USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 938 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 91 SER OG : rot -74:sc= 0.505 USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0.476 USER MOD Set 2.1: A 66 TYR OH : rot 180:sc= 1.06 USER MOD Set 2.2: A 74 THR OG1 : rot -170:sc= 0 USER MOD Set 3.1: A 50 LYS NZ :NH3+ -123:sc= 0.668 (180deg=-0.0981) USER MOD Set 3.2: A 53 ASN : amide:sc= 0 X(o=1.4,f=0.94) USER MOD Set 3.3: A 89 THR OG1 : rot -130:sc= 0.702 USER MOD Set 3.4: A 102 ASN : amide:sc= 0 K(o=1.4,f=2) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.181 (180deg=-0.661) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.0633 (180deg=-0.0938) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 4 HIS : no HD1:sc= -0.0595 X(o=-0.06,f=-0.0051) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.47) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 166:sc= 0 (180deg=-0.281) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= -0.0388 (180deg=-0.242) USER MOD Single : A 26 LYS NZ :NH3+ -139:sc= -1.48 (180deg=-4.07!) USER MOD Single : A 32 SER OG : rot 170:sc= -0.286 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 0.685 (180deg=0.561) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.271 USER MOD Single : A 38 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.1!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.13 K(o=-1.1,f=-9.5!) USER MOD Single : A 55 MET CE :methyl -153:sc= -2.1 (180deg=-3.3!) USER MOD Single : A 57 GLN : amide:sc= -0.0264 X(o=-0.026,f=-0.026) USER MOD Single : A 59 ASN : amide:sc= -2.14 K(o=-2.1,f=-0.023) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 69 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.021) USER MOD Single : A 70 THR OG1 : rot -29:sc= 0.749 USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= -0.06 (180deg=-0.371) USER MOD Single : A 81 ASN : amide:sc= -3.13! K(o=-3.1!,f=-0.36) USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= -0.947 (180deg=-1.05) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0176 USER MOD Single : A 94 ASN : amide:sc= 0.409 K(o=0.41,f=-6.2!) USER MOD Single : A 99 THR OG1 : rot -123:sc= 1.21 USER MOD Single : A 101 CYS SG : rot 41:sc= -0.492! USER MOD Single : A 103 THR OG1 : rot 178:sc= -0.906 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.546 K(o=-0.55,f=-8.9!) USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 114 THR OG1 : rot 180:sc=-0.00528 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 45.760 -18.847 2.119 1.00 45.42 N ATOM 2 CA MET A 1 46.921 -17.939 2.360 1.00 23.03 C ATOM 3 C MET A 1 47.122 -17.630 3.859 1.00 4.24 C ATOM 4 O MET A 1 48.258 -17.532 4.330 1.00 50.51 O ATOM 5 CB MET A 1 46.747 -16.626 1.573 1.00 73.41 C ATOM 6 CG MET A 1 45.506 -15.826 1.954 1.00 20.24 C ATOM 7 SD MET A 1 45.333 -14.309 0.991 1.00 61.55 S ATOM 8 CE MET A 1 46.831 -13.434 1.445 1.00 22.32 C ATOM 0 H1 MET A 1 45.623 -18.971 1.096 1.00 45.42 H new ATOM 0 H2 MET A 1 45.945 -19.771 2.558 1.00 45.42 H new ATOM 0 H3 MET A 1 44.902 -18.431 2.535 1.00 45.42 H new ATOM 0 HA MET A 1 47.812 -18.460 2.010 1.00 23.03 H new ATOM 0 HB2 MET A 1 47.628 -16.003 1.728 1.00 73.41 H new ATOM 0 HB3 MET A 1 46.703 -16.857 0.509 1.00 73.41 H new ATOM 0 HG2 MET A 1 44.621 -16.446 1.810 1.00 20.24 H new ATOM 0 HG3 MET A 1 45.551 -15.576 3.014 1.00 20.24 H new ATOM 0 HE1 MET A 1 46.717 -12.375 1.215 1.00 22.32 H new ATOM 0 HE2 MET A 1 47.014 -13.556 2.512 1.00 22.32 H new ATOM 0 HE3 MET A 1 47.673 -13.839 0.884 1.00 22.32 H new ATOM 20 N GLY A 2 46.022 -17.478 4.606 1.00 52.42 N ATOM 21 CA GLY A 2 46.113 -17.130 6.029 1.00 21.25 C ATOM 22 C GLY A 2 45.892 -18.322 6.960 1.00 33.33 C ATOM 23 O GLY A 2 45.738 -19.456 6.503 1.00 40.00 O ATOM 0 H GLY A 2 45.071 -17.589 4.255 1.00 52.42 H new ATOM 0 HA2 GLY A 2 47.094 -16.700 6.228 1.00 21.25 H new ATOM 0 HA3 GLY A 2 45.375 -16.360 6.255 1.00 21.25 H new ATOM 27 N HIS A 3 45.886 -18.066 8.272 1.00 3.03 N ATOM 28 CA HIS A 3 45.668 -19.126 9.272 1.00 15.24 C ATOM 29 C HIS A 3 44.370 -18.911 10.077 1.00 62.03 C ATOM 30 O HIS A 3 44.037 -19.719 10.946 1.00 71.14 O ATOM 31 CB HIS A 3 46.856 -19.208 10.242 1.00 25.43 C ATOM 32 CG HIS A 3 48.171 -19.487 9.580 1.00 20.21 C ATOM 33 ND1 HIS A 3 49.312 -18.767 9.849 1.00 61.22 N ATOM 34 CD2 HIS A 3 48.532 -20.430 8.676 1.00 11.43 C ATOM 35 CE1 HIS A 3 50.313 -19.252 9.148 1.00 20.53 C ATOM 36 NE2 HIS A 3 49.871 -20.259 8.429 1.00 31.12 N ATOM 0 H HIS A 3 46.029 -17.138 8.670 1.00 3.03 H new ATOM 0 HA HIS A 3 45.575 -20.062 8.720 1.00 15.24 H new ATOM 0 HB2 HIS A 3 46.930 -18.268 10.789 1.00 25.43 H new ATOM 0 HB3 HIS A 3 46.658 -19.989 10.976 1.00 25.43 H new ATOM 0 HD2 HIS A 3 47.888 -21.175 8.234 1.00 11.43 H new ATOM 0 HE1 HIS A 3 51.328 -18.884 9.161 1.00 20.53 H new ATOM 0 HE2 HIS A 3 50.432 -20.823 7.790 1.00 31.12 H new ATOM 45 N HIS A 4 43.648 -17.821 9.804 1.00 24.04 N ATOM 46 CA HIS A 4 42.379 -17.551 10.497 1.00 45.12 C ATOM 47 C HIS A 4 41.378 -16.801 9.600 1.00 74.41 C ATOM 48 O HIS A 4 41.758 -15.951 8.792 1.00 31.32 O ATOM 49 CB HIS A 4 42.623 -16.767 11.799 1.00 61.40 C ATOM 50 CG HIS A 4 43.210 -15.393 11.612 1.00 13.43 C ATOM 51 ND1 HIS A 4 44.535 -15.096 11.855 1.00 23.23 N ATOM 52 CD2 HIS A 4 42.634 -14.221 11.242 1.00 43.21 C ATOM 53 CE1 HIS A 4 44.746 -13.811 11.645 1.00 54.05 C ATOM 54 NE2 HIS A 4 43.611 -13.259 11.272 1.00 74.25 N ATOM 0 H HIS A 4 43.914 -17.116 9.116 1.00 24.04 H new ATOM 0 HA HIS A 4 41.938 -18.517 10.744 1.00 45.12 H new ATOM 0 HB2 HIS A 4 41.677 -16.672 12.332 1.00 61.40 H new ATOM 0 HB3 HIS A 4 43.290 -17.348 12.436 1.00 61.40 H new ATOM 0 HD2 HIS A 4 41.598 -14.073 10.974 1.00 43.21 H new ATOM 0 HE1 HIS A 4 45.690 -13.299 11.760 1.00 54.05 H new ATOM 0 HE2 HIS A 4 43.479 -12.274 11.042 1.00 74.25 H new ATOM 63 N HIS A 5 40.097 -17.124 9.760 1.00 43.20 N ATOM 64 CA HIS A 5 39.019 -16.469 9.013 1.00 42.13 C ATOM 65 C HIS A 5 37.753 -16.349 9.874 1.00 72.33 C ATOM 66 O HIS A 5 37.305 -17.332 10.467 1.00 2.42 O ATOM 67 CB HIS A 5 38.718 -17.253 7.729 1.00 31.52 C ATOM 68 CG HIS A 5 37.605 -16.666 6.918 1.00 24.13 C ATOM 69 ND1 HIS A 5 37.558 -15.339 6.561 1.00 64.44 N ATOM 70 CD2 HIS A 5 36.484 -17.229 6.407 1.00 72.42 C ATOM 71 CE1 HIS A 5 36.465 -15.107 5.870 1.00 25.43 C ATOM 72 NE2 HIS A 5 35.793 -16.236 5.758 1.00 0.55 N ATOM 0 H HIS A 5 39.775 -17.843 10.407 1.00 43.20 H new ATOM 0 HA HIS A 5 39.345 -15.464 8.746 1.00 42.13 H new ATOM 0 HB2 HIS A 5 39.620 -17.294 7.118 1.00 31.52 H new ATOM 0 HB3 HIS A 5 38.464 -18.280 7.991 1.00 31.52 H new ATOM 0 HD2 HIS A 5 36.189 -18.264 6.494 1.00 72.42 H new ATOM 0 HE1 HIS A 5 36.167 -14.152 5.462 1.00 25.43 H new ATOM 0 HE2 HIS A 5 34.905 -16.352 5.269 1.00 0.55 H new ATOM 81 N HIS A 6 37.177 -15.146 9.927 1.00 20.33 N ATOM 82 CA HIS A 6 36.001 -14.877 10.762 1.00 51.35 C ATOM 83 C HIS A 6 34.818 -15.800 10.420 1.00 44.25 C ATOM 84 O HIS A 6 34.210 -15.683 9.354 1.00 25.43 O ATOM 85 CB HIS A 6 35.573 -13.408 10.623 1.00 13.44 C ATOM 86 CG HIS A 6 34.369 -13.052 11.449 1.00 20.03 C ATOM 87 ND1 HIS A 6 34.403 -12.950 12.822 1.00 61.11 N ATOM 88 CD2 HIS A 6 33.084 -12.792 11.091 1.00 11.00 C ATOM 89 CE1 HIS A 6 33.203 -12.643 13.273 1.00 31.32 C ATOM 90 NE2 HIS A 6 32.387 -12.542 12.247 1.00 4.14 N ATOM 0 H HIS A 6 37.507 -14.338 9.399 1.00 20.33 H new ATOM 0 HA HIS A 6 36.289 -15.079 11.794 1.00 51.35 H new ATOM 0 HB2 HIS A 6 36.405 -12.767 10.913 1.00 13.44 H new ATOM 0 HB3 HIS A 6 35.359 -13.198 9.575 1.00 13.44 H new ATOM 0 HD2 HIS A 6 32.686 -12.784 10.087 1.00 11.00 H new ATOM 0 HE1 HIS A 6 32.936 -12.499 14.309 1.00 31.32 H new ATOM 0 HE2 HIS A 6 31.394 -12.314 12.301 1.00 4.14 H new ATOM 99 N HIS A 7 34.503 -16.707 11.339 1.00 12.20 N ATOM 100 CA HIS A 7 33.362 -17.614 11.196 1.00 74.32 C ATOM 101 C HIS A 7 32.027 -16.848 11.172 1.00 73.14 C ATOM 102 O HIS A 7 31.715 -16.091 12.090 1.00 32.44 O ATOM 103 CB HIS A 7 33.372 -18.628 12.350 1.00 12.51 C ATOM 104 CG HIS A 7 32.156 -19.501 12.420 1.00 43.12 C ATOM 105 ND1 HIS A 7 31.995 -20.639 11.663 1.00 60.32 N ATOM 106 CD2 HIS A 7 31.036 -19.394 13.171 1.00 14.04 C ATOM 107 CE1 HIS A 7 30.834 -21.193 11.944 1.00 3.23 C ATOM 108 NE2 HIS A 7 30.231 -20.458 12.857 1.00 30.44 N ATOM 0 H HIS A 7 35.028 -16.837 12.204 1.00 12.20 H new ATOM 0 HA HIS A 7 33.455 -18.136 10.244 1.00 74.32 H new ATOM 0 HB2 HIS A 7 34.254 -19.262 12.253 1.00 12.51 H new ATOM 0 HB3 HIS A 7 33.470 -18.087 13.291 1.00 12.51 H new ATOM 0 HD2 HIS A 7 30.817 -18.615 13.886 1.00 14.04 H new ATOM 0 HE1 HIS A 7 30.442 -22.097 11.501 1.00 3.23 H new ATOM 0 HE2 HIS A 7 29.315 -20.650 13.263 1.00 30.44 H new ATOM 117 N HIS A 8 31.246 -17.057 10.116 1.00 34.04 N ATOM 118 CA HIS A 8 29.909 -16.459 9.997 1.00 62.31 C ATOM 119 C HIS A 8 28.832 -17.389 10.576 1.00 11.13 C ATOM 120 O HIS A 8 29.129 -18.487 11.050 1.00 1.24 O ATOM 121 CB HIS A 8 29.592 -16.146 8.527 1.00 32.42 C ATOM 122 CG HIS A 8 30.367 -14.992 7.971 1.00 21.25 C ATOM 123 ND1 HIS A 8 29.814 -13.744 7.776 1.00 60.22 N ATOM 124 CD2 HIS A 8 31.654 -14.898 7.562 1.00 41.31 C ATOM 125 CE1 HIS A 8 30.723 -12.936 7.273 1.00 55.24 C ATOM 126 NE2 HIS A 8 31.847 -13.608 7.134 1.00 54.22 N ATOM 0 H HIS A 8 31.514 -17.639 9.322 1.00 34.04 H new ATOM 0 HA HIS A 8 29.906 -15.532 10.570 1.00 62.31 H new ATOM 0 HB2 HIS A 8 29.796 -17.032 7.925 1.00 32.42 H new ATOM 0 HB3 HIS A 8 28.527 -15.935 8.432 1.00 32.42 H new ATOM 0 HD2 HIS A 8 32.390 -15.688 7.571 1.00 41.31 H new ATOM 0 HE1 HIS A 8 30.573 -11.898 7.017 1.00 55.24 H new ATOM 0 HE2 HIS A 8 32.721 -13.231 6.767 1.00 54.22 H new ATOM 135 N SER A 9 27.582 -16.946 10.527 1.00 25.21 N ATOM 136 CA SER A 9 26.456 -17.737 11.043 1.00 1.13 C ATOM 137 C SER A 9 25.505 -18.148 9.915 1.00 41.14 C ATOM 138 O SER A 9 25.494 -17.544 8.841 1.00 24.32 O ATOM 139 CB SER A 9 25.681 -16.944 12.108 1.00 2.33 C ATOM 140 OG SER A 9 26.476 -16.705 13.264 1.00 23.32 O ATOM 0 H SER A 9 27.315 -16.043 10.136 1.00 25.21 H new ATOM 0 HA SER A 9 26.868 -18.639 11.496 1.00 1.13 H new ATOM 0 HB2 SER A 9 25.354 -15.993 11.688 1.00 2.33 H new ATOM 0 HB3 SER A 9 24.783 -17.494 12.390 1.00 2.33 H new ATOM 0 HG SER A 9 25.955 -16.198 13.920 1.00 23.32 H new ATOM 146 N HIS A 10 24.720 -19.195 10.154 1.00 61.41 N ATOM 147 CA HIS A 10 23.699 -19.622 9.195 1.00 33.21 C ATOM 148 C HIS A 10 22.432 -18.772 9.369 1.00 12.52 C ATOM 149 O HIS A 10 21.689 -18.939 10.339 1.00 11.22 O ATOM 150 CB HIS A 10 23.378 -21.114 9.372 1.00 55.40 C ATOM 151 CG HIS A 10 24.575 -22.010 9.225 1.00 61.12 C ATOM 