.663 8.747 0.786 1.00 0.00 C ATOM 0 H LEU A 39 -11.833 9.297 5.248 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.987 11.233 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.994 9.286 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.943 10.834 2.175 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.704 10.518 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.299 8.625 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.748 9.668 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.569 8.107 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.809 8.413 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.177 7.881 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.349 9.303 0.147 1.00 0.00 H new ATOM 595 N GLU A 40 -12.505 11.900 5.624 1.00 0.00 N ATOM 596 CA GLU A 40 -13.403 12.941 6.094 1.00 0.00 C ATOM 597 C GLU A 40 -14.619 13.048 5.172 1.00 0.00 C ATOM 598 O GLU A 40 -14.950 14.134 4.699 1.00 0.00 O ATOM 599 CB GLU A 40 -12.677 14.283 6.202 1.00 0.00 C ATOM 600 CG GLU A 40 -11.338 14.126 6.925 1.00 0.00 C ATOM 601 CD GLU A 40 -10.680 15.487 7.164 1.00 0.00 C ATOM 602 OE1 GLU A 40 -10.039 15.982 6.213 1.00 0.00 O ATOM 603 OE2 GLU A 40 -10.834 16.001 8.293 1.00 0.00 O ATOM 0 H GLU A 40 -12.388 11.116 6.266 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.750 12.672 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.510 14.691 5.205 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.302 14.997 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.493 13.621 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.673 13.496 6.334 1.00 0.00 H new ATOM 610 N MET A 41 -15.252 11.906 4.945 1.00 0.00 N ATOM 611 CA MET A 41 -16.425 11.858 4.089 1.00 0.00 C ATOM 612 C MET A 41 -17.710 11.955 4.913 1.00 0.00 C ATOM 613 O MET A 41 -17.661 12.169 6.123 1.00 0.00 O ATOM 614 CB MET A 41 -16.425 10.550 3.295 1.00 0.00 C ATOM 615 CG MET A 41 -15.118 10.381 2.517 1.00 0.00 C ATOM 616 SD MET A 41 -14.897 11.747 1.390 1.00 0.00 S ATOM 617 CE MET A 41 -15.279 10.940 -0.155 1.00 0.00 C ATOM 0 H MET A 41 -14.974 11.007 5.339 1.00 0.00 H new ATOM 0 HA MET A 41 -16.388 12.707 3.407 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.560 9.708 3.974 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.268 10.540 2.604 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.277 10.330 3.209 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.133 9.442 1.964 1.00 0.00 H new ATOM 0 HE1 MET A 41 -15.656 11.675 -0.866 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.378 10.477 -0.556 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.037 10.175 0.012 1.00 0.00 H new ATOM 627 N LYS A 42 -18.831 11.794 4.224 1.00 0.00 N ATOM 628 CA LYS A 42 -20.127 11.861 4.878 1.00 0.00 C ATOM 629 C LYS A 42 -20.681 10.445 5.047 1.00 0.00 C ATOM 630 O LYS A 42 -20.572 9.619 4.141 1.00 0.00 O ATOM 631 CB LYS A 42 -21.063 12.801 4.116 1.00 0.00 C ATOM 632 CG LYS A 42 -20.395 14.154 3.864 1.00 0.00 C ATOM 633 CD LYS A 42 -19.573 14.129 2.574 1.00 0.00 C ATOM 634 CE LYS A 42 -18.149 14.628 2.821 1.00 0.00 C ATOM 635 NZ LYS A 42 -17.224 14.082 1.803 1.00 0.00 N ATOM 0 H LYS A 42 -18.868 11.617 3.220 1.00 0.00 H new ATOM 0 HA LYS A 42 -20.029 12.287 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.345 12.348 3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.982 12.945 4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -21.155 14.932 3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -19.750 14.407 4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.543 13.114 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.054 14.751 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.129 15.717 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.820 14.330 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.380 13.696 2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.700 13.326 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.941 14.840 1.149 1.00 0.00 H new ATOM 649 N ASP A 43 -21.265 10.207 6.212 1.00 0.00 N ATOM 650 CA ASP A 43 -21.837 8.906 6.512 1.00 0.00 C ATOM 651 C ASP A 43 -22.847 8.535 5.424 1.00 0.00 C ATOM 652 O ASP A 43 -22.961 7.369 5.050 1.00 0.00 O ATOM 653 CB ASP A 43 -22.571 8.922 7.854 1.00 0.00 C ATOM 654 CG ASP A 43 -23.021 7.551 8.362 1.00 0.00 C ATOM 655 OD1 ASP A 43 -22.149 6.828 8.891 1.00 0.00 O ATOM 656 OD2 ASP A 43 -24.226 7.256 8.210 1.00 0.00 O ATOM 0 H ASP A 43 -21.354 10.894 6.960 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.023 8.182 6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -21.919 9.374 8.602 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -23.447 9.565 7.764 1.00 0.00 H new ATOM 661 N SER A 44 -23.554 9.549 4.947 1.00 0.00 N ATOM 662 CA SER A 44 -24.551 9.344 3.910 1.00 0.00 C ATOM 663 C SER A 44 -23.868 8.942 2.601 1.00 0.00 C ATOM 664 O SER A 44 -24.408 8.144 1.836 1.00 0.00 O ATOM 665 CB SER A 44 -25.396 10.602 3.703 1.00 0.00 C ATOM 666 OG SER A 44 -26.017 11.034 4.911 1.00 0.00 O ATOM 0 H SER A 44 -23.456 10.515 5.260 1.00 0.00 H new ATOM 0 HA SER A 44 -25.216 8.541 4.228 1.00 0.00 H new ATOM 0 HB2 SER A 44 -24.766 11.402 3.313 1.00 0.00 H new ATOM 0 HB3 SER A 44 -26.161 10.405 2.952 1.00 0.00 H new ATOM 0 HG SER A 44 -26.546 11.840 4.737 1.00 0.00 H new ATOM 672 N GLU A 45 -22.692 9.511 2.384 1.00 0.00 N ATOM 673 CA GLU A 45 -21.931 9.222 1.181 1.00 0.00 C ATOM 674 C GLU A 45 -21.477 7.761 1.179 1.00 0.00 C ATOM 675 O GLU A 45 -21.716 7.034 0.215 1.00 0.00 O ATOM 676 CB GLU A 45 -20.735 10.167 1.048 1.00 0.00 C ATOM 677 CG GLU A 45 -21.008 11.253 0.005 1.00 0.00 C ATOM 678 CD GLU A 45 -20.798 10.717 -1.413 1.00 0.00 C ATOM 679 OE1 GLU A 45 -19.626 10.438 -1.746 1.00 0.00 O ATOM 680 OE2 GLU A 45 -21.814 10.598 -2.131 1.00 0.00 O ATOM 0 H GLU A 45 -22.247 10.171 3.022 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.577 9.383 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.523 10.629 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.848 9.600 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -22.030 11.617 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -20.347 12.103 0.178 1.00 0.00 H new ATOM 687 N ILE A 46 -20.831 7.373 2.268 1.00 0.00 N ATOM 688 CA ILE A 46 -20.341 6.012 2.404 1.00 0.00 C ATOM 689 C ILE A 46 -21.462 5.034 2.046 1.00 0.00 C ATOM 690 O ILE A 46 -21.213 3.998 1.431 1.00 0.00 O ATOM 691 CB ILE A 46 -19.755 5.790 3.800 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.547 6.699 4.038 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.415 4.315 4.024 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.290 6.889 5.534 1.00 0.00 C ATOM 0 H ILE A 46 -20.635 7.978 3.066 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.523 5.830 1.707 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.512 6.061 4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.664 6.268 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.718 7.668 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.000 4.185 5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.319 3.714 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.683 3.994 3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.426 7.539 5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.165 7.343 5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -18.095 5.921 5.995 1.00 0.00 H new ATOM 706 N ARG A 47 -22.672 5.397 2.445 1.00 0.00 N ATOM 707 CA ARG A 47 -23.831 4.565 2.174 1.00 0.00 C ATOM 708 C ARG A 47 -24.262 4.715 0.713 1.00 0.00 C ATOM 709 O ARG A 47 -24.714 3.754 0.093 1.00 0.00 O ATOM 710 CB ARG A 47 -25.002 4.937 3.085 1.00 0.00 C ATOM 711 CG ARG A 47 -26.337 4.791 2.351 1.00 0.00 C ATOM 712 CD ARG A 47 -27.473 4.499 3.332 1.00 0.00 C ATOM 713 NE ARG A 47 -28.749 4.343 2.598 1.00 0.00 N ATOM 714 CZ ARG A 47 -29.093 3.242 1.917 1.00 0.00 C ATOM 715 NH1 ARG A 47 -28.260 2.193 1.872 1.00 0.00 N ATOM 716 NH2 ARG A 47 -30.271 3.189 1.280 1.00 0.00 N ATOM 0 H ARG A 47 -22.875 6.257 2.954 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.549 3.530 2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -24.997 4.298 3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -24.885 