USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 828 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 31 CYS SG : rot 90:sc= -10.8! USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.116 USER MOD Set 1.3: A 54 SER OG : rot -126:sc= 0.354 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 0.698 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.038 X(o=-0.038,f=-0.16) USER MOD Single : A 14 ASN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -11:sc= 0.452! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.636 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -124:sc= -0.593 (180deg=-2.45!) USER MOD Single : A 46 SER OG : rot 170:sc= -1.31 USER MOD Single : A 47 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-3.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.577 K(o=-0.58,f=-1.7) USER MOD Single : A 69 ASN : amide:sc= -7.67! C(o=-7.7!,f=-9.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN :FLIP amide:sc= -0.205 F(o=-1.1,f=-0.2) USER MOD Single : A 78 HIS : no HE2:sc= -1.04 K(o=-1,f=-2.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.016 K(o=-0.016,f=-1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -38:sc= -2.38! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.173 -1.906 -27.597 1.00 0.00 N ATOM 2 CA GLY A 1 22.964 -2.645 -27.272 1.00 0.00 C ATOM 3 C GLY A 1 21.738 -2.008 -27.929 1.00 0.00 C ATOM 4 O GLY A 1 21.408 -0.856 -27.650 1.00 0.00 O ATOM 0 H1 GLY A 1 24.990 -2.358 -27.139 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.311 -1.903 -28.628 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.084 -0.927 -27.257 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.064 -3.678 -27.606 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.829 -2.671 -26.191 1.00 0.00 H new ATOM 8 N SER A 2 21.097 -2.785 -28.789 1.00 0.00 N ATOM 9 CA SER A 2 19.915 -2.311 -29.488 1.00 0.00 C ATOM 10 C SER A 2 19.205 -3.483 -30.170 1.00 0.00 C ATOM 11 O SER A 2 19.489 -3.799 -31.324 1.00 0.00 O ATOM 12 CB SER A 2 20.276 -1.238 -30.518 1.00 0.00 C ATOM 13 OG SER A 2 21.215 -1.715 -31.478 1.00 0.00 O ATOM 0 H SER A 2 21.374 -3.740 -29.018 1.00 0.00 H new ATOM 0 HA SER A 2 19.243 -1.862 -28.757 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.372 -0.907 -31.029 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.690 -0.369 -30.007 1.00 0.00 H new ATOM 0 HG SER A 2 20.947 -2.607 -31.783 1.00 0.00 H new ATOM 19 N SER A 3 18.295 -4.095 -29.427 1.00 0.00 N ATOM 20 CA SER A 3 17.542 -5.224 -29.945 1.00 0.00 C ATOM 21 C SER A 3 16.393 -5.568 -28.994 1.00 0.00 C ATOM 22 O SER A 3 16.556 -5.521 -27.776 1.00 0.00 O ATOM 23 CB SER A 3 18.446 -6.442 -30.147 1.00 0.00 C ATOM 24 OG SER A 3 17.711 -7.588 -30.567 1.00 0.00 O ATOM 0 H SER A 3 18.062 -3.830 -28.470 1.00 0.00 H new ATOM 0 HA SER A 3 17.131 -4.945 -30.915 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.209 -6.208 -30.890 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.966 -6.666 -29.216 1.00 0.00 H new ATOM 0 HG SER A 3 18.323 -8.344 -30.687 1.00 0.00 H new ATOM 30 N GLY A 4 15.257 -5.905 -29.588 1.00 0.00 N ATOM 31 CA GLY A 4 14.082 -6.256 -28.809 1.00 0.00 C ATOM 32 C GLY A 4 12.800 -5.843 -29.535 1.00 0.00 C ATOM 33 O GLY A 4 12.276 -4.754 -29.306 1.00 0.00 O ATOM 0 H GLY A 4 15.126 -5.942 -30.599 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.070 -7.330 -28.626 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.127 -5.767 -27.836 1.00 0.00 H new ATOM 37 N SER A 5 12.332 -6.734 -30.396 1.00 0.00 N ATOM 38 CA SER A 5 11.122 -6.476 -31.157 1.00 0.00 C ATOM 39 C SER A 5 10.653 -7.759 -31.846 1.00 0.00 C ATOM 40 O SER A 5 11.228 -8.175 -32.851 1.00 0.00 O ATOM 41 CB SER A 5 11.346 -5.371 -32.191 1.00 0.00 C ATOM 42 OG SER A 5 10.212 -5.190 -33.035 1.00 0.00 O ATOM 0 H SER A 5 12.769 -7.636 -30.584 1.00 0.00 H new ATOM 0 HA SER A 5 10.350 -6.139 -30.466 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.569 -4.435 -31.679 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.216 -5.616 -32.800 1.00 0.00 H new ATOM 0 HG SER A 5 10.395 -4.475 -33.680 1.00 0.00 H new ATOM 48 N SER A 6 9.613 -8.352 -31.278 1.00 0.00 N ATOM 49 CA SER A 6 9.060 -9.579 -31.824 1.00 0.00 C ATOM 50 C SER A 6 7.861 -9.260 -32.720 1.00 0.00 C ATOM 51 O SER A 6 7.485 -10.066 -33.570 1.00 0.00 O ATOM 52 CB SER A 6 8.647 -10.542 -30.709 1.00 0.00 C ATOM 53 OG SER A 6 9.755 -10.928 -29.900 1.00 0.00 O ATOM 0 H SER A 6 9.139 -8.005 -30.444 1.00 0.00 H new ATOM 0 HA SER A 6 9.832 -10.066 -32.420 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.889 -10.070 -30.084 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.191 -11.430 -31.147 1.00 0.00 H new ATOM 0 HG SER A 6 9.450 -11.541 -29.199 1.00 0.00 H new ATOM 59 N GLY A 7 7.296 -8.082 -32.500 1.00 0.00 N ATOM 60 CA GLY A 7 6.148 -7.647 -33.277 1.00 0.00 C ATOM 61 C GLY A 7 4.966 -8.600 -33.090 1.00 0.00 C ATOM 62 O GLY A 7 4.874 -9.621 -33.770 1.00 0.00 O ATOM 0 H GLY A 7 7.612 -7.416 -31.795 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.860 -6.640 -32.974 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.416 -7.598 -34.332 1.00 0.00 H new ATOM 66 N SER A 8 4.090 -8.232 -32.166 1.00 0.00 N ATOM 67 CA SER A 8 2.918 -9.042 -31.881 1.00 0.00 C ATOM 68 C SER A 8 1.667 -8.161 -31.855 1.00 0.00 C ATOM 69 O SER A 8 1.687 -7.066 -31.294 1.00 0.00 O ATOM 70 CB SER A 8 3.071 -9.786 -30.553 1.00 0.00 C ATOM 71 OG SER A 8 4.152 -10.715 -30.583 1.00 0.00 O ATOM 0 H SER A 8 4.169 -7.384 -31.605 1.00 0.00 H new ATOM 0 HA SER A 8 2.816 -9.785 -32.672 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.234 -9.066 -29.751 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.145 -10.314 -30.325 1.00 0.00 H new ATOM 0 HG SER A 8 4.218 -11.168 -29.717 1.00 0.00 H new ATOM 77 N PRO A 9 0.582 -8.684 -32.485 1.00 0.00 N ATOM 78 CA PRO A 9 -0.675 -7.957 -32.538 1.00 0.00 C ATOM 79 C PRO A 9 -1.393 -8.004 -31.188 1.00 0.00 C ATOM 80 O PRO A 9 -0.887 -8.588 -30.231 1.00 0.00 O ATOM 81 CB PRO A 9 -1.466 -8.621 -33.655 1.00 0.00 C ATOM 82 CG PRO A 9 -0.821 -9.980 -33.871 1.00 0.00 C ATOM 83 CD PRO A 9 0.522 -9.977 -33.160 1.00 0.00 C ATOM 0 HA PRO A 9 -0.539 -6.895 -32.741 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.516 -8.726 -33.381 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.432 -8.023 -34.566 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.459 -10.772 -33.479 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.689 -10.175 -34.935 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.595 -10.799 -32.448 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.344 -10.093 -33.866 1.00 0.00 H new ATOM 91 N GLY A 10 -2.562 -7.380 -31.154 1.00 0.00 N ATOM 92 CA GLY A 10 -3.355 -7.342 -29.937 1.00 0.00 C ATOM 93 C GLY A 10 -2.797 -6.314 -28.950 1.00 0.00 C ATOM 94 O GLY A 10 -1.583 -6.208 -28.779 1.00 0.00 O ATOM 0 H GLY A 10 -2.979 -6.897 -31.950 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.388 -7.095 -30.180 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.364 -8.329 -29.474 1.00 0.00 H new ATOM 98 N ASN A 11 -3.709 -5.583 -28.328 1.00 0.00 N ATOM 99 CA ASN A 11 -3.323 -4.567 -27.363 1.00 0.00 C ATOM 100 C ASN A 11 -4.474 -4.339 -26.381 1.00 0.00 C ATOM 101 O ASN A 11 -5.058 -3.257 -26.345 1.00 0.00 O ATOM 102 CB ASN A 11 -3.021 -3.237 -28.055 1.00 0.00 C ATOM 103 CG ASN A 11 -2.342 -2.260 -27.093 1.00 0.00 C ATOM 104 OD1 ASN A 11 -2.966 -1.391 -26.506 1.00 0.00 O ATOM 105 ND2 ASN A 11 -1.032 -2.450 -26.965 1.00 0.00 N ATOM 0 H ASN A 11 -4.715 -5.673 -28.473 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.429 -4.915 -26.846 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.378 -3.410 -28.918 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.946 -2.800 -28.430 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.488 -1.849 -26.346 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.572 -3.197 -27.486 1.00 0.00 H new ATOM 112 N ARG A 12 -4.766 -5.376 -25.610 1.00 0.00 N ATOM 113 CA ARG A 12 -5.837 -5.302 -24.631 1.00 0.00 C ATOM 114 C ARG A 12 -5.259 -5.229 -23.216 1.00 0.00 C ATOM 115 O ARG A 12 -4.422 -6.049 -22.841 1.00 0.00 O ATOM 116 CB ARG A 12 -6.763 -6.516 -24.734 1.00 0.00 C ATOM 117 CG ARG A 12 -8.149 -6.107 -25.237 1.00 0.00 C ATOM 118 CD ARG A 12 -8.826 -7.262 -25.978 1.00 0.00 C ATOM 119 NE ARG A 12 -10.296 -7.094 -25.940 1.00 0.00 N ATOM 120 CZ ARG A 12 -11.168 -8.001 -26.403 1.00 0.00 C ATOM 121 NH1 ARG A 12 -10.722 -9.144 -26.941 1.00 0.00 N ATOM 122 NH2 ARG A 12 -12.484 -7.764 -26.327 1.00 0.00 N ATOM 0 H ARG A 12 -4.280 -6.272 -25.643 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.414 -4.401 -24.839 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.329 -7.252 -25.411 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.853 -6.993 -23.758 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.769 -5.797 -24.395 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.060 -5.247 -25.901 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.482 -7.294 -27.012 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.548 -8.211 -25.520 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.669 -6.235 -25.536 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.720 -9.324 -26.998 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.385 -9.835 -27.293 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.823 -6.894 -25.917 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.148 -8.454 -26.679 1.00 0.00 H new ATOM 136 N GLU A 13 -5.728 -4.241 -22.469 1.00 0.00 N ATOM 137 CA GLU A 13 -5.268 -4.051 -21.104 1.00 0.00 C ATOM 138 C GLU A 13 -6.381 -3.442 -20.249 1.00 0.00 C ATOM 139 O GLU A 13 -7.101 -2.553 -20.702 1.00 0.00 O ATOM 140 CB GLU A 13 -4.009 -3.182 -21.065 1.00 0.00 C ATOM 141 CG GLU A 13 -2.754 -4.043 -20.912 1.00 0.00 C ATOM 142 CD GLU A 13 -2.120 -3.848 -19.533 1.00 0.00 C ATOM 143 OE1 GLU A 13 -1.601 -2.735 -19.300 1.00 0.00 O ATOM 144 OE2 GLU A 13 -2.169 -4.816 -18.744 1.00 0.00 O ATOM 0 H GLU A 13 -6.422 -3.563 -22.783 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.010 -5.025 -20.690 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.941 -2.593 -21.979 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.074 -2.477 -20.236 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.010 -5.093 -21.053 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.034 -3.783 -21.688 1.00 0.00 H new ATOM 151 N ASN A 14 -6.487 -3.944 -19.027 1.00 0.00 N ATOM 152 CA ASN A 14 -7.500 -3.460 -18.104 1.00 0.00 C ATOM 153 C ASN A 14 -7.086 -3.805 -16.672 1.00 0.00 C ATOM 154 O ASN A 14 -6.904 -2.914 -15.844 1.00 0.00 O ATOM 155 CB ASN A 14 -8.853 -4.119 -18.377 1.00 0.00 C ATOM 156 CG ASN A 14 -9.994 -3.304 -17.764 1.00 0.00 C ATOM 157 OD1 ASN A 14 -10.474 -2.337 -18.331 1.00 0.00 O ATOM 158 ND2 ASN A 14 -10.399 -3.748 -16.577 1.00 0.00 N ATOM 0 H ASN A 14 -5.888 -4.681 -18.655 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.590 -2.382 -18.237 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.005 -4.213 -19.452 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.860 -5.128 -17.965 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.155 -3.272 -16.085 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.953 -4.564 -16.159 1.00 0.00 H new ATOM 165 N LYS A 15 -6.948 -5.099 -16.426 1.00 0.00 N ATOM 166 CA LYS A 15 -6.559 -5.573 -15.108 1.00 0.00 C ATOM 167 C LYS A 15 -5.078 -5.263 -14.877 1.00 0.00 C ATOM 168 O LYS A 15 -4.377 -4.843 -15.796 1.00 0.00 O ATOM 169 CB LYS A 15 -6.911 -7.053 -14.945 1.00 0.00 C ATOM 170 CG LYS A 15 -7.948 -7.251 -13.838 1.00 0.00 C ATOM 171 CD LYS A 15 -9.316 -6.716 -14.267 1.00 0.00 C ATOM 172 CE LYS A 15 -10.199 -7.841 -14.811 1.00 0.00 C ATOM 173 NZ LYS A 15 -11.485 -7.299 -15.304 1.00 0.00 N ATOM 0 H LYS A 15 -7.098 -5.834 -17.117 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.120 -5.050 -14.333 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.299 -7.444 -15.886 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.011 -7.621 -14.711 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.028 -8.310 -13.595 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.621 -6.740 -12.933 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.808 -6.242 -13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.187 -5.949 -15.030 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.682 -8.358 -15.619 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.384 -8.577 -14.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.072 -8.076 -15.