152 ND1 HIS A 10 24.971 -22.559 8.024 1.00 61.22 N ATOM 153 CD2 HIS A 10 25.468 -22.451 10.144 1.00 63.42 C ATOM 154 CE1 HIS A 10 26.049 -23.293 8.210 1.00 34.43 C ATOM 155 NE2 HIS A 10 26.371 -23.244 9.484 1.00 43.00 N ATOM 0 H HIS A 10 24.769 -19.763 11.000 1.00 61.41 H new ATOM 0 HA HIS A 10 24.084 -19.478 8.185 1.00 33.21 H new ATOM 0 HB2 HIS A 10 22.939 -21.268 10.358 1.00 55.40 H new ATOM 0 HB3 HIS A 10 22.625 -21.404 8.639 1.00 55.40 H new ATOM 0 HD2 HIS A 10 25.468 -22.221 11.199 1.00 63.42 H new ATOM 0 HE1 HIS A 10 26.579 -23.842 7.446 1.00 34.43 H new ATOM 0 HE2 HIS A 10 27.165 -23.720 9.912 1.00 43.00 H new ATOM 164 N GLU A 11 22.192 -17.859 8.432 1.00 34.22 N ATOM 165 CA GLU A 11 21.103 -16.884 8.565 1.00 54.20 C ATOM 166 C GLU A 11 19.808 -17.371 7.897 1.00 61.13 C ATOM 167 O GLU A 11 19.832 -18.020 6.847 1.00 25.53 O ATOM 168 CB GLU A 11 21.536 -15.529 7.984 1.00 63.45 C ATOM 169 CG GLU A 11 22.687 -14.883 8.756 1.00 32.20 C ATOM 170 CD GLU A 11 23.132 -13.552 8.169 1.00 13.35 C ATOM 171 OE1 GLU A 11 22.427 -12.540 8.368 1.00 55.40 O ATOM 172 OE2 GLU A 11 24.195 -13.513 7.512 1.00 65.51 O ATOM 0 H GLU A 11 22.733 -17.770 7.572 1.00 34.22 H new ATOM 0 HA GLU A 11 20.890 -16.767 9.628 1.00 54.20 H new ATOM 0 HB2 GLU A 11 21.835 -15.665 6.945 1.00 63.45 H new ATOM 0 HB3 GLU A 11 20.682 -14.852 7.983 1.00 63.45 H new ATOM 0 HG2 GLU A 11 22.381 -14.732 9.791 1.00 32.20 H new ATOM 0 HG3 GLU A 11 23.535 -15.568 8.771 1.00 32.20 H new ATOM 179 N HIS A 12 18.682 -17.036 8.519 1.00 4.23 N ATOM 180 CA HIS A 12 17.370 -17.547 8.107 1.00 11.25 C ATOM 181 C HIS A 12 16.754 -16.691 6.991 1.00 13.33 C ATOM 182 O HIS A 12 16.721 -15.467 7.086 1.00 10.31 O ATOM 183 CB HIS A 12 16.424 -17.574 9.315 1.00 43.13 C ATOM 184 CG HIS A 12 17.033 -18.172 10.548 1.00 64.11 C ATOM 185 ND1 HIS A 12 17.218 -19.526 10.717 1.00 60.14 N ATOM 186 CD2 HIS A 12 17.508 -17.590 11.677 1.00 4.34 C ATOM 187 CE1 HIS A 12 17.780 -19.751 11.887 1.00 44.33 C ATOM 188 NE2 HIS A 12 17.968 -18.596 12.489 1.00 73.34 N ATOM 0 H HIS A 12 18.648 -16.406 9.320 1.00 4.23 H new ATOM 0 HA HIS A 12 17.510 -18.556 7.719 1.00 11.25 H new ATOM 0 HB2 HIS A 12 16.104 -16.556 9.537 1.00 43.13 H new ATOM 0 HB3 HIS A 12 15.530 -18.139 9.052 1.00 43.13 H new ATOM 0 HD2 HIS A 12 17.522 -16.533 11.896 1.00 4.34 H new ATOM 0 HE1 HIS A 12 18.042 -20.720 12.285 1.00 44.33 H new ATOM 0 HE2 HIS A 12 18.388 -18.469 13.410 1.00 73.34 H new ATOM 197 N LYS A 13 16.259 -17.341 5.936 1.00 53.20 N ATOM 198 CA LYS A 13 15.589 -16.634 4.837 1.00 13.10 C ATOM 199 C LYS A 13 14.094 -16.982 4.776 1.00 41.44 C ATOM 200 O LYS A 13 13.718 -18.140 4.608 1.00 45.32 O ATOM 201 CB LYS A 13 16.258 -16.961 3.492 1.00 4.45 C ATOM 202 CG LYS A 13 17.696 -16.462 3.376 1.00 44.24 C ATOM 203 CD LYS A 13 18.236 -16.587 1.950 1.00 35.32 C ATOM 204 CE LYS A 13 18.271 -18.035 1.468 1.00 52.44 C ATOM 205 NZ LYS A 13 18.763 -18.142 0.067 1.00 13.30 N ATOM 0 H LYS A 13 16.308 -18.353 5.817 1.00 53.20 H new ATOM 0 HA LYS A 13 15.684 -15.565 5.030 1.00 13.10 H new ATOM 0 HB2 LYS A 13 16.246 -18.041 3.345 1.00 4.45 H new ATOM 0 HB3 LYS A 13 15.666 -16.523 2.688 1.00 4.45 H new ATOM 0 HG2 LYS A 13 17.744 -15.420 3.691 1.00 44.24 H new ATOM 0 HG3 LYS A 13 18.332 -17.030 4.055 1.00 44.24 H new ATOM 0 HD2 LYS A 13 17.615 -15.997 1.276 1.00 35.32 H new ATOM 0 HD3 LYS A 13 19.241 -16.168 1.907 1.00 35.32 H new ATOM 0 HE2 LYS A 13 18.915 -18.621 2.124 1.00 52.44 H new ATOM 0 HE3 LYS A 13 17.271 -18.464 1.536 1.00 52.44 H new ATOM 0 HZ1 LYS A 13 18.772 -19.141 -0.223 1.00 13.30 H new ATOM 0 HZ2 LYS A 13 18.135 -17.604 -0.564 1.00 13.30 H new ATOM 0 HZ3 LYS A 13 19.727 -17.756 0.007 1.00 13.30 H new ATOM 219 N ARG A 14 13.250 -15.963 4.899 1.00 11.24 N ATOM 220 CA ARG A 14 11.794 -16.137 4.864 1.00 21.33 C ATOM 221 C ARG A 14 11.176 -15.305 3.734 1.00 54.15 C ATOM 222 O ARG A 14 11.481 -14.119 3.594 1.00 14.11 O ATOM 223 CB ARG A 14 11.184 -15.694 6.202 1.00 5.13 C ATOM 224 CG ARG A 14 9.677 -15.928 6.318 1.00 73.24 C ATOM 225 CD ARG A 14 9.340 -17.378 6.652 1.00 71.21 C ATOM 226 NE ARG A 14 9.756 -17.731 8.010 1.00 52.11 N ATOM 227 CZ ARG A 14 8.946 -18.186 8.930 1.00 11.15 C ATOM 228 NH1 ARG A 14 7.690 -18.368 8.673 1.00 72.45 N ATOM 229 NH2 ARG A 14 9.392 -18.446 10.111 1.00 54.51 N ATOM 0 H ARG A 14 13.549 -14.996 5.025 1.00 11.24 H new ATOM 0 HA ARG A 14 11.580 -17.191 4.688 1.00 21.33 H new ATOM 0 HB2 ARG A 14 11.685 -16.227 7.010 1.00 5.13 H new ATOM 0 HB3 ARG A 14 11.387 -14.633 6.346 1.00 5.13 H new ATOM 0 HG2 ARG A 14 9.269 -15.275 7.090 1.00 73.24 H new ATOM 0 HG3 ARG A 14 9.196 -15.652 5.380 1.00 73.24 H new ATOM 0 HD2 ARG A 14 8.266 -17.536 6.548 1.00 71.21 H new ATOM 0 HD3 ARG A 14 9.830 -18.039 5.938 1.00 71.21 H new ATOM 0 HE ARG A 14 10.740 -17.615 8.254 1.00 52.11 H new ATOM 0 HH11 ARG A 14 7.323 -18.156 7.745 1.00 72.45 H new ATOM 0 HH12 ARG A 14 7.067 -18.723 9.398 1.00 72.45 H new ATOM 0 HH21 ARG A 14 10.377 -18.297 10.328 1.00 54.51 H new ATOM 0 HH22 ARG A 14 8.760 -18.801 10.828 1.00 54.51 H new ATOM 243 N ALA A 15 10.306 -15.918 2.934 1.00 42.44 N ATOM 244 CA ALA A 15 9.594 -15.189 1.881 1.00 21.11 C ATOM 245 C ALA A 15 8.480 -14.320 2.487 1.00 22.43 C ATOM 246 O ALA A 15 7.810 -14.738 3.433 1.00 65.01 O ATOM 247 CB ALA A 15 9.022 -16.161 0.852 1.00 1.41 C ATOM 0 H ALA A 15 10.077 -16.910 2.992 1.00 42.44 H new ATOM 0 HA ALA A 15 10.302 -14.533 1.375 1.00 21.11 H new ATOM 0 HB1 ALA A 15 8.496 -15.603 0.077 1.00 1.41 H new ATOM 0 HB2 ALA A 15 9.833 -16.732 0.401 1.00 1.41 H new ATOM 0 HB3 ALA A 15 8.327 -16.843 1.342 1.00 1.41 H new ATOM 253 N PRO A 16 8.264 -13.097 1.962 1.00 71.03 N ATOM 254 CA PRO A 16 7.240 -12.181 2.497 1.00 14.32 C ATOM 255 C PRO A 16 5.827 -12.797 2.497 1.00 74.43 C ATOM 256 O PRO A 16 5.341 -13.277 1.470 1.00 64.32 O ATOM 257 CB PRO A 16 7.315 -10.962 1.558 1.00 23.12 C ATOM 258 CG PRO A 16 8.042 -11.443 0.344 1.00 60.40 C ATOM 259 CD PRO A 16 8.983 -12.514 0.817 1.00 2.24 C ATOM 0 HA PRO A 16 7.426 -11.934 3.542 1.00 14.32 H new ATOM 0 HB2 PRO A 16 6.319 -10.601 1.302 1.00 23.12 H new ATOM 0 HB3 PRO A 16 7.843 -10.134 2.030 1.00 23.12 H new ATOM 0 HG2 PRO A 16 7.346 -11.836 -0.397 1.00 60.40 H new ATOM 0 HG3 PRO A 16 8.587 -10.628 -0.132 1.00 60.40 H new ATOM 0 HD2 PRO A 16 9.176 -13.255 0.041 1.00 2.24 H new ATOM 0 HD3 PRO A 16 9.948 -12.103 1.112 1.00 2.24 H new ATOM 267 N MET A 17 5.176 -12.777 3.659 1.00 64.14 N ATOM 268 CA MET A 17 3.848 -13.380 3.832 1.00 4.24 C ATOM 269 C MET A 17 2.814 -12.352 4.322 1.00 3.35 C ATOM 270 O MET A 17 2.992 -11.736 5.377 1.00 2.34 O ATOM 271 CB MET A 17 3.946 -14.551 4.827 1.00 62.41 C ATOM 272 CG MET A 17 2.605 -15.038 5.367 1.00 0.50 C ATOM 273 SD MET A 17 1.491 -15.632 4.081 1.00 2.53 S ATOM 274 CE MET A 17 0.041 -16.011 5.062 1.00 52.24 C ATOM 0 H MET A 17 5.549 -12.346 4.505 1.00 64.14 H new ATOM 0 HA MET A 17 3.509 -13.745 2.862 1.00 4.24 H new ATOM 0 HB2 MET A 17 4.451 -15.385 4.339 1.00 62.41 H new ATOM 0 HB3 MET A 17 4.572 -14.247 5.666 1.00 62.41 H new ATOM 0 HG2 MET A 17 2.780 -15.839 6.085 1.00 0.50 H new ATOM 0 HG3 MET A 17 2.122 -14.224 5.909 1.00 0.50 H new ATOM 0 HE1 MET A 17 -0.817 -16.152 4.404 1.00 52.24 H new ATOM 0 HE2 MET A 17 0.215 -16.924 5.632 1.00 52.24 H new ATOM 0 HE3 MET A 17 -0.159 -15.188 5.748 1.00 52.24 H new ATOM 284 N PHE A 18 1.737 -12.169 3.553 1.00 24.43 N ATOM 285 CA PHE A 18 0.626 -11.304 3.971 1.00 75.02 C ATOM 286 C PHE A 18 -0.180 -11.965 5.101 1.00 51.23 C ATOM 287 O PHE A 18 -0.942 -12.904 4.867 1.00 21.21 O ATOM 288 CB PHE A 18 -0.311 -10.997 2.790 1.00 22.11 C ATOM 289 CG PHE A 18 0.301 -10.134 1.712 1.00 55.54 C ATOM 290 CD1 PHE A 18 0.517 -8.780 1.931 1.00 13.11 C ATOM 291 CD2 PHE A 18 0.644 -10.671 0.478 1.00 61.40 C ATOM 292 CE1 PHE A 18 1.062 -7.982 0.943 1.00 51.20 C ATOM 293 CE2 PHE A 18 1.192 -9.875 -0.511 1.00 24.43 C ATOM 294 CZ PHE A 18 1.402 -8.529 -0.279 1.00 50.21 C ATOM 0 H PHE A 18 1.609 -12.606 2.640 1.00 24.43 H new ATOM 0 HA PHE A 18 1.056 -10.370 4.333 1.00 75.02 H new ATOM 0 HB2 PHE A 18 -0.634 -11.938 2.345 1.00 22.11 H new ATOM 0 HB3 PHE A 18 -1.204 -10.502 3.171 1.00 22.11 H new ATOM 0 HD1 PHE A 18 0.256 -8.345 2.885 1.00 13.11 H new ATOM 0 HD2 PHE A 18 0.481 -11.722 0.289 1.00 61.40 H new ATOM 0 HE1 PHE A 18 1.222 -6.930 1.126 1.00 51.20 H new ATOM 0 HE2 PHE A 18 1.456 -10.306 -1.466 1.00 24.43 H new ATOM 0 HZ PHE A 18 1.831 -7.907 -1.051 1.00 50.21 H new ATOM 304 N ILE A 19 -0.001 -11.475 6.324 1.00 24.43 N ATOM 305 CA ILE A 19 -0.709 -12.017 7.491 1.00 72.05 C ATOM 306 C ILE A 19 -2.180 -11.567 7.512 1.00 42.33 C ATOM 307 O ILE A 19 -3.075 -12.329 7.882 1.00 15.54 O ATOM 308 CB ILE A 19 -0.022 -11.576 8.810 1.00 71.34 C ATOM 309 CG1 ILE A 19 1.475 -11.930 8.780 1.00 63.31 C ATOM 310 CG2 ILE A 19 -0.707 -12.222 10.014 1.00 40.04 C ATOM 311 CD1 ILE A 19 2.244 -11.454 9.997 1.00 32.34 C ATOM 0 H ILE A 19 0.629 -10.702 6.538 1.00 24.43 H new ATOM 0 HA ILE A 19 -0.673 -13.103 7.411 1.00 72.05 H new ATOM 0 HB ILE A 19 -0.117 -10.494 8.905 1.00 71.34 H new ATOM 0 HG12 ILE A 19 1.581 -13.012 8.696 1.00 63.31 H new ATOM 0 HG13 ILE A 19 1.923 -11.495 7.886 1.00 63.31 H new ATOM 0 HG21 ILE A 19 -0.211 -11.901 10.930 1.00 40.04 H new ATOM 0 HG22 ILE A 19 -1.754 -11.920 10.043 1.00 40.04 H new ATOM 0 HG23 ILE A 19 -0.645 -13.307 9.929 1.00 40.04 H new ATOM 0 HD11 ILE A 19 3.291 -11.742 9.901 1.00 32.34 H new ATOM 0 HD12 ILE A 19 2.171 -10.369 10.072 1.00 32.34 H new ATOM 0 HD13 ILE A 19 1.823 -11.909 10.894 1.00 32.34 H new ATOM 323 N TYR A 20 -2.419 -10.322 7.105 1.00 70.14 N ATOM 324 CA TYR A 20 -3.774 -9.766 7.044 1.00 61.51 C ATOM 325 C TYR A 20 -4.010 -9.065 5.704 1.00 2.03 C ATOM 326 O TYR A 20 -3.143 -8.344 5.211 1.00 40.03 O ATOM 327 CB TYR A 20 -4.006 -8.767 8.188 1.00 72.23 C ATOM 328 CG TYR A 20 -3.894 -9.373 9.578 1.00 74.54 C ATOM 329 CD1 TYR A 20 -4.852 -10.263 10.050 1.00 1.24 C ATOM 330 CD2 TYR A 20 -2.837 -9.044 10.421 1.00 12.23 C ATOM 331 CE1 TYR A 20 -4.757 -10.809 11.318 1.00 45.44 C ATOM 332 CE2 TYR A 20 -2.736 -9.587 11.689 1.00 44.04 C ATOM 333 CZ TYR A 20 -3.699 -10.468 12.133 1.00 41.42 C ATOM 334 OH TYR A 20 -3.602 -11.011 13.394 1.00 3.12 O ATOM 0 H TYR A 20 -1.689 -9.674 6.810 1.00 70.14 H new ATOM 0 HA TYR A 20 -4.477 -10.593 7.145 1.00 61.51 H new ATOM 0 HB2 TYR A 20 -3.284 -7.956 8.099 1.00 72.23 H new ATOM 0 HB3 TYR A 20 -4.996 -8.326 8.075 1.00 72.23 H new ATOM 0 HD1 TYR A 20 -5.684 -10.533 9.417 1.00 1.24 H new ATOM 0 HD2 TYR A 20 -2.082 -8.352 10.079 1.00 12.23 H new