5.963 3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -26.554 5.705 1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -26.268 3.986 1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -27.254 3.591 3.894 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -27.557 5.310 4.056 1.00 0.00 H new ATOM 0 HE ARG A 47 -29.407 5.122 2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -27.363 2.233 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -28.523 1.355 1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -30.905 3.987 1.314 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -30.533 2.351 0.761 1.00 0.00 H new ATOM 730 N GLN A 48 -24.108 5.930 0.206 1.00 0.00 N ATOM 731 CA GLN A 48 -24.476 6.218 -1.169 1.00 0.00 C ATOM 732 C GLN A 48 -23.635 5.377 -2.132 1.00 0.00 C ATOM 733 O GLN A 48 -24.173 4.577 -2.895 1.00 0.00 O ATOM 734 CB GLN A 48 -24.330 7.711 -1.474 1.00 0.00 C ATOM 735 CG GLN A 48 -24.178 7.951 -2.978 1.00 0.00 C ATOM 736 CD GLN A 48 -25.420 7.479 -3.737 1.00 0.00 C ATOM 737 OE1 GLN A 48 -25.355 6.658 -4.637 1.00 0.00 O ATOM 738 NE2 GLN A 48 -26.552 8.043 -3.325 1.00 0.00 N ATOM 0 H GLN A 48 -23.733 6.725 0.723 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.524 5.953 -1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -25.202 8.249 -1.103 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -23.462 8.110 -0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -24.014 9.012 -3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.299 7.422 -3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.536 8.724 -2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -27.436 7.795 -3.769 1.00 0.00 H new ATOM 747 N ILE A 49 -22.329 5.587 -2.063 1.00 0.00 N ATOM 748 CA ILE A 49 -21.408 4.858 -2.919 1.00 0.00 C ATOM 749 C ILE A 49 -21.839 3.391 -2.992 1.00 0.00 C ATOM 750 O ILE A 49 -22.168 2.890 -4.066 1.00 0.00 O ATOM 751 CB ILE A 49 -19.967 5.052 -2.443 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.497 6.487 -2.690 1.00 0.00 C ATOM 753 CG2 ILE A 49 -19.034 4.024 -3.087 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.554 6.954 -1.579 1.00 0.00 C ATOM 0 H ILE A 49 -21.886 6.251 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.440 5.251 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.937 4.884 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -18.989 6.546 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.359 7.152 -2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -18.016 4.184 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.359 3.019 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -19.062 4.136 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -18.235 7.977 -1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -19.073 6.916 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.681 6.302 -1.544 1.00 0.00 H new ATOM 766 N GLU A 50 -21.824 2.745 -1.835 1.00 0.00 N ATOM 767 CA GLU A 50 -22.209 1.346 -1.755 1.00 0.00 C ATOM 768 C GLU A 50 -23.452 1.088 -2.609 1.00 0.00 C ATOM 769 O GLU A 50 -23.490 0.134 -3.384 1.00 0.00 O ATOM 770 CB GLU A 50 -22.444 0.925 -0.303 1.00 0.00 C ATOM 771 CG GLU A 50 -21.256 0.123 0.234 1.00 0.00 C ATOM 772 CD GLU A 50 -21.721 -1.196 0.854 1.00 0.00 C ATOM 773 OE1 GLU A 50 -22.580 -1.848 0.222 1.00 0.00 O ATOM 774 OE2 GLU A 50 -21.207 -1.523 1.945 1.00 0.00 O ATOM 0 H GLU A 50 -21.551 3.164 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.391 0.741 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.600 1.809 0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.352 0.326 -0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -20.553 -0.079 -0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.723 0.712 0.980 1.00 0.00 H new ATOM 781 N CYS A 51 -24.439 1.955 -2.438 1.00 0.00 N ATOM 782 CA CYS A 51 -25.680 1.833 -3.183 1.00 0.00 C ATOM 783 C CYS A 51 -25.378 2.081 -4.663 1.00 0.00 C ATOM 784 O CYS A 51 -25.723 1.264 -5.515 1.00 0.00 O ATOM 785 CB CYS A 51 -26.754 2.785 -2.653 1.00 0.00 C ATOM 786 SG CYS A 51 -28.303 2.572 -3.604 1.00 0.00 S ATOM 0 H CYS A 51 -24.404 2.745 -1.794 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.085 0.829 -3.059 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.936 2.589 -1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.409 3.816 -2.731 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.209 3.383 -3.145 1.00 0.00 H new ATOM 792 N ASP A 52 -24.738 3.211 -4.922 1.00 0.00 N ATOM 793 CA ASP A 52 -24.386 3.577 -6.283 1.00 0.00 C ATOM 794 C ASP A 52 -23.851 2.345 -7.016 1.00 0.00 C ATOM 795 O ASP A 52 -24.335 2.000 -8.093 1.00 0.00 O ATOM 796 CB ASP A 52 -23.294 4.648 -6.301 1.00 0.00 C ATOM 797 CG ASP A 52 -23.605 5.875 -7.161 1.00 0.00 C ATOM 798 OD1 ASP A 52 -24.233 5.678 -8.224 1.00 0.00 O ATOM 799 OD2 ASP A 52 -23.207 6.981 -6.737 1.00 0.00 O ATOM 0 H ASP A 52 -24.454 3.886 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.281 3.966 -6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -23.112 4.977 -5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.369 4.196 -6.660 1.00 0.00 H new ATOM 804 N SER A 53 -22.861 1.714 -6.402 1.00 0.00 N ATOM 805 CA SER A 53 -22.255 0.527 -6.982 1.00 0.00 C ATOM 806 C SER A 53 -21.936 -0.488 -5.883 1.00 0.00 C ATOM 807 O SER A 53 -21.250 -0.164 -4.914 1.00 0.00 O ATOM 808 CB SER A 53 -20.988 0.881 -7.762 1.00 0.00 C ATOM 809 OG SER A 53 -21.271 1.687 -8.903 1.00 0.00 O ATOM 0 H SER A 53 -22.463 2.002 -5.508 1.00 0.00 H new ATOM 0 HA SER A 53 -22.967 0.085 -7.679 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.295 1.410 -7.107 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.490 -0.035 -8.080 1.00 0.00 H new ATOM 0 HG SER A 53 -20.551 1.588 -9.560 1.00 0.00 H new ATOM 815 N GLU A 54 -22.448 -1.695 -6.070 1.00 0.00 N ATOM 816 CA GLU A 54 -22.226 -2.760 -5.106 1.00 0.00 C ATOM 817 C GLU A 54 -20.973 -3.557 -5.475 1.00 0.00 C ATOM 818 O GLU A 54 -20.883 -4.749 -5.186 1.00 0.00 O ATOM 819 CB GLU A 54 -23.448 -3.675 -5.008 1.00 0.00 C ATOM 820 CG GLU A 54 -23.668 -4.437 -6.316 1.00 0.00 C ATOM 821 CD GLU A 54 -24.138 -5.868 -6.044 1.00 0.00 C ATOM 822 OE1 GLU A 54 -23.290 -6.666 -5.589 1.00 0.00 O ATOM 823 OE2 GLU A 54 -25.333 -6.131 -6.298 1.00 0.00 O ATOM 0 H GLU A 54 -23.016 -1.960 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.071 -2.309 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.313 -4.382 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -24.333 -3.083 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.408 -3.917 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -22.741 -4.457 -6.890 1.00 0.00 H new ATOM 830 N ASP A 55 -20.036 -2.866 -6.109 1.00 0.00 N ATOM 831 CA ASP A 55 -18.792 -3.494 -6.520 1.00 0.00 C ATOM 832 C ASP A 55 -17.631 -2.874 -5.741 1.00 0.00 C ATOM 833 O ASP A 55 -17.399 -1.669 -5.820 1.00 0.00 O ATOM 834 CB ASP A 55 -18.532 -3.275 -8.012 1.00 0.00 C ATOM 835 CG ASP A 55 -18.876 -4.465 -8.910 1.00 0.00 C ATOM 836 OD1 ASP A 55 -19.449 -5.436 -8.370 1.00 0.00 O ATOM 837 OD2 ASP A 55 -18.559 -4.377 -10.115 1.00 0.00 O ATOM 0 H ASP A 55 -20.114 -1.877 -6.348 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.871 -4.563 -6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -19.108 -2.411 -8.343 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.479 -3.028 -8.150 1.00 0.00 H new ATOM 842 N MET A 56 -16.931 -3.726 -5.007 1.00 0.00 N ATOM 843 CA MET A 56 -15.799 -3.277 -4.214 1.00 0.00 C ATOM 844 C MET A 56 -15.012 -2.189 -4.949 1.00 0.00 C ATOM 845 O MET A 56 -14.871 -1.075 -4.448 1.00 0.00 O ATOM 846 CB MET A 56 -14.878 -4.463 -3.921 1.00 0.00 C ATOM 847 CG MET A 56 -15.159 -5.045 -2.534 1.00 0.00 C ATOM 848 SD MET A 56 -16.685 -5.970 -2.558 1.00 0.00 S ATOM 849 CE MET A 56 -17.726 -4.875 -1.607 1.00 0.00 C ATOM 0 H MET A 56 -17.126 -4.725 -4.945 1.00 0.00 H new ATOM 0 HA MET A 56 -16.176 -2.859 -3.281 1.00 0.00 H new ATOM 0 HB2 MET A 56 -15.020 -5.234 -4.678 1.00 0.00 H new ATOM 0 HB3 MET A 56 -13.838 -4.144 -3.982 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.337 -5.692 -2.229 1.00 0.00 H new ATOM 0 HG3 MET A 56 -15.222 -4.242 -1.800 1.00 0.00 H new ATOM 0 HE1 MET A 56 -18.664 -5.378 -1.372 1.00 0.00 H new ATOM 0 HE2 MET A 56 -17.218 -4.603 -0.682 1.00 0.00 H new ATOM 0 HE3 MET A 56 -17.932 -3.975 -2.186 1.00 0.00 H new ATOM 859 N LYS A 57 -14.521 -2.551 -6.125 1.00 0.00 N ATOM 860 CA LYS A 57 -13.753 -1.619 -6.934 1.00 0.00 C ATOM 861 C LYS A 57 -14.537 -0.314 -7.084 1.00 0.00 C ATOM 862 O LYS A 57 -14.098 0.735 -6.615 1.00 0.00 O ATOM 863 CB LYS A 57 -13.366 -2.261 -8.267 1.00 0.00 C ATOM 864 CG LYS A 57 -12.242 -3.282 -8.079 1.00 0.00 C ATOM 865 CD LYS A 57 -11.819 -3.886 -9.420 1.00 0.00 C ATOM 866 CE LYS A 57 -11.594 -5.394 -9.296 1.00 0.00 C ATOM 867 NZ LYS A 57 -11.977 -6.080 -10.550 1.00 0.00 N ATOM 0 H LYS A 57 -14.640 -3.476 -6.537 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.813 -1.371 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.236 -2.750 -8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.047 -1.489 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.385 -2.802 -7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.574 -4.074 -7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.586 -3.690 -10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.904 -3.406 -9.767 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.547 -5.594 -9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.180 -5.788 -8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.818 -7.103 -10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.983 -5.904 -10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.400 -5.716 -11.335 1.00 0.00 H new ATOM 881 N MET A 58 -15.683 -0.421 -7.739 1.00 0.00 N ATOM 882 CA MET A 58 -16.532 0.738 -7.957 1.00 0.00 C ATOM 883 C MET A 58 -16.616 1.600 -6.696 1.00 0.00 C ATOM 884 O MET A 58 -16.340 2.798 -6.740 1.00 0.00 O ATOM 885 CB MET A 58 -17.936 0.275 -8.354 1.00 0.00 C ATOM 886 CG MET A 58 -17.959 -0.229 -9.798 1.00 0.00 C ATOM 887 SD MET A 58 -18.658 1.016 -10.869 1.00 0.00 S ATOM 888 CE MET A 58 -17.229 2.060 -11.103 1.00 0.00 C ATOM 0 H MET A 58 -16.044 -1.293 -8.126 1.00 0.00 H new ATOM 0 HA MET A 58 -16.098 1.338 -8.757 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.264 -0.519 -7.683 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.640 1.099 -8.242 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.948 -0.473 -10.123 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.545 -1.146 -9.862 1.00 0.00 H new ATOM 0 HE1 MET A 58 -17.341 2.629 -12.026 1.00 0.00 H new ATOM 0 HE2 MET A 58 -17.139 2.747 -10.262 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.333 1.442 -11.164 1.00 0.00 H new ATOM 898 N ARG A 59 -16.998 0.958 -5.602 1.00 0.00 N ATOM 899 CA ARG A 59 -17.122 1.651 -4.332 1.00 0.00 C ATOM 900 C ARG A 59 -15.891 2.525 -4.082 1.00 0.00 C ATOM 901 O ARG A 59 -16.012 3.735 -3.894 1.00 0.00 O ATOM 902 CB ARG A 59 -17.278 0.660 -3.176 1.00 0.00 C ATOM 903 CG ARG A 59 -18.556 -0.166 -3.332 1.00 0.00 C ATOM 904 CD ARG A 59 -18.598 -1.308 -2.315 1.00 0.00 C ATOM 905 NE ARG A 59 -19.729 -2.214 -2.617 1.00 0.00 N ATOM 906 CZ ARG A 59 -20.316 -3.009 -1.712 1.00 0.00 C ATOM 907 NH1 ARG A 59 -19.884 -3.016 -0.444 1.00 0.00 N ATOM 908 NH2 ARG A 59 -21.336 -3.798 -2.076 1.00 0.00 N ATOM 0 H ARG A 59 -17.226 -0.036 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.013 2.277 -4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.414 -0.003 -3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.303 1.200 -2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.427 0.476 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.610 -0.572 -4.342 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.660 -1.863 -2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.703 -0.905 -1.308 1.00 0.00 H new ATOM 0 HE ARG A 59 -20.083 -2.234 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.107 -2.416 -0.166 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.332 -3.622 0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -21.665 -3.793 -3.041 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.783 -4.403 -1.388 1.00 0.00 H new ATOM 922 N ALA A 60 -14.734 1.879 -4.087 1.00 0.00 N ATOM 923 CA ALA A 60 -13.483 2.582 -3.864 1.00 0.00 C ATOM 924 C ALA A 60 -13.364 3.733 -4.865 1.00 0.00 C ATOM 925 O ALA A 60 -13.259 4.894 -4.471 1.00 0.00 O ATOM 926 CB ALA A 60 -12.317 1.596 -3.968 1.00 0.00 C ATOM 0 H ALA A 60 -14.637 0.876 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.458 3.012 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.378 2.124 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.433 0.815 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.308 1.146 -4.961 1.00 0.00 H new ATOM 932 N LYS A 61 -13.384 3.371 -6.139 1.00 0.00 N ATOM 933 CA LYS A 61 -13.279 4.360 -7.199 1.00 0.00 C ATOM 934 C LYS A 61 -14.198 5.541 -6.881 1.00 0.00 C ATOM 935 O LYS A 61 -13.732 6.668 -6.718 1.00 0.00 O ATOM 936 CB LYS A 61 -13.554 3.717 -8.560 1.00 0.00 C ATOM 937 CG LYS A 61 -13.011 4.586 -9.696 1.00 0.00 C ATOM 938 CD LYS A 61 -13.677 4.228 -11.027 1.00 0.00 C ATOM 939 CE LYS A 61 -13.011 4.966 -12.189 1.00 0.00 C ATOM 940 NZ LYS A 61 -13.776 4.760 -13.440 1.00 0.00 N ATOM 0 H LYS A 61 -13.471 2.407 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.263 4.751 -7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.093 2.730 -8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.627 3.573 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.185 5.638 -9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.932 4.452 -9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.615 3.152 -11.191 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.736 4.484 -10.988 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.950 6.031 -11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.989 4.608 -12.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.310 5.268 -14.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.813 3.744 -13.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.743 5.123 -13.319 1.00 0.00 H new ATOM 954 N GLN A 62 -15.487 5.243 -6.803 1.00 0.00 N ATOM 955 CA GLN A 62 -16.475 6.267 -6.507 1.00 0.00 C ATOM 956 C GLN A 62 -15.982 7.169 -5.374 1.00 0.00 C ATOM 957 O GLN A 62 -16.079 8.392 -5.462 1.00 0.00 O ATOM 958 CB GLN A 62 -17.827 5.640 -6.160 1.00 0.00 C ATOM 959 CG GLN A 62 -18.586 5.240 -7.427 1.00 0.00 C ATOM 960 CD GLN A 62 -19.381 6.422 -7.986 1.00 0.00 C ATOM 961 OE1 GLN A 62 -19.011 7.043 -8.968 1.00 0.00 O ATOM 962 NE2 GLN A 62 -20.491 6.697 -7.307 1.00 0.00 N ATOM 0 H GLN A 62 -15.870 4.307 -6.940 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.613 6.879 -7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.675 4.763 -5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.423 6.347 -5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.883 4.882 -8.179 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.262 4.415 -7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -20.743 6.137 -6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -21.091 7.468 -7.601 1.00 0.00 H new ATOM 971 N LEU A 63 -15.463 6.531 -4.335 1.00 0.00 N ATOM 972 CA LEU A 63 -14.955 7.260 -3.186 1.00 0.00 C ATOM 973 C LEU A 63 -13.794 8.154 -3.628 1.00 0.00 C ATOM 974 O LEU A 63 -13.790 9.353 -3.353 1.00 0.00 O ATOM 975 CB LEU A 63 -14.592 6.295 -2.056 1.00 0.00 C ATOM 976 CG LEU A 63 -13.773 6.885 -0.906 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.605 7.881 -0.096 1.00 0.00 C ATOM 978 CD2 LEU A 63 -13.186 5.779 -0.027 1.00 0.00 C ATOM 0 H LEU A 63 -15.384 5.516 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.726 7.915 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.515 5.885 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -14.034 5.461 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.934 7.437 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -14.000 8.286 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.933 8.693 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.476 7.374 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.609 6.226 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.994 5.179 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.536 5.143 -0.628 1.00 0.00 H new ATOM 990 N LEU A 64 -12.837 7.536 -4.304 1.00 0.00 N ATOM 991 CA LEU A 64 -11.673 8.260 -4.786 1.00 0.00 C ATOM 992 C LEU A 64 -12.132 9.510 -5.540 1.00 0.00 C ATOM 993 O LEU A 64 -11.568 10.589 -5.362 1.00 0.00 O ATOM 994 CB LEU A 64 -10.774 7.339 -5.613 1.00 0.00 C ATOM 995 CG LEU A 64 -9.840 6.423 -4.819 1.00 0.00 C ATOM 996 CD1 LEU A 64 -10.142 6.499 -3.321 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.904 4.988 -5.344 1.00 0.00 C ATOM 0 H LEU A 64 -12.844 6.541 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.061 8.598 -3.950 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.408 6.718 -6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.168 7.956 -6.276 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.817 6.772 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.465 5.839 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.005 7.523 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.171 6.189 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.231 4.358 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.923 4.612 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.604 4.970 -6.392 1.00 0.00 H new ATOM 1009 N VAL A 65 -13.152 9.324 -6.365 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.693 10.423 -7.146 1.00 0.00 C ATOM 1011 C VAL A 65 -14.242 11.493 -6.200 1.00 0.00 C ATOM 1012 O VAL A 65 -13.764 12.626 -6.196 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.742 9.899 -8.130 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.366 11.046 -8.927 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.141 8.846 -9.063 1.00 0.00 C ATOM 0 H VAL A 65 -13.618 8.428 -6.509 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.910 10.889 -7.744 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.534 9.422 -7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -16.108 10.647 -9.619 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.847 11.745 -8.243 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.588 11.564 -9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.907 8.490 -9.752 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.321 9.287 -9.629 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.766 8.009 -8.474 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.238 11.095 -5.423 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.857 12.007 -4.475 1.00 0.00 C ATOM 1027 C ALA A 66 -14.774 12.630 -3.592 1.00 0.00 C ATOM 1028 O ALA A 66 -14.903 13.774 -3.159 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.913 11.257 -3.661 1.00 0.00 C ATOM 0 H ALA A 66 -15.632 10.154 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.364 12.819 -4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.377 11.940 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.674 10.859 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.441 10.437 -3.120 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.731 11.849 -3.350 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.627 12.310 -2.526 1.00 0.00 C ATOM 1037 C TRP A 67 -11.781 13.272 -3.363 1.00 0.00 C ATOM 1038 O TRP A 67 -11.228 14.237 -2.838 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.823 11.130 -1.976 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.450 11.517 -1.422 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.164 12.058 -0.230 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.180 11.369 -2.092 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.808 12.269 -0.083 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.191 11.836 -1.251 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.877 10.857 -3.365 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.833 11.838 -1.591 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.515 10.866 -3.691 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.507 11.333 -2.856 1.00 0.00 C ATOM 0 H TRP A 67 -13.628 10.900 -3.710 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.996 12.844 -1.650 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.399 10.647 -1.187 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.689 10.394 -2.769 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.902 12.299 0.521 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.344 12.669 0.733 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.635 10.486 -4.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.077 12.209 -0.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.228 10.483 -4.659 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.477 11.307 -3.181 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.707 12.974 -4.652 1.00 0.00 N ATOM 1060 CA GLN A 68 -10.938 13.800 -5.568 1.00 0.00 C ATOM 1061 C GLN A 68 -11.674 15.112 -5.845 1.00 0.00 C ATOM 1062 O GLN A 68 -11.046 16.147 -6.060 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.645 13.050 -6.869 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.872 13.934 -7.849 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.319 13.109 -9.013 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -8.422 12.196 -8.651 1.00 0.00 O flip ATOM 1067 NE2 GLN A 68 -9.683 13.289 -10.164 1.00 0.00 N flip ATOM 0 H GLN A 68 -12.167 12.172 -5.084 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.982 14.034 -5.100 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.069 12.151 -6.653 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.581 12.727 -7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.527 14.717 -8.232 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.053 14.430 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.376 14.008 -10.373 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.294 12.721 -10.917 1.00 0.00 H new ATOM 1076 N ASP A 69 -12.996 15.026 -5.832 1.00 0.00 N ATOM 1077 CA ASP A 69 -13.825 16.193 -6.080 1.00 0.00 C ATOM 1078 C ASP A 69 -13.907 17.035 -4.804 1.00 0.00 C ATOM 1079 O ASP A 69 -13.927 18.263 -4.867 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.247 15.787 -6.470 1.00 0.00 C ATOM 1081 CG ASP A 69 -16.194 16.951 -6.769 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -15.879 17.711 -7.709 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -17.211 17.053 -6.050 1.00 0.00 O ATOM 0 H ASP A 69 -13.514 14.166 -5.653 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.375 16.758 -6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.197 15.144 -7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.672 15.191 -5.663 1.00 0.00 H new ATOM 1088 N GLN A 70 -13.952 16.340 -3.677 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.031 17.008 -2.389 1.00 0.00 C ATOM 1090 C GLN A 70 -12.702 17.692 -2.063 1.00 0.00 C ATOM 1091 O GLN A 70 -12.663 18.896 -1.816 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.428 16.026 -1.285 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.849 16.455 0.064 1.00 0.00 C ATOM 1094 CD GLN A 70 -14.759 16.019 1.215 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -15.948 16.294 1.239 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -14.137 15.325 2.164 1.00 0.00 N ATOM 0 H GLN A 70 -13.935 15.321 -3.629 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.806 17.772 -2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.514 15.969 -1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.072 15.027 -1.537 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.858 16.019 0.194 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.726 17.538 0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.139 15.130 2.082 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.658 14.988 2.974 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.645 16.894 -2.072 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.317 17.407 -1.781 1.00 0.00 C ATOM 1107 C GLU A 71 -9.803 18.245 -2.952 1.00 0.00 C ATOM 1108 O GLU A 71 -8.721 18.826 -2.877 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.348 16.268 -1.455 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.641 15.678 -0.073 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.814 16.378 1.008 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -7.582 16.464 0.813 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -9.432 