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.984 -6.826 -14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.304 -6.614 -16.065 1.00 0.00 H new ATOM 187 N GLU A 16 -4.646 -5.483 -13.644 1.00 0.00 N ATOM 188 CA GLU A 16 -3.262 -5.233 -13.280 1.00 0.00 C ATOM 189 C GLU A 16 -2.850 -3.820 -13.698 1.00 0.00 C ATOM 190 O GLU A 16 -2.315 -3.623 -14.788 1.00 0.00 O ATOM 191 CB GLU A 16 -2.335 -6.280 -13.900 1.00 0.00 C ATOM 192 CG GLU A 16 -2.261 -7.534 -13.025 1.00 0.00 C ATOM 193 CD GLU A 16 -1.655 -8.707 -13.798 1.00 0.00 C ATOM 194 OE1 GLU A 16 -0.635 -8.471 -14.481 1.00 0.00 O ATOM 195 OE2 GLU A 16 -2.226 -9.813 -13.689 1.00 0.00 O ATOM 0 H GLU A 16 -5.230 -5.832 -12.884 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.172 -5.311 -12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.695 -6.546 -14.894 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.337 -5.859 -14.024 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.660 -7.329 -12.139 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.260 -7.799 -12.678 1.00 0.00 H new ATOM 202 N LYS A 17 -3.116 -2.874 -12.810 1.00 0.00 N ATOM 203 CA LYS A 17 -2.779 -1.485 -13.073 1.00 0.00 C ATOM 204 C LYS A 17 -1.686 -1.037 -12.102 1.00 0.00 C ATOM 205 O LYS A 17 -1.520 -1.624 -11.033 1.00 0.00 O ATOM 206 CB LYS A 17 -4.035 -0.612 -13.030 1.00 0.00 C ATOM 207 CG LYS A 17 -4.507 -0.401 -11.590 1.00 0.00 C ATOM 208 CD LYS A 17 -5.377 0.853 -11.476 1.00 0.00 C ATOM 209 CE LYS A 17 -6.857 0.485 -11.359 1.00 0.00 C ATOM 210 NZ LYS A 17 -7.694 1.467 -12.083 1.00 0.00 N ATOM 0 H LYS A 17 -3.561 -3.042 -11.908 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.376 -1.375 -14.080 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.828 0.353 -13.494 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.829 -1.081 -13.612 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.072 -1.272 -11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.644 -0.310 -10.930 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.073 1.433 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.224 1.487 -12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.023 -0.513 -11.765 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.148 0.454 -10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.696 1.202 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.548 2.413 -11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.427 1.477 -13.088 1.00 0.00 H new ATOM 224 N LYS A 18 -0.966 0.000 -12.507 1.00 0.00 N ATOM 225 CA LYS A 18 0.107 0.533 -11.686 1.00 0.00 C ATOM 226 C LYS A 18 -0.312 1.895 -11.129 1.00 0.00 C ATOM 227 O LYS A 18 -0.651 2.802 -11.888 1.00 0.00 O ATOM 228 CB LYS A 18 1.418 0.568 -12.474 1.00 0.00 C ATOM 229 CG LYS A 18 2.503 1.321 -11.702 1.00 0.00 C ATOM 230 CD LYS A 18 2.768 2.692 -12.325 1.00 0.00 C ATOM 231 CE LYS A 18 3.595 2.562 -13.606 1.00 0.00 C ATOM 232 NZ LYS A 18 3.512 3.804 -14.406 1.00 0.00 N ATOM 0 H LYS A 18 -1.106 0.485 -13.393 1.00 0.00 H new ATOM 0 HA LYS A 18 0.293 -0.118 -10.832 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.751 -0.450 -12.677 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.254 1.048 -13.439 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.197 1.443 -10.663 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.423 0.736 -11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.821 3.183 -12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.295 3.324 -11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.635 2.353 -13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.234 1.719 -14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.079 3.698 -15.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.521 3.987 -14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.878 4.602 -13.848 1.00 0.00 H new ATOM 246 N VAL A 19 -0.274 1.995 -9.809 1.00 0.00 N ATOM 247 CA VAL A 19 -0.646 3.232 -9.141 1.00 0.00 C ATOM 248 C VAL A 19 0.517 3.702 -8.264 1.00 0.00 C ATOM 249 O VAL A 19 0.903 3.016 -7.319 1.00 0.00 O ATOM 250 CB VAL A 19 -1.944 3.033 -8.357 1.00 0.00 C ATOM 251 CG1 VAL A 19 -3.165 3.234 -9.257 1.00 0.00 C ATOM 252 CG2 VAL A 19 -1.976 1.657 -7.689 1.00 0.00 C ATOM 0 H VAL A 19 0.008 1.241 -9.183 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.841 4.017 -9.871 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.979 3.788 -7.571 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.075 3.087 -8.675 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.154 4.245 -9.664 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.137 2.514 -10.074 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.909 1.542 -7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.906 0.881 -8.451 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.135 1.567 -7.001 1.00 0.00 H new ATOM 262 N PHE A 20 1.042 4.868 -8.609 1.00 0.00 N ATOM 263 CA PHE A 20 2.152 5.438 -7.864 1.00 0.00 C ATOM 264 C PHE A 20 1.652 6.393 -6.778 1.00 0.00 C ATOM 265 O PHE A 20 1.091 7.445 -7.082 1.00 0.00 O ATOM 266 CB PHE A 20 3.004 6.223 -8.863 1.00 0.00 C ATOM 267 CG PHE A 20 4.511 6.080 -8.643 1.00 0.00 C ATOM 268 CD1 PHE A 20 5.042 6.299 -7.411 1.00 0.00 C ATOM 269 CD2 PHE A 20 5.320 5.733 -9.680 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.441 6.166 -7.207 1.00 0.00 C ATOM 271 CE2 PHE A 20 6.719 5.600 -9.476 1.00 0.00 C ATOM 272 CZ PHE A 20 7.250 5.820 -8.244 1.00 0.00 C ATOM 0 H PHE A 20 0.720 5.434 -9.394 1.00 0.00 H new ATOM 0 HA PHE A 20 2.720 4.645 -7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.761 5.890 -9.872 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.737 7.278 -8.802 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.400 6.574 -6.587 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.898 5.559 -10.659 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.863 6.340 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.361 5.324 -10.299 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.314 5.720 -8.089 1.00 0.00 H new ATOM 282 N ILE A 21 1.872 5.992 -5.535 1.00 0.00 N ATOM 283 CA ILE A 21 1.451 6.798 -4.402 1.00 0.00 C ATOM 284 C ILE A 21 2.632 7.638 -3.912 1.00 0.00 C ATOM 285 O ILE A 21 3.660 7.095 -3.510 1.00 0.00 O ATOM 286 CB ILE A 21 0.832 5.915 -3.317 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.457 5.258 -3.813 1.00 0.00 C ATOM 288 CG2 ILE A 21 0.612 6.707 -2.026 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.580 6.288 -3.950 1.00 0.00 C ATOM 0 H ILE A 21 2.337 5.119 -5.287 1.00 0.00 H new ATOM 0 HA ILE A 21 0.667 7.494 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 21 1.534 5.113 -3.088 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.278 4.779 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.760 4.474 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.171 6.056 -1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.568 7.087 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.060 7.543 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.485 5.795 -4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.773 6.747 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.283 7.057 -4.663 1.00 0.00 H new ATOM 301 N SER A 22 2.446 8.949 -3.962 1.00 0.00 N ATOM 302 CA SER A 22 3.483 9.869 -3.528 1.00 0.00 C ATOM 303 C SER A 22 3.031 10.612 -2.270 1.00 0.00 C ATOM 304 O SER A 22 1.982 11.253 -2.266 1.00 0.00 O ATOM 305 CB SER A 22 3.834 10.866 -4.635 1.00 0.00 C ATOM 306 OG SER A 22 3.015 12.031 -4.584 1.00 0.00 O ATOM 0 H SER A 22 1.592 9.396 -4.297 1.00 0.00 H new ATOM 0 HA SER A 22 4.378 9.291 -3.299 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.881 11.155 -4.544 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.719 10.385 -5.606 1.00 0.00 H new ATOM 0 HG SER A 22 2.276 11.884 -3.957 1.00 0.00 H new ATOM 312 N LEU A 23 3.846 10.500 -1.231 1.00 0.00 N ATOM 313 CA LEU A 23 3.543 11.153 0.032 1.00 0.00 C ATOM 314 C LEU A 23 4.319 12.469 0.120 1.00 0.00 C ATOM 315 O LEU A 23 5.002 12.725 1.110 1.00 0.00 O ATOM 316 CB LEU A 23 3.806 10.204 1.202 1.00 0.00 C ATOM 317 CG LEU A 23 2.692 9.203 1.518 1.00 0.00 C ATOM 318 CD1 LEU A 23 1.382 9.925 1.839 1.00 0.00 C ATOM 319 CD2 LEU A 23 2.526 8.192 0.382 1.00 0.00 C ATOM 0 H LEU A 23 4.716 9.967 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 23 2.484 11.403 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.719 9.647 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.994 10.802 2.094 1.00 0.00 H new ATOM 0 HG LEU A 23 2.977 8.643 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.607 9.191 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.526 10.572 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.079 10.527 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.728 7.492 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.273 8.718 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.458 7.645 0.243 1.00 0.00 H new ATOM 331 N VAL A 24 4.189 13.267 -0.929 1.00 0.00 N ATOM 332 CA VAL A 24 4.870 14.550 -0.983 1.00 0.00 C ATOM 333 C VAL A 24 3.841 15.660 -1.209 1.00 0.00 C ATOM 334 O VAL A 24 2.684 15.384 -1.522 1.00 0.00 O ATOM 335 CB VAL A 24 5.961 14.518 -2.054 1.00 0.00 C ATOM 336 CG1 VAL A 24 6.812 13.253 -1.933 1.00 0.00 C ATOM 337 CG2 VAL A 24 5.358 14.642 -3.455 1.00 0.00 C ATOM 0 H VAL A 24 3.622 13.050 -1.749 1.00 0.00 H new ATOM 0 HA VAL A 24 5.369 14.758 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 24 6.613 15.376 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.580 13.256 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.285 13.226 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.178 12.375 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.155 14.617 -4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.672 13.813 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.817 15.585 -3.536 1.00 0.00 H new ATOM 347 N GLY A 25 4.300 16.891 -1.043 1.00 0.00 N ATOM 348 CA GLY A 25 3.435 18.044 -1.226 1.00 0.00 C ATOM 349 C GLY A 25 2.363 18.103 -0.135 1.00 0.00 C ATOM 350 O GLY A 25 1.171 18.159 -0.433 1.00 0.00 O ATOM 0 H GLY A 25 5.261 17.116 -0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.030 18.957 -1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.960 17.995 -2.206 1.00 0.00 H new ATOM 354 N SER A 26 2.826 18.088 1.106 1.00 0.00 N ATOM 355 CA SER A 26 1.922 18.139 2.243 1.00 0.00 C ATOM 356 C SER A 26 0.689 17.277 1.970 1.00 0.00 C ATOM 357 O SER A 26 -0.394 17.800 1.711 1.00 0.00 O ATOM 358 CB SER A 26 1.506 19.579 2.551 1.00 0.00 C ATOM 359 OG SER A 26 2.233 20.122 3.650 1.00 0.00 O ATOM 0 H SER A 26 3.815 18.041 1.350 1.00 0.00 H new ATOM 0 HA SER A 26 2.446 17.746 3.115 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.666 20.199 1.669 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.439 19.609 2.772 1.00 0.00 H new ATOM 0 HG SER A 26 1.940 21.043 3.814 1.00 0.00 H new ATOM 365 N ARG A 27 0.893 15.969 2.037 1.00 0.00 N ATOM 366 CA ARG A 27 -0.189 15.029 1.800 1.00 0.00 C ATOM 367 C ARG A 27 -0.025 13.796 2.690 1.00 0.00 C ATOM 368 O ARG A 27 1.037 13.584 3.274 1.00 0.00 O ATOM 369 CB ARG A 27 -0.227 14.591 0.335 1.00 0.00 C ATOM 370 CG ARG A 27 -1.192 15.460 -0.473 1.00 0.00 C ATOM 371 CD ARG A 27 -2.313 14.615 -1.082 1.00 0.00 C ATOM 372 NE ARG A 27 -3.360 15.495 -1.647 1.00 0.00 N ATOM 373 CZ ARG A 27 -4.321 16.081 -0.921 1.00 0.00 C ATOM 374 NH1 ARG A 27 -4.374 15.884 0.404 1.00 0.00 N ATOM 375 NH2 ARG A 27 -5.230 16.864 -1.518 1.00 0.00 N ATOM 0 H ARG A 27 1.792 15.538 2.252 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.125 15.533 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.773 14.657 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.533 13.547 0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.620 16.229 0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.648 15.974 -1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.910 13.969 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.744 13.965 -0.321 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.349 15.666 -2.652 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.683 15.288 0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.106 16.330 0.957 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.190 17.014 -2.526 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.961 17.310 -0.964 1.00 0.00 H new ATOM 389 N GLY A 28 -1.092 13.014 2.766 1.00 0.00 N ATOM 390 CA GLY A 28 -1.080 11.807 3.575 1.00 0.00 C ATOM 391 C GLY A 28 -2.116 10.800 3.073 1.00 0.00 C ATOM 392 O GLY A 28 -3.199 11.184 2.636 1.00 0.00 O ATOM 0 H GLY A 28 -1.971 13.193 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.088 11.357 3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.287 12.060 4.615 1.00 