ATOM 0 HE1 TYR A 20 -5.509 -11.500 11.668 1.00 45.44 H new ATOM 0 HE2 TYR A 20 -1.907 -9.322 12.328 1.00 44.04 H new ATOM 0 HH TYR A 20 -2.798 -10.668 13.837 1.00 3.12 H new ATOM 344 N LYS A 21 -5.183 -9.284 5.124 1.00 11.24 N ATOM 345 CA LYS A 21 -5.544 -8.671 3.842 1.00 72.52 C ATOM 346 C LYS A 21 -5.794 -7.155 3.978 1.00 64.13 C ATOM 347 O LYS A 21 -6.290 -6.686 5.006 1.00 3.53 O ATOM 348 CB LYS A 21 -6.802 -9.350 3.276 1.00 62.04 C ATOM 349 CG LYS A 21 -8.045 -9.175 4.151 1.00 54.45 C ATOM 350 CD LYS A 21 -9.280 -9.826 3.534 1.00 43.53 C ATOM 351 CE LYS A 21 -9.119 -11.333 3.392 1.00 75.44 C ATOM 352 NZ LYS A 21 -10.329 -11.966 2.806 1.00 21.35 N ATOM 0 H LYS A 21 -5.907 -9.884 5.519 1.00 11.24 H new ATOM 0 HA LYS A 21 -4.704 -8.812 3.162 1.00 72.52 H new ATOM 0 HB2 LYS A 21 -7.007 -8.946 2.285 1.00 62.04 H new ATOM 0 HB3 LYS A 21 -6.604 -10.415 3.151 1.00 62.04 H new ATOM 0 HG2 LYS A 21 -7.860 -9.609 5.133 1.00 54.45 H new ATOM 0 HG3 LYS A 21 -8.234 -8.112 4.303 1.00 54.45 H new ATOM 0 HD2 LYS A 21 -10.151 -9.611 4.153 1.00 43.53 H new ATOM 0 HD3 LYS A 21 -9.470 -9.388 2.554 1.00 43.53 H new ATOM 0 HE2 LYS A 21 -8.256 -11.548 2.763 1.00 75.44 H new ATOM 0 HE3 LYS A 21 -8.918 -11.770 4.370 1.00 75.44 H new ATOM 0 HZ1 LYS A 21 -10.180 -12.992 2.726 1.00 21.35 H new ATOM 0 HZ2 LYS A 21 -11.148 -11.782 3.419 1.00 21.35 H new ATOM 0 HZ3 LYS A 21 -10.507 -11.567 1.862 1.00 21.35 H new ATOM 366 N PRO A 22 -5.458 -6.367 2.936 1.00 22.34 N ATOM 367 CA PRO A 22 -5.759 -4.935 2.904 1.00 51.13 C ATOM 368 C PRO A 22 -7.217 -4.670 2.489 1.00 21.02 C ATOM 369 O PRO A 22 -7.675 -5.136 1.444 1.00 70.44 O ATOM 370 CB PRO A 22 -4.777 -4.369 1.862 1.00 14.42 C ATOM 371 CG PRO A 22 -4.065 -5.545 1.253 1.00 25.32 C ATOM 372 CD PRO A 22 -4.767 -6.797 1.717 1.00 61.02 C ATOM 0 HA PRO A 22 -5.649 -4.470 3.884 1.00 51.13 H new ATOM 0 HB2 PRO A 22 -5.308 -3.801 1.098 1.00 14.42 H new ATOM 0 HB3 PRO A 22 -4.067 -3.687 2.330 1.00 14.42 H new ATOM 0 HG2 PRO A 22 -4.080 -5.479 0.165 1.00 25.32 H new ATOM 0 HG3 PRO A 22 -3.019 -5.558 1.558 1.00 25.32 H new ATOM 0 HD2 PRO A 22 -5.467 -7.167 0.967 1.00 61.02 H new ATOM 0 HD3 PRO A 22 -4.061 -7.603 1.918 1.00 61.02 H new ATOM 380 N GLN A 23 -7.940 -3.911 3.305 1.00 52.02 N ATOM 381 CA GLN A 23 -9.368 -3.680 3.077 1.00 40.11 C ATOM 382 C GLN A 23 -9.607 -2.421 2.229 1.00 11.00 C ATOM 383 O GLN A 23 -9.076 -1.348 2.526 1.00 4.35 O ATOM 384 CB GLN A 23 -10.097 -3.561 4.424 1.00 63.10 C ATOM 385 CG GLN A 23 -9.916 -4.781 5.324 1.00 14.45 C ATOM 386 CD GLN A 23 -10.518 -4.588 6.705 1.00 62.05 C ATOM 387 OE1 GLN A 23 -11.678 -4.918 6.949 1.00 70.20 O ATOM 388 NE2 GLN A 23 -9.740 -4.051 7.622 1.00 12.04 N ATOM 0 H GLN A 23 -7.564 -3.444 4.130 1.00 52.02 H new ATOM 0 HA GLN A 23 -9.765 -4.531 2.524 1.00 40.11 H new ATOM 0 HB2 GLN A 23 -9.735 -2.676 4.947 1.00 63.10 H new ATOM 0 HB3 GLN A 23 -11.161 -3.409 4.240 1.00 63.10 H new ATOM 0 HG2 GLN A 23 -10.376 -5.648 4.850 1.00 14.45 H new ATOM 0 HG3 GLN A 23 -8.853 -4.999 5.423 1.00 14.45 H new ATOM 0 HE21 GLN A 23 -8.783 -3.788 7.388 1.00 12.04 H new ATOM 0 HE22 GLN A 23 -10.095 -3.898 8.566 1.00 12.04 H new ATOM 397 N SER A 24 -10.409 -2.566 1.173 1.00 0.51 N ATOM 398 CA SER A 24 -10.710 -1.456 0.256 1.00 13.02 C ATOM 399 C SER A 24 -11.541 -0.363 0.938 1.00 31.11 C ATOM 400 O SER A 24 -12.527 -0.647 1.622 1.00 2.55 O ATOM 401 CB SER A 24 -11.452 -1.973 -0.987 1.00 23.12 C ATOM 402 OG SER A 24 -12.669 -2.615 -0.637 1.00 72.42 O ATOM 0 H SER A 24 -10.866 -3.444 0.927 1.00 0.51 H new ATOM 0 HA SER A 24 -9.759 -1.017 -0.045 1.00 13.02 H new ATOM 0 HB2 SER A 24 -11.659 -1.141 -1.661 1.00 23.12 H new ATOM 0 HB3 SER A 24 -10.814 -2.671 -1.529 1.00 23.12 H new ATOM 0 HG SER A 24 -13.118 -2.931 -1.449 1.00 72.42 H new ATOM 408 N LYS A 25 -11.146 0.894 0.737 1.00 2.32 N ATOM 409 CA LYS A 25 -11.805 2.036 1.386 1.00 34.14 C ATOM 410 C LYS A 25 -12.352 3.034 0.350 1.00 4.42 C ATOM 411 O LYS A 25 -11.812 3.163 -0.750 1.00 13.21 O ATOM 412 CB LYS A 25 -10.812 2.750 2.321 1.00 14.15 C ATOM 413 CG LYS A 25 -10.204 1.852 3.401 1.00 44.12 C ATOM 414 CD LYS A 25 -11.246 1.381 4.412 1.00 33.15 C ATOM 415 CE LYS A 25 -10.632 0.483 5.486 1.00 54.44 C ATOM 416 NZ LYS A 25 -9.494 1.141 6.194 1.00 65.02 N ATOM 0 H LYS A 25 -10.370 1.152 0.128 1.00 2.32 H new ATOM 0 HA LYS A 25 -12.646 1.654 1.964 1.00 34.14 H new ATOM 0 HB2 LYS A 25 -10.006 3.173 1.721 1.00 14.15 H new ATOM 0 HB3 LYS A 25 -11.321 3.584 2.803 1.00 14.15 H new ATOM 0 HG2 LYS A 25 -9.738 0.986 2.931 1.00 44.12 H new ATOM 0 HG3 LYS A 25 -9.415 2.395 3.921 1.00 44.12 H new ATOM 0 HD2 LYS A 25 -11.711 2.246 4.884 1.00 33.15 H new ATOM 0 HD3 LYS A 25 -12.036 0.838 3.893 1.00 33.15 H new ATOM 0 HE2 LYS A 25 -11.399 0.211 6.211 1.00 54.44 H new ATOM 0 HE3 LYS A 25 -10.285 -0.443 5.027 1.00 54.44 H new ATOM 0 HZ1 LYS A 25 -9.243 0.587 7.038 1.00 65.02 H new ATOM 0 HZ2 LYS A 25 -8.673 1.194 5.558 1.00 65.02 H new ATOM 0 HZ3 LYS A 25 -9.772 2.101 6.480 1.00 65.02 H new ATOM 430 N LYS A 26 -13.432 3.734 0.705 1.00 23.25 N ATOM 431 CA LYS A 26 -14.006 4.778 -0.156 1.00 22.40 C ATOM 432 C LYS A 26 -14.255 6.079 0.636 1.00 74.43 C ATOM 433 O LYS A 26 -15.005 6.095 1.613 1.00 24.32 O ATOM 434 CB LYS A 26 -15.303 4.275 -0.819 1.00 34.22 C ATOM 435 CG LYS A 26 -16.335 3.721 0.158 1.00 21.02 C ATOM 436 CD LYS A 26 -17.613 3.242 -0.543 1.00 54.40 C ATOM 437 CE LYS A 26 -17.409 1.961 -1.359 1.00 23.34 C ATOM 438 NZ LYS A 26 -16.642 2.185 -2.616 1.00 25.40 N ATOM 0 H LYS A 26 -13.930 3.598 1.585 1.00 23.25 H new ATOM 0 HA LYS A 26 -13.286 5.006 -0.942 1.00 22.40 H new ATOM 0 HB2 LYS A 26 -15.753 5.096 -1.378 1.00 34.22 H new ATOM 0 HB3 LYS A 26 -15.050 3.499 -1.541 1.00 34.22 H new ATOM 0 HG2 LYS A 26 -15.896 2.891 0.712 1.00 21.02 H new ATOM 0 HG3 LYS A 26 -16.591 4.491 0.886 1.00 21.02 H new ATOM 0 HD2 LYS A 26 -18.387 3.070 0.205 1.00 54.40 H new ATOM 0 HD3 LYS A 26 -17.976 4.031 -1.202 1.00 54.40 H new ATOM 0 HE2 LYS A 26 -16.885 1.227 -0.747 1.00 23.34 H new ATOM 0 HE3 LYS A 26 -18.382 1.535 -1.605 1.00 23.34 H new ATOM 0 HZ1 LYS A 26 -17.068 1.631 -3.386 1.00 25.40 H new ATOM 0 HZ2 LYS A 26 -16.666 3.195 -2.862 1.00 25.40 H new ATOM 0 HZ3 LYS A 26 -15.655 1.886 -2.479 1.00 25.40 H new ATOM 452 N VAL A 27 -13.608 7.168 0.212 1.00 35.11 N ATOM 453 CA VAL A 27 -13.694 8.465 0.914 1.00 23.14 C ATOM 454 C VAL A 27 -14.172 9.593 -0.020 1.00 24.41 C ATOM 455 O VAL A 27 -14.415 9.366 -1.204 1.00 33.53 O ATOM 456 CB VAL A 27 -12.323 8.859 1.524 1.00 0.30 C ATOM 457 CG1 VAL A 27 -11.875 7.832 2.564 1.00 61.11 C ATOM 458 CG2 VAL A 27 -11.268 9.019 0.427 1.00 33.11 C ATOM 0 H VAL A 27 -13.014 7.183 -0.617 1.00 35.11 H new ATOM 0 HA VAL A 27 -14.426 8.340 1.712 1.00 23.14 H new ATOM 0 HB VAL A 27 -12.438 9.819 2.027 1.00 0.30 H new ATOM 0 HG11 VAL A 27 -10.911 8.130 2.978 1.00 61.11 H new ATOM 0 HG12 VAL A 27 -12.613 7.779 3.365 1.00 61.11 H new ATOM 0 HG13 VAL A 27 -11.781 6.854 2.092 1.00 61.11 H new ATOM 0 HG21 VAL A 27 -10.314 9.295 0.877 1.00 33.11 H new ATOM 0 HG22 VAL A 27 -11.156 8.077 -0.110 1.00 33.11 H new ATOM 0 HG23 VAL A 27 -11.581 9.798 -0.268 1.00 33.11 H new ATOM 468 N LEU A 28 -14.322 10.806 0.524 1.00 5.41 N ATOM 469 CA LEU A 28 -14.708 11.981 -0.279 1.00 44.22 C ATOM 470 C LEU A 28 -13.474 12.773 -0.751 1.00 4.24 C ATOM 471 O LEU A 28 -12.361 12.566 -0.263 1.00 24.50 O ATOM 472 CB LEU A 28 -15.638 12.911 0.523 1.00 31.42 C ATOM 473 CG LEU A 28 -17.017 12.335 0.890 1.00 2.42 C ATOM 474 CD1 LEU A 28 -17.819 13.336 1.723 1.00 12.24 C ATOM 475 CD2 LEU A 28 -17.795 11.952 -0.366 1.00 75.00 C ATOM 0 H LEU A 28 -14.183 11.004 1.515 1.00 5.41 H new ATOM 0 HA LEU A 28 -15.239 11.610 -1.156 1.00 44.22 H new ATOM 0 HB2 LEU A 28 -15.129 13.195 1.444 1.00 31.42 H new ATOM 0 HB3 LEU A 28 -15.789 13.824 -0.052 1.00 31.42 H new ATOM 0 HG LEU A 28 -16.858 11.437 1.487 1.00 2.42 H new ATOM 0 HD11 LEU A 28 -18.790 12.908 1.971 1.00 12.24 H new ATOM 0 HD12 LEU A 28 -17.277 13.562 2.641 1.00 12.24 H new ATOM 0 HD13 LEU A 28 -17.962 14.253 1.151 1.00 12.24 H new ATOM 0 HD21 LEU A 28 -18.767 11.547 -0.083 1.00 75.00 H new ATOM 0 HD22 LEU A 28 -17.937 12.835 -0.989 1.00 75.00 H new ATOM 0 HD23 LEU A 28 -17.237 11.200 -0.924 1.00 75.00 H new ATOM 487 N GLU A 29 -13.686 13.686 -1.702 1.00 10.55 N ATOM 488 CA GLU A 29 -12.594 14.513 -2.239 1.00 51.13 C ATOM 489 C GLU A 29 -12.050 15.490 -1.184 1.00 15.12 C ATOM 490 O GLU A 29 -12.756 16.389 -0.735 1.00 75.25 O ATOM 491 CB GLU A 29 -13.061 15.300 -3.470 1.00 43.41 C ATOM 492 CG GLU A 29 -13.599 14.427 -4.595 1.00 10.10 C ATOM 493 CD GLU A 29 -13.855 15.214 -5.870 1.00 33.30 C ATOM 494 OE1 GLU A 29 -14.915 15.865 -5.975 1.00 1.21 O ATOM 495 OE2 GLU A 29 -12.994 15.186 -6.772 1.00 72.01 O ATOM 0 H GLU A 29 -14.599 13.874 -2.117 1.00 10.55 H new ATOM 0 HA GLU A 29 -11.792 13.834 -2.527 1.00 51.13 H new ATOM 0 HB2 GLU A 29 -13.837 16.003 -3.166 1.00 43.41 H new ATOM 0 HB3 GLU A 29 -12.227 15.890 -3.849 1.00 43.41 H new ATOM 0 HG2 GLU A 29 -12.888 13.627 -4.802 1.00 10.10 H new ATOM 0 HG3 GLU A 29 -14.526 13.953 -4.272 1.00 10.10 H new ATOM 502 N GLY A 30 -10.788 15.311 -0.805 1.00 1.30 N ATOM 503 CA GLY A 30 -10.170 16.173 0.200 1.00 23.40 C ATOM 504 C GLY A 30 -9.908 15.452 1.519 1.00 44.10 C ATOM 505 O GLY A 30 -9.170 15.949 2.372 1.00 0.55 O ATOM 0 H GLY A 30 -10.176 14.583 -1.175 1.00 1.30 H new ATOM 0 HA2 GLY A 30 -9.229 16.560 -0.190 1.00 23.40 H new ATOM 0 HA3 GLY A 30 -10.817 17.031 0.383 1.00 23.40 H new ATOM 509 N ASP A 31 -10.516 14.282 1.690 1.00 63.41 N ATOM 510 CA ASP A 31 -10.311 13.472 2.891 1.00 35.32 C ATOM 511 C ASP A 31 -9.015 12.646 2.810 1.00 40.44 C ATOM 512 O ASP A 31 -8.246 12.751 1.849 1.00 1.43 O ATOM 513 CB ASP A 31 -11.516 12.553 3.112 1.00 73.14 C ATOM 514 CG ASP A 31 -12.754 13.329 3.525 1.00 74.33 C ATOM 515 OD1 ASP A 31 -13.432 13.893 2.645 1.00 12.42 O ATOM 516 OD2 ASP A 31 -13.042 13.390 4.739 1.00 42.24 O ATOM 0 H ASP A 31 -11.157 13.871 1.011 1.00 63.41 H new ATOM 0 HA ASP A 31 -10.212 14.150 3.739 1.00 35.32 H new ATOM 0 HB2 ASP A 31 -11.723 12.000 2.196 1.00 73.14 H new ATOM 0 HB3 ASP A 31 -11.276 11.818 3.880 1.00 73.14 H new ATOM 521 N SER A 32 -8.775 11.832 3.833 1.00 12.30 N ATOM 522 CA SER A 32 -7.567 10.999 3.899 1.00 25.15 C ATOM 523 C SER A 32 -7.912 9.526 4.141 1.00 24.41 C ATOM 524 O SER A 32 -8.987 9.203 4.653 1.00 22.42 O ATOM 525 CB SER A 32 -6.639 11.498 5.012 1.00 44.35 C ATOM 526 OG SER A 32 -6.269 12.853 4.804 1.00 12.00 O ATOM 0 H SER A 32 -9.400 11.727 4.633 1.00 12.30 H new