16.810 2.004 1.00 0.00 O ATOM 0 H GLU A 71 -11.681 15.895 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.382 18.048 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.430 15.488 -2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.323 16.637 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.702 15.780 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.417 14.611 -0.074 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.602 18.283 -4.008 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.241 19.040 -5.194 1.00 0.00 C ATOM 1122 C GLY A 72 -8.843 18.659 -5.684 1.00 0.00 C ATOM 1123 O GLY A 72 -8.629 17.541 -6.150 1.00 0.00 O ATOM 0 H GLY A 72 -11.499 17.801 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.970 18.855 -5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.274 20.107 -4.973 1.00 0.00 H new ATOM 1127 N VAL A 73 -7.928 19.609 -5.562 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.557 19.387 -5.987 1.00 0.00 C ATOM 1129 C VAL A 73 -5.749 18.827 -4.815 1.00 0.00 C ATOM 1130 O VAL A 73 -4.674 18.263 -5.011 1.00 0.00 O ATOM 1131 CB VAL A 73 -5.969 20.680 -6.555 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -6.923 21.319 -7.566 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.619 21.662 -5.435 1.00 0.00 C ATOM 0 H VAL A 73 -8.110 20.535 -5.175 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.520 18.650 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.047 20.427 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.481 22.236 -7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.100 20.625 -8.388 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.869 21.551 -7.077 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.203 22.573 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.519 21.906 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.885 21.208 -4.769 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.298 19.003 -3.622 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.641 18.522 -2.418 1.00 0.00 C ATOM 1145 C HIS A 74 -5.659 16.993 -2.399 1.00 0.00 C ATOM 1146 O HIS A 74 -4.989 16.370 -1.576 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.277 19.138 -1.170 1.00 0.00 C ATOM 1148 CG HIS A 74 -6.082 20.631 -1.054 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -5.672 21.550 -1.974 1.00 0.00 N flip ATOM 1150 CD2 HIS A 74 -6.318 21.329 0.118 1.00 0.00 C flip ATOM 1151 CE1 HIS A 74 -5.659 22.745 -1.397 1.00 0.00 C flip ATOM 1152 NE2 HIS A 74 -6.058 22.610 -0.099 1.00 0.00 N flip ATOM 0 H HIS A 74 -7.190 19.472 -3.463 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.598 18.838 -2.418 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.345 18.921 -1.174 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.858 18.657 -0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -6.656 20.902 1.051 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -5.379 23.672 -1.876 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.141 23.363 0.584 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.433 16.431 -3.316 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.547 14.986 -3.416 1.00 0.00 C ATOM 1162 C ALA A 75 -5.306 14.428 -4.116 1.00 0.00 C ATOM 1163 O ALA A 75 -5.361 14.070 -5.292 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.841 14.625 -4.147 1.00 0.00 C ATOM 0 H ALA A 75 -6.987 16.951 -3.997 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.597 14.535 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.926 13.541 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.694 15.019 -3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.827 15.058 -5.147 1.00 0.00 H new ATOM 1170 N THR A 76 -4.217 14.371 -3.365 1.00 0.00 N ATOM 1171 CA THR A 76 -2.965 13.862 -3.899 1.00 0.00 C ATOM 1172 C THR A 76 -2.725 12.428 -3.422 1.00 0.00 C ATOM 1173 O THR A 76 -3.336 11.982 -2.452 1.00 0.00 O ATOM 1174 CB THR A 76 -1.851 14.831 -3.497 1.00 0.00 C ATOM 1175 OG1 THR A 76 -2.040 15.016 -2.096 1.00 0.00 O ATOM 1176 CG2 THR A 76 -2.049 16.228 -4.087 1.00 0.00 C ATOM 0 H THR A 76 -4.175 14.669 -2.390 1.00 0.00 H new ATOM 0 HA THR A 76 -2.992 13.808 -4.987 1.00 0.00 H new ATOM 0 HB THR A 76 -0.890 14.433 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.197 15.305 -1.688 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.231 16.876 -3.771 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.062 16.165 -5.175 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.995 16.640 -3.736 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.810 11.728 -4.144 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.481 10.354 -3.804 1.00 0.00 C ATOM 1186 C PRO A 77 -0.595 10.294 -2.558 1.00 0.00 C ATOM 1187 O PRO A 77 -0.613 9.305 -1.826 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.802 9.794 -5.043 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.359 11.000 -5.856 1.00 0.00 C ATOM 1190 CD PRO A 77 -1.066 12.224 -5.298 1.00 0.00 C ATOM 0 HA PRO A 77 -2.360 9.763 -3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.050 9.170 -4.773 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.487 9.168 -5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.722 11.124 -5.797 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.607 10.863 -6.908 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.353 12.995 -5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.732 12.668 -6.038 1.00 0.00 H new ATOM 1198 N GLU A 78 0.159 11.364 -2.355 1.00 0.00 N ATOM 1199 CA GLU A 78 1.050 11.446 -1.211 1.00 0.00 C ATOM 1200 C GLU A 78 0.245 11.625 0.078 1.00 0.00 C ATOM 1201 O GLU A 78 0.719 11.293 1.163 1.00 0.00 O ATOM 1202 CB GLU A 78 2.065 12.577 -1.385 1.00 0.00 C ATOM 1203 CG GLU A 78 3.235 12.420 -0.412 1.00 0.00 C ATOM 1204 CD GLU A 78 3.461 13.705 0.386 1.00 0.00 C ATOM 1205 OE1 GLU A 78 2.662 13.943 1.318 1.00 0.00 O ATOM 1206 OE2 GLU A 78 4.428 14.421 0.047 1.00 0.00 O ATOM 0 H GLU A 78 0.171 12.182 -2.964 1.00 0.00 H new ATOM 0 HA GLU A 78 1.606 10.511 -1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.438 12.581 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.576 13.537 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.036 11.594 0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.140 12.167 -0.964 1.00 0.00 H new ATOM 1213 N ASN A 79 -0.961 12.151 -0.085 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.837 12.378 1.052 1.00 0.00 C ATOM 1215 C ASN A 79 -2.601 11.091 1.368 1.00 0.00 C ATOM 1216 O ASN A 79 -2.593 10.624 2.506 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.862 13.473 0.746 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.206 14.855 0.752 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.019 15.006 0.989 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -3.043 15.852 0.480 1.00 0.00 N ATOM 0 H ASN A 79 -1.351 12.426 -0.986 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.220 12.685 1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.318 13.287 -0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.663 13.443 1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.702 16.813 0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.026 15.656 0.291 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.243 10.554 0.341 1.00 0.00 N ATOM 1228 CA LEU A 80 -4.009 9.329 0.495 1.00 0.00 C ATOM 1229 C LEU A 80 -3.162 8.292 1.233 1.00 0.00 C ATOM 1230 O LEU A 80 -3.631 7.663 2.181 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.527 8.847 -0.862 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.777 7.964 -0.828 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.841 8.557 0.098 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -6.315 7.721 -2.239 1.00 0.00 C ATOM 0 H LEU A 80 -3.248 10.945 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.895 9.508 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.740 9.720 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.729 8.294 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.499 6.993 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.719 7.911 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.441 8.635 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.122 