0.00 H new ATOM 396 N LEU A 29 -1.745 9.530 3.151 1.00 0.00 N ATOM 397 CA LEU A 29 -2.629 8.464 2.710 1.00 0.00 C ATOM 398 C LEU A 29 -3.902 8.478 3.559 1.00 0.00 C ATOM 399 O LEU A 29 -3.856 8.793 4.747 1.00 0.00 O ATOM 400 CB LEU A 29 -1.896 7.121 2.723 1.00 0.00 C ATOM 401 CG LEU A 29 -2.663 5.933 2.137 1.00 0.00 C ATOM 402 CD1 LEU A 29 -2.319 5.734 0.660 1.00 0.00 C ATOM 403 CD2 LEU A 29 -2.420 4.665 2.958 1.00 0.00 C ATOM 0 H LEU A 29 -0.845 9.215 3.513 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.934 8.625 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.963 7.233 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.631 6.884 3.753 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.729 6.153 2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.877 4.884 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.584 6.631 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.250 5.545 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.976 3.836 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.356 4.429 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.754 4.825 3.983 1.00 0.00 H new ATOM 415 N GLY A 30 -5.008 8.134 2.916 1.00 0.00 N ATOM 416 CA GLY A 30 -6.291 8.103 3.597 1.00 0.00 C ATOM 417 C GLY A 30 -7.088 6.856 3.207 1.00 0.00 C ATOM 418 O GLY A 30 -8.307 6.919 3.050 1.00 0.00 O ATOM 0 H GLY A 30 -5.042 7.874 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.135 8.117 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.862 8.997 3.346 1.00 0.00 H new ATOM 422 N CYS A 31 -6.368 5.754 3.062 1.00 0.00 N ATOM 423 CA CYS A 31 -6.994 4.495 2.694 1.00 0.00 C ATOM 424 C CYS A 31 -6.564 3.431 3.706 1.00 0.00 C ATOM 425 O CYS A 31 -5.418 3.421 4.153 1.00 0.00 O ATOM 426 CB CYS A 31 -6.648 4.090 1.260 1.00 0.00 C ATOM 427 SG CYS A 31 -4.832 4.070 1.035 1.00 0.00 S ATOM 0 H CYS A 31 -5.358 5.706 3.192 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.078 4.604 2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.060 3.105 1.042 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.102 4.788 0.557 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.372 2.888 1.322 1.00 0.00 H new ATOM 433 N SER A 32 -7.507 2.561 4.038 1.00 0.00 N ATOM 434 CA SER A 32 -7.240 1.495 4.990 1.00 0.00 C ATOM 435 C SER A 32 -7.018 0.176 4.248 1.00 0.00 C ATOM 436 O SER A 32 -7.737 -0.137 3.301 1.00 0.00 O ATOM 437 CB SER A 32 -8.386 1.354 5.993 1.00 0.00 C ATOM 438 OG SER A 32 -7.939 1.499 7.338 1.00 0.00 O ATOM 0 H SER A 32 -8.456 2.572 3.665 1.00 0.00 H new ATOM 0 HA SER A 32 -6.337 1.749 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.148 2.105 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.857 0.379 5.871 1.00 0.00 H new ATOM 0 HG SER A 32 -8.700 1.404 7.948 1.00 0.00 H new ATOM 444 N ILE A 33 -6.018 -0.563 4.707 1.00 0.00 N ATOM 445 CA ILE A 33 -5.692 -1.841 4.100 1.00 0.00 C ATOM 446 C ILE A 33 -6.099 -2.971 5.048 1.00 0.00 C ATOM 447 O ILE A 33 -6.055 -2.809 6.267 1.00 0.00 O ATOM 448 CB ILE A 33 -4.217 -1.881 3.693 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.309 -1.629 4.899 1.00 0.00 C ATOM 450 CG2 ILE A 33 -3.937 -0.903 2.551 1.00 0.00 C ATOM 451 CD1 ILE A 33 -1.990 -2.391 4.760 1.00 0.00 C ATOM 0 H ILE A 33 -5.423 -0.300 5.493 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.257 -1.979 3.178 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.991 -2.881 3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.109 -0.562 4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.817 -1.938 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.882 -0.951 2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.545 -1.169 1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.184 0.110 2.870 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.363 -2.195 5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.193 -3.460 4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.473 -2.062 3.859 1.00 0.00 H new ATOM 463 N SER A 34 -6.485 -4.090 4.453 1.00 0.00 N ATOM 464 CA SER A 34 -6.899 -5.246 5.230 1.00 0.00 C ATOM 465 C SER A 34 -6.334 -6.524 4.608 1.00 0.00 C ATOM 466 O SER A 34 -6.259 -6.643 3.387 1.00 0.00 O ATOM 467 CB SER A 34 -8.424 -5.330 5.322 1.00 0.00 C ATOM 468 OG SER A 34 -8.994 -4.132 5.844 1.00 0.00 O ATOM 0 H SER A 34 -6.520 -4.221 3.442 1.00 0.00 H new ATOM 0 HA SER A 34 -6.506 -5.137 6.241 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.837 -5.527 4.332 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.703 -6.171 5.957 1.00 0.00 H new ATOM 0 HG SER A 34 -9.969 -4.225 5.886 1.00 0.00 H new ATOM 474 N SER A 35 -5.952 -7.448 5.478 1.00 0.00 N ATOM 475 CA SER A 35 -5.396 -8.713 5.029 1.00 0.00 C ATOM 476 C SER A 35 -6.523 -9.675 4.648 1.00 0.00 C ATOM 477 O SER A 35 -7.614 -9.612 5.212 1.00 0.00 O ATOM 478 CB SER A 35 -4.507 -9.338 6.107 1.00 0.00 C ATOM 479 OG SER A 35 -4.457 -10.758 6.001 1.00 0.00 O ATOM 0 H SER A 35 -6.017 -7.346 6.491 1.00 0.00 H new ATOM 0 HA SER A 35 -4.778 -8.522 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.498 -8.933 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.883 -9.061 7.092 1.00 0.00 H new ATOM 0 HG SER A 35 -3.879 -11.118 6.705 1.00 0.00 H new ATOM 485 N GLY A 36 -6.220 -10.542 3.694 1.00 0.00 N ATOM 486 CA GLY A 36 -7.195 -11.516 3.231 1.00 0.00 C ATOM 487 C GLY A 36 -7.062 -12.833 3.998 1.00 0.00 C ATOM 488 O GLY A 36 -6.151 -12.994 4.809 1.00 0.00 O ATOM 0 H GLY A 36 -5.314 -10.591 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.201 -11.117 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.056 -11.696 2.165 1.00 0.00 H new ATOM 492 N PRO A 37 -8.009 -13.765 3.708 1.00 0.00 N ATOM 493 CA PRO A 37 -8.006 -15.063 4.362 1.00 0.00 C ATOM 494 C PRO A 37 -6.901 -15.958 3.798 1.00 0.00 C ATOM 495 O PRO A 37 -6.072 -15.506 3.010 1.00 0.00 O ATOM 496 CB PRO A 37 -9.400 -15.622 4.132 1.00 0.00 C ATOM 497 CG PRO A 37 -9.980 -14.831 2.970 1.00 0.00 C ATOM 498 CD PRO A 37 -9.103 -13.609 2.754 1.00 0.00 C ATOM 0 HA PRO A 37 -7.789 -14.997 5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.361 -16.686 3.899 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.016 -15.514 5.024 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.010 -15.443 2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.005 -14.531 3.186 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.732 -13.564 1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.657 -12.687 2.934 1.00 0.00 H new ATOM 506 N ILE A 38 -6.926 -17.213 4.223 1.00 0.00 N ATOM 507 CA ILE A 38 -5.937 -18.176 3.769 1.00 0.00 C ATOM 508 C ILE A 38 -6.221 -18.545 2.312 1.00 0.00 C ATOM 509 O ILE A 38 -5.302 -18.861 1.557 1.00 0.00 O ATOM 510 CB ILE A 38 -5.893 -19.382 4.711 1.00 0.00 C ATOM 511 CG1 ILE A 38 -4.941 -20.456 4.181 1.00 0.00 C ATOM 512 CG2 ILE A 38 -7.298 -19.934 4.961 1.00 0.00 C ATOM 513 CD1 ILE A 38 -3.597 -20.406 4.912 1.00 0.00 C ATOM 0 H ILE A 38 -7.615 -17.585 4.877 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.939 -17.739 3.799 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.502 -19.051 5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.391 -21.441 4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.783 -20.312 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.238 -20.790 5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.918 -19.160 5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.740 -20.246 4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.939 -21.179 4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.138 -19.428 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.756 -20.574 5.977 1.00 0.00 H new ATOM 525 N GLN A 39 -7.497 -18.491 1.959 1.00 0.00 N ATOM 526 CA GLN A 39 -7.913 -18.815 0.605 1.00 0.00 C ATOM 527 C GLN A 39 -7.602 -17.652 -0.339 1.00 0.00 C ATOM 528 O GLN A 39 -7.327 -17.862 -1.519 1.00 0.00 O ATOM 529 CB GLN A 39 -9.400 -19.175 0.559 1.00 0.00 C ATOM 530 CG GLN A 39 -10.267 -17.971 0.931 1.00 0.00 C ATOM 531 CD GLN A 39 -11.663 -18.416 1.372 1.00 0.00 C ATOM 532 OE1 GLN A 39 -12.422 -19.004 0.619 1.00 0.00 O ATOM 533 NE2 GLN A 39 -11.958 -18.103 2.631 1.00 0.00 N ATOM 0 H GLN A 39 -8.256 -18.228 2.587 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.351 -19.688 0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.663 -19.522 -0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.600 -19.998 1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.790 -17.409 1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.349 -17.299 0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.276 -17.610 3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.866 -18.356 3.020 1.00 0.00 H new ATOM 542 N LYS A 40 -7.655 -16.451 0.217 1.00 0.00 N ATOM 543 CA LYS A 40 -7.382 -15.254 -0.561 1.00 0.00 C ATOM 544 C LYS A 40 -6.510 -14.304 0.263 1.00 0.00 C ATOM 545 O LYS A 40 -6.924 -13.188 0.574 1.00 0.00 O ATOM 546 CB LYS A 40 -8.687 -14.623 -1.049 1.00 0.00 C ATOM 547 CG LYS A 40 -8.417 -13.325 -1.813 1.00 0.00 C ATOM 548 CD LYS A 40 -8.907 -13.427 -3.259 1.00 0.00 C ATOM 549 CE LYS A 40 -9.595 -12.133 -3.697 1.00 0.00 C ATOM 550 NZ LYS A 40 -10.838 -12.434 -4.441 1.00 0.00 N ATOM 0 H LYS A 40 -7.883 -16.281 1.197 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.820 -15.504 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.216 -15.325 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.337 -14.420 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.916 -12.495 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.349 -13.108 -1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.065 -13.636 -3.918 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.601 -14.262 -3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.825 -11.523 -2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.921 -11.550 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.801 -11.981 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.932 -13.463 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.656 -12.070 -3.912 1.00 0.00 H new ATOM 564 N PRO A 41 -5.287 -14.794 0.601 1.00 0.00 N ATOM 565 CA PRO A 41 -4.353 -14.001 1.383 1.00 0.00 C ATOM 566 C PRO A 41 -3.715 -12.904 0.527 1.00 0.00 C ATOM 567 O PRO A 41 -3.488 -13.096 -0.666 1.00 0.00 O ATOM 568 CB PRO A 41 -3.341 -15.000 1.919 1.00 0.00 C ATOM 569 CG PRO A 41 -3.473 -16.237 1.045 1.00 0.00 C ATOM 570 CD PRO A 41 -4.763 -16.111 0.250 1.00 0.00 C ATOM 0 HA PRO A 41 -4.837 -13.467 2.201 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.330 -14.595 1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.542 -15.237 2.964 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.618 -16.323 0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.489 -17.138 1.658 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.578 -16.191 -0.821 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.468 -16.900 0.511 1.00 0.00 H new ATOM 578 N GLY A 42 -3.445 -11.778 1.171 1.00 0.00 N ATOM 579 CA GLY A 42 -2.838 -10.651 0.484 1.00 0.00 C ATOM 580 C GLY A 42 -3.244 -9.328 1.137 1.00 0.00 C ATOM 581 O GLY A 42 -3.774 -9.317 2.247 1.00 0.00 O ATOM 0 H GLY A 42 -3.635 -11.622 2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.753 -10.751 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.141 -10.652 -0.563 1.00 0.00 H new ATOM 585 N ILE A 43 -2.979 -8.246 0.421 1.00 0.00 N ATOM 586 CA ILE A 43 -3.309 -6.920 0.917 1.00 0.00 C ATOM 587 C ILE A 43 -4.391 -6.304 0.028 1.00 0.00 C ATOM 588 O ILE A 43 -4.179 -6.105 -1.167 1.00 0.00 O ATOM 589 CB ILE A 43 -2.048 -6.062 1.036 1.00 0.00 C ATOM 590 CG1 ILE A 43 -1.003 -6.743 1.922 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.388 -4.654 1.528 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.391 -6.647 3.399 1.00 0.00 C ATOM 0 H ILE A 43 -2.539 -8.260 -0.499 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.720 -6.981 1.925 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.610 -5.959 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.904 -7.790 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.030 -6.277 1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.474 -4.065 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.070 -4.177 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.862 -4.715 2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.632 -7.139 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.465 -5.599 3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.353 -7.135 3.555 1.00 0.00 H new ATOM 604 N PHE A 44 -5.528 -6.018 0.646 1.00 0.00 N ATOM 605 CA PHE A 44 -6.644 -5.428 -0.074 1.00 0.00 C ATOM 606 C PHE A 44 -7.171 -4.189 0.653 