ATOM 0 HA SER A 32 -7.060 11.078 2.937 1.00 25.15 H new ATOM 0 HB2 SER A 32 -7.137 11.398 5.976 1.00 44.35 H new ATOM 0 HB3 SER A 32 -5.745 10.876 5.050 1.00 44.35 H new ATOM 0 HG SER A 32 -5.814 13.194 5.602 1.00 12.00 H new ATOM 532 N VAL A 33 -6.995 8.643 3.773 1.00 2.53 N ATOM 533 CA VAL A 33 -7.177 7.201 3.951 1.00 24.42 C ATOM 534 C VAL A 33 -5.841 6.522 4.278 1.00 15.54 C ATOM 535 O VAL A 33 -4.770 7.049 3.959 1.00 25.33 O ATOM 536 CB VAL A 33 -7.775 6.556 2.672 1.00 42.52 C ATOM 537 CG1 VAL A 33 -6.760 6.564 1.528 1.00 43.11 C ATOM 538 CG2 VAL A 33 -8.271 5.138 2.950 1.00 21.33 C ATOM 0 H VAL A 33 -6.106 8.900 3.344 1.00 2.53 H new ATOM 0 HA VAL A 33 -7.869 7.057 4.781 1.00 24.42 H new ATOM 0 HB VAL A 33 -8.632 7.156 2.367 1.00 42.52 H new ATOM 0 HG11 VAL A 33 -7.204 6.106 0.644 1.00 43.11 H new ATOM 0 HG12 VAL A 33 -6.476 7.592 1.301 1.00 43.11 H new ATOM 0 HG13 VAL A 33 -5.875 6.000 1.823 1.00 43.11 H new ATOM 0 HG21 VAL A 33 -8.685 4.711 2.036 1.00 21.33 H new ATOM 0 HG22 VAL A 33 -7.440 4.523 3.294 1.00 21.33 H new ATOM 0 HG23 VAL A 33 -9.043 5.167 3.719 1.00 21.33 H new ATOM 548 N LYS A 34 -5.901 5.355 4.914 1.00 73.32 N ATOM 549 CA LYS A 34 -4.699 4.574 5.194 1.00 44.52 C ATOM 550 C LYS A 34 -4.931 3.081 4.924 1.00 73.41 C ATOM 551 O LYS A 34 -5.785 2.444 5.544 1.00 33.52 O ATOM 552 CB LYS A 34 -4.229 4.800 6.640 1.00 14.13 C ATOM 553 CG LYS A 34 -5.279 4.498 7.708 1.00 64.11 C ATOM 554 CD LYS A 34 -4.749 4.791 9.109 1.00 13.03 C ATOM 555 CE LYS A 34 -5.778 4.483 10.193 1.00 73.23 C ATOM 556 NZ LYS A 34 -6.149 3.044 10.218 1.00 12.44 N ATOM 0 H LYS A 34 -6.767 4.930 5.245 1.00 73.32 H new ATOM 0 HA LYS A 34 -3.913 4.916 4.520 1.00 44.52 H new ATOM 0 HB2 LYS A 34 -3.354 4.177 6.824 1.00 14.13 H new ATOM 0 HB3 LYS A 34 -3.911 5.837 6.746 1.00 14.13 H new ATOM 0 HG2 LYS A 34 -6.171 5.096 7.523 1.00 64.11 H new ATOM 0 HG3 LYS A 34 -5.577 3.452 7.642 1.00 64.11 H new ATOM 0 HD2 LYS A 34 -3.850 4.200 9.286 1.00 13.03 H new ATOM 0 HD3 LYS A 34 -4.459 5.840 9.174 1.00 13.03 H new ATOM 0 HE2 LYS A 34 -5.377 4.771 11.165 1.00 73.23 H new ATOM 0 HE3 LYS A 34 -6.671 5.085 10.026 1.00 73.23 H new ATOM 0 HZ1 LYS A 34 -6.743 2.853 11.050 1.00 12.44 H new ATOM 0 HZ2 LYS A 34 -6.677 2.807 9.354 1.00 12.44 H new ATOM 0 HZ3 LYS A 34 -5.287 2.464 10.268 1.00 12.44 H new ATOM 570 N LEU A 35 -4.174 2.534 3.981 1.00 25.00 N ATOM 571 CA LEU A 35 -4.224 1.104 3.674 1.00 44.43 C ATOM 572 C LEU A 35 -3.146 0.364 4.476 1.00 34.14 C ATOM 573 O LEU A 35 -1.955 0.532 4.230 1.00 13.55 O ATOM 574 CB LEU A 35 -4.024 0.884 2.166 1.00 71.14 C ATOM 575 CG LEU A 35 -5.087 1.527 1.256 1.00 31.11 C ATOM 576 CD1 LEU A 35 -4.754 1.297 -0.217 1.00 23.15 C ATOM 577 CD2 LEU A 35 -6.480 0.991 1.585 1.00 24.42 C ATOM 0 H LEU A 35 -3.513 3.061 3.410 1.00 25.00 H new ATOM 0 HA LEU A 35 -5.200 0.708 3.954 1.00 44.43 H new ATOM 0 HB2 LEU A 35 -3.046 1.276 1.886 1.00 71.14 H new ATOM 0 HB3 LEU A 35 -4.005 -0.188 1.972 1.00 71.14 H new ATOM 0 HG LEU A 35 -5.083 2.601 1.441 1.00 31.11 H new ATOM 0 HD11 LEU A 35 -5.519 1.760 -0.840 1.00 23.15 H new ATOM 0 HD12 LEU A 35 -3.784 1.740 -0.444 1.00 23.15 H new ATOM 0 HD13 LEU A 35 -4.721 0.227 -0.420 1.00 23.15 H new ATOM 0 HD21 LEU A 35 -7.214 1.459 0.930 1.00 24.42 H new ATOM 0 HD22 LEU A 35 -6.499 -0.089 1.437 1.00 24.42 H new ATOM 0 HD23 LEU A 35 -6.722 1.220 2.623 1.00 24.42 H new ATOM 589 N GLU A 36 -3.569 -0.462 5.424 1.00 23.42 N ATOM 590 CA GLU A 36 -2.648 -1.068 6.398 1.00 72.33 C ATOM 591 C GLU A 36 -2.736 -2.604 6.409 1.00 64.44 C ATOM 592 O GLU A 36 -3.824 -3.180 6.336 1.00 71.44 O ATOM 593 CB GLU A 36 -2.945 -0.487 7.794 1.00 51.34 C ATOM 594 CG GLU A 36 -4.428 -0.523 8.168 1.00 13.40 C ATOM 595 CD GLU A 36 -4.767 0.285 9.414 1.00 32.13 C ATOM 596 OE1 GLU A 36 -4.055 1.265 9.717 1.00 73.44 O ATOM 597 OE2 GLU A 36 -5.766 -0.049 10.092 1.00 0.41 O ATOM 0 H GLU A 36 -4.545 -0.733 5.546 1.00 23.42 H new ATOM 0 HA GLU A 36 -1.627 -0.824 6.105 1.00 72.33 H new ATOM 0 HB2 GLU A 36 -2.377 -1.044 8.539 1.00 51.34 H new ATOM 0 HB3 GLU A 36 -2.594 0.544 7.832 1.00 51.34 H new ATOM 0 HG2 GLU A 36 -5.014 -0.145 7.330 1.00 13.40 H new ATOM 0 HG3 GLU A 36 -4.729 -1.559 8.325 1.00 13.40 H new ATOM 604 N CYS A 37 -1.577 -3.257 6.492 1.00 31.23 N ATOM 605 CA CYS A 37 -1.499 -4.726 6.530 1.00 23.34 C ATOM 606 C CYS A 37 -0.221 -5.198 7.240 1.00 70.42 C ATOM 607 O CYS A 37 0.676 -4.406 7.524 1.00 40.34 O ATOM 608 CB CYS A 37 -1.538 -5.299 5.107 1.00 10.22 C ATOM 609 SG CYS A 37 -0.195 -4.725 4.039 1.00 14.21 S ATOM 0 H CYS A 37 -0.670 -2.792 6.535 1.00 31.23 H new ATOM 0 HA CYS A 37 -2.360 -5.089 7.091 1.00 23.34 H new ATOM 0 HB2 CYS A 37 -1.502 -6.387 5.164 1.00 10.22 H new ATOM 0 HB3 CYS A 37 -2.491 -5.036 4.647 1.00 10.22 H new ATOM 0 HG CYS A 37 -0.315 -5.265 2.863 1.00 14.21 H new ATOM 615 N GLN A 38 -0.147 -6.496 7.525 1.00 64.24 N ATOM 616 CA GLN A 38 1.034 -7.094 8.168 1.00 72.52 C ATOM 617 C GLN A 38 1.747 -8.066 7.213 1.00 51.53 C ATOM 618 O GLN A 38 1.116 -8.962 6.649 1.00 11.22 O ATOM 619 CB GLN A 38 0.624 -7.846 9.446 1.00 30.04 C ATOM 620 CG GLN A 38 0.036 -6.959 10.543 1.00 72.34 C ATOM 621 CD GLN A 38 1.052 -6.021 11.181 1.00 25.13 C ATOM 622 OE1 GLN A 38 0.712 -4.928 11.620 1.00 5.43 O ATOM 623 NE2 GLN A 38 2.298 -6.444 11.260 1.00 11.54 N ATOM 0 H GLN A 38 -0.892 -7.162 7.322 1.00 64.24 H new ATOM 0 HA GLN A 38 1.719 -6.286 8.425 1.00 72.52 H new ATOM 0 HB2 GLN A 38 -0.107 -8.610 9.184 1.00 30.04 H new ATOM 0 HB3 GLN A 38 1.497 -8.363 9.844 1.00 30.04 H new ATOM 0 HG2 GLN A 38 -0.778 -6.368 10.123 1.00 72.34 H new ATOM 0 HG3 GLN A 38 -0.397 -7.592 11.317 1.00 72.34 H new ATOM 0 HE21 GLN A 38 2.551 -7.359 10.886 1.00 11.54 H new ATOM 0 HE22 GLN A 38 3.009 -5.857 11.696 1.00 11.54 H new ATOM 632 N ILE A 39 3.054 -7.886 7.037 1.00 62.01 N ATOM 633 CA ILE A 39 3.861 -8.776 6.192 1.00 0.14 C ATOM 634 C ILE A 39 5.033 -9.385 6.981 1.00 41.14 C ATOM 635 O ILE A 39 5.909 -8.666 7.465 1.00 32.11 O ATOM 636 CB ILE A 39 4.427 -8.031 4.954 1.00 14.30 C ATOM 637 CG1 ILE A 39 3.286 -7.443 4.104 1.00 42.31 C ATOM 638 CG2 ILE A 39 5.296 -8.968 4.112 1.00 3.22 C ATOM 639 CD1 ILE A 39 3.758 -6.711 2.862 1.00 23.31 C ATOM 0 H ILE A 39 3.583 -7.129 7.469 1.00 62.01 H new ATOM 0 HA ILE A 39 3.196 -9.572 5.857 1.00 0.14 H new ATOM 0 HB ILE A 39 5.050 -7.209 5.306 1.00 14.30 H new ATOM 0 HG12 ILE A 39 2.616 -8.249 3.806 1.00 42.31 H new ATOM 0 HG13 ILE A 39 2.705 -6.756 4.719 1.00 42.31 H new ATOM 0 HG21 ILE A 39 5.684 -8.427 3.249 1.00 3.22 H new ATOM 0 HG22 ILE A 39 6.128 -9.333 4.715 1.00 3.22 H new ATOM 0 HG23 ILE A 39 4.697 -9.813 3.772 1.00 3.22 H new ATOM 0 HD11 ILE A 39 2.896 -6.326 2.317 1.00 23.31 H new ATOM 0 HD12 ILE A 39 4.404 -5.882 3.152 1.00 23.31 H new ATOM 0 HD13 ILE A 39 4.314 -7.398 2.224 1.00 23.31 H new ATOM 651 N SER A 40 5.050 -10.709 7.106 1.00 33.31 N ATOM 652 CA SER A 40 6.145 -11.402 7.805 1.00 25.45 C ATOM 653 C SER A 40 7.232 -11.863 6.823 1.00 62.01 C ATOM 654 O SER A 40 7.052 -12.839 6.092 1.00 45.34 O ATOM 655 CB SER A 40 5.615 -12.612 8.589 1.00 4.40 C ATOM 656 OG SER A 40 6.667 -13.300 9.255 1.00 34.32 O ATOM 0 H SER A 40 4.326 -11.326 6.738 1.00 33.31 H new ATOM 0 HA SER A 40 6.585 -10.689 8.502 1.00 25.45 H new ATOM 0 HB2 SER A 40 4.876 -12.280 9.319 1.00 4.40 H new ATOM 0 HB3 SER A 40 5.106 -13.294 7.908 1.00 4.40 H new ATOM 0 HG SER A 40 6.299 -14.064 9.746 1.00 34.32 H new ATOM 662 N ALA A 41 8.344 -11.132 6.788 1.00 33.43 N ATOM 663 CA ALA A 41 9.497 -11.492 5.950 1.00 54.25 C ATOM 664 C ALA A 41 10.815 -11.430 6.739 1.00 21.14 C ATOM 665 O ALA A 41 10.941 -10.668 7.701 1.00 2.51 O ATOM 666 CB ALA A 41 9.570 -10.581 4.734 1.00 30.24 C ATOM 0 H ALA A 41 8.476 -10.280 7.333 1.00 33.43 H new ATOM 0 HA ALA A 41 9.356 -12.521 5.620 1.00 54.25 H new ATOM 0 HB1 ALA A 41 10.428 -10.859 4.122 1.00 30.24 H new ATOM 0 HB2 ALA A 41 8.657 -10.684 4.147 1.00 30.24 H new ATOM 0 HB3 ALA A 41 9.677 -9.546 5.060 1.00 30.24 H new ATOM 672 N ILE A 42 11.795 -12.231 6.323 1.00 20.13 N ATOM 673 CA ILE A 42 13.125 -12.230 6.951 1.00 32.32 C ATOM 674 C ILE A 42 14.229 -12.351 5.883 1.00 2.14 C ATOM 675 O ILE A 42 14.364 -13.396 5.242 1.00 64.21 O ATOM 676 CB ILE A 42 13.284 -13.388 7.978 1.00 13.20 C ATOM 677 CG1 ILE A 42 12.236 -13.266 9.099 1.00 33.54 C ATOM 678 CG2 ILE A 42 14.696 -13.403 8.563 1.00 31.13 C ATOM 679 CD1 ILE A 42 12.337 -14.345 10.155 1.00 13.43 C ATOM 0 H ILE A 42 11.697 -12.892 5.552 1.00 20.13 H new ATOM 0 HA ILE A 42 13.223 -11.282 7.480 1.00 32.32 H new ATOM 0 HB ILE A 42 13.121 -14.331 7.456 1.00 13.20 H new ATOM 0 HG12 ILE A 42 12.342 -12.292 9.577 1.00 33.54 H new ATOM 0 HG13 ILE A 42 11.240 -13.297 8.657 1.00 33.54 H new ATOM 0 HG21 ILE A 42 14.785 -14.220 9.279 1.00 31.13 H new ATOM 0 HG22 ILE A 42 15.421 -13.543 7.761 1.00 31.13 H new ATOM 0 HG23 ILE A 42 14.891 -12.457 9.067 1.00 31.13 H new ATOM 0 HD11 ILE A 42 11.565 -14.190 10.909 1.00 13.43 H new ATOM 0 HD12 ILE A 42 12.200 -15.322 9.691 1.00 13.43 H new ATOM 0 HD13 ILE A 42 13.319 -14.302 10.627 1.00 13.43 H new ATOM 691 N PRO A 43 15.016 -11.283 5.641 1.00 31.34 N ATOM 692 CA PRO A 43 14.850 -9.966 6.297 1.00 3.31 C ATOM 693 C PRO A 43 13.713 -9.125 5.671 1.00 15.34 C ATOM 694 O PRO A 43 13.098 -9.540 4.685 1.00 60.23 O ATOM 695 CB PRO A 43 16.217 -9.313 6.054 1.00 24.14 C ATOM 696 CG PRO A 43 16.659 -9.863 4.741 1.00 75.24 C ATOM 697 CD PRO A 43 16.156 -11.283 4.699 1.00 2.13 C ATOM 0 HA PRO A 43 14.570 -10.049 7.347 1.00 3.31 H new ATOM 0 HB2 PRO A 43 16.139 -8.226 6.024 1.00 24.14 H new ATOM 0 HB3 PRO A 43 16.923 -9.560 6.847 1.00 24.14 H new ATOM 0 HG2 PRO A 43 16.251 -9.279 3.916 1.00 75.24 H new ATOM 0 HG3 PRO A 43 17.745 -9.830 4.649 1.00 75.24 H new ATOM 0 HD2 PRO A 43 15.844 -11.567 3.694 1.00 2.13 H new ATOM 0 HD3 PRO A 43 16.927 -11.990 5.005 1.00 2.13 H new ATOM 705 N PRO A 44 13.394 -7.942 6.256 1.00 44.01 N ATOM 706 CA PRO A 44 12.386 -7.021 5.694 1.00 32.34 C ATOM 707 C PRO A 44 12.578 -6.764 4.185 1.00 3.32 C ATOM 708 O PRO A 44 13.686 -6.458 3.735 1.00 23.12 O ATOM 709 CB PRO A 44 12.613 -5.731 6.495 1.00 34.31 C ATOM 710 CG PRO A 44 13.123 -6.202 7.813 1.00 25.54 C ATOM 711 CD PRO A 44 13.966 -7.420 7.519 1.00 45.41 C ATOM 0 HA PRO A 44 11.377 -7.426 5.774 1.00 32.34 H new ATOM 0 HB2 PRO A 44 13.332 -5.077 6.001 1.00 34.31 H new ATOM 0 HB3 PRO A 44 11.689 -5.163 6.606 1.00 34.31 H new ATOM 0 HG2 PRO A 44 13.713 -5.428 8.303 1.00 25.54 H new ATOM 0 HG3 PRO A 44 12.301 -6.449 8.485 1.00 25.54 H new ATOM 0 HD2 PRO A 44 15.019 -7.161 