9.548 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.203 7.091 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.574 8.675 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.552 7.224 -2.839 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.929 8.144 0.771 1.00 0.00 N ATOM 1247 CA ILE A 81 -1.012 7.193 1.376 1.00 0.00 C ATOM 1248 C ILE A 81 -0.930 7.457 2.881 1.00 0.00 C ATOM 1249 O ILE A 81 -1.062 6.536 3.685 1.00 0.00 O ATOM 1250 CB ILE A 81 0.344 7.232 0.670 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.228 6.726 -0.769 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.399 6.461 1.465 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.497 7.037 -1.565 1.00 0.00 C ATOM 0 H ILE A 81 -1.544 8.667 -0.015 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.381 6.175 1.250 1.00 0.00 H new ATOM 0 HB ILE A 81 0.673 8.270 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.051 5.651 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.632 7.190 -1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.354 6.505 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.507 6.907 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.089 5.421 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.387 6.666 -2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.658 8.115 -1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.351 6.552 -1.092 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.712 8.720 3.216 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.610 9.118 4.610 1.00 0.00 C ATOM 1267 C ASN A 82 -1.795 8.541 5.388 1.00 0.00 C ATOM 1268 O ASN A 82 -1.609 7.884 6.412 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.647 10.641 4.753 1.00 0.00 C ATOM 1270 CG ASN A 82 0.615 11.157 5.447 1.00 0.00 C ATOM 1271 OD1 ASN A 82 1.192 10.510 6.305 1.00 0.00 O ATOM 1272 ND2 ASN A 82 1.010 12.356 5.028 1.00 0.00 N ATOM 0 H ASN A 82 -0.603 9.481 2.546 1.00 0.00 H new ATOM 0 HA ASN A 82 0.336 8.743 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.739 11.100 3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.527 10.935 5.325 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.843 12.788 5.429 1.00 0.00 H new ATOM 0 HD22 ASN A 82 0.480 12.844 4.305 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.986 8.808 4.873 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.201 8.323 5.507 1.00 0.00 C ATOM 1281 C ALA A 83 -4.150 6.797 5.598 1.00 0.00 C ATOM 1282 O ALA A 83 -4.345 6.228 6.671 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.418 8.821 4.725 1.00 0.00 C ATOM 0 H ALA A 83 -3.136 9.354 4.024 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.285 8.710 6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.329 8.458 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.423 9.911 4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.370 8.450 3.701 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.886 6.177 4.457 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.807 4.727 4.394 1.00 0.00 C ATOM 1291 C LEU A 84 -3.003 4.212 5.590 1.00 0.00 C ATOM 1292 O LEU A 84 -3.427 3.282 6.274 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.252 4.279 3.041 1.00 0.00 C ATOM 1294 CG LEU A 84 -4.137 4.563 1.825 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.297 4.695 0.554 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.229 3.500 1.683 1.00 0.00 C ATOM 0 H LEU A 84 -3.724 6.652 3.569 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.802 4.288 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.289 4.766 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.063 3.206 3.085 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.636 5.519 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.951 4.897 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.589 5.515 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.752 3.767 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.844 3.725 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.769 2.520 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.853 3.498 2.577 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.856 4.840 5.805 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.988 4.457 6.906 1.00 0.00 C ATOM 1310 C ASN A 85 -1.811 4.375 8.193 1.00 0.00 C ATOM 1311 O ASN A 85 -2.053 3.286 8.712 1.00 0.00 O ATOM 1312 CB ASN A 85 0.121 5.489 7.118 1.00 0.00 C ATOM 1313 CG ASN A 85 1.498 4.876 6.856 1.00 0.00 C ATOM 1314 OD1 ASN A 85 1.979 4.029 7.590 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.103 5.350 5.771 1.00 0.00 N ATOM 0 H ASN A 85 -1.508 5.611 5.236 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.541 3.493 6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.036 6.338 6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.077 5.871 8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.026 5.004 5.510 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.644 6.059 5.200 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.219 5.541 8.672 1.00 0.00 N ATOM 1323 CA LYS A 86 -3.010 5.616 9.889 1.00 0.00 C ATOM 1324 C LYS A 86 -4.231 4.704 9.755 1.00 0.00 C ATOM 1325 O LYS A 86 -4.671 4.102 10.733 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.360 7.070 10.212 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.092 7.731 9.043 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.355 9.211 9.327 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.411 9.379 10.421 1.00 0.00 C ATOM 1330 NZ LYS A 86 -5.578 10.809 10.765 1.00 0.00 N ATOM 0 H LYS A 86 -2.017 6.442 8.239 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.434 5.255 10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.984 7.108 11.105 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.449 7.626 10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.498 7.631 8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.037 7.218 8.864 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.428 9.697 9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.689 9.706 8.415 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.362 8.967 10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.117 8.817 11.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.298 10.905 11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.674 11.192 11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.880 11.336 9.921 1.00 0.00 H new ATOM 1344 N SER A 87 -4.745 4.632 8.535 1.00 0.00 N ATOM 1345 CA SER A 87 -5.907 3.804 8.261 1.00 0.00 C ATOM 1346 C SER A 87 -5.537 2.325 8.386 1.00 0.00 C ATOM 1347 O SER A 87 -6.413 1.462 8.400 1.00 0.00 O ATOM 1348 CB SER A 87 -6.473 4.094 6.869 1.00 0.00 C ATOM 1349 OG SER A 87 -5.984 3.178 5.893 1.00 0.00 O ATOM 0 H SER A 87 -4.378 5.133 7.726 1.00 0.00 H new ATOM 0 HA SER A 87 -6.678 4.042 8.994 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.561 4.042 6.902 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.211 5.111 6.576 1.00 0.00 H new ATOM 0 HG SER A 87 -5.027 3.026 6.038 1.00 0.00 H new ATOM 1355 N GLY A 88 -4.238 2.078 8.475 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.742 0.718 8.599 1.00 0.00 C ATOM 1357 C GLY A 88 -3.748 0.007 7.245 1.00 0.00 C ATOM 1358 O GLY A 88 -3.884 -1.214 7.182 1.00 0.00 O ATOM 0 H GLY A 88 -3.514 2.797 8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.729 0.732 9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.359 0.165 9.307 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.599 0.800 6.195 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.586 0.262 4.845 1.00 0.00 C ATOM 1364 C LEU A 89 -2.162 0.325 4.290 1.00 0.00 C ATOM 1365 O LEU A 89 -1.964 0.619 3.112 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.619 0.978 3.972 1.00 0.00 C ATOM 1367 CG LEU A 89 -5.980 0.291 3.844 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.236 -0.644 5.028 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -7.100 1.320 3.674 1.00 0.00 C ATOM 0 H LEU A 89 -3.486 1.812 6.251 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.881 -0.787 4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.776 1.978 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.200 