1.00 0.00 C ATOM 607 O PHE A 44 -7.206 -4.154 1.882 1.00 0.00 O ATOM 608 CB PHE A 44 -7.750 -6.483 -0.127 1.00 0.00 C ATOM 609 CG PHE A 44 -7.259 -7.882 -0.506 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.449 -8.571 0.342 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.631 -8.436 -1.691 1.00 0.00 C ATOM 612 CE1 PHE A 44 -5.993 -9.869 -0.010 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.175 -9.733 -2.043 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.365 -10.423 -1.195 1.00 0.00 C ATOM 0 H PHE A 44 -5.700 -6.184 1.638 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.325 -5.123 -1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.238 -6.532 0.846 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.505 -6.167 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.153 -8.131 1.283 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.274 -7.889 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.350 -10.416 0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.471 -10.172 -2.984 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.018 -11.410 -1.463 1.00 0.00 H new ATOM 624 N ILE A 45 -7.569 -3.203 -0.138 1.00 0.00 N ATOM 625 CA ILE A 45 -8.094 -1.966 0.415 1.00 0.00 C ATOM 626 C ILE A 45 -9.409 -2.254 1.141 1.00 0.00 C ATOM 627 O ILE A 45 -10.138 -3.173 0.771 1.00 0.00 O ATOM 628 CB ILE A 45 -8.214 -0.900 -0.677 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.841 -0.333 -1.042 1.00 0.00 C ATOM 630 CG2 ILE A 45 -9.197 0.197 -0.265 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.980 0.960 -1.850 1.00 0.00 C ATOM 0 H ILE A 45 -7.538 -3.236 -1.157 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.405 -1.556 1.154 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.616 -1.372 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.270 -0.139 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.281 -1.069 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.264 0.942 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.180 -0.241 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.848 0.673 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.990 1.343 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.530 0.757 -2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.519 1.701 -1.260 1.00 0.00 H new ATOM 643 N SER A 46 -9.673 -1.450 2.161 1.00 0.00 N ATOM 644 CA SER A 46 -10.888 -1.607 2.942 1.00 0.00 C ATOM 645 C SER A 46 -11.735 -0.336 2.854 1.00 0.00 C ATOM 646 O SER A 46 -12.958 -0.407 2.744 1.00 0.00 O ATOM 647 CB SER A 46 -10.566 -1.930 4.403 1.00 0.00 C ATOM 648 OG SER A 46 -10.605 -0.769 5.227 1.00 0.00 O ATOM 0 H SER A 46 -9.066 -0.688 2.464 1.00 0.00 H new ATOM 0 HA SER A 46 -11.454 -2.442 2.529 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.279 -2.665 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.577 -2.385 4.464 1.00 0.00 H new ATOM 0 HG SER A 46 -10.555 -1.035 6.169 1.00 0.00 H new ATOM 654 N HIS A 47 -11.051 0.797 2.905 1.00 0.00 N ATOM 655 CA HIS A 47 -11.725 2.082 2.832 1.00 0.00 C ATOM 656 C HIS A 47 -10.747 3.147 2.332 1.00 0.00 C ATOM 657 O HIS A 47 -9.543 3.047 2.562 1.00 0.00 O ATOM 658 CB HIS A 47 -12.355 2.442 4.179 1.00 0.00 C ATOM 659 CG HIS A 47 -13.256 3.653 4.132 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.792 4.922 3.829 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.597 3.776 4.350 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.816 5.761 3.867 1.00 0.00 C ATOM 663 NE2 HIS A 47 -14.933 5.050 4.191 1.00 0.00 N ATOM 0 H HIS A 47 -10.037 0.852 2.996 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.545 2.026 2.116 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.929 1.589 4.540 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.561 2.621 4.904 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.271 2.973 4.608 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.774 6.823 3.675 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.872 5.434 4.294 1.00 0.00 H new ATOM 671 N VAL A 48 -11.301 4.143 1.655 1.00 0.00 N ATOM 672 CA VAL A 48 -10.493 5.225 1.120 1.00 0.00 C ATOM 673 C VAL A 48 -11.329 6.505 1.074 1.00 0.00 C ATOM 674 O VAL A 48 -12.468 6.491 0.610 1.00 0.00 O ATOM 675 CB VAL A 48 -9.929 4.830 -0.246 1.00 0.00 C ATOM 676 CG1 VAL A 48 -10.946 4.011 -1.044 1.00 0.00 C ATOM 677 CG2 VAL A 48 -9.482 6.065 -1.032 1.00 0.00 C ATOM 0 H VAL A 48 -12.300 4.223 1.465 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.637 5.419 1.767 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.053 4.204 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.519 3.743 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.195 3.104 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.849 4.602 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.085 5.757 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.334 6.728 -1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.708 6.591 -0.473 1.00 0.00 H new ATOM 687 N LYS A 49 -10.731 7.582 1.563 1.00 0.00 N ATOM 688 CA LYS A 49 -11.407 8.869 1.584 1.00 0.00 C ATOM 689 C LYS A 49 -11.533 9.397 0.153 1.00 0.00 C ATOM 690 O LYS A 49 -10.631 9.211 -0.663 1.00 0.00 O ATOM 691 CB LYS A 49 -10.694 9.832 2.534 1.00 0.00 C ATOM 692 CG LYS A 49 -11.584 10.183 3.729 1.00 0.00 C ATOM 693 CD LYS A 49 -10.761 10.787 4.868 1.00 0.00 C ATOM 694 CE LYS A 49 -11.107 10.128 6.204 1.00 0.00 C ATOM 695 NZ LYS A 49 -11.157 11.139 7.284 1.00 0.00 N ATOM 0 H LYS A 49 -9.786 7.590 1.948 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.419 8.762 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.767 9.381 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.422 10.742 1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.354 10.889 3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.096 9.287 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.698 10.660 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.948 11.859 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.069 9.621 6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.364 9.367 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.393 10.674 8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.231 11.604 7.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.882 11.850 7.061 1.00 0.00 H new ATOM 709 N PRO A 50 -12.688 10.063 -0.114 1.00 0.00 N ATOM 710 CA PRO A 50 -12.943 10.619 -1.432 1.00 0.00 C ATOM 711 C PRO A 50 -12.119 11.888 -1.661 1.00 0.00 C ATOM 712 O PRO A 50 -12.674 12.977 -1.796 1.00 0.00 O ATOM 713 CB PRO A 50 -14.442 10.870 -1.469 1.00 0.00 C ATOM 714 CG PRO A 50 -14.899 10.882 -0.019 1.00 0.00 C ATOM 715 CD PRO A 50 -13.778 10.302 0.827 1.00 0.00 C ATOM 0 HA PRO A 50 -12.644 9.947 -2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -14.667 11.818 -1.957 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.955 10.091 -2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.131 11.898 0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -15.810 10.295 0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.477 10.994 1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.088 9.379 1.316 1.00 0.00 H new ATOM 723 N GLY A 51 -10.807 11.704 -1.696 1.00 0.00 N ATOM 724 CA GLY A 51 -9.901 12.820 -1.906 1.00 0.00 C ATOM 725 C GLY A 51 -8.604 12.629 -1.117 1.00 0.00 C ATOM 726 O GLY A 51 -8.120 13.561 -0.476 1.00 0.00 O ATOM 0 H GLY A 51 -10.350 10.799 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.674 12.914 -2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.384 13.748 -1.600 1.00 0.00 H new ATOM 730 N SER A 52 -8.078 11.415 -1.190 1.00 0.00 N ATOM 731 CA SER A 52 -6.846 11.090 -0.491 1.00 0.00 C ATOM 732 C SER A 52 -5.726 10.827 -1.499 1.00 0.00 C ATOM 733 O SER A 52 -5.726 11.388 -2.594 1.00 0.00 O ATOM 734 CB SER A 52 -7.035 9.877 0.421 1.00 0.00 C ATOM 735 OG SER A 52 -6.742 8.654 -0.249 1.00 0.00 O ATOM 0 H SER A 52 -8.482 10.645 -1.722 1.00 0.00 H new ATOM 0 HA SER A 52 -6.572 11.941 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.390 9.976 1.294 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.062 9.854 0.785 1.00 0.00 H new ATOM 0 HG SER A 52 -6.873 7.904 0.368 1.00 0.00 H new ATOM 741 N LEU A 53 -4.798 9.973 -1.094 1.00 0.00 N ATOM 742 CA LEU A 53 -3.674 9.629 -1.948 1.00 0.00 C ATOM 743 C LEU A 53 -4.086 8.502 -2.897 1.00 0.00 C ATOM 744 O LEU A 53 -3.451 8.291 -3.929 1.00 0.00 O ATOM 745 CB LEU A 53 -2.440 9.301 -1.105 1.00 0.00 C ATOM 746 CG LEU A 53 -1.134 9.969 -1.540 1.00 0.00 C ATOM 747 CD1 LEU A 53 -1.089 10.148 -3.059 1.00 0.00 C ATOM 748 CD2 LEU A 53 -0.921 11.292 -0.801 1.00 0.00 C ATOM 0 H LEU A 53 -4.801 9.509 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.392 10.481 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.644 9.585 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.294 8.221 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.308 9.312 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.150 10.625 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.161 9.174 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.924 10.773 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.014 11.746 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.748 11.968 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.877 11.106 0.272 1.00 0.00 H new ATOM 760 N SER A 54 -5.148 7.807 -2.514 1.00 0.00 N ATOM 761 CA SER A 54 -5.653 6.707 -3.318 1.00 0.00 C ATOM 762 C SER A 54 -6.766 7.203 -4.242 1.00 0.00 C ATOM 763 O SER A 54 -6.846 6.793 -5.399 1.00 0.00 O ATOM 764 CB SER A 54 -6.164 5.569 -2.433 1.00 0.00 C ATOM 765 OG SER A 54 -5.661 5.658 -1.103 1.00 0.00 O ATOM 0 H SER A 54 -5.672 7.985 -1.657 1.00 0.00 H new ATOM 0 HA SER A 54 -4.833 6.320 -3.923 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.254 5.589 -2.410 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.872 4.613 -2.868 1.00 0.00 H new ATOM 0 HG SER A 54 -5.237 4.810 -0.856 1.00 0.00 H new ATOM 771 N ALA A 55 -7.598 8.078 -3.697 1.00 0.00 N ATOM 772 CA ALA A 55 -8.704 8.634 -4.459 1.00 0.00 C ATOM 773 C ALA A 55 -8.154 9.387 -5.672 1.00 0.00 C ATOM 774 O ALA A 55 -8.789 9.423 -6.725 1.00 0.00 O ATOM 775 CB ALA A 55 -9.550 9.529 -3.552 1.00 0.00 C ATOM 0 H ALA A 55 -7.529 8.416 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.352 7.840 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.379 9.946 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.941 8.940 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.934 10.340 -3.163 1.00 0.00 H new ATOM 781 N GLU A 56 -6.979 9.970 -5.484 1.00 0.00 N ATOM 782 CA GLU A 56 -6.337 10.721 -6.550 1.00 0.00 C ATOM 783 C GLU A 56 -6.042 9.805 -7.740 1.00 0.00 C ATOM 784 O GLU A 56 -6.081 10.243 -8.889 1.00 0.00 O ATOM 785 CB GLU A 56 -5.060 11.399 -6.050 1.00 0.00 C ATOM 786 CG GLU A 56 -4.105 10.379 -5.427 1.00 0.00 C ATOM 787 CD GLU A 56 -2.655 10.682 -5.806 1.00 0.00 C ATOM 788 OE1 GLU A 56 -2.301 11.881 -5.785 1.00 0.00 O ATOM 789 OE2 GLU A 56 -1.932 9.708 -6.110 1.00 0.00 O ATOM 0 H GLU A 56 -6.455 9.938 -4.610 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.020 11.504 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.566 11.907 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.313 12.162 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.211 10.392 -4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.370 9.376 -5.762 1.00 0.00 H new ATOM 796 N VAL A 57 -5.755 8.551 -7.424 1.00 0.00 N ATOM 797 CA VAL A 57 -5.453 7.571 -8.453 1.00 0.00 C ATOM 798 C VAL A 57 -6.726 6.797 -8.802 1.00 0.00 C ATOM 799 O VAL A 57 -6.717 5.950 -9.694 1.00 0.00 O ATOM 800 CB VAL A 57 -4.310 6.664 -7.993 1.00 0.00 C ATOM 801 CG1 VAL A 57 -3.025 7.468 -7.780 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.693 5.897 -6.726 1.00 0.00 C ATOM 0 H VAL A 57 -5.725 8.191 -6.470 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.112 8.065 -9.363 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.123 5.935 -8.781 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.228 6.800 -7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.736 7.947 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.194 8.230 -7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.863 5.260 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.920 6.604 -5.928 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.569 5.280 -6.925 1.00 0.00 H new ATOM 812 N GLY A 58 -7.791 7.115 -8.081 1.00 0.00 N ATOM 813 CA GLY A 58 -9.069 6.461 -8.303 1.00 0.00 C ATOM 814 C GLY A 58 -9.106 5.088 -7.629 1.00 0.00 C ATOM 815 O GLY A 58 -9.825 4.194 -8.072 1.00 0.00 O ATOM 0 H GLY A 58 -7.795 7.818 