7.406 1.00 45.41 H new ATOM 0 HD3 PRO A 44 13.903 -8.155 8.322 1.00 45.41 H new ATOM 719 N PRO A 45 11.494 -6.870 3.387 1.00 10.42 N ATOM 720 CA PRO A 45 11.564 -6.772 1.928 1.00 12.44 C ATOM 721 C PRO A 45 11.345 -5.348 1.388 1.00 73.04 C ATOM 722 O PRO A 45 10.936 -4.441 2.117 1.00 65.45 O ATOM 723 CB PRO A 45 10.410 -7.685 1.509 1.00 44.14 C ATOM 724 CG PRO A 45 9.372 -7.497 2.574 1.00 22.43 C ATOM 725 CD PRO A 45 10.106 -7.088 3.838 1.00 64.32 C ATOM 0 HA PRO A 45 12.546 -7.044 1.541 1.00 12.44 H new ATOM 0 HB2 PRO A 45 10.024 -7.411 0.527 1.00 44.14 H new ATOM 0 HB3 PRO A 45 10.730 -8.725 1.447 1.00 44.14 H new ATOM 0 HG2 PRO A 45 8.652 -6.733 2.281 1.00 22.43 H new ATOM 0 HG3 PRO A 45 8.812 -8.418 2.734 1.00 22.43 H new ATOM 0 HD2 PRO A 45 9.680 -6.183 4.272 1.00 64.32 H new ATOM 0 HD3 PRO A 45 10.051 -7.864 4.601 1.00 64.32 H new ATOM 733 N LYS A 46 11.621 -5.160 0.097 1.00 72.20 N ATOM 734 CA LYS A 46 11.376 -3.876 -0.568 1.00 63.13 C ATOM 735 C LYS A 46 9.908 -3.778 -1.020 1.00 65.11 C ATOM 736 O LYS A 46 9.384 -4.699 -1.648 1.00 22.31 O ATOM 737 CB LYS A 46 12.309 -3.721 -1.777 1.00 43.21 C ATOM 738 CG LYS A 46 12.289 -2.330 -2.406 1.00 63.30 C ATOM 739 CD LYS A 46 12.914 -1.283 -1.489 1.00 40.45 C ATOM 740 CE LYS A 46 12.870 0.108 -2.105 1.00 41.01 C ATOM 741 NZ LYS A 46 13.667 1.085 -1.322 1.00 22.11 N ATOM 0 H LYS A 46 12.014 -5.879 -0.510 1.00 72.20 H new ATOM 0 HA LYS A 46 11.578 -3.073 0.141 1.00 63.13 H new ATOM 0 HB2 LYS A 46 13.328 -3.954 -1.468 1.00 43.21 H new ATOM 0 HB3 LYS A 46 12.030 -4.454 -2.534 1.00 43.21 H new ATOM 0 HG2 LYS A 46 12.828 -2.352 -3.353 1.00 63.30 H new ATOM 0 HG3 LYS A 46 11.261 -2.048 -2.631 1.00 63.30 H new ATOM 0 HD2 LYS A 46 12.387 -1.275 -0.535 1.00 40.45 H new ATOM 0 HD3 LYS A 46 13.949 -1.555 -1.279 1.00 40.45 H new ATOM 0 HE2 LYS A 46 13.249 0.065 -3.126 1.00 41.01 H new ATOM 0 HE3 LYS A 46 11.836 0.447 -2.163 1.00 41.01 H new ATOM 0 HZ1 LYS A 46 13.612 2.020 -1.774 1.00 22.11 H new ATOM 0 HZ2 LYS A 46 13.290 1.145 -0.355 1.00 22.11 H new ATOM 0 HZ3 LYS A 46 14.659 0.775 -1.288 1.00 22.11 H new ATOM 755 N LEU A 47 9.253 -2.659 -0.706 1.00 52.42 N ATOM 756 CA LEU A 47 7.819 -2.491 -0.982 1.00 60.33 C ATOM 757 C LEU A 47 7.570 -1.593 -2.205 1.00 21.23 C ATOM 758 O LEU A 47 8.059 -0.465 -2.266 1.00 31.15 O ATOM 759 CB LEU A 47 7.127 -1.884 0.246 1.00 62.34 C ATOM 760 CG LEU A 47 7.377 -2.624 1.572 1.00 41.40 C ATOM 761 CD1 LEU A 47 6.799 -1.838 2.744 1.00 42.52 C ATOM 762 CD2 LEU A 47 6.793 -4.036 1.526 1.00 55.33 C ATOM 0 H LEU A 47 9.690 -1.853 -0.260 1.00 52.42 H new ATOM 0 HA LEU A 47 7.406 -3.476 -1.201 1.00 60.33 H new ATOM 0 HB2 LEU A 47 7.459 -0.852 0.357 1.00 62.34 H new ATOM 0 HB3 LEU A 47 6.053 -1.856 0.061 1.00 62.34 H new ATOM 0 HG LEU A 47 8.454 -2.709 1.716 1.00 41.40 H new ATOM 0 HD11 LEU A 47 6.986 -2.378 3.672 1.00 42.52 H new ATOM 0 HD12 LEU A 47 7.272 -0.857 2.793 1.00 42.52 H new ATOM 0 HD13 LEU A 47 5.725 -1.716 2.606 1.00 42.52 H new ATOM 0 HD21 LEU A 47 6.982 -4.539 2.474 1.00 55.33 H new ATOM 0 HD22 LEU A 47 5.718 -3.980 1.353 1.00 55.33 H new ATOM 0 HD23 LEU A 47 7.262 -4.597 0.718 1.00 55.33 H new ATOM 774 N PHE A 48 6.810 -2.102 -3.174 1.00 35.32 N ATOM 775 CA PHE A 48 6.413 -1.321 -4.356 1.00 2.43 C ATOM 776 C PHE A 48 4.883 -1.222 -4.464 1.00 24.25 C ATOM 777 O PHE A 48 4.181 -2.225 -4.337 1.00 44.44 O ATOM 778 CB PHE A 48 6.973 -1.957 -5.639 1.00 3.44 C ATOM 779 CG PHE A 48 8.479 -2.032 -5.682 1.00 44.42 C ATOM 780 CD1 PHE A 48 9.236 -0.906 -5.976 1.00 43.11 C ATOM 781 CD2 PHE A 48 9.137 -3.229 -5.432 1.00 33.12 C ATOM 782 CE1 PHE A 48 10.615 -0.973 -6.018 1.00 21.44 C ATOM 783 CE2 PHE A 48 10.515 -3.298 -5.473 1.00 73.14 C ATOM 784 CZ PHE A 48 11.256 -2.169 -5.766 1.00 22.24 C ATOM 0 H PHE A 48 6.453 -3.057 -3.168 1.00 35.32 H new ATOM 0 HA PHE A 48 6.825 -0.318 -4.241 1.00 2.43 H new ATOM 0 HB2 PHE A 48 6.567 -2.963 -5.740 1.00 3.44 H new ATOM 0 HB3 PHE A 48 6.624 -1.384 -6.498 1.00 3.44 H new ATOM 0 HD1 PHE A 48 8.741 0.033 -6.174 1.00 43.11 H new ATOM 0 HD2 PHE A 48 8.564 -4.116 -5.203 1.00 33.12 H new ATOM 0 HE1 PHE A 48 11.192 -0.089 -6.248 1.00 21.44 H new ATOM 0 HE2 PHE A 48 11.014 -4.235 -5.276 1.00 73.14 H new ATOM 0 HZ PHE A 48 12.334 -2.222 -5.798 1.00 22.24 H new ATOM 794 N TRP A 49 4.374 -0.010 -4.692 1.00 71.42 N ATOM 795 CA TRP A 49 2.930 0.209 -4.878 1.00 42.30 C ATOM 796 C TRP A 49 2.611 0.707 -6.296 1.00 71.30 C ATOM 797 O TRP A 49 3.219 1.658 -6.791 1.00 61.42 O ATOM 798 CB TRP A 49 2.390 1.207 -3.844 1.00 22.12 C ATOM 799 CG TRP A 49 2.253 0.626 -2.463 1.00 2.11 C ATOM 800 CD1 TRP A 49 3.223 0.525 -1.507 1.00 15.53 C ATOM 801 CD2 TRP A 49 1.065 0.066 -1.886 1.00 5.24 C ATOM 802 NE1 TRP A 49 2.712 -0.065 -0.376 1.00 62.04 N ATOM 803 CE2 TRP A 49 1.389 -0.353 -0.583 1.00 11.45 C ATOM 804 CE3 TRP A 49 -0.242 -0.117 -2.348 1.00 52.10 C ATOM 805 CZ2 TRP A 49 0.454 -0.948 0.263 1.00 1.45 C ATOM 806 CZ3 TRP A 49 -1.168 -0.708 -1.509 1.00 43.02 C ATOM 807 CH2 TRP A 49 -0.818 -1.113 -0.214 1.00 74.10 C ATOM 0 H TRP A 49 4.937 0.838 -4.753 1.00 71.42 H new ATOM 0 HA TRP A 49 2.439 -0.753 -4.735 1.00 42.30 H new ATOM 0 HB2 TRP A 49 3.055 2.070 -3.802 1.00 22.12 H new ATOM 0 HB3 TRP A 49 1.417 1.570 -4.175 1.00 22.12 H new ATOM 0 HD1 TRP A 49 4.243 0.860 -1.623 1.00 15.53 H new ATOM 0 HE1 TRP A 49 3.234 -0.257 0.479 1.00 62.04 H new ATOM 0 HE3 TRP A 49 -0.523 0.198 -3.342 1.00 52.10 H new ATOM 0 HZ2 TRP A 49 0.724 -1.267 1.259 1.00 1.45 H new ATOM 0 HZ3 TRP A 49 -2.179 -0.860 -1.858 1.00 43.02 H new ATOM 0 HH2 TRP A 49 -1.567 -1.564 0.420 1.00 74.10 H new ATOM 818 N LYS A 50 1.647 0.056 -6.940 1.00 0.20 N ATOM 819 CA LYS A 50 1.243 0.401 -8.309 1.00 12.34 C ATOM 820 C LYS A 50 -0.249 0.784 -8.375 1.00 54.34 C ATOM 821 O LYS A 50 -1.101 0.039 -7.909 1.00 44.34 O ATOM 822 CB LYS A 50 1.535 -0.803 -9.224 1.00 3.01 C ATOM 823 CG LYS A 50 1.082 -0.637 -10.671 1.00 73.45 C ATOM 824 CD LYS A 50 1.475 -1.841 -11.530 1.00 71.11 C ATOM 825 CE LYS A 50 0.792 -3.131 -11.076 1.00 33.32 C ATOM 826 NZ LYS A 50 -0.692 -3.058 -11.188 1.00 61.21 N ATOM 0 H LYS A 50 1.124 -0.721 -6.536 1.00 0.20 H new ATOM 0 HA LYS A 50 1.811 1.269 -8.643 1.00 12.34 H new ATOM 0 HB2 LYS A 50 2.608 -0.996 -9.215 1.00 3.01 H new ATOM 0 HB3 LYS A 50 1.049 -1.685 -8.806 1.00 3.01 H new ATOM 0 HG2 LYS A 50 0.000 -0.507 -10.701 1.00 73.45 H new ATOM 0 HG3 LYS A 50 1.524 0.268 -11.089 1.00 73.45 H new ATOM 0 HD2 LYS A 50 1.215 -1.642 -12.570 1.00 71.11 H new ATOM 0 HD3 LYS A 50 2.556 -1.973 -11.492 1.00 71.11 H new ATOM 0 HE2 LYS A 50 1.158 -3.964 -11.677 1.00 33.32 H new ATOM 0 HE3 LYS A 50 1.066 -3.339 -10.042 1.00 33.32 H new ATOM 0 HZ1 LYS A 50 -1.120 -3.246 -10.259 1.00 61.21 H new ATOM 0 HZ2 LYS A 50 -0.969 -2.109 -11.511 1.00 61.21 H new ATOM 0 HZ3 LYS A 50 -1.024 -3.768 -11.872 1.00 61.21 H new ATOM 840 N ARG A 51 -0.555 1.942 -8.961 1.00 23.21 N ATOM 841 CA ARG A 51 -1.947 2.402 -9.128 1.00 13.45 C ATOM 842 C ARG A 51 -2.343 2.420 -10.607 1.00 40.21 C ATOM 843 O ARG A 51 -1.763 3.168 -11.390 1.00 4.41 O ATOM 844 CB ARG A 51 -2.121 3.818 -8.561 1.00 73.21 C ATOM 845 CG ARG A 51 -3.479 4.447 -8.887 1.00 13.03 C ATOM 846 CD ARG A 51 -3.503 5.945 -8.594 1.00 45.13 C ATOM 847 NE ARG A 51 -4.687 6.595 -9.155 1.00 40.01 N ATOM 848 CZ ARG A 51 -4.695 7.247 -10.291 1.00 4.13 C ATOM 849 NH1 ARG A 51 -3.619 7.341 -11.005 1.00 21.20 N ATOM 850 NH2 ARG A 51 -5.781 7.802 -10.717 1.00 15.42 N ATOM 0 H ARG A 51 0.143 2.587 -9.332 1.00 23.21 H new ATOM 0 HA ARG A 51 -2.587 1.705 -8.587 1.00 13.45 H new ATOM 0 HB2 ARG A 51 -1.996 3.785 -7.479 1.00 73.21 H new ATOM 0 HB3 ARG A 51 -1.330 4.457 -8.954 1.00 73.21 H new ATOM 0 HG2 ARG A 51 -3.712 4.280 -9.939 1.00 13.03 H new ATOM 0 HG3 ARG A 51 -4.256 3.952 -8.305 1.00 13.03 H new ATOM 0 HD2 ARG A 51 -3.479 6.104 -7.516 1.00 45.13 H new ATOM 0 HD3 ARG A 51 -2.606 6.409 -9.005 1.00 45.13 H new ATOM 0 HE ARG A 51 -5.559 6.537 -8.630 1.00 40.01 H new ATOM 0 HH11 ARG A 51 -2.754 6.905 -10.684 1.00 21.20 H new ATOM 0 HH12 ARG A 51 -3.636 7.851 -11.888 1.00 21.20 H new ATOM 0 HH21 ARG A 51 -6.638 7.734 -10.168 1.00 15.42 H new ATOM 0 HH22 ARG A 51 -5.782 8.309 -11.602 1.00 15.42 H new ATOM 864 N ASN A 52 -3.336 1.615 -10.987 1.00 1.25 N ATOM 865 CA ASN A 52 -3.804 1.564 -12.379 1.00 13.31 C ATOM 866 C ASN A 52 -2.640 1.312 -13.353 1.00 24.52 C ATOM 867 O ASN A 52 -2.615 1.848 -14.462 1.00 44.01 O ATOM 868 CB ASN A 52 -4.535 2.868 -12.738 1.00 61.13 C ATOM 869 CG ASN A 52 -5.832 3.038 -11.969 1.00 41.34 C ATOM 870 OD1 ASN A 52 -5.974 2.563 -10.847 1.00 3.44 O ATOM 871 ND2 ASN A 52 -6.788 3.715 -12.568 1.00 21.14 N ATOM 0 H ASN A 52 -3.833 0.989 -10.354 1.00 1.25 H new ATOM 0 HA ASN A 52 -4.499 0.730 -12.473 1.00 13.31 H new ATOM 0 HB2 ASN A 52 -3.881 3.716 -12.533 1.00 61.13 H new ATOM 0 HB3 ASN A 52 -4.746 2.880 -13.807 1.00 61.13 H new ATOM 0 HD21 ASN A 52 -7.682 3.859 -12.099 1.00 21.14 H new ATOM 0 HD22 ASN A 52 -6.635 4.096 -13.502 1.00 21.14 H new ATOM 878 N ASN A 53 -1.691 0.477 -12.918 1.00 25.22 N ATOM 879 CA ASN A 53 -0.497 0.123 -13.705 1.00 2.11 C ATOM 880 C ASN A 53 0.562 1.243 -13.719 1.00 40.54 C ATOM 881 O ASN A 53 1.615 1.100 -14.341 1.00 65.34 O ATOM 882 CB ASN A 53 -0.880 -0.305 -15.129 1.00 73.13 C ATOM 883 CG ASN A 53 -1.765 -1.539 -15.117 1.00 51.31 C ATOM 884 OD1 ASN A 53 -1.653 -2.388 -14.235 1.00 61.32 O ATOM 885 ND2 ASN A 53 -2.662 -1.641 -16.073 1.00 60.30 N ATOM 0 H ASN A 53 -1.726 0.023 -12.005 1.00 25.22 H new ATOM 0 HA ASN A 53 -0.035 -0.729 -13.207 1.00 2.11 H new ATOM 0 HB2 ASN A 53 -1.400 0.512 -15.629 1.00 73.13 H new ATOM 0 HB3 ASN A 53 0.023 -0.508 -15.705 1.00 73.13 H new ATOM 0 HD21 ASN A 53 -3.292 -2.443 -16.098 1.00 60.30 H new ATOM 0 HD22 ASN A 53 -2.728 -0.918 -16.790 1.00 60.30 H new ATOM 892 N GLU A 54 0.290 2.342 -13.011 1.00 54.43 N ATOM 893 CA GLU A 54 1.276 3.415 -12.808 1.00 5.43 C ATOM 894 C GLU A 54 2.080 3.188 -11.514 1.00 13.14 C ATOM 895 O GLU A 54 1.548 2.700 -10.517 1.00 12.45 O ATOM 896 CB GLU A 54 0.583 4.786 -12.730 1.00 33.30 C ATOM 897 CG GLU A 54 -0.255 5.140 -13.953 1.00 21.32 C ATOM 898 CD GLU A 54 -0.832 6.546 -13.870 1.00 13.02 C ATOM 899 OE1 GLU A 54 -1.882 6.733 -13.222 1.00 31.32 O ATOM 900 OE2 GLU A 54 -0.227 7.480 -14.439 1.00 72.44 O ATOM 0 H GLU A 54 -0.610 2.516 -12.565 1.00 54.43 H new ATOM 0 HA GLU A 54 1.954 3.398 -13.661 1.00 5.43 H new ATOM 0 HB2 GLU A 54 -0.057 4.806 -11.848 1.00 33.30 H new ATOM 0 HB3 GLU A 54 1.342 5.556 -12.590 1.00 33.30 H new ATOM 0 HG2 GLU A 54 0.360 5.054 -14.849 1.00 