1.099 2.973 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.968 -0.324 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.210 -1.119 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.460 -1.409 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.220 -0.070 5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.057 0.805 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.122 1.980 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.920 1.909 2.774 1.00 0.00 H new ATOM 1381 N SER A 90 -1.207 0.042 5.164 1.00 0.00 N ATOM 1382 CA SER A 90 0.193 0.063 4.775 1.00 0.00 C ATOM 1383 C SER A 90 0.350 -0.483 3.355 1.00 0.00 C ATOM 1384 O SER A 90 1.074 0.090 2.542 1.00 0.00 O ATOM 1385 CB SER A 90 1.048 -0.746 5.752 1.00 0.00 C ATOM 1386 OG SER A 90 0.627 -2.106 5.830 1.00 0.00 O ATOM 0 H SER A 90 -1.375 -0.203 6.140 1.00 0.00 H new ATOM 0 HA SER A 90 0.539 1.096 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.091 -0.707 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.995 -0.293 6.742 1.00 0.00 H new ATOM 0 HG SER A 90 1.198 -2.590 6.462 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.341 -1.584 3.098 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.288 -2.213 1.790 1.00 0.00 C ATOM 1394 C ASP A 91 -0.440 -1.143 0.707 1.00 0.00 C ATOM 1395 O ASP A 91 0.441 -0.978 -0.136 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.423 -3.224 1.618 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.317 -4.472 2.497 1.00 0.00 C ATOM 1398 OD1 ASP A 91 -1.768 -4.387 3.660 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -0.786 -5.482 1.987 1.00 0.00 O ATOM 0 H ASP A 91 -0.941 -2.057 3.774 1.00 0.00 H new ATOM 0 HA ASP A 91 0.669 -2.727 1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.368 -2.726 1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.457 -3.535 0.574 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.564 -0.444 0.765 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.842 0.606 -0.200 1.00 0.00 C ATOM 1406 C LEU A 92 -0.681 1.602 -0.214 1.00 0.00 C ATOM 1407 O LEU A 92 0.013 1.737 -1.221 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.200 1.250 0.086 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.397 0.650 -0.655 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.653 1.386 -1.971 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.213 -0.854 -0.866 1.00 0.00 C ATOM 0 H LEU A 92 -2.293 -0.584 1.465 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.917 0.189 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.392 1.186 1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.137 2.309 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.284 0.782 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.509 0.939 -2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.860 2.436 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.773 1.308 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.077 -1.256 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.313 -1.031 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.117 -1.348 0.101 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.504 2.273 0.914 1.00 0.00 N ATOM 1424 CA ALA A 93 0.562 3.252 1.044 1.00 0.00 C ATOM 1425 C ALA A 93 1.803 2.749 0.304 1.00 0.00 C ATOM 1426 O ALA A 93 2.248 3.370 -0.660 1.00 0.00 O ATOM 1427 CB ALA A 93 0.834 3.516 2.526 1.00 0.00 C ATOM 0 H ALA A 93 -1.081 2.158 1.747 1.00 0.00 H new ATOM 0 HA ALA A 93 0.270 4.200 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.634 4.250 2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.070 3.899 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.133 2.587 3.012 1.00 0.00 H new ATOM 1433 N GLU A 94 2.326 1.630 0.783 1.00 0.00 N ATOM 1434 CA GLU A 94 3.507 1.037 0.178 1.00 0.00 C ATOM 1435 C GLU A 94 3.275 0.799 -1.316 1.00 0.00 C ATOM 1436 O GLU A 94 4.099 1.185 -2.144 1.00 0.00 O ATOM 1437 CB GLU A 94 3.892 -0.262 0.887 1.00 0.00 C ATOM 1438 CG GLU A 94 4.612 0.026 2.207 1.00 0.00 C ATOM 1439 CD GLU A 94 5.127 -1.266 2.844 1.00 0.00 C ATOM 1440 OE1 GLU A 94 4.271 -2.114 3.179 1.00 0.00 O ATOM 1441 OE2 GLU A 94 6.364 -1.377 2.981 1.00 0.00 O ATOM 0 H GLU A 94 1.954 1.118 1.583 1.00 0.00 H new ATOM 0 HA GLU A 94 4.338 1.733 0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.998 -0.855 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.536 -0.857 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.446 0.706 2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.932 0.528 2.894 1.00 0.00 H new ATOM 1448 N SER A 95 2.151 0.165 -1.614 1.00 0.00 N ATOM 1449 CA SER A 95 1.801 -0.130 -2.993 1.00 0.00 C ATOM 1450 C SER A 95 1.990 1.118 -3.858 1.00 0.00 C ATOM 1451 O SER A 95 2.765 1.104 -4.813 1.00 0.00 O ATOM 1452 CB SER A 95 0.362 -0.638 -3.100 1.00 0.00 C ATOM 1453 OG SER A 95 0.254 -2.014 -2.747 1.00 0.00 O ATOM 0 H SER A 95 1.470 -0.153 -0.924 1.00 0.00 H new ATOM 0 HA SER A 95 2.462 -0.918 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.281 -0.045 -2.449 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.002 -0.496 -4.119 1.00 0.00 H new ATOM 0 HG SER A 95 0.284 -2.105 -1.772 1.00 0.00 H new ATOM 1459 N LEU A 96 1.267 2.167 -3.494 1.00 0.00 N ATOM 1460 CA LEU A 96 1.344 3.420 -4.225 1.00 0.00 C ATOM 1461 C LEU A 96 2.804 3.870 -4.303 1.00 0.00 C ATOM 1462 O LEU A 96 3.393 3.897 -5.383 1.00 0.00 O ATOM 1463 CB LEU A 96 0.412 4.461 -3.603 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.080 4.287 -3.896 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.371 4.480 -5.386 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.585 2.937 -3.384 1.00 0.00 C ATOM 0 H LEU A 96 0.625 2.175 -2.702 1.00 0.00 H new ATOM 0 HA LEU A 96 0.996 3.286 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.554 4.447 -2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.718 5.447 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.627 5.061 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.438 4.351 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.070 5.483 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.813 3.744 -5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.648 2.839 -3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.036 2.133 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.431 2.876 -2.307 1.00 0.00 H new ATOM 1478 N THR A 97 3.347 4.213 -3.144 1.00 0.00 N ATOM 1479 CA THR A 97 4.727 4.661 -3.068 1.00 0.00 C ATOM 1480 C THR A 97 5.606 3.846 -4.018 1.00 0.00 C ATOM 1481 O THR A 97 5.957 4.314 -5.100 1.00 0.00 O ATOM 1482 CB THR A 97 5.172 4.576 -1.606 1.00 0.00 C ATOM 1483 OG1 THR A 97 4.752 3.280 -1.190 1.00 0.00 O ATOM 1484 CG2 THR A 97 4.390 5.530 -0.700 1.00 0.00 C ATOM 0 H THR A 97 2.856 4.190 -2.250 1.00 0.00 H new ATOM 0 HA THR A 97 4.824 5.697 -3.393 1.00 0.00 H new ATOM 0 HB THR A 97 6.236 4.800 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.913 3.353 -0.689 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.745 5.430 0.326 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.539 6.556 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.329 5.284 -0.743 1.00 0.00 H new ATOM 1492 N ASN A 98 5.937 2.640 -3.579 1.00 0.00 N ATOM 1493 CA ASN A 98 6.768 1.755 -4.377 1.00 0.00 C ATOM 1494 C ASN A 98 8.137 2.403 -4.592 1.00 0.00 C ATOM 1495 O ASN A 98 8.333 3.144 -5.553 1.00 0.00 O ATOM 1496 CB ASN A 98 6.143 1.504 -5.752 1.00 0.00 C ATOM 1497 CG ASN A 98 6.113 0.009 -6.075 1.00 0.00 C ATOM 1498 OD1 ASN A 98 6.794 -0.475 -6.964 1.00 0.00 O ATOM 1499 ND2 ASN A 98 5.287 -0.694 -5.305 1.00 0.00 N ATOM 0 H ASN A 98 5.644 2.255 -2.681 1.00 0.00 H new ATOM 0 HA ASN A 98 6.861 0.809 -3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.130 1.905 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.712 2.034 -6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.195 -1.701 -5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.745 -0.226 -4.578 1.00 0.00 H new ATOM 1506 N ASP A 99 9.048 2.101 -3.679 1.00 0.00 N ATOM 1507 CA ASP A 99 10.394 2.645 -3.756 1.00 0.00 C ATOM 1508 C ASP A 99 11.368 1.684 -3.072 1.00 0.00 C ATOM 1509 O ASP A 99 11.489 1.684 -1.847 1.00 0.00 O ATOM 