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.873 7.084 -7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.244 6.350 -9.373 1.00 0.00 H new ATOM 819 N LEU A 59 -8.322 4.963 -6.568 1.00 0.00 N ATOM 820 CA LEU A 59 -8.256 3.715 -5.828 1.00 0.00 C ATOM 821 C LEU A 59 -9.589 3.479 -5.114 1.00 0.00 C ATOM 822 O LEU A 59 -10.175 4.410 -4.563 1.00 0.00 O ATOM 823 CB LEU A 59 -7.047 3.710 -4.891 1.00 0.00 C ATOM 824 CG LEU A 59 -5.771 3.072 -5.445 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.633 3.149 -4.426 1.00 0.00 C ATOM 826 CD2 LEU A 59 -6.032 1.637 -5.907 1.00 0.00 C ATOM 0 H LEU A 59 -7.727 5.707 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.106 2.877 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.823 4.740 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.324 3.186 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.457 3.640 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.738 2.689 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.427 4.193 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.922 2.621 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.109 1.207 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.383 1.042 -5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.790 1.639 -6.690 1.00 0.00 H new ATOM 838 N GLU A 60 -10.028 2.230 -5.147 1.00 0.00 N ATOM 839 CA GLU A 60 -11.281 1.860 -4.509 1.00 0.00 C ATOM 840 C GLU A 60 -11.113 0.558 -3.724 1.00 0.00 C ATOM 841 O GLU A 60 -10.083 -0.107 -3.830 1.00 0.00 O ATOM 842 CB GLU A 60 -12.405 1.737 -5.540 1.00 0.00 C ATOM 843 CG GLU A 60 -12.554 3.029 -6.346 1.00 0.00 C ATOM 844 CD GLU A 60 -13.753 2.950 -7.293 1.00 0.00 C ATOM 845 OE1 GLU A 60 -14.877 2.781 -6.772 1.00 0.00 O ATOM 846 OE2 GLU A 60 -13.519 3.060 -8.516 1.00 0.00 O ATOM 0 H GLU A 60 -9.539 1.461 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.557 2.649 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.196 0.906 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.344 1.509 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.677 3.873 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.645 3.211 -6.919 1.00 0.00 H new ATOM 853 N ILE A 61 -12.140 0.233 -2.952 1.00 0.00 N ATOM 854 CA ILE A 61 -12.118 -0.978 -2.149 1.00 0.00 C ATOM 855 C ILE A 61 -12.015 -2.194 -3.071 1.00 0.00 C ATOM 856 O ILE A 61 -12.685 -2.257 -4.100 1.00 0.00 O ATOM 857 CB ILE A 61 -13.326 -1.019 -1.210 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.324 0.182 -0.261 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.387 -2.347 -0.454 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.732 0.468 0.263 1.00 0.00 C ATOM 0 H ILE A 61 -12.992 0.787 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.240 -0.992 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.231 -0.950 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.653 -0.012 0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.940 1.060 -0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.254 -2.350 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.470 -3.168 -1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.480 -2.471 0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.703 1.326 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.395 0.686 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.103 -0.403 0.803 1.00 0.00 H new ATOM 872 N GLY A 62 -11.169 -3.131 -2.668 1.00 0.00 N ATOM 873 CA GLY A 62 -10.969 -4.343 -3.445 1.00 0.00 C ATOM 874 C GLY A 62 -9.571 -4.370 -4.068 1.00 0.00 C ATOM 875 O GLY A 62 -8.913 -5.409 -4.079 1.00 0.00 O ATOM 0 H GLY A 62 -10.614 -3.075 -1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.103 -5.216 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.722 -4.404 -4.230 1.00 0.00 H new ATOM 879 N ASP A 63 -9.160 -3.215 -4.571 1.00 0.00 N ATOM 880 CA ASP A 63 -7.853 -3.094 -5.194 1.00 0.00 C ATOM 881 C ASP A 63 -6.808 -3.785 -4.316 1.00 0.00 C ATOM 882 O ASP A 63 -6.318 -3.201 -3.351 1.00 0.00 O ATOM 883 CB ASP A 63 -7.449 -1.626 -5.343 1.00 0.00 C ATOM 884 CG ASP A 63 -8.311 -0.813 -6.311 1.00 0.00 C ATOM 885 OD1 ASP A 63 -8.790 -1.421 -7.293 1.00 0.00 O ATOM 886 OD2 ASP A 63 -8.471 0.399 -6.048 1.00 0.00 O ATOM 0 H ASP A 63 -9.709 -2.355 -4.560 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.905 -3.556 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.487 -1.153 -4.362 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.413 -1.582 -5.678 1.00 0.00 H new ATOM 891 N GLN A 64 -6.497 -5.020 -4.683 1.00 0.00 N ATOM 892 CA GLN A 64 -5.519 -5.797 -3.941 1.00 0.00 C ATOM 893 C GLN A 64 -4.102 -5.436 -4.391 1.00 0.00 C ATOM 894 O GLN A 64 -3.834 -5.336 -5.588 1.00 0.00 O ATOM 895 CB GLN A 64 -5.779 -7.297 -4.096 1.00 0.00 C ATOM 896 CG GLN A 64 -4.686 -8.116 -3.407 1.00 0.00 C ATOM 897 CD GLN A 64 -4.601 -9.524 -3.999 1.00 0.00 C ATOM 898 OE1 GLN A 64 -5.437 -9.949 -4.780 1.00 0.00 O ATOM 899 NE2 GLN A 64 -3.546 -10.222 -3.587 1.00 0.00 N ATOM 0 H GLN A 64 -6.905 -5.501 -5.484 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.616 -5.552 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.750 -7.548 -3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.820 -7.555 -5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.725 -7.613 -3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.892 -8.179 -2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.884 -9.806 -2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.399 -11.173 -3.926 1.00 0.00 H new ATOM 908 N ILE A 65 -3.232 -5.251 -3.409 1.00 0.00 N ATOM 909 CA ILE A 65 -1.850 -4.903 -3.690 1.00 0.00 C ATOM 910 C ILE A 65 -1.033 -6.185 -3.869 1.00 0.00 C ATOM 911 O ILE A 65 -0.818 -6.927 -2.911 1.00 0.00 O ATOM 912 CB ILE A 65 -1.301 -3.970 -2.608 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.236 -2.779 -2.387 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.125 -3.526 -2.938 1.00 0.00 C ATOM 915 CD1 ILE A 65 -2.060 -2.198 -0.982 1.00 0.00 C ATOM 0 H ILE A 65 -3.458 -5.336 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.780 -4.346 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.256 -4.523 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.032 -2.009 -3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.270 -3.093 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.491 -2.864 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.772 -4.401 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.130 -2.996 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.736 -1.353 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.288 -2.964 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.031 -1.863 -0.853 1.00 0.00 H new ATOM 927 N VAL A 66 -0.599 -6.405 -5.101 1.00 0.00 N ATOM 928 CA VAL A 66 0.190 -7.583 -5.417 1.00 0.00 C ATOM 929 C VAL A 66 1.668 -7.196 -5.501 1.00 0.00 C ATOM 930 O VAL A 66 2.545 -8.046 -5.360 1.00 0.00 O ATOM 931 CB VAL A 66 -0.331 -8.233 -6.701 1.00 0.00 C ATOM 932 CG1 VAL A 66 -1.825 -8.546 -6.590 1.00 0.00 C ATOM 933 CG2 VAL A 66 -0.045 -7.350 -7.917 1.00 0.00 C ATOM 0 H VAL A 66 -0.779 -5.787 -5.892 1.00 0.00 H new ATOM 0 HA VAL A 66 0.094 -8.329 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 66 0.199 -9.175 -6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.170 -9.007 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.992 -9.231 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.378 -7.623 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.425 -7.835 -8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.536 -6.385 -7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.030 -7.200 -8.013 1.00 0.00 H new ATOM 943 N GLU A 67 1.897 -5.911 -5.728 1.00 0.00 N ATOM 944 CA GLU A 67 3.254 -5.400 -5.832 1.00 0.00 C ATOM 945 C GLU A 67 3.302 -3.932 -5.403 1.00 0.00 C ATOM 946 O GLU A 67 2.311 -3.214 -5.522 1.00 0.00 O ATOM 947 CB GLU A 67 3.799 -5.576 -7.251 1.00 0.00 C ATOM 948 CG GLU A 67 5.129 -4.839 -7.422 1.00 0.00 C ATOM 949 CD GLU A 67 5.611 -4.909 -8.872 1.00 0.00 C ATOM 950 OE1 GLU A 67 4.888 -4.371 -9.738 1.00 0.00 O ATOM 951 OE2 GLU A 67 6.693 -5.500 -9.082 1.00 0.00 O ATOM 0 H GLU A 67 1.166 -5.208 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 67 3.891 -5.975 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.937 -6.636 -7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.074 -5.198 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.013 -3.797 -7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.879 -5.277 -6.764 1.00 0.00 H new ATOM 958 N VAL A 68 4.466 -3.530 -4.914 1.00 0.00 N ATOM 959 CA VAL A 68 4.657 -2.161 -4.467 1.00 0.00 C ATOM 960 C VAL A 68 6.131 -1.781 -4.615 1.00 0.00 C ATOM 961 O VAL A 68 7.001 -2.406 -4.008 1.00 0.00 O ATOM 962 CB VAL A 68 4.139 -2.000 -3.036 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.413 -0.590 -2.509 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.649 -2.337 -2.951 1.00 0.00 C ATOM 0 H VAL A 68 5.286 -4.129 -4.818 1.00 0.00 H new ATOM 0 HA VAL A 68 4.081 -1.474 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 68 4.679 -2.705 -2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.035 -0.502 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.487 -0.402 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.913 0.140 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.306 -2.214 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.087 -1.668 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.491 -3.369 -3.266 1.00 0.00 H new ATOM 974 N ASN A 69 6.368 -0.760 -5.424 1.00 0.00 N ATOM 975 CA ASN A 69 7.723 -0.290 -5.660 1.00 0.00 C ATOM 976 C ASN A 69 8.608 -1.474 -6.054 1.00 0.00 C ATOM 977 O ASN A 69 9.812 -1.464 -5.805 1.00 0.00 O ATOM 978 CB ASN A 69 8.314 0.342 -4.398 1.00 0.00 C ATOM 979 CG ASN A 69 8.712 1.798 -4.648 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.583 2.325 -5.740 1.00 0.00 O ATOM 981 ND2 ASN A 69 9.202 2.416 -3.577 1.00 0.00 N ATOM 0 H ASN A 69 5.645 -0.244 -5.925 1.00 0.00 H new ATOM 0 HA ASN A 69 7.688 0.455 -6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.586 0.294 -3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.186 -0.227 -4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.497 3.390 -3.641 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.283 1.916 -2.692 1.00 0.00 H new ATOM 988 N GLY A 70 7.976 -2.466 -6.665 1.00 0.00 N ATOM 989 CA GLY A 70 8.691 -3.655 -7.096 1.00 0.00 C ATOM 990 C GLY A 70 8.813 -4.666 -5.955 1.00 0.00 C ATOM 991 O GLY A 70 9.699 -5.519 -5.968 1.00 0.00 O ATOM 0 H GLY A 70 6.977 -2.470 -6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.170 -4.112 -7.937 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.684 -3.378 -7.449 1.00 0.00 H new ATOM 995 N VAL A 71 7.911 -4.537 -4.993 1.00 0.00 N ATOM 996 CA VAL A 71 7.906 -5.429 -3.846 1.00 0.00 C ATOM 997 C VAL A 71 6.884 -6.544 -4.076 1.00 0.00 C ATOM 998 O VAL A 71 5.969 -6.395 -4.884 1.00 0.00 O ATOM 999 CB VAL A 71 7.645 -4.633 -2.566 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.596 -5.556 -1.347 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.694 -3.534 -2.380 1.00 0.00 C ATOM 0 H VAL A 71 7.178 -3.828 -4.984 1.00 0.00 H new ATOM 0 HA VAL A 71 8.881 -5.902 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 71 6.671 -4.153 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.409 -4.965 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.796 -6.285 -1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.548 -6.077 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.485 -2.983 -1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.685 -3.984 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.660 -2.851 -3.229 1.00 0.00 H new ATOM 1011 N ASP A 72 7.075 -7.636 -3.350 1.00 0.00 N ATOM 1012 CA ASP A 72 6.180 -8.775 -3.465 1.00 0.00 C ATOM 1013 C ASP A 72 5.099 -8.680 -2.387 1.00 0.00 C ATOM 1014 O ASP A 72 5.234 -9.265 -1.314 1.00 0.00 O ATOM 1015 CB ASP A 72 6.936 -10.091 -3.262 1.00 0.00 C ATOM 1016 CG ASP A 72 6.445 -11.257 -4.122 1.00 0.00 C ATOM 1017 OD1 ASP A 72 5.225 -11.524 -4.074 1.00 0.00 O ATOM 1018 OD2 ASP A 72 7.301 -11.856 -4.808 1.00 0.00 O ATOM 0 H ASP A 72 7.835 -7.756 -2.681 1.00 0.00 H new ATOM 0 HA ASP A 72 5.741 -8.760 -4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.992 -9.922 -3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.863 -10.377 -2.213 1.00 0.00 H new ATOM 1023 N PHE A 73 4.050 -7.938 -2.710 1.00 0.00 N ATOM 1024 CA PHE A 73 2.946 -7.759 -1.783 1.00 0.00 C ATOM 1025 C PHE A 73 1.888 -8.847 -1.973 1.00 0.00 C ATOM 1026 O PHE A 73 0.714 -8.637 -1.671 1.00 0.00 O ATOM 1027 CB PHE A 73 2.320 -6.397 -2.090 1.00 0.00 C ATOM 1028 CG PHE A 73 2.857 -5.256 -1.223 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.188 -4.978 -1.213 1.00 0.00 C ATOM 1030 CD2 PHE A 73 2.002 -4.519 -0.464 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.686 -3.919 -0.409 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.500 -3.460 0.341 1.00 0.00 C ATOM 1033 CZ PHE A 73 3.831 -3.182 0.351 1.00 0.00 C ATOM 0 H PHE A 73 3.941 -7.454 -3.601 1.00 0.00 H new ATOM 0 HA PHE A 73 3.309 -7.818 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.495 -6.156 -3.139 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.241 -6.466 -1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.866 -5.563 -1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.945 -4.739 -0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.743 -3.698 -0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.822 -2.876 0.945 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.210 -2.376 0.962 1.00 0.00 H new ATOM 1043 N SER A 74 2.341 -9.987 -2.473 1.00 0.00 N ATOM 1044 CA SER A 74 1.448 -11.109 -2.707 1.00 0.00 C ATOM 1045 C SER A 74 1.174 -11.843 -1.393 1.00 0.00 C ATOM 1046 O SER A 74 0.024 -12.139 -1.071 1.00 0.00 O ATOM 1047 CB SER A 74 2.033 -12.073 -3.741 1.00 0.00 C ATOM 1048 OG SER A 74 1.020 -12.689 -4.531 1.00 0.00 O ATOM 0 H SER A 74 3.315 -10.158 -2.723 1.00 0.00 H new ATOM 0 HA SER A 74 0.509 -10.721 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.721 -11.533 -4.391 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.613 -12.842 -3.232 1.00 0.00 H new ATOM 0 HG SER A 74 1.435 -13.295 -5.180 1.00 0.00 H new ATOM 1054 N ASN A 75 2.249 -12.116 -0.669 1.00 0.00 N ATOM 1055 CA ASN A 75 2.139 -12.809 0.603 1.00 0.00 C ATOM 1056 C ASN A 75 2.797 -11.966 1.697 1.00 0.00 C ATOM 1057 O ASN A 75 3.597 -12.475 2.481 1.00 0.00 O ATOM 1058 CB ASN A 75 2.852 -14.162 0.556 1.00 0.00 C ATOM 1059 CG ASN A 75 4.277 -14.013 0.018 1.00 0.00 C ATOM 1060 OD1 ASN A 75 4.347 -13.910 -1.306 1.00 0.00 O flip ATOM 1061 ND2 ASN A 75 5.248 -13.994 0.756 1.00 0.00 N flip ATOM 0 H ASN A 75 3.201 -11.870 -0.939 1.00 0.00 H new ATOM 0 HA ASN A 75 1.081 -12.966 0.811 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.880 -14.597 1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.291 -14.851 -0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.123 -14.078 1.765 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.184 -13.894 0.364 1.00 0.00 H new ATOM 1068 N LEU A 76 2.436 -10.692 1.715 1.00 0.00 N ATOM 1069 CA LEU A 76 2.981 -9.773 2.700 1.00 0.00 C ATOM 1070 C LEU A 76 2.123 -9.821 3.966 1.00 0.00 C ATOM 1071 O LEU A 76 1.287 -10.710 4.120 1.00 0.00 O ATOM 1072 CB LEU A 76 3.122 -8.371 2.105 1.00 0.00 C ATOM 1073 CG LEU A 76 4.513 -7.997 1.590 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.556 -6.537 1.136 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.586 -8.304 2.636 1.00 0.00 C ATOM 0 H LEU A 76 1.772 -10.274 1.063 1.00 0.00 H new ATOM 0 HA LEU A 76 3.989 -10.075 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.414 -8.274 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.830 -7.645 2.864 1.00 0.00 H new ATOM 0 HG LEU A 76 4.730 -8.612 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.556 -6.298 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.834 -6.384 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.308 -5.887 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.565 -8.029 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.384 -7.733 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.574 -9.369 2.868 1.00 0.00 H new ATOM 1087 N ASP A 77 2.358 -8.853 4.839 1.00 0.00 N ATOM 1088 CA ASP A 77 1.617 -8.773 6.086 1.00 0.00 C ATOM 1089 C ASP A 77 1.145 -7.334 6.303 1.00 0.00 C ATOM 1090 O ASP A 77 1.531 -6.432 5.561 1.00 0.00 O ATOM 1091 CB ASP A 77 2.495 -9.168 7.275 1.00 0.00 C ATOM 1092 CG ASP A 77 1.755 -9.309 8.607 1.00 0.00 C ATOM 1093 OD1 ASP A 77 0.807 -10.123 8.646 1.00 0.00 O ATOM 1094 OD2 ASP A 77 2.154 -8.599 9.556 1.00 0.00 O ATOM 0 H ASP A 77 3.052 -8.117 4.707 1.00 0.00 H new ATOM 0 HA ASP A 77 0.771 -9.457 6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.985 -10.115 7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.281 -8.422 7.391 1.00 0.00 H new ATOM 1099 N HIS A 78 0.319 -7.163 7.325 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.209 -5.849 7.649 1.00 0.00 C ATOM 1101 C HIS A 78 0.899 -4.987 8.257 1.00 0.00 C ATOM 1102 O HIS A 78 0.699 -3.799 8.509 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.436 -5.965 8.556 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.106 -4.645 8.853 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.613 -3.746 9.782 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.235 -4.082 8.335 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.417 -2.693 9.814 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.422 -2.903 8.916 1.00 0.00 N ATOM 0 H HIS A 78 0.003 -7.913 7.940 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.548 -5.354 6.739 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.160 -6.631 8.087 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.138 -6.429 9.496 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -0.773 -3.872 10.347 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.870 -4.521 7.580 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.297 -1.822 10.441 1.00 0.00 H new ATOM 1116 N LYS A 79 2.043 -5.618 8.477 1.00 0.00 N ATOM 1117 CA LYS A 79 3.183 -4.924 9.051 1.00 0.00 C ATOM 1118 C LYS A 79 4.258 -4.743 7.978 1.00 0.00 C ATOM 1119 O LYS A 79 4.931 -3.714 7.936 1.00 0.00 O ATOM 1120 CB LYS A 79 3.679 -5.652 10.302 1.00 0.00 C ATOM 1121 CG LYS A 79 2.563 -5.779 11.342 1.00 0.00 C ATOM 1122 CD LYS A 79 2.886 -4.962 12.595 1.00 0.00 C ATOM 1123 CE LYS A 79 2.298 -5.621 13.844 1.00 0.00 C ATOM 1124 NZ LYS A 79 3.222 -5.473 14.991 1.00 0.00 N ATOM 0 H LYS A 79 2.205 -6.603 8.268 1.00 0.00 H new ATOM 0 HA LYS A 79 2.894 -3.927 9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.042 -6.643 10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.522 -5.111 10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.621 -5.437 10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.429 -6.827 11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.966 -4.867 12.704 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.487 -3.953 12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.336 -5.167 14.083 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.113 -6.678 13.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.808 -5.926 15.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.130 -5.926 14.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.377 -4.463 15.183 1.00 0.00 H new ATOM 1138 N GLU A 80 4.386 -5.759 7.137 1.00 0.00 N ATOM 1139 CA GLU A 80 5.368 -5.724 6.067 1.00 0.00 C ATOM 1140 C GLU A 80 4.859 -4.867 4.906 1.00 0.00 C ATOM 1141 O GLU A 80 5.637 -4.172 4.255 1.00 0.00 O ATOM 1142 CB GLU A 80 5.713 -7.138 5.593 1.00 0.00 C ATOM 1143 CG GLU A 80 6.353 -7.952 6.719 1.00 0.00 C ATOM 1144 CD GLU A 80 7.610 -8.674 6.228 1.00 0.00 C ATOM 1145 OE1 GLU A 80 7.477 -9.443 5.252 1.00 0.00 O ATOM 1146 OE2 GLU A 80 8.675 -8.440 6.839 1.00 0.00 O ATOM 0 H GLU A 80 3.826 -6.611 7.175 1.00 0.00 H new ATOM 0 HA GLU A 80 6.281 -5.272 6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.810 -7.639 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.395 -7.085 4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.609 -7.293 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.636 -8.680 7.099 1.00 0.00 H new ATOM 1153 N ALA A 81 3.555 -4.944 4.683 1.00 0.00 N ATOM 1154 CA ALA A 81 2.933 -4.183 3.613 1.00 0.00 C ATOM 1155 C ALA A 81 2.866 -2.708 4.014 1.00 0.00 C ATOM 1156 O ALA A 81 2.942 -1.825 3.160 1.00 0.00 O ATOM 1157 CB ALA A 81 1.553 -4.768 3.307 1.00 0.00 C ATOM 0 H ALA A 81 2.912 -5.522 5.225 1.00 0.00 H new ATOM 0 HA ALA A 81 3.525 -4.249 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.086 -4.197 2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.659 -5.808 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.930 -4.716 4.200 1.00 0.00 H new ATOM 1163 N VAL A 82 2.724 -2.487 5.312 1.00 0.00 N ATOM 1164 CA VAL A 82 2.645 -1.134 5.836 1.00 0.00 C ATOM 1165 C VAL A 82 4.058 -0.566 5.985 1.00 0.00 C ATOM 1166 O VAL A 82 4.291 0.610 5.709 1.00 0.00 O ATOM 1167 CB VAL A 82 1.857 -1.125 7.148 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.014 0.213 7.873 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.382 -1.447 6.903 1.00 0.00 C ATOM 0 H VAL A 82 2.662 -3.222 6.017 1.00 0.00 H new ATOM 0 HA VAL A 82 2.105 -0.488 5.143 1.00 0.00 H new ATOM 0 HB VAL A 82 2.267 -1.904 7.791 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.444 0.193 8.802 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.067 0.384 8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.643 1.017 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.156 -1.434 7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.047 -0.702 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.296 -2.435 6.450 1.00 0.00 H new ATOM 1179 N ASN A 83 4.965 -1.429 6.420 1.00 0.00 N ATOM 1180 CA ASN A 83 6.349 -1.028 6.608 1.00 0.00 C ATOM 1181 C ASN A 83 6.952 -0.640 5.256 1.00 0.00 C ATOM 1182 O ASN A 83 7.702 0.330 5.162 1.00 0.00 O ATOM 1183 CB ASN A 83 7.181 -2.175 7.185 1.00 0.00 C ATOM 1184 CG ASN A 83 8.637 -1.750 7.385 1.00 0.00 C ATOM 1185 OD1 ASN A 83 8.957 -0.579 7.516 1.00 0.00 O ATOM 1186 ND2 ASN A 83 9.499 -2.762 7.402 1.00 0.00 N ATOM 0 H ASN A 83 4.768 -2.404 6.647 1.00 0.00 H new ATOM 0 HA ASN A 83 6.365 -0.187 7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.757 -2.493 8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.138 -3.033 6.515 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.495 -2.582 7.530 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.165 -3.719 7.287 1.00 0.00 H new ATOM 1193 N VAL A 84 6.601 -1.418 4.243 1.00 0.00 N ATOM 1194 CA VAL A 84 7.098 -1.169 2.900 1.00 0.00 C ATOM 1195 C VAL A 84 6.398 0.063 2.323 1.00 0.00 C ATOM 1196 O VAL A 84 6.994 0.819 1.557 1.00 0.00 O ATOM 1197 CB VAL A 84 6.919 -2.418 2.035 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.315 -2.141 0.584 1.00 0.00 C ATOM 1199 CG2 VAL A 84 7.711 -3.597 2.605 1.00 0.00 C ATOM 0 H VAL A 84 5.978 -2.222 4.325 1.00 0.00 H new ATOM 0 HA VAL A 84 8.167 -0.956 2.922 1.00 0.00 H new ATOM 0 HB VAL A 84 5.863 -2.687 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.178 -3.045 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.689 -1.345 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.361 -1.835 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.567 -4.472 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.770 -3.342 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.361 -3.817 3.613 1.00 0.00 H new ATOM 1209 N LEU A 85 5.142 0.227 2.712 1.00 0.00 N ATOM 1210 CA LEU A 85 4.354 1.354 2.243 1.00 0.00 C ATOM 1211 C LEU A 85 4.795 2.621 2.979 1.00 0.00 C ATOM 1212 O LEU A 85 4.806 3.707 2.402 1.00 0.00 O ATOM 1213 CB LEU A 85 2.859 1.055 2.374 1.00 0.00 C ATOM 1214 CG LEU A 85 2.247 0.195 1.266 1.00 0.00 C ATOM 1215 CD1 LEU A 85 0.875 -0.338 1.681 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.188 0.965 -0.055 1.00 0.00 C ATOM 0 H LEU A 85 4.651 -0.402 3.347 1.00 0.00 H new ATOM 0 HA LEU A 85 4.529 1.525 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.691 0.556 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.321 2.002 2.410 1.00 0.00 H new ATOM 0 HG LEU A 85 2.893 -0.669 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.462 -0.946 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.978 -0.947 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.206 0.498 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.749 0.332 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.577 1.859 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.196 1.254 -0.353 1.00 0.00 H new ATOM 1228 N LYS A 86 5.148 2.439 4.243 1.00 0.00 N ATOM 1229 CA LYS A 86 5.588 3.554 5.065 1.00 0.00 C ATOM 1230 C LYS A 86 7.099 3.733 4.906 1.00 0.00 C ATOM 1231 O LYS A 86 7.679 4.664 5.462 1.00 0.00 O ATOM 1232 CB LYS A 86 5.140 3.361 6.515 1.00 0.00 C ATOM 1233 CG LYS A 86 6.240 2.694 7.344 1.00 0.00 C ATOM 1234 CD LYS A 86 5.770 2.445 8.779 1.00 0.00 C ATOM 1235 CE LYS A 86 4.707 1.346 8.825 1.00 0.00 C ATOM 1236 NZ LYS A 86 4.994 0.393 9.920 1.00 0.00 N ATOM 0 H LYS A 86 5.138 1.536 4.718 1.00 0.00 H new ATOM 0 HA LYS A 86 5.120 4.481 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.885 