21.32 H new ATOM 0 HG3 GLU A 54 -1.068 4.421 -14.054 1.00 21.32 H new ATOM 907 N MET A 55 3.361 3.545 -11.530 1.00 63.41 N ATOM 908 CA MET A 55 4.214 3.432 -10.339 1.00 54.15 C ATOM 909 C MET A 55 3.954 4.602 -9.368 1.00 63.23 C ATOM 910 O MET A 55 4.190 5.761 -9.708 1.00 32.41 O ATOM 911 CB MET A 55 5.693 3.411 -10.753 1.00 51.40 C ATOM 912 CG MET A 55 6.673 3.099 -9.617 1.00 53.13 C ATOM 913 SD MET A 55 7.013 1.331 -9.416 1.00 42.01 S ATOM 914 CE MET A 55 5.438 0.695 -8.840 1.00 75.44 C ATOM 0 H MET A 55 3.836 3.916 -12.353 1.00 63.41 H new ATOM 0 HA MET A 55 3.972 2.500 -9.828 1.00 54.15 H new ATOM 0 HB2 MET A 55 5.825 2.670 -11.542 1.00 51.40 H new ATOM 0 HB3 MET A 55 5.950 4.380 -11.180 1.00 51.40 H new ATOM 0 HG2 MET A 55 7.611 3.622 -9.804 1.00 53.13 H new ATOM 0 HG3 MET A 55 6.270 3.491 -8.683 1.00 53.13 H new ATOM 0 HE1 MET A 55 5.604 -0.202 -8.243 1.00 75.44 H new ATOM 0 HE2 MET A 55 4.942 1.450 -8.230 1.00 75.44 H new ATOM 0 HE3 MET A 55 4.810 0.450 -9.696 1.00 75.44 H new ATOM 924 N VAL A 56 3.479 4.293 -8.160 1.00 71.52 N ATOM 925 CA VAL A 56 3.120 5.330 -7.178 1.00 10.25 C ATOM 926 C VAL A 56 4.363 5.996 -6.562 1.00 43.32 C ATOM 927 O VAL A 56 5.148 5.351 -5.863 1.00 24.41 O ATOM 928 CB VAL A 56 2.236 4.752 -6.041 1.00 31.32 C ATOM 929 CG1 VAL A 56 1.863 5.837 -5.030 1.00 61.42 C ATOM 930 CG2 VAL A 56 0.981 4.091 -6.615 1.00 35.12 C ATOM 0 H VAL A 56 3.333 3.338 -7.834 1.00 71.52 H new ATOM 0 HA VAL A 56 2.555 6.085 -7.725 1.00 10.25 H new ATOM 0 HB VAL A 56 2.815 3.991 -5.518 1.00 31.32 H new ATOM 0 HG11 VAL A 56 1.244 5.405 -4.244 1.00 61.42 H new ATOM 0 HG12 VAL A 56 2.770 6.252 -4.590 1.00 61.42 H new ATOM 0 HG13 VAL A 56 1.309 6.629 -5.534 1.00 61.42 H new ATOM 0 HG21 VAL A 56 0.375 3.692 -5.801 1.00 35.12 H new ATOM 0 HG22 VAL A 56 0.402 4.829 -7.170 1.00 35.12 H new ATOM 0 HG23 VAL A 56 1.270 3.280 -7.283 1.00 35.12 H new ATOM 940 N GLN A 57 4.535 7.290 -6.828 1.00 54.20 N ATOM 941 CA GLN A 57 5.652 8.055 -6.268 1.00 13.35 C ATOM 942 C GLN A 57 5.284 8.669 -4.908 1.00 75.23 C ATOM 943 O GLN A 57 4.430 9.553 -4.817 1.00 2.41 O ATOM 944 CB GLN A 57 6.069 9.167 -7.239 1.00 61.03 C ATOM 945 CG GLN A 57 6.574 8.670 -8.592 1.00 40.30 C ATOM 946 CD GLN A 57 7.887 7.916 -8.492 1.00 30.14 C ATOM 947 OE1 GLN A 57 7.919 6.698 -8.349 1.00 53.45 O ATOM 948 NE2 GLN A 57 8.984 8.640 -8.560 1.00 24.31 N ATOM 0 H GLN A 57 3.915 7.833 -7.429 1.00 54.20 H new ATOM 0 HA GLN A 57 6.485 7.368 -6.119 1.00 13.35 H new ATOM 0 HB2 GLN A 57 5.217 9.827 -7.403 1.00 61.03 H new ATOM 0 HB3 GLN A 57 6.850 9.766 -6.771 1.00 61.03 H new ATOM 0 HG2 GLN A 57 5.821 8.021 -9.039 1.00 40.30 H new ATOM 0 HG3 GLN A 57 6.699 9.521 -9.262 1.00 40.30 H new ATOM 0 HE21 GLN A 57 8.921 9.651 -8.679 1.00 24.31 H new ATOM 0 HE22 GLN A 57 9.897 8.190 -8.493 1.00 24.31 H new ATOM 957 N PHE A 58 5.969 8.229 -3.855 1.00 53.21 N ATOM 958 CA PHE A 58 5.717 8.720 -2.489 1.00 3.22 C ATOM 959 C PHE A 58 6.456 10.048 -2.223 1.00 32.31 C ATOM 960 O PHE A 58 6.723 10.415 -1.078 1.00 2.03 O ATOM 961 CB PHE A 58 6.165 7.652 -1.479 1.00 32.01 C ATOM 962 CG PHE A 58 5.706 6.261 -1.839 1.00 23.33 C ATOM 963 CD1 PHE A 58 4.403 5.857 -1.598 1.00 25.13 C ATOM 964 CD2 PHE A 58 6.580 5.361 -2.437 1.00 61.40 C ATOM 965 CE1 PHE A 58 3.979 4.589 -1.944 1.00 41.52 C ATOM 966 CE2 PHE A 58 6.161 4.090 -2.781 1.00 63.31 C ATOM 967 CZ PHE A 58 4.859 3.703 -2.536 1.00 35.01 C ATOM 0 H PHE A 58 6.709 7.529 -3.916 1.00 53.21 H new ATOM 0 HA PHE A 58 4.649 8.910 -2.378 1.00 3.22 H new ATOM 0 HB2 PHE A 58 7.253 7.662 -1.409 1.00 32.01 H new ATOM 0 HB3 PHE A 58 5.780 7.910 -0.493 1.00 32.01 H new ATOM 0 HD1 PHE A 58 3.710 6.543 -1.133 1.00 25.13 H new ATOM 0 HD2 PHE A 58 7.599 5.659 -2.635 1.00 61.40 H new ATOM 0 HE1 PHE A 58 2.959 4.290 -1.752 1.00 41.52 H new ATOM 0 HE2 PHE A 58 6.852 3.400 -3.241 1.00 63.31 H new ATOM 0 HZ PHE A 58 4.529 2.711 -2.806 1.00 35.01 H new ATOM 977 N ASN A 59 6.761 10.768 -3.300 1.00 35.55 N ATOM 978 CA ASN A 59 7.571 11.994 -3.233 1.00 52.32 C ATOM 979 C ASN A 59 6.773 13.246 -2.813 1.00 11.22 C ATOM 980 O ASN A 59 7.361 14.304 -2.595 1.00 33.03 O ATOM 981 CB ASN A 59 8.236 12.255 -4.594 1.00 60.53 C ATOM 982 CG ASN A 59 7.281 12.791 -5.662 1.00 62.15 C ATOM 983 OD1 ASN A 59 7.682 13.557 -6.529 1.00 14.24 O ATOM 984 ND2 ASN A 59 6.014 12.413 -5.618 1.00 65.54 N ATOM 0 H ASN A 59 6.458 10.524 -4.243 1.00 35.55 H new ATOM 0 HA ASN A 59 8.318 11.820 -2.458 1.00 52.32 H new ATOM 0 HB2 ASN A 59 9.049 12.968 -4.458 1.00 60.53 H new ATOM 0 HB3 ASN A 59 8.682 11.327 -4.953 1.00 60.53 H new ATOM 0 HD21 ASN A 59 5.354 12.760 -6.314 1.00 65.54 H new ATOM 0 HD22 ASN A 59 5.697 11.774 -4.889 1.00 65.54 H new ATOM 991 N THR A 60 5.450 13.141 -2.701 1.00 3.04 N ATOM 992 CA THR A 60 4.610 14.335 -2.475 1.00 61.41 C ATOM 993 C THR A 60 3.974 14.362 -1.077 1.00 12.24 C ATOM 994 O THR A 60 4.064 13.398 -0.317 1.00 12.23 O ATOM 995 CB THR A 60 3.490 14.454 -3.538 1.00 23.05 C ATOM 996 OG1 THR A 60 2.770 15.688 -3.364 1.00 34.04 O ATOM 997 CG2 THR A 60 2.519 13.279 -3.458 1.00 41.53 C ATOM 0 H THR A 60 4.936 12.262 -2.760 1.00 3.04 H new ATOM 0 HA THR A 60 5.287 15.185 -2.559 1.00 61.41 H new ATOM 0 HB THR A 60 3.962 14.442 -4.520 1.00 23.05 H new ATOM 0 HG1 THR A 60 2.065 15.754 -4.042 1.00 34.04 H new ATOM 0 HG21 THR A 60 1.746 13.394 -4.217 1.00 41.53 H new ATOM 0 HG22 THR A 60 3.060 12.348 -3.628 1.00 41.53 H new ATOM 0 HG23 THR A 60 2.057 13.255 -2.471 1.00 41.53 H new ATOM 1005 N ASP A 61 3.315 15.477 -0.766 1.00 61.43 N ATOM 1006 CA ASP A 61 2.687 15.697 0.545 1.00 31.11 C ATOM 1007 C ASP A 61 1.459 14.788 0.754 1.00 45.45 C ATOM 1008 O ASP A 61 1.156 14.381 1.874 1.00 52.33 O ATOM 1009 CB ASP A 61 2.279 17.173 0.657 1.00 54.14 C ATOM 1010 CG ASP A 61 1.723 17.541 2.021 1.00 13.40 C ATOM 1011 OD1 ASP A 61 2.526 17.779 2.947 1.00 71.20 O ATOM 1012 OD2 ASP A 61 0.484 17.617 2.169 1.00 75.24 O ATOM 0 H ASP A 61 3.199 16.257 -1.413 1.00 61.43 H new ATOM 0 HA ASP A 61 3.409 15.444 1.322 1.00 31.11 H new ATOM 0 HB2 ASP A 61 3.145 17.799 0.445 1.00 54.14 H new ATOM 0 HB3 ASP A 61 1.531 17.395 -0.104 1.00 54.14 H new ATOM 1017 N ARG A 62 0.768 14.471 -0.339 1.00 11.13 N ATOM 1018 CA ARG A 62 -0.445 13.642 -0.282 1.00 43.12 C ATOM 1019 C ARG A 62 -0.135 12.151 -0.083 1.00 11.04 C ATOM 1020 O ARG A 62 -0.918 11.424 0.525 1.00 5.54 O ATOM 1021 CB ARG A 62 -1.260 13.809 -1.570 1.00 20.24 C ATOM 1022 CG ARG A 62 -1.910 15.178 -1.736 1.00 11.11 C ATOM 1023 CD ARG A 62 -2.732 15.236 -3.017 1.00 72.53 C ATOM 1024 NE ARG A 62 -3.539 16.447 -3.118 1.00 34.31 N ATOM 1025 CZ ARG A 62 -4.314 16.720 -4.133 1.00 23.01 C ATOM 1026 NH1 ARG A 62 -4.389 15.909 -5.142 1.00 1.52 N ATOM 1027 NH2 ARG A 62 -5.021 17.800 -4.122 1.00 33.03 N ATOM 0 H ARG A 62 1.024 14.774 -1.279 1.00 11.13 H new ATOM 0 HA ARG A 62 -1.016 13.985 0.581 1.00 43.12 H new ATOM 0 HB2 ARG A 62 -0.608 13.625 -2.424 1.00 20.24 H new ATOM 0 HB3 ARG A 62 -2.038 13.046 -1.593 1.00 20.24 H new ATOM 0 HG2 ARG A 62 -2.549 15.388 -0.879 1.00 11.11 H new ATOM 0 HG3 ARG A 62 -1.141 15.950 -1.757 1.00 11.11 H new ATOM 0 HD2 ARG A 62 -2.063 15.179 -3.875 1.00 72.53 H new ATOM 0 HD3 ARG A 62 -3.385 14.365 -3.063 1.00 72.53 H new ATOM 0 HE ARG A 62 -3.495 17.119 -2.352 1.00 34.31 H new ATOM 0 HH11 ARG A 62 -3.840 15.049 -5.147 1.00 1.52 H new ATOM 0 HH12 ARG A 62 -4.997 16.131 -5.930 1.00 1.52 H new ATOM 0 HH21 ARG A 62 -4.972 18.434 -3.324 1.00 33.03 H new ATOM 0 HH22 ARG A 62 -5.629 18.020 -4.911 1.00 33.03 H new ATOM 1041 N ILE A 63 1.004 11.699 -0.600 1.00 1.55 N ATOM 1042 CA ILE A 63 1.323 10.264 -0.625 1.00 64.44 C ATOM 1043 C ILE A 63 2.543 9.939 0.247 1.00 54.31 C ATOM 1044 O ILE A 63 3.615 10.526 0.087 1.00 65.15 O ATOM 1045 CB ILE A 63 1.592 9.777 -2.074 1.00 12.01 C ATOM 1046 CG1 ILE A 63 0.418 10.144 -3.001 1.00 54.13 C ATOM 1047 CG2 ILE A 63 1.844 8.269 -2.104 1.00 31.15 C ATOM 1048 CD1 ILE A 63 -0.909 9.536 -2.591 1.00 4.13 C ATOM 0 H ILE A 63 1.722 12.298 -1.007 1.00 1.55 H new ATOM 0 HA ILE A 63 0.454 9.743 -0.222 1.00 64.44 H new ATOM 0 HB ILE A 63 2.488 10.281 -2.437 1.00 12.01 H new ATOM 0 HG12 ILE A 63 0.316 11.229 -3.027 1.00 54.13 H new ATOM 0 HG13 ILE A 63 0.655 9.822 -4.015 1.00 54.13 H new ATOM 0 HG21 ILE A 63 2.030 7.952 -3.130 1.00 31.15 H new ATOM 0 HG22 ILE A 63 2.712 8.033 -1.488 1.00 31.15 H new ATOM 0 HG23 ILE A 63 0.970 7.746 -1.715 1.00 31.15 H new ATOM 0 HD11 ILE A 63 -1.683 9.843 -3.295 1.00 4.13 H new ATOM 0 HD12 ILE A 63 -0.827 8.449 -2.593 1.00 4.13 H new ATOM 0 HD13 ILE A 63 -1.172 9.878 -1.590 1.00 4.13 H new ATOM 1060 N SER A 64 2.373 8.997 1.171 1.00 14.14 N ATOM 1061 CA SER A 64 3.467 8.552 2.049 1.00 55.54 C ATOM 1062 C SER A 64 3.354 7.053 2.356 1.00 33.02 C ATOM 1063 O SER A 64 2.255 6.508 2.438 1.00 62.43 O ATOM 1064 CB SER A 64 3.466 9.349 3.364 1.00 61.02 C ATOM 1065 OG SER A 64 3.791 10.719 3.155 1.00 44.10 O ATOM 0 H SER A 64 1.486 8.521 1.336 1.00 14.14 H new ATOM 0 HA SER A 64 4.405 8.731 1.523 1.00 55.54 H new ATOM 0 HB2 SER A 64 2.484 9.276 3.832 1.00 61.02 H new ATOM 0 HB3 SER A 64 4.183 8.908 4.057 1.00 61.02 H new ATOM 0 HG SER A 64 3.779 11.193 4.013 1.00 44.10 H new ATOM 1071 N LEU A 65 4.496 6.392 2.522 1.00 74.23 N ATOM 1072 CA LEU A 65 4.526 4.957 2.838 1.00 34.52 C ATOM 1073 C LEU A 65 5.549 4.656 3.938 1.00 31.40 C ATOM 1074 O LEU A 65 6.684 5.134 3.888 1.00 23.50 O ATOM 1075 CB LEU A 65 4.879 4.144 1.584 1.00 45.40 C ATOM 1076 CG LEU A 65 5.011 2.623 1.798 1.00 75.13 C ATOM 1077 CD1 LEU A 65 3.660 1.997 2.143 1.00 34.11 C ATOM 1078 CD2 LEU A 65 5.630 1.951 0.573 1.00 14.11 C ATOM 0 H LEU A 65 5.417 6.823 2.444 1.00 74.23 H new ATOM 0 HA LEU A 65 3.535 4.674 3.192 1.00 34.52 H new ATOM 0 HB2 LEU A 65 4.114 4.323 0.829 1.00 45.40 H new ATOM 0 HB3 LEU A 65 5.819 4.520 1.181 1.00 45.40 H new ATOM 0 HG LEU A 65 5.679 2.461 2.644 1.00 75.13 H new ATOM 0 HD11 LEU A 65 3.783 0.924 2.289 1.00 34.11 H new ATOM 0 HD12 LEU A 65 3.274 2.446 3.058 1.00 34.11 H new ATOM 0 HD13 LEU A 65 2.958 2.175 1.328 1.00 34.11 H new ATOM 0 HD21 LEU A 65 5.712 0.878 0.749 1.00 14.11 H new ATOM 0 HD22 LEU A 65 4.998 2.128 -0.297 1.00 14.11 H new ATOM 0 HD23 LEU A 65 6.621 2.366 0.392 1.00 14.11 H new ATOM 1090 N TYR A 66 5.156 3.853 4.921 1.00 72.25 N ATOM 1091 CA TYR A 66 6.090 3.418 5.964 1.00 42.32 C ATOM 1092 C TYR A 66 5.841 1.956 6.353 1.00 73.35 C ATOM 1093 O TYR A 66 4.739 1.428 6.177 1.00 42.54 O ATOM 1094 CB TYR A 66 5.983 4.321 7.211 1.00 33.04 C ATOM 1095 CG TYR A 66 4.764 4.063 8.088 1.00 22.02 C ATOM 1096 CD1 TYR