1510 CB ASP A 99 10.483 3.995 -3.043 1.00 0.00 C ATOM 1511 CG ASP A 99 11.778 4.772 -3.288 1.00 0.00 C ATOM 1512 OD1 ASP A 99 12.517 4.366 -4.211 1.00 0.00 O ATOM 1513 OD2 ASP A 99 12.001 5.753 -2.546 1.00 0.00 O ATOM 0 H ASP A 99 8.881 1.487 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 99 10.646 2.775 -4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 99 9.642 4.612 -3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.373 3.831 -1.971 1.00 0.00 H new ATOM 1518 N ASN A 100 12.038 0.887 -3.892 1.00 0.00 N ATOM 1519 CA ASN A 100 12.997 -0.077 -3.381 1.00 0.00 C ATOM 1520 C ASN A 100 13.985 -0.443 -4.490 1.00 0.00 C ATOM 1521 O ASN A 100 13.738 -1.364 -5.267 1.00 0.00 O ATOM 1522 CB ASN A 100 12.300 -1.360 -2.926 1.00 0.00 C ATOM 1523 CG ASN A 100 11.356 -1.085 -1.754 1.00 0.00 C ATOM 1524 OD1 ASN A 100 11.766 -0.929 -0.616 1.00 0.00 O ATOM 1525 ND2 ASN A 100 10.071 -1.034 -2.095 1.00 0.00 N ATOM 0 H ASN A 100 11.935 0.889 -4.907 1.00 0.00 H new ATOM 0 HA ASN A 100 13.509 0.375 -2.532 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.739 -1.788 -3.757 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.046 -2.098 -2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 100 9.361 -0.855 -1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.795 -1.174 -3.067 1.00 0.00 H new ATOM 1532 N GLU A 101 15.084 0.296 -4.529 1.00 0.00 N ATOM 1533 CA GLU A 101 16.110 0.061 -5.530 1.00 0.00 C ATOM 1534 C GLU A 101 15.474 -0.122 -6.909 1.00 0.00 C ATOM 1535 O GLU A 101 15.628 -1.170 -7.534 1.00 0.00 O ATOM 1536 CB GLU A 101 16.971 -1.149 -5.159 1.00 0.00 C ATOM 1537 CG GLU A 101 18.431 -0.926 -5.558 1.00 0.00 C ATOM 1538 CD GLU A 101 19.341 -0.921 -4.328 1.00 0.00 C ATOM 1539 OE1 GLU A 101 18.942 -0.284 -3.330 1.00 0.00 O ATOM 1540 OE2 GLU A 101 20.415 -1.554 -4.415 1.00 0.00 O ATOM 0 H GLU A 101 15.286 1.059 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 101 16.762 0.933 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 101 16.907 -1.330 -4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 101 16.586 -2.040 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 101 18.748 -1.710 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 101 18.526 0.021 -6.089 1.00 0.00 H new ATOM 1547 N THR A 102 14.773 0.915 -7.344 1.00 0.00 N ATOM 1548 CA THR A 102 14.112 0.882 -8.638 1.00 0.00 C ATOM 1549 C THR A 102 14.564 2.065 -9.497 1.00 0.00 C ATOM 1550 O THR A 102 14.377 3.220 -9.117 1.00 0.00 O ATOM 1551 CB THR A 102 12.602 0.847 -8.397 1.00 0.00 C ATOM 1552 OG1 THR A 102 12.323 -0.527 -8.141 1.00 0.00 O ATOM 1553 CG2 THR A 102 11.800 1.161 -9.662 1.00 0.00 C ATOM 0 H THR A 102 14.648 1.783 -6.823 1.00 0.00 H new ATOM 0 HA THR A 102 14.386 -0.011 -9.200 1.00 0.00 H new ATOM 0 HB THR A 102 12.342 1.562 -7.616 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.763 -0.801 -7.309 1.00 0.00 H new ATOM 0 HG21 THR A 102 10.734 1.123 -9.436 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.060 2.157 -10.020 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.034 0.427 -10.433 1.00 0.00 H new ATOM 1561 N ASN A 103 15.149 1.736 -10.639 1.00 0.00 N ATOM 1562 CA ASN A 103 15.628 2.757 -11.556 1.00 0.00 C ATOM 1563 C ASN A 103 16.289 2.084 -12.761 1.00 0.00 C ATOM 1564 O ASN A 103 17.243 1.323 -12.605 1.00 0.00 O ATOM 1565 CB ASN A 103 16.670 3.654 -10.884 1.00 0.00 C ATOM 1566 CG ASN A 103 16.656 5.059 -11.491 1.00 0.00 C ATOM 1567 OD1 ASN A 103 15.690 5.797 -11.388 1.00 0.00 O ATOM 1568 ND2 ASN A 103 17.778 5.385 -12.126 1.00 0.00 N ATOM 0 H ASN A 103 15.302 0.777 -10.951 1.00 0.00 H new ATOM 0 HA ASN A 103 14.775 3.362 -11.864 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.468 3.714 -9.814 1.00 0.00 H new ATOM 0 HB3 ASN A 103 17.661 3.215 -10.997 1.00 0.00 H new ATOM 0 HD21 ASN A 103 17.868 6.301 -12.565 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.549 4.719 -12.174 1.00 0.00 H new ATOM 1575 N SER A 104 15.757 2.390 -13.935 1.00 0.00 N ATOM 1576 CA SER A 104 16.283 1.825 -15.165 1.00 0.00 C ATOM 1577 C SER A 104 16.140 0.302 -15.145 1.00 0.00 C ATOM 1578 O SER A 104 16.293 -0.326 -14.099 1.00 0.00 O ATOM 1579 CB SER A 104 17.748 2.218 -15.369 1.00 0.00 C ATOM 1580 OG SER A 104 17.951 2.899 -16.604 1.00 0.00 O ATOM 0 H SER A 104 14.967 3.022 -14.060 1.00 0.00 H new ATOM 0 HA SER A 104 15.707 2.226 -15.999 1.00 0.00 H new ATOM 0 HB2 SER A 104 18.070 2.856 -14.546 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.370 1.324 -15.342 1.00 0.00 H new ATOM 0 HG SER A 104 18.898 3.134 -16.696 1.00 0.00 H new ATOM 1586 N SER A 105 15.847 -0.248 -16.314 1.00 0.00 N ATOM 1587 CA SER A 105 15.680 -1.686 -16.444 1.00 0.00 C ATOM 1588 C SER A 105 15.579 -2.069 -17.922 1.00 0.00 C ATOM 1589 O SER A 105 14.535 -1.884 -18.545 1.00 0.00 O ATOM 1590 CB SER A 105 14.443 -2.168 -15.685 1.00 0.00 C ATOM 1591 OG SER A 105 14.779 -2.729 -14.418 1.00 0.00 O ATOM 0 H SER A 105 15.721 0.276 -17.180 1.00 0.00 H new ATOM 0 HA SER A 105 16.552 -2.173 -16.008 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.757 -1.333 -15.541 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.918 -2.912 -16.283 1.00 0.00 H new ATOM 0 HG SER A 105 15.373 -2.116 -13.936 1.00 0.00 H new ATOM 1597 N GLY A 106 16.679 -2.597 -18.440 1.00 0.00 N ATOM 1598 CA GLY A 106 16.727 -3.009 -19.833 1.00 0.00 C ATOM 1599 C GLY A 106 17.527 -4.302 -19.995 1.00 0.00 C ATOM 1600 O GLY A 106 18.005 -4.868 -19.013 1.00 0.00 O ATOM 0 H GLY A 106 17.543 -2.749 -17.920 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.714 -3.155 -20.208 1.00 0.00 H new ATOM 0 HA3 GLY A 106 17.179 -2.220 -20.434 1.00 0.00 H new ATOM 1604 N PRO A 107 17.652 -4.744 -21.275 1.00 0.00 N ATOM 1605 CA PRO A 107 18.387 -5.960 -21.579 1.00 0.00 C ATOM 1606 C PRO A 107 19.896 -5.730 -21.474 1.00 0.00 C ATOM 1607 O PRO A 107 20.342 -4.604 -21.261 1.00 0.00 O ATOM 1608 CB PRO A 107 17.941 -6.350 -22.979 1.00 0.00 C ATOM 1609 CG PRO A 107 17.333 -5.097 -23.586 1.00 0.00 C ATOM 1610 CD PRO A 107 17.100 -4.100 -22.463 1.00 0.00 C ATOM 0 HA PRO A 107 18.181 -6.764 -20.872 1.00 0.00 H new ATOM 0 HB2 PRO A 107 18.784 -6.703 -23.573 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.213 -7.161 -22.946 1.00 0.00 H new ATOM 0 HG2 PRO A 107 18.000 -4.675 -24.338 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.395 -5.333 -24.088 1.00 0.00 H new ATOM 0 HD2 PRO A 107 17.597 -3.151 -22.666 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.039 -3.884 -22.339 1.00 0.00 H new ATOM 1618 N SER A 108 20.640 -6.815 -21.629 1.00 0.00 N ATOM 1619 CA SER A 108 22.090 -6.746 -21.555 1.00 0.00 C ATOM 1620 C SER A 108 22.601 -5.570 -22.391 1.00 0.00 C ATOM 1621 O SER A 108 23.165 -4.620 -21.851 1.00 0.00 O ATOM 1622 CB SER A 108 22.729 -8.052 -22.030 1.00 0.00 C ATOM 1623 OG SER A 108 23.950 -8.327 -21.349 1.00 0.00 O ATOM 0 H SER A 108 20.266 -7.747 -21.806 1.00 0.00 H new ATOM 0 HA SER A 108 22.372 -6.593 -20.513 1.00 0.00 H new ATOM 0 HB2 SER A 108 22.032 -8.875 -21.872 1.00 0.00 H new ATOM 0 HB3 SER A 108 22.917 -7.995 -23.102 1.00 0.00 H new ATOM 0 HG SER A 108 24.326 -9.170 -21.679 1.00 0.00 H new ATOM 1629 N SER A 109 22.385 -5.674 -23.694 1.00 0.00 N ATOM 1630 CA SER A 109 22.816 -4.632 -24.609 1.00 0.00 C ATOM 1631 C SER A 109 21.638 -4.168 -25.468 1.00 0.00 C ATOM 1632 O SER A 109 21.250 -4.849 -26.416 1.00 0.00 O ATOM 1633 CB SER A 109 23.962 -5.119 -25.499 1.00 0.00 C ATOM 1634 OG SER A 109 24.964 -4.122 -25.674 1.00 0.00 O ATOM 0 H SER A 109 21.917 -6.464 -24.138 1.00 0.00 H new ATOM 0 HA SER A 109 23.181 -3.791 -24.020 1.00 0.00 H new ATOM 0 HB2 SER A 109 24.410 -6.009 -25.058 1.00 0.00 H new ATOM 0 HB3 SER A 109 23.566 -5.410 -26.472 1.00 0.00 H new ATOM 0 HG SER A 109 25.678 -4.473 -26.246 1.00 0.00 H new ATOM 1640 N GLY A 110 21.101 -3.013 -25.104 1.00 0.00 N ATOM 1641 CA GLY A 110 19.974 -2.451 -25.830 1.00 0.00 C ATOM 1642 C GLY A 110 20.342 -2.179 -27.290 1.00 0.00 C ATOM 1643 O GLY A 110 20.020 -1.121 -27.828 1.00 0.00 O ATOM 0 H GLY A 110 21.425 -2.451 -24.317 1.00 0.00 H new ATOM 0 HA2 GLY A 110 19.129 -3.139 -25.786 1.00 0.00 H new ATOM 0 HA3 GLY A 110 19.655 -1.524 -25.353 1.00 0.00 H new TER 1647 GLY A 110