4.326 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.238 2.750 6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.526 1.749 6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.128 3.326 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.620 2.160 9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.364 3.366 9.198 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.722 1.790 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.681 0.817 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.263 -0.346 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.925 -0.044 9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.996 0.899 10.829 1.00 0.00 H new ATOM 1250 N SER A 87 7.694 2.826 4.145 1.00 0.00 N ATOM 1251 CA SER A 87 9.126 2.871 3.907 1.00 0.00 C ATOM 1252 C SER A 87 9.511 4.216 3.287 1.00 0.00 C ATOM 1253 O SER A 87 10.306 4.962 3.857 1.00 0.00 O ATOM 1254 CB SER A 87 9.570 1.723 2.999 1.00 0.00 C ATOM 1255 OG SER A 87 10.968 1.465 3.110 1.00 0.00 O ATOM 0 H SER A 87 7.210 2.055 3.685 1.00 0.00 H new ATOM 0 HA SER A 87 9.635 2.759 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.013 0.822 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.327 1.964 1.964 1.00 0.00 H new ATOM 0 HG SER A 87 11.212 0.724 2.516 1.00 0.00 H new ATOM 1261 N SER A 88 8.928 4.486 2.128 1.00 0.00 N ATOM 1262 CA SER A 88 9.200 5.728 1.425 1.00 0.00 C ATOM 1263 C SER A 88 7.886 6.426 1.068 1.00 0.00 C ATOM 1264 O SER A 88 6.807 5.874 1.284 1.00 0.00 O ATOM 1265 CB SER A 88 10.028 5.477 0.164 1.00 0.00 C ATOM 1266 OG SER A 88 10.931 6.547 -0.104 1.00 0.00 O ATOM 0 H SER A 88 8.268 3.866 1.658 1.00 0.00 H new ATOM 0 HA SER A 88 9.779 6.374 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.589 4.549 0.277 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.361 5.344 -0.687 1.00 0.00 H new ATOM 0 HG SER A 88 11.442 6.348 -0.916 1.00 0.00 H new ATOM 1272 N ARG A 89 8.019 7.627 0.526 1.00 0.00 N ATOM 1273 CA ARG A 89 6.855 8.405 0.136 1.00 0.00 C ATOM 1274 C ARG A 89 6.343 7.946 -1.231 1.00 0.00 C ATOM 1275 O ARG A 89 5.194 7.526 -1.358 1.00 0.00 O ATOM 1276 CB ARG A 89 7.186 9.898 0.073 1.00 0.00 C ATOM 1277 CG ARG A 89 8.023 10.325 1.281 1.00 0.00 C ATOM 1278 CD ARG A 89 7.296 10.012 2.590 1.00 0.00 C ATOM 1279 NE ARG A 89 8.034 10.598 3.731 1.00 0.00 N ATOM 1280 CZ ARG A 89 7.603 10.568 5.000 1.00 0.00 C ATOM 1281 NH1 ARG A 89 6.436 9.980 5.297 1.00 0.00 N ATOM 1282 NH2 ARG A 89 8.338 11.126 5.971 1.00 0.00 N ATOM 0 H ARG A 89 8.915 8.081 0.347 1.00 0.00 H new ATOM 0 HA ARG A 89 6.083 8.246 0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.730 10.115 -0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.264 10.478 0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.984 9.810 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.232 11.393 1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.283 10.412 2.558 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.209 8.933 2.718 1.00 0.00 H new ATOM 0 HE ARG A 89 8.927 11.053 3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.876 9.555 4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.108 9.957 6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.226 11.574 5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.010 11.103 6.936 1.00 0.00 H new ATOM 1296 N SER A 90 7.221 8.042 -2.219 1.00 0.00 N ATOM 1297 CA SER A 90 6.872 7.641 -3.571 1.00 0.00 C ATOM 1298 C SER A 90 7.043 6.129 -3.730 1.00 0.00 C ATOM 1299 O SER A 90 8.149 5.608 -3.591 1.00 0.00 O ATOM 1300 CB SER A 90 7.724 8.383 -4.603 1.00 0.00 C ATOM 1301 OG SER A 90 8.169 9.647 -4.118 1.00 0.00 O ATOM 0 H SER A 90 8.173 8.392 -2.110 1.00 0.00 H new ATOM 0 HA SER A 90 5.828 7.902 -3.746 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.587 7.772 -4.868 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.145 8.528 -5.515 1.00 0.00 H new ATOM 0 HG SER A 90 8.711 10.089 -4.805 1.00 0.00 H new ATOM 1307 N LEU A 91 5.932 5.467 -4.018 1.00 0.00 N ATOM 1308 CA LEU A 91 5.945 4.025 -4.197 1.00 0.00 C ATOM 1309 C LEU A 91 5.012 3.650 -5.350 1.00 0.00 C ATOM 1310 O LEU A 91 3.966 4.270 -5.534 1.00 0.00 O ATOM 1311 CB LEU A 91 5.612 3.319 -2.882 1.00 0.00 C ATOM 1312 CG LEU A 91 6.523 3.644 -1.696 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.707 4.121 -0.493 1.00 0.00 C ATOM 1314 CD2 LEU A 91 7.416 2.452 -1.347 1.00 0.00 C ATOM 0 H LEU A 91 5.017 5.903 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 91 6.943 3.684 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.588 3.570 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.641 2.243 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 91 7.180 4.464 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.378 4.345 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.151 5.019 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.009 3.339 -0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.053 2.710 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.794 1.596 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.038 2.200 -2.206 1.00 0.00 H new ATOM 1326 N THR A 92 5.425 2.637 -6.098 1.00 0.00 N ATOM 1327 CA THR A 92 4.639 2.172 -7.228 1.00 0.00 C ATOM 1328 C THR A 92 3.842 0.922 -6.845 1.00 0.00 C ATOM 1329 O THR A 92 4.385 -0.181 -6.822 1.00 0.00 O ATOM 1330 CB THR A 92 5.590 1.949 -8.405 1.00 0.00 C ATOM 1331 OG1 THR A 92 6.052 3.257 -8.731 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.860 1.487 -9.668 1.00 0.00 C ATOM 0 H THR A 92 6.294 2.125 -5.943 1.00 0.00 H new ATOM 0 HA THR A 92 3.898 2.913 -7.526 1.00 0.00 H new ATOM 0 HB THR A 92 6.342 1.210 -8.129 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.319 3.899 -8.625 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.581 1.343 -10.473 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.347 0.546 -9.468 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.131 2.242 -9.964 1.00 0.00 H new ATOM 1340 N ILE A 93 2.568 1.138 -6.556 1.00 0.00 N ATOM 1341 CA ILE A 93 1.691 0.043 -6.176 1.00 0.00 C ATOM 1342 C ILE A 93 1.039 -0.541 -7.430 1.00 0.00 C ATOM 1343 O ILE A 93 0.573 0.200 -8.295 1.00 0.00 O ATOM 1344 CB ILE A 93 0.686 0.504 -5.118 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.401 1.108 -3.908 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.252 -0.637 -4.719 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.522 2.150 -3.215 1.00 0.00 C ATOM 0 H ILE A 93 2.121 2.055 -6.577 1.00 0.00 H new ATOM 0 HA ILE A 93 2.263 -0.760 -5.711 1.00 0.00 H new ATOM 0 HB ILE A 93 0.069 1.291 -5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.660 0.318 -3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.336 1.570 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.956 -0.283 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.801 -0.980 -5.596 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.332 -1.462 -4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.054 2.563 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.285 2.950 -3.916 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.401 1.680 -2.876 1.00 0.00 H new ATOM 1359 N SER A 94 1.027 -1.865 -7.490 1.00 0.00 N ATOM 1360 CA SER A 94 0.440 -2.557 -8.625 1.00 0.00 C ATOM 1361 C SER A 94 -0.772 -3.373 -8.170 1.00 0.00 C ATOM 1362 O SER A 94 -0.620 -4.440 -7.578 1.00 0.00 O ATOM 1363 CB SER A 94 1.465 -3.465 -9.307 1.00 0.00 C ATOM 1364 OG SER A 94 1.774 -3.024 -10.626 1.00 0.00 O ATOM 0 H SER A 94 1.414 -2.476 -6.771 1.00 0.00 H new ATOM 0 HA SER A 94 0.117 -1.811 -9.351 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.377 -3.494 -8.711 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.078 -4.483 -9.346 1.00 0.00 H new ATOM 0 HG SER A 94 2.433 -3.628 -11.027 1.00 0.00 H new ATOM 1370 N ILE A 95 -1.949 -2.839 -8.463 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.186 -3.504 -8.092 1.00 0.00 C ATOM 1372 C ILE A 95 -3.755 -4.231 -9.311 1.00 0.00 C ATOM 1373 O ILE A 95 -3.294 -4.024 -10.433 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.161 -2.509 -7.459 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.362 -1.289 -8.362 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.704 -2.112 -6.054 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -5.844 -0.927 -8.471 1.00 0.00 C ATOM 0 H ILE A 95 -2.072 -1.953 -8.953 1.00 0.00 H new ATOM 0 HA ILE A 95 -2.998 -4.259 -7.329 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.130 -2.998 -7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.805 -0.441 -7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.960 -1.496 -9.354 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.414 -1.404 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.653 -3.000 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.719 -1.649 -6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.959 -0.057 -9.118 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.394 -1.768 -8.893 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.236 -0.697 -7.480 1.00 0.00 H new ATOM 1389 N VAL A 96 -4.748 -5.069 -9.051 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.385 -5.828 -10.114 1.00 0.00 C ATOM 1391 C VAL A 96 -6.788 -5.270 -10.363 1.00 0.00 C ATOM 1392 O VAL A 96 -7.695 -6.008 -10.745 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.388 -7.317 -9.763 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.180 -8.122 -10.796 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -3.961 -7.852 -9.629 1.00 0.00 C ATOM 0 H VAL A 96 -5.127 -5.239 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.825 -5.727 -11.044 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.881 -7.432 -8.798 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.166 -9.177 -10.523 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.210 -7.767 -10.822 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.728 -7.996 -11.780 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.992 -8.913 -9.379 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.432 -7.717 -10.572 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.441 -7.308 -8.840 1.00 0.00 H new ATOM 1405 N ALA A 97 -6.922 -3.971 -10.139 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.198 -3.305 -10.334 1.00 0.00 C ATOM 1407 C ALA A 97 -9.311 -4.151 -9.711 1.00 0.00 C ATOM 1408 O ALA A 97 -9.820 -5.076 -10.343 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.421 -3.058 -11.828 1.00 0.00 C ATOM 0 H ALA A 97 -6.167 -3.362 -9.824 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.204 -2.335 -9.838 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.378 -2.558 -11.975 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.620 -2.429 -12.216 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.424 -4.011 -12.358 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.654 -3.805 -8.479 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.697 -4.521 -7.764 1.00 0.00 C ATOM 1417 C ALA A 98 -10.454 -6.026 -7.889 1.00 0.00 C ATOM 1418 O ALA A 98 -11.307 -6.757 -8.390 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.066 -4.105 -8.305 1.00 0.00 C ATOM 0 H ALA A 98 -9.228 -3.039 -7.958 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.676 -4.270 -6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.848 -4.642 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.202 -3.032 -8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.125 -4.343 -9.367 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.285 -6.445 -7.426 1.00 0.00 N ATOM 1426 CA ALA A 99 -8.919 -7.850 -7.480 1.00 0.00 C ATOM 1427 C ALA A 99 -9.858 -8.653 -6.576 1.00 0.00 C ATOM 1428 O ALA A 99 -10.673 -9.436 -7.061 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.450 -8.011 -7.083 1.00 0.00 C ATOM 0 H ALA A 99 -8.579 -5.836 -7.012 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.027 -8.235 -8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.176 -9.065 -7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.823 -7.446 -7.772 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.304 -7.637 -6.070 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.712 -8.429 -5.278 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.537 -9.122 -4.303 1.00 0.00 C ATOM 1437 C GLY A 100 -11.592 -8.184 -3.712 1.00 0.00 C ATOM 1438 O GLY A 100 -11.620 -7.958 -2.504 1.00 0.00 O ATOM 0 H GLY A 100 -9.035 -7.778 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.026 -9.974 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.909 -9.517 -3.505 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.434 -7.663 -4.593 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.488 -6.755 -4.174 1.00 0.00 C ATOM 1444 C ARG A 101 -14.565 -7.514 -3.396 1.00 0.00 C ATOM 1445 O ARG A 101 -15.215 -6.950 -2.518 1.00 0.00 O ATOM 1446 CB ARG A 101 -14.131 -6.065 -5.379 1.00 0.00 C ATOM 1447 CG ARG A 101 -13.996 -4.544 -5.275 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.149 -3.841 -5.995 1.00 0.00 C ATOM 1449 NE ARG A 101 -16.278 -3.636 -5.061 1.00 0.00 N ATOM 1450 CZ ARG A 101 -17.531 -3.358 -5.447 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -17.822 -3.251 -6.751 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -18.493 -3.188 -4.530 1.00 0.00 N ATOM 0 H ARG A 101 -12.407 -7.853 -5.595 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.037 -5.998 -3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.659 -6.414 -6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -15.185 -6.337 -5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -13.983 -4.247 -4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.046 -4.229 -5.708 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.812 -2.882 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -15.475 -4.438 -6.847 1.00 0.00 H new ATOM 0 HE ARG A 101 -16.091 -3.711 -4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -17.090 -3.381 -7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -18.776 -3.039 -7.045 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -18.272 -3.270 -3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -19.446 -2.976 -4.824 1.00 0.00 H new ATOM 1466 N GLU A 102 -14.720 -8.783 -3.747 1.00 0.00 N ATOM 1467 CA GLU A 102 -15.706 -9.625 -3.092 1.00 0.00 C ATOM 1468 C GLU A 102 -15.435 -9.689 -1.588 1.00 0.00 C ATOM 1469 O GLU A 102 -16.366 -9.659 -0.784 1.00 0.00 O ATOM 1470 CB GLU A 102 -15.724 -11.026 -3.706 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.366 -11.712 -3.547 1.00 0.00 C ATOM 1472 CD GLU A 102 -14.279 -12.965 -4.421 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -14.372 -12.803 -5.657 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -14.122 -14.057 -3.833 1.00 0.00 O ATOM 0 H GLU A 102 -14.179 -9.248 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.691 -9.184 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.497 -11.627 -3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -15.981 -10.960 -4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.570 -11.019 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.211 -11.981 -2.502 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.156 -9.774 -1.252 1.00 0.00 N ATOM 1482 CA LEU A 103 -13.751 -9.842 0.142 1.00 0.00 C ATOM 1483 C LEU A 103 -14.604 -8.874 0.964 1.00 0.00 C ATOM 1484 O LEU A 103 -15.049 -9.211 2.060 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.246 -9.602 0.275 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.344 -10.524 -0.548 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -9.869 -10.281 -0.223 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -11.738 -11.990 -0.357 1.00 0.00 C ATOM 0 H LEU A 103 -13.387 -9.797 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.927 -10.841 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.036 -8.571 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.974 -9.703 1.326 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.485 -10.287 -1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.250 -10.949 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.612 -9.247 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.693 -10.474 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.081 -12.624 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.644 -12.258 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.770 -12.134 -0.677 1.00 0.00 H new ATOM 1500 N PHE A 104 -14.805 -7.691 0.404 1.00 0.00 N ATOM 1501 CA PHE A 104 -15.596 -6.671 1.071 1.00 0.00 C ATOM 1502 C PHE A 104 -16.998 -6.581 0.465 1.00 0.00 C ATOM 1503 O PHE A 104 -17.994 -6.621 1.186 1.00 0.00 O ATOM 1504 CB PHE A 104 -14.876 -5.338 0.862 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.390 -5.370 1.226 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -13.005 -5.259 2.525 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -12.454 -5.509 0.249 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.626 -5.289 2.862 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.075 -5.538 0.586 1.00 0.00 C ATOM 1510 CZ PHE A 104 -10.690 -5.428 1.886 1.00 0.00 C ATOM 0 H PHE A 104 -14.433 -7.415 -0.505 1.00 0.00 H new ATOM 0 HA PHE A 104 -15.701 -6.914 2.128 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -14.978 -5.042 -0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.370 -4.572 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.748 -5.148 3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.760 -5.597 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.321 -5.201 3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.332 -5.647 -0.190 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.641 -5.451 2.143 1.00 0.00 H new ATOM 1520 N MET A 105 -17.031 -6.459 -0.854 1.00 0.00 N ATOM 1521 CA MET A 105 -18.294 -6.362 -1.566 1.00 0.00 C ATOM 1522 C MET A 105 -19.080 -5.127 -1.122 1.00 0.00 C ATOM 1523 O MET A 105 -18.692 -4.448 -0.172 1.00 0.00 O ATOM 1524 CB MET A 105 -19.126 -7.619 -1.302 1.00 0.00 C ATOM 1525 CG MET A 105 -19.236 -8.478 -2.563 1.00 0.00 C ATOM 1526 SD MET A 105 -20.942 -8.912 -2.859 1.00 0.00 S ATOM 1527 CE MET A 105 -21.170 -10.153 -1.597 1.00 0.00 C ATOM 0 H MET A 105 -16.203 -6.425 -1.448 1.00 0.00 H new ATOM 0 HA MET A 105 -18.083 -6.272 -2.632 1.00 0.00 H new ATOM 0 HB2 MET A 105 -18.670 -8.200 -0.501 1.00 0.00 H new ATOM 0 HB3 MET A 105 -20.122 -7.335 -0.963 1.00 0.00 H new ATOM 0 HG2 MET A 105 -18.837 -7.934 -3.419 1.00 0.00 H new ATOM 0 HG3 MET A 105 -18.636 -9.381 -2.451 1.00 0.00 H new ATOM 0 HE1 MET A 105 -22.190 -10.534 -1.641 1.00 0.00 H new ATOM 0 HE2 MET A 105 -20.470 -10.972 -1.761 1.00 0.00 H new ATOM 0 HE3 MET A 105 -20.989 -9.712 -0.617 1.00 0.00 H new ATOM 1537 N THR A 106 -20.170 -4.872 -1.831 1.00 0.00 N ATOM 1538 CA THR A 106 -21.013 -3.730 -1.523 1.00 0.00 C ATOM 1539 C THR A 106 -21.794 -3.977 -0.230 1.00 0.00 C ATOM 1540 O THR A 106 -22.537 -4.952 -0.126 1.00 0.00 O ATOM 1541 CB THR A 106 -21.911 -3.465 -2.733 1.00 0.00 C ATOM 1542 OG1 THR A 106 -22.361 -2.126 -2.544 1.00 0.00 O ATOM 1543 CG2 THR A 106 -23.194 -4.297 -2.704 1.00 0.00 C ATOM 0 H THR A 106 -20.489 -5.437 -2.618 1.00 0.00 H new ATOM 0 HA THR A 106 -20.416 -2.836 -1.340 1.00 0.00 H new ATOM 0 HB THR A 106 -21.360 -3.681 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 106 -22.949 -1.871 -3.285 1.00 0.00 H new ATOM 0 HG21 THR A 106 -23.795 -4.070 -3.585 1.00 0.00 H new ATOM 0 HG22 THR A 106 -22.940 -5.357 -2.701 1.00 0.00 H new ATOM 0 HG23 THR A 106 -23.763 -4.057 -1.806 1.00 0.00 H new ATOM 1551 N ASP A 107 -21.598 -3.078 0.723 1.00 0.00 N ATOM 1552 CA ASP A 107 -22.274 -3.187 2.004 1.00 0.00 C ATOM 1553 C ASP A 107 -22.629 -1.786 2.509 1.00 0.00 C ATOM 1554 O ASP A 107 -21.790 -0.887 2.494 1.00 0.00 O ATOM 1555 CB ASP A 107 -21.374 -3.852 3.048 1.00 0.00 C ATOM 1556 CG ASP A 107 -22.112 -4.489 4.227 1.00 0.00 C ATOM 1557 OD1 ASP A 107 -22.536 -3.718 5.114 1.00 0.00 O ATOM 1558 OD2 ASP A 107 -22.236 -5.732 4.213 1.00 0.00 O ATOM 0 H ASP A 107 -20.981 -2.271 0.634 1.00 0.00 H new ATOM 0 HA ASP A 107 -23.169 -3.792 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -20.777 -4.619 2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -20.679 -3.107 3.434 1.00 0.00 H new ATOM 1563 N ARG A 108 -23.872 -1.646 2.944 1.00 0.00 N ATOM 1564 CA ARG A 108 -24.348 -0.371 3.453 1.00 0.00 C ATOM 1565 C ARG A 108 -24.539 -0.442 4.969 1.00 0.00 C ATOM 1566 O ARG A 108 -24.522 -1.526 5.550 1.00 0.00 O ATOM 1567 CB ARG A 108 -25.672 0.025 2.797 1.00 0.00 C ATOM 1568 CG ARG A 108 -25.433 0.894 1.560 1.00 0.00 C ATOM 1569 CD ARG A 108 -26.321 2.140 1.586 1.00 0.00 C ATOM 1570 NE ARG A 108 -25.612 3.280 0.964 1.00 0.00 N ATOM 1571 CZ ARG A 108 -26.207 4.420 0.588 1.00 0.00 C ATOM 1572 NH1 ARG A 108 -27.525 4.579 0.770 1.00 0.00 N ATOM 1573 NH2 ARG A 108 -25.484 5.402 0.032 1.00 0.00 N ATOM 0 H ARG A 108 -24.565 -2.395 2.955 1.00 0.00 H new ATOM 0 HA ARG A 108 -23.597 0.382 3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -26.225 -0.871 2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -26.289 0.568 3.513 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -24.385 1.191 1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -25.638 0.315 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -27.251 1.945 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -26.588 2.385 2.614 1.00 0.00 H new ATOM 0 HE ARG A 108 -24.607 3.193 0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -28.075 3.832 1.195 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -27.978 5.447 0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -24.480 5.282 -0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -25.937 6.270 -0.254 1.00 0.00 H new ATOM 1587 N SER A 109 -24.717 0.727 5.567 1.00 0.00 N ATOM 1588 CA SER A 109 -24.911 0.811 7.004 1.00 0.00 C ATOM 1589 C SER A 109 -25.639 2.110 7.359 1.00 0.00 C ATOM 1590 O SER A 109 -25.350 3.162 6.791 1.00 0.00 O ATOM 1591 CB SER A 109 -23.576 0.732 7.746 1.00 0.00 C ATOM 1592 OG SER A 109 -23.533 -0.367 8.653 1.00 0.00 O ATOM 0 H SER A 109 -24.731 1.624 5.082 1.00 0.00 H new ATOM 0 HA SER A 109 -25.520 -0.037 7.316 1.00 0.00 H new ATOM 0 HB2 SER A 109 -22.765 0.638 7.024 1.00 0.00 H new ATOM 0 HB3 SER A 109 -23.410 1.660 8.293 1.00 0.00 H new ATOM 0 HG SER A 109 -22.664 -0.384 9.106 1.00 0.00 H new ATOM 1598 N GLY A 110 -26.568 1.993 8.296 1.00 0.00 N ATOM 1599 CA GLY A 110 -27.339 3.144 8.733 1.00 0.00 C ATOM 1600 C GLY A 110 -26.510 4.042 9.653 1.00 0.00 C ATOM 1601 O GLY A 110 -26.107 3.623 10.737 1.00 0.00 O ATOM 0 H GLY A 110 -26.804 1.118 8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -27.671 3.714 7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -28.234 2.809 9.256 1.00 0.00 H new ATOM 1605 N PRO A 111 -26.273 5.293 9.174 1.00 0.00 N ATOM 1606 CA PRO A 111 -25.499 6.254 9.942 1.00 0.00 C ATOM 1607 C PRO A 111 -26.320 6.816 11.104 1.00 0.00 C ATOM 1608 O PRO A 111 -27.413 7.343 10.899 1.00 0.00 O ATOM 1609 CB PRO A 111 -25.085 7.317 8.938 1.00 0.00 C ATOM 1610 CG PRO A 111 -26.025 7.160 7.753 1.00 0.00 C ATOM 1611 CD PRO A 111 -26.735 5.824 7.895 1.00 0.00 C ATOM 0 HA PRO A 111 -24.623 5.808 10.414 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -25.165 8.314 9.370 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -24.047 7.183 8.633 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -26.748 7.976 7.728 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -25.469 7.199 6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -27.818 5.948 7.886 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -26.484 5.153 7.074 1.00 0.00 H new ATOM 1619 N SER A 112 -25.762 6.686 12.298 1.00 0.00 N ATOM 1620 CA SER A 112 -26.428 7.175 13.493 1.00 0.00 C ATOM 1621 C SER A 112 -27.861 6.641 13.548 1.00 0.00 C ATOM 1622 O SER A 112 -28.817 7.407 13.431 1.00 0.00 O ATOM 1623 CB SER A 112 -26.429 8.704 13.537 1.00 0.00 C ATOM 1624 OG SER A 112 -26.139 9.201 14.841 1.00 0.00 O ATOM 0 H SER A 112 -24.855 6.249 12.464 1.00 0.00 H new ATOM 0 HA SER A 112 -25.879 6.815 14.363 1.00 0.00 H new ATOM 0 HB2 SER A 112 -25.693 9.087 12.831 1.00 0.00 H new ATOM 0 HB3 SER A 112 -27.402 9.075 13.216 1.00 0.00 H new ATOM 0 HG SER A 112 -26.147 10.181 14.827 1.00 0.00 H new ATOM 1630 N SER A 113 -27.965 5.333 13.726 1.00 0.00 N ATOM 1631 CA SER A 113 -29.266 4.688 13.798 1.00 0.00 C ATOM 1632 C SER A 113 -30.101 5.058 12.571 1.00 0.00 C ATOM 1633 O SER A 113 -31.011 5.881 12.660 1.00 0.00 O ATOM 1634 CB SER A 113 -30.004 5.078 15.080 1.00 0.00 C ATOM 1635 OG SER A 113 -30.172 3.969 15.958 1.00 0.00 O ATOM 0 H SER A 113 -27.170 4.701 13.823 1.00 0.00 H new ATOM 0 HA SER A 113 -29.113 3.609 13.814 1.00 0.00 H new ATOM 0 HB2 SER A 113 -29.450 5.865 15.592 1.00 0.00 H new ATOM 0 HB3 SER A 113 -30.981 5.490 14.825 1.00 0.00 H new ATOM 0 HG SER A 113 -30.646 4.260 16.765 1.00 0.00 H new ATOM 1641 N GLY A 114 -29.763 4.431 11.454 1.00 0.00 N ATOM 1642 CA GLY A 114 -30.471 4.684 10.210 1.00 0.00 C ATOM 1643 C GLY A 114 -31.968 4.409 10.366 1.00 0.00 C ATOM 1644 O GLY A 114 -32.791 5.035 9.700 1.00 0.00 O ATOM 0 H GLY A 114 -29.008 3.748 11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -30.318 5.719 9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -30.062 4.054 9.420 1.00 0.00 H new TER 1648 GLY A 114