A 66 4.815 3.128 9.121 1.00 71.22 C ATOM 1097 CD2 TYR A 66 3.569 4.752 7.893 1.00 33.22 C ATOM 1098 CE1 TYR A 66 3.721 2.886 9.925 1.00 0.13 C ATOM 1099 CE2 TYR A 66 2.467 4.513 8.698 1.00 71.13 C ATOM 1100 CZ TYR A 66 2.550 3.579 9.712 1.00 64.23 C ATOM 1101 OH TYR A 66 1.457 3.331 10.519 1.00 73.13 O ATOM 0 H TYR A 66 4.208 3.491 5.021 1.00 72.25 H new ATOM 0 HA TYR A 66 7.098 3.501 5.558 1.00 42.32 H new ATOM 0 HB2 TYR A 66 6.881 4.190 7.815 1.00 33.04 H new ATOM 0 HB3 TYR A 66 5.966 5.362 6.887 1.00 33.04 H new ATOM 0 HD1 TYR A 66 5.730 2.582 9.295 1.00 71.22 H new ATOM 0 HD2 TYR A 66 3.501 5.484 7.102 1.00 33.22 H new ATOM 0 HE1 TYR A 66 3.782 2.156 10.719 1.00 0.13 H new ATOM 0 HE2 TYR A 66 1.547 5.055 8.533 1.00 71.13 H new ATOM 0 HH TYR A 66 0.709 3.901 10.241 1.00 73.13 H new ATOM 1111 N GLN A 67 6.877 1.306 6.872 1.00 13.23 N ATOM 1112 CA GLN A 67 6.742 -0.037 7.441 1.00 73.13 C ATOM 1113 C GLN A 67 7.207 -0.040 8.906 1.00 54.43 C ATOM 1114 O GLN A 67 8.337 0.353 9.216 1.00 20.12 O ATOM 1115 CB GLN A 67 7.532 -1.076 6.619 1.00 13.42 C ATOM 1116 CG GLN A 67 9.032 -0.801 6.516 1.00 13.40 C ATOM 1117 CD GLN A 67 9.796 -1.960 5.890 1.00 23.52 C ATOM 1118 OE1 GLN A 67 10.254 -2.860 6.584 1.00 54.23 O ATOM 1119 NE2 GLN A 67 9.944 -1.952 4.580 1.00 43.44 N ATOM 0 H GLN A 67 7.823 1.685 6.912 1.00 13.23 H new ATOM 0 HA GLN A 67 5.689 -0.317 7.404 1.00 73.13 H new ATOM 0 HB2 GLN A 67 7.386 -2.060 7.066 1.00 13.42 H new ATOM 0 HB3 GLN A 67 7.114 -1.118 5.613 1.00 13.42 H new ATOM 0 HG2 GLN A 67 9.193 0.099 5.922 1.00 13.40 H new ATOM 0 HG3 GLN A 67 9.431 -0.602 7.511 1.00 13.40 H new ATOM 0 HE21 GLN A 67 9.552 -1.190 4.027 1.00 43.44 H new ATOM 0 HE22 GLN A 67 10.450 -2.708 4.119 1.00 43.44 H new ATOM 1128 N ASP A 68 6.324 -0.469 9.801 1.00 65.03 N ATOM 1129 CA ASP A 68 6.616 -0.486 11.236 1.00 20.24 C ATOM 1130 C ASP A 68 7.470 -1.713 11.609 1.00 33.44 C ATOM 1131 O ASP A 68 7.490 -2.707 10.882 1.00 33.13 O ATOM 1132 CB ASP A 68 5.299 -0.479 12.028 1.00 62.21 C ATOM 1133 CG ASP A 68 5.508 -0.278 13.521 1.00 33.30 C ATOM 1134 OD1 ASP A 68 5.846 -1.256 14.215 1.00 73.42 O ATOM 1135 OD2 ASP A 68 5.346 0.861 14.005 1.00 61.45 O ATOM 0 H ASP A 68 5.394 -0.812 9.560 1.00 65.03 H new ATOM 0 HA ASP A 68 7.190 0.405 11.490 1.00 20.24 H new ATOM 0 HB2 ASP A 68 4.655 0.314 11.646 1.00 62.21 H new ATOM 0 HB3 ASP A 68 4.776 -1.421 11.863 1.00 62.21 H new ATOM 1140 N ASN A 69 8.157 -1.641 12.751 1.00 51.15 N ATOM 1141 CA ASN A 69 9.032 -2.731 13.213 1.00 43.13 C ATOM 1142 C ASN A 69 8.263 -4.055 13.400 1.00 52.54 C ATOM 1143 O ASN A 69 8.849 -5.136 13.341 1.00 72.44 O ATOM 1144 CB ASN A 69 9.719 -2.337 14.524 1.00 34.41 C ATOM 1145 CG ASN A 69 10.504 -1.048 14.385 1.00 55.32 C ATOM 1146 OD1 ASN A 69 11.660 -1.049 13.978 1.00 13.14 O ATOM 1147 ND2 ASN A 69 9.888 0.061 14.730 1.00 34.32 N ATOM 0 H ASN A 69 8.127 -0.837 13.378 1.00 51.15 H new ATOM 0 HA ASN A 69 9.783 -2.893 12.440 1.00 43.13 H new ATOM 0 HB2 ASN A 69 8.969 -2.223 15.307 1.00 34.41 H new ATOM 0 HB3 ASN A 69 10.388 -3.138 14.838 1.00 34.41 H new ATOM 0 HD21 ASN A 69 10.373 0.956 14.663 1.00 34.32 H new ATOM 0 HD22 ASN A 69 8.925 0.027 15.065 1.00 34.32 H new ATOM 1154 N THR A 70 6.952 -3.961 13.622 1.00 43.15 N ATOM 1155 CA THR A 70 6.095 -5.152 13.747 1.00 24.44 C ATOM 1156 C THR A 70 5.738 -5.748 12.372 1.00 34.23 C ATOM 1157 O THR A 70 4.979 -6.714 12.282 1.00 73.31 O ATOM 1158 CB THR A 70 4.783 -4.835 14.511 1.00 3.54 C ATOM 1159 OG1 THR A 70 4.011 -6.033 14.716 1.00 62.14 O ATOM 1160 CG2 THR A 70 3.936 -3.816 13.755 1.00 4.15 C ATOM 0 H THR A 70 6.455 -3.075 13.720 1.00 43.15 H new ATOM 0 HA THR A 70 6.673 -5.883 14.313 1.00 24.44 H new ATOM 0 HB THR A 70 5.063 -4.414 15.477 1.00 3.54 H new ATOM 0 HG1 THR A 70 4.187 -6.664 13.987 1.00 62.14 H new ATOM 0 HG21 THR A 70 3.023 -3.614 14.315 1.00 4.15 H new ATOM 0 HG22 THR A 70 4.500 -2.891 13.635 1.00 4.15 H new ATOM 0 HG23 THR A 70 3.679 -4.214 12.773 1.00 4.15 H new ATOM 1168 N GLY A 71 6.282 -5.162 11.305 1.00 62.01 N ATOM 1169 CA GLY A 71 6.000 -5.638 9.955 1.00 33.24 C ATOM 1170 C GLY A 71 4.707 -5.071 9.375 1.00 44.34 C ATOM 1171 O GLY A 71 4.088 -5.687 8.507 1.00 43.41 O ATOM 0 H GLY A 71 6.915 -4.364 11.350 1.00 62.01 H new ATOM 0 HA2 GLY A 71 6.831 -5.372 9.302 1.00 33.24 H new ATOM 0 HA3 GLY A 71 5.939 -6.726 9.966 1.00 33.24 H new ATOM 1175 N ARG A 72 4.291 -3.899 9.856 1.00 63.34 N ATOM 1176 CA ARG A 72 3.051 -3.272 9.379 1.00 20.35 C ATOM 1177 C ARG A 72 3.317 -2.334 8.195 1.00 55.13 C ATOM 1178 O ARG A 72 3.983 -1.308 8.344 1.00 20.35 O ATOM 1179 CB ARG A 72 2.365 -2.487 10.507 1.00 65.15 C ATOM 1180 CG ARG A 72 0.964 -1.996 10.140 1.00 42.12 C ATOM 1181 CD ARG A 72 0.324 -1.176 11.257 1.00 4.12 C ATOM 1182 NE ARG A 72 0.968 0.125 11.434 1.00 11.02 N ATOM 1183 CZ ARG A 72 1.440 0.567 12.570 1.00 74.40 C ATOM 1184 NH1 ARG A 72 1.439 -0.184 13.628 1.00 0.12 N ATOM 1185 NH2 ARG A 72 1.923 1.763 12.648 1.00 14.11 N ATOM 0 H ARG A 72 4.787 -3.366 10.570 1.00 63.34 H new ATOM 0 HA ARG A 72 2.392 -4.075 9.048 1.00 20.35 H new ATOM 0 HB2 ARG A 72 2.300 -3.119 11.392 1.00 65.15 H new ATOM 0 HB3 ARG A 72 2.984 -1.630 10.772 1.00 65.15 H new ATOM 0 HG2 ARG A 72 1.019 -1.391 9.235 1.00 42.12 H new ATOM 0 HG3 ARG A 72 0.330 -2.853 9.913 1.00 42.12 H new ATOM 0 HD2 ARG A 72 -0.733 -1.028 11.035 1.00 4.12 H new ATOM 0 HD3 ARG A 72 0.378 -1.735 12.191 1.00 4.12 H new ATOM 0 HE ARG A 72 1.055 0.728 10.616 1.00 11.02 H new ATOM 0 HH11 ARG A 72 1.067 -1.132 13.580 1.00 0.12 H new ATOM 0 HH12 ARG A 72 1.811 0.174 14.508 1.00 0.12 H new ATOM 0 HH21 ARG A 72 1.936 2.363 11.823 1.00 14.11 H new ATOM 0 HH22 ARG A 72 2.291 2.107 13.535 1.00 14.11 H new ATOM 1199 N VAL A 73 2.793 -2.688 7.028 1.00 60.15 N ATOM 1200 CA VAL A 73 2.908 -1.846 5.836 1.00 2.44 C ATOM 1201 C VAL A 73 1.666 -0.960 5.685 1.00 13.12 C ATOM 1202 O VAL A 73 0.559 -1.458 5.459 1.00 73.52 O ATOM 1203 CB VAL A 73 3.090 -2.704 4.559 1.00 1.24 C ATOM 1204 CG1 VAL A 73 3.181 -1.823 3.310 1.00 24.11 C ATOM 1205 CG2 VAL A 73 4.324 -3.595 4.690 1.00 20.13 C ATOM 0 H VAL A 73 2.281 -3.557 6.878 1.00 60.15 H new ATOM 0 HA VAL A 73 3.789 -1.216 5.960 1.00 2.44 H new ATOM 0 HB VAL A 73 2.213 -3.342 4.449 1.00 1.24 H new ATOM 0 HG11 VAL A 73 3.308 -2.452 2.429 1.00 24.11 H new ATOM 0 HG12 VAL A 73 2.266 -1.239 3.209 1.00 24.11 H new ATOM 0 HG13 VAL A 73 4.033 -1.150 3.401 1.00 24.11 H new ATOM 0 HG21 VAL A 73 4.439 -4.192 3.785 1.00 20.13 H new ATOM 0 HG22 VAL A 73 5.208 -2.973 4.830 1.00 20.13 H new ATOM 0 HG23 VAL A 73 4.206 -4.256 5.549 1.00 20.13 H new ATOM 1215 N THR A 74 1.853 0.352 5.822 1.00 30.42 N ATOM 1216 CA THR A 74 0.736 1.303 5.775 1.00 61.22 C ATOM 1217 C THR A 74 0.932 2.369 4.684 1.00 22.35 C ATOM 1218 O THR A 74 1.890 3.145 4.724 1.00 13.33 O ATOM 1219 CB THR A 74 0.552 2.020 7.136 1.00 2.45 C ATOM 1220 OG1 THR A 74 0.368 1.060 8.189 1.00 21.44 O ATOM 1221 CG2 THR A 74 -0.643 2.971 7.105 1.00 70.04 C ATOM 0 H THR A 74 2.766 0.783 5.967 1.00 30.42 H new ATOM 0 HA THR A 74 -0.153 0.716 5.543 1.00 61.22 H new ATOM 0 HB THR A 74 1.455 2.600 7.325 1.00 2.45 H new ATOM 0 HG1 THR A 74 0.097 1.522 9.010 1.00 21.44 H new ATOM 0 HG21 THR A 74 -0.745 3.459 8.075 1.00 70.04 H new ATOM 0 HG22 THR A 74 -0.488 3.726 6.334 1.00 70.04 H new ATOM 0 HG23 THR A 74 -1.550 2.408 6.884 1.00 70.04 H new ATOM 1229 N LEU A 75 0.020 2.393 3.713 1.00 63.32 N ATOM 1230 CA LEU A 75 0.008 3.420 2.664 1.00 75.32 C ATOM 1231 C LEU A 75 -0.909 4.592 3.057 1.00 2.43 C ATOM 1232 O LEU A 75 -2.112 4.412 3.262 1.00 72.03 O ATOM 1233 CB LEU A 75 -0.463 2.815 1.332 1.00 4.44 C ATOM 1234 CG LEU A 75 -0.546 3.803 0.151 1.00 12.31 C ATOM 1235 CD1 LEU A 75 0.832 4.369 -0.187 1.00 60.34 C ATOM 1236 CD2 LEU A 75 -1.172 3.137 -1.072 1.00 33.25 C ATOM 0 H LEU A 75 -0.729 1.706 3.628 1.00 63.32 H new ATOM 0 HA LEU A 75 1.024 3.797 2.547 1.00 75.32 H new ATOM 0 HB2 LEU A 75 0.215 2.006 1.060 1.00 4.44 H new ATOM 0 HB3 LEU A 75 -1.447 2.370 1.482 1.00 4.44 H new ATOM 0 HG LEU A 75 -1.187 4.632 0.452 1.00 12.31 H new ATOM 0 HD11 LEU A 75 0.745 5.063 -1.023 1.00 60.34 H new ATOM 0 HD12 LEU A 75 1.232 4.894 0.680 1.00 60.34 H new ATOM 0 HD13 LEU A 75 1.503 3.554 -0.460 1.00 60.34 H new ATOM 0 HD21 LEU A 75 -1.220 3.854 -1.892 1.00 33.25 H new ATOM 0 HD22 LEU A 75 -0.565 2.283 -1.372 1.00 33.25 H new ATOM 0 HD23 LEU A 75 -2.179 2.799 -0.827 1.00 33.25 H new ATOM 1248 N LEU A 76 -0.334 5.785 3.155 1.00 33.05 N ATOM 1249 CA LEU A 76 -1.078 6.993 3.545 1.00 34.41 C ATOM 1250 C LEU A 76 -1.403 7.867 2.325 1.00 34.22 C ATOM 1251 O LEU A 76 -0.504 8.277 1.585 1.00 33.22 O ATOM 1252 CB LEU A 76 -0.254 7.805 4.555 1.00 62.51 C ATOM 1253 CG LEU A 76 0.138 7.053 5.839 1.00 50.14 C ATOM 1254 CD1 LEU A 76 1.063 7.908 6.698 1.00 43.15 C ATOM 1255 CD2 LEU A 76 -1.105 6.645 6.627 1.00 73.44 C ATOM 0 H LEU A 76 0.655 5.950 2.969 1.00 33.05 H new ATOM 0 HA LEU A 76 -2.018 6.680 4.000 1.00 34.41 H new ATOM 0 HB2 LEU A 76 0.656 8.150 4.063 1.00 62.51 H new ATOM 0 HB3 LEU A 76 -0.822 8.693 4.833 1.00 62.51 H new ATOM 0 HG LEU A 76 0.673 6.147 5.555 1.00 50.14 H new ATOM 0 HD11 LEU A 76 1.330 7.360 7.602 1.00 43.15 H new ATOM 0 HD12 LEU A 76 1.967 8.143 6.136 1.00 43.15 H new ATOM 0 HD13 LEU A 76 0.554 8.833 6.971 1.00 43.15 H new ATOM 0 HD21 LEU A 76 -0.805 6.115 7.531 1.00 73.44 H new ATOM 0 HD22 LEU A 76 -1.671 7.535 6.900 1.00 73.44 H new ATOM 0 HD23 LEU A 76 -1.727 5.993 6.014 1.00 73.44 H new ATOM 1267 N ILE A 77 -2.689 8.151 2.122 1.00 60.42 N ATOM 1268 CA ILE A 77 -3.138 8.996 1.006 1.00 61.14 C ATOM 1269 C ILE A 77 -4.059 10.126 1.501 1.00 75.54 C ATOM 1270 O ILE A 77 -5.167 9.876 1.977 1.00 65.20 O ATOM 1271 CB ILE A 77 -3.871 8.158 -0.075 1.00 42.42 C ATOM 1272 CG1 ILE A 77 -2.932 7.073 -0.634 1.00 64.01 C ATOM 1273 CG2 ILE A 77 -4.391 9.056 -1.199 1.00 44.11 C ATOM 1274 CD1 ILE A 77 -3.579 6.157 -1.651 1.00 20.05 C ATOM 0 H ILE A 77 -3.444 7.809 2.716 1.00 60.42 H new ATOM 0 HA ILE A 77 -2.248 9.439 0.559 1.00 61.14 H new ATOM 0 HB ILE A 77 -4.728 7.670 0.388 1.00 42.42 H new ATOM 0 HG12 ILE A 77 -2.070 7.556 -1.093 1.00 64.01 H new ATOM 0 HG13 ILE A 77 -2.557 6.471 0.194 1.00 64.01 H new ATOM 0 HG21 ILE A 77 -4.901 8.447 -1.945 1.00 44.11 H new ATOM 0 HG22 ILE A 77 -5.088 9.786 -0.788 1.00 44.11 H new ATOM 0 HG23 ILE A 77 -3.554 9.576 -1.666 1.00 44.11 H new ATOM 0 HD11 ILE A 77 -2.851 5.422 -1.994 1.00 20.05 H new ATOM 0 HD12 ILE A 77 -4.424 5.643 -1.192 1.00 20.05 H new ATOM 0 HD13 ILE A 77 -3.929 6.745 -2.499 1.00 20.05 H new ATOM 1286 N LYS A 78 -3.587 11.368 1.388 1.00 1.44 N ATOM 1287 CA LYS A 78 -4.331 12.548 1.858 1.00 71.23 C ATOM 1288 C LYS A 78 -4.801 13.435 0.698 1.00 14.40 C ATOM 1289 O LYS A 78 -4.233 13.394 -0.393 1.00 72.14 O ATOM 1290 CB LYS A 78 -3.441 13.390 2.784 1.00 31.01 C ATOM 1291 CG LYS A 78 -3.026 12.691 4.073 1.00 55.45 C ATOM 1292 CD LYS A 78 -2.048 13.548 4.873 1.00 71.50 C ATOM 1293 CE LYS A 78 -1.756 12.953 6.240 1.00 62.14 C ATOM 1294 NZ LYS A 78 -2.978 12.881 7.082 1.00 65.24 N ATOM 0 H LYS A 78 -2.683 11.589 0.971 1.00 1.44 H new ATOM 0 HA LYS A 78 -5.209 12.182 2.391 1.00 71.23 H new ATOM 0 HB2 LYS A 78 -2.543 13.680 2.238 1.00 31.01 H new ATOM 0 HB3 LYS A 78 -3.970 14.308 3.038 1.00 31.01 H new ATOM 0 HG2 LYS A 78 -3.909 12.481 4.677 1.00 55.45 H new ATOM 0 HG3 LYS A 78 -2.565 11.731 3.838 1.00 55.45 H new ATOM 0 HD2 LYS A 78 -1.117 13.651 4.316 1.00 71.50 H new ATOM 0 HD3 LYS A 78 -2.459 14.550 4.994 1.00 71.50 H new ATOM 0 HE2 LYS A 78 -1.338 11.954 6.120 1.00 62.14 H new ATOM 0 HE3 LYS A 78 -1.001 13.556 6.745 1.00 62.14 H new ATOM 0 HZ1 LYS A 78 -2.707 12.749 8.077 1.00 65.24 H new ATOM 0 HZ2 LYS A 78 -3.519 13.764 6.985 1.00 65.24 H new ATOM 0 HZ3 LYS A 78 -3.565 12.080 6.774 1.00 65.24 H new ATOM 1308 N ASP A 79 -5.845 14.234 0.952 1.00 61.41 N ATOM 1309 CA ASP A 79 -6.286 15.282 0.015 1.00 61.33 C ATOM 1310 C ASP A 79 -6.625 14.699 -1.374 1.00 15.01 C ATOM 1311 O ASP A 79 -6.559 15.386 -2.396 1.00 61.14 O ATOM 1312 CB ASP A 79 -5.187 16.357 -0.076 1.00 2.12 C ATOM 1313 CG ASP A 79 -5.666 17.662 -0.692 1.00 45.15 C ATOM 1314 OD1 ASP A 79 -6.821 18.055 -0.438 1.00 34.14 O ATOM 1315 OD2 ASP A 79 -4.875 18.315 -1.409 1.00 62.34 O ATOM 0 H ASP A 79 -6.405 14.176 1.803 1.00 61.41 H new ATOM 0 HA ASP A 79 -7.205 15.735 0.389 1.00 61.33 H new ATOM 0 HB2 ASP A 79 -4.801 16.556 0.924 1.00 2.12 H new ATOM 0 HB3 ASP A 79 -4.357 15.968 -0.667 1.00 2.12 H new ATOM 1320 N VAL A 80 -7.032 13.433 -1.385 1.00 71.21 N ATOM 1321 CA VAL A 80 -7.303 12.697 -2.626 1.00 72.23 C ATOM 1322 C VAL A 80 -8.655 13.107 -3.253 1.00 43.24 C ATOM 1323 O VAL A 80 -9.621 13.380 -2.541 1.00 33.04 O ATOM 1324 CB VAL A 80 -7.289 11.168 -2.345 1.00 52.21 C ATOM 1325 CG1 VAL A 80 -8.515 10.737 -1.545 1.00 12.24 C ATOM 1326 CG2 VAL A 80 -7.182 10.365 -3.633 1.00 63.32 C ATOM 0 H VAL A 80 -7.184 12.885 -0.538 1.00 71.21 H new ATOM 0 HA VAL A 80 -6.519 12.947 -3.340 1.00 72.23 H new ATOM 0 HB VAL A 80 -6.403 10.961 -1.745 1.00 52.21 H new ATOM 0 HG11 VAL A 80 -8.473 9.663 -1.366 1.00 12.24 H new ATOM 0 HG12 VAL A 80 -8.530 11.263 -0.591 1.00 12.24 H new ATOM 0 HG13 VAL A 80 -9.418 10.977 -2.106 1.00 12.24 H new ATOM 0 HG21 VAL A 80 -7.175 9.301 -3.399 1.00 63.32 H new ATOM 0 HG22 VAL A 80 -8.035 10.590 -4.274 1.00 63.32 H new ATOM 0 HG23 VAL A 80 -6.260 10.629 -4.151 1.00 63.32 H new ATOM 1336 N ASN A 81 -8.719 13.164 -4.588 1.00 32.43 N ATOM 1337 CA ASN A 81 -9.981 13.482 -5.284 1.00 51.45 C ATOM 1338 C ASN A 81 -10.390 12.382 -6.283 1.00 22.53 C ATOM 1339 O ASN A 81 -9.660 11.414 -6.483 1.00 74.43 O ATOM 1340 CB ASN A 81 -9.896 14.856 -5.974 1.00 51.05 C ATOM 1341 CG ASN A 81 -8.683 15.044 -6.879 1.00 64.33 C ATOM 1342 OD1 ASN A 81 -8.182 16.154 -7.022 1.00 33.24 O ATOM 1343 ND2 ASN A 81 -8.206 13.991 -7.515 1.00 15.20 N ATOM 0 H ASN A 81 -7.925 12.997 -5.206 1.00 32.43 H new ATOM 0 HA ASN A 81 -10.763 13.527 -4.526 1.00 51.45 H new ATOM 0 HB2 ASN A 81 -10.799 15.006 -6.565 1.00 51.05 H new ATOM 0 HB3 ASN A 81 -9.884 15.631 -5.208 1.00 51.05 H new ATOM 0 HD21 ASN A 81 -7.406 14.092 -8.140 1.00 15.20 H new ATOM 0 HD22 ASN A 81 -8.637 13.076 -7.382 1.00 15.20 H new ATOM 1350 N LYS A 82 -11.553 12.560 -6.918 1.00 23.44 N ATOM 1351 CA LYS A 82 -12.128 11.560 -7.845 1.00 53.11 C ATOM 1352 C LYS A 82 -11.110 11.024 -8.867 1.00 40.43 C ATOM 1353 O LYS A 82 -11.137 9.845 -9.222 1.00 43.01 O ATOM 1354 CB LYS A 82 -13.325 12.176 -8.588 1.00 55.45 C ATOM 1355 CG LYS A 82 -14.542 12.427 -7.700 1.00 43.04 C ATOM 1356 CD LYS A 82 -15.337 11.149 -7.427 1.00 61.45 C ATOM 1357 CE LYS A 82 -16.419 10.905 -8.477 1.00 40.33 C ATOM 1358 NZ LYS A 82 -15.891 10.906 -9.865 1.00 15.12 N ATOM 0 H LYS A 82 -12.127 13.396 -6.809 1.00 23.44 H new ATOM 0 HA LYS A 82 -12.444 10.712 -7.238 1.00 53.11 H new ATOM 0 HB2 LYS A 82 -13.015 13.119 -9.037 1.00 55.45 H new ATOM 0 HB3 LYS A 82 -13.613 11.514 -9.404 1.00 55.45 H new ATOM 0 HG2 LYS A 82 -14.215 12.858 -6.754 1.00 43.04 H new ATOM 0 HG3 LYS A 82 -15.191 13.161 -8.177 1.00 43.04 H new ATOM 0 HD2 LYS A 82 -14.656 10.298 -7.405 1.00 61.45 H new ATOM 0 HD3 LYS A 82 -15.798 11.214 -6.441 1.00 61.45 H new ATOM 0 HE2 LYS A 82 -16.901 9.948 -8.278 1.00 40.33 H new ATOM 0 HE3 LYS A 82 -17.186 11.674 -8.385 1.00 40.33 H new ATOM 0 HZ1 LYS A 82 -16.634 10.587 -10.519 1.00 15.12 H new ATOM 0 HZ2 LYS A 82 -15.593 11.869 -10.122 1.00 15.12 H new ATOM 0 HZ3 LYS A 82 -15.076 10.263 -9.927 1.00 15.12 H new ATOM 1372 N LYS A 83 -10.222 11.896 -9.334 1.00 44.15 N ATOM 1373 CA LYS A 83 -9.233 11.533 -10.361 1.00 65.04 C ATOM 1374 C LYS A 83 -8.209 10.493 -9.867 1.00 0.32 C ATOM 1375 O LYS A 83 -7.627 9.762 -10.667 1.00 31.31 O ATOM 1376 CB LYS A 83 -8.495 12.793 -10.838 1.00 2.53 C ATOM 1377 CG LYS A 83 -9.408 13.859 -11.442 1.00 41.35 C ATOM 1378 CD LYS A 83 -10.164 13.343 -12.667 1.00 42.44 C ATOM 1379 CE LYS A 83 -9.218 12.916 -13.787 1.00 74.12 C ATOM 1380 NZ LYS A 83 -9.947 12.353 -14.956 1.00 32.34 N ATOM 0 H LYS A 83 -10.162 12.865 -9.020 1.00 44.15 H new ATOM 0 HA LYS A 83 -9.783 11.077 -11.184 1.00 65.04 H new ATOM 0 HB2 LYS A 83 -7.956 13.226 -9.995 1.00 2.53 H new ATOM 0 HB3 LYS A 83 -7.750 12.506 -11.579 1.00 2.53 H new ATOM 0 HG2 LYS A 83 -10.123 14.192 -10.689 1.00 41.35 H new ATOM 0 HG3 LYS A 83 -8.813 14.728 -11.723 1.00 41.35 H new ATOM 0 HD2 LYS A 83 -10.788 12.497 -12.378 1.00 42.44 H new ATOM 0 HD3 LYS A 83 -10.832 14.122 -13.035 1.00 42.44 H new ATOM 0 HE2 LYS A 83 -8.628 13.774 -14.108 1.00 74.12 H new ATOM 0 HE3 LYS A 83 -8.518 12.173 -13.405 1.00 74.12 H new ATOM 0 HZ1 LYS A 83 -9.265 12.077 -15.691 1.00 32.34 H new ATOM 0 HZ2 LYS A 83 -10.490 11.518 -14.657 1.00 32.34 H new ATOM 0 HZ3 LYS A 83 -10.596 13.070 -15.338 1.00 32.34 H new ATOM 1394 N ASP A 84 -8.003 10.415 -8.554 1.00 54.14 N ATOM 1395 CA ASP A 84 -6.933 9.582 -7.985 1.00 5.31 C ATOM 1396 C ASP A 84 -7.406 8.178 -7.574 1.00 63.24 C ATOM 1397 O ASP A 84 -6.601 7.369 -7.106 1.00 34.53 O ATOM 1398 CB ASP A 84 -6.312 10.270 -6.770 1.00 24.43 C ATOM 1399 CG ASP A 84 -5.800 11.658 -7.080 1.00 10.01 C ATOM 1400 OD1 ASP A 84 -4.972 11.802 -7.999 1.00 74.41 O ATOM 1401 OD2 ASP A 84 -6.226 12.617 -6.403 1.00 74.35 O ATOM 0 H ASP A 84 -8.559 10.916 -7.861 1.00 54.14 H new ATOM 0 HA ASP A 84 -6.195 9.461 -8.778 1.00 5.31 H new ATOM 0 HB2 ASP A 84 -7.054 10.331 -5.974 1.00 24.43 H new ATOM 0 HB3 ASP A 84 -5.490 9.660 -6.394 1.00 24.43 H new ATOM 1406 N ALA A 85 -8.686 7.865 -7.760 1.00 22.21 N ATOM 1407 CA ALA A 85 -9.202 6.556 -7.335 1.00 20.54 C ATOM 1408 C ALA A 85 -8.847 5.467 -8.359 1.00 42.14 C ATOM 1409 O ALA A 85 -8.829 5.718 -9.568 1.00 74.20 O ATOM 1410 CB ALA A 85 -10.713 6.626 -7.142 1.00 21.10 C ATOM 0 H ALA A 85 -9.375 8.480 -8.192 1.00 22.21 H new ATOM 0 HA ALA A 85 -8.734 6.295 -6.386 1.00 20.54 H new ATOM 0 HB1 ALA A 85 -11.085 5.651 -6.827 1.00 21.10 H new ATOM 0 HB2 ALA A 85 -10.948 7.368 -6.379 1.00 21.10 H new ATOM 0 HB3 ALA A 85 -11.187 6.909 -8.082 1.00 21.10 H new ATOM 1416 N GLY A 86 -8.560 4.258 -7.873 1.00 32.22 N ATOM 1417 CA GLY A 86 -8.112 3.188 -8.756 1.00 61.51 C ATOM 1418 C GLY A 86 -7.796 1.880 -8.035 1.00 25.24 C ATOM 1419 O GLY A 86 -8.056 1.734 -6.837 1.00 30.41 O ATOM 0 H GLY A 86 -8.629 4.001 -6.888 1.00 32.22 H new ATOM 0 HA2 GLY A 86 -8.882 3.002 -9.504 1.00 61.51 H new ATOM 0 HA3 GLY A 86 -7.222 3.521 -9.291 1.00 61.51 H new ATOM 1423 N TRP A 87 -7.225 0.932 -8.773 1.00 63.13 N ATOM 1424 CA TRP A 87 -6.756 -0.334 -8.203 1.00 43.11 C ATOM 1425 C TRP A 87 -5.249 -0.285 -7.916 1.00 54.53 C ATOM 1426 O TRP A 87 -4.433 -0.085 -8.822 1.00 53.53 O ATOM 1427 CB TRP A 87 -7.067 -1.504 -9.148 1.00 32.14 C ATOM 1428 CG TRP A 87 -8.473 -2.017 -9.026 1.00 42.32 C ATOM 1429 CD1 TRP A 87 -9.572 -1.603 -9.724 1.00 72.42 C ATOM 1430 CD2 TRP A 87 -8.923 -3.052 -8.141 1.00 2.42 C ATOM 1431 NE1 TRP A 87 -10.676 -2.317 -9.325 1.00 23.01 N ATOM 1432 CE2 TRP A 87 -10.302 -3.212 -8.356 1.00 74.14 C ATOM 1433 CE3 TRP A 87 -8.290 -3.857 -7.186 1.00 3.13 C ATOM 1434 CZ2 TRP A 87 -11.061 -4.146 -7.655 1.00 30.22 C ATOM 1435 CZ3 TRP A 87 -9.043 -4.785 -6.491 1.00 21.31 C ATOM 1436 CH2 TRP A 87 -10.417 -4.922 -6.727 1.00 3.24 C ATOM 0 H TRP A 87 -7.073 1.016 -9.778 1.00 63.13 H new ATOM 0 HA TRP A 87 -7.285 -0.488 -7.262 1.00 43.11 H new ATOM 0 HB2 TRP A 87 -6.893 -1.186 -10.176 1.00 32.14 H new ATOM 0 HB3 TRP A 87 -6.373 -2.319 -8.944 1.00 32.14 H new ATOM 0 HD1 TRP A 87 -9.573 -0.829 -10.478 1.00 72.42 H new ATOM 0 HE1 TRP A 87 -11.621 -2.200 -9.691 1.00 23.01 H new ATOM 0 HE3 TRP A 87 -7.232 -3.755 -6.996 1.00 3.13 H new ATOM 0 HZ2 TRP A 87 -12.120 -4.255 -7.836 1.00 30.22 H new ATOM 0 HZ3 TRP A 87 -8.565 -5.414 -5.755 1.00 21.31 H new ATOM 0 HH2 TRP A 87 -10.980 -5.654 -6.167 1.00 3.24 H new ATOM 1447 N TYR A 88 -4.887 -0.465 -6.651 1.00 22.32 N ATOM 1448 CA TYR A 88 -3.486 -0.482 -6.233 1.00 64.20 C ATOM 1449 C TYR A 88 -2.935 -1.915 -6.170 1.00 20.11 C ATOM 1450 O TYR A 88 -3.676 -2.877 -5.972 1.00 42.21 O ATOM 1451 CB TYR A 88 -3.321 0.213 -4.870 1.00 12.21 C ATOM 1452 CG TYR A 88 -3.524 1.717 -4.919 1.00 32.35 C ATOM 1453 CD1 TYR A 88 -4.790 2.266 -5.090 1.00 52.25 C ATOM 1454 CD2 TYR A 88 -2.445 2.586 -4.800 1.00 65.43 C ATOM 1455 CE1 TYR A 88 -4.974 3.635 -5.142 1.00 14.23 C ATOM 1456 CE2 TYR A 88 -2.621 3.957 -4.847 1.00 22.52 C ATOM 1457 CZ TYR A 88 -3.887 4.477 -5.020 1.00 75.41 C ATOM 1458 OH TYR A 88 -4.065 5.844 -5.073 1.00 20.21 O ATOM 0 H TYR A 88 -5.550 -0.603 -5.888 1.00 22.32 H new ATOM 0 HA TYR A 88 -2.912 0.065 -6.980 1.00 64.20 H new ATOM 0 HB2 TYR A 88 -4.032 -0.217 -4.165 1.00 12.21 H new ATOM 0 HB3 TYR A 88 -2.323 0.003 -4.484 1.00 12.21 H new ATOM 0 HD1 TYR A 88 -5.644 1.612 -5.184 1.00 52.25 H new ATOM 0 HD2 TYR A 88 -1.452 2.183 -4.669 1.00 65.43 H new ATOM 0 HE1 TYR A 88 -5.964 4.044 -5.278 1.00 14.23 H new ATOM 0 HE2 TYR A 88 -1.772 4.617 -4.749 1.00 22.52 H new ATOM 0 HH TYR A 88 -3.199 6.291 -4.970 1.00 20.21 H new ATOM 1468 N THR A 89 -1.629 -2.045 -6.362 1.00 31.10 N ATOM 1469 CA THR A 89 -0.946 -3.345 -6.313 1.00 25.34 C ATOM 1470 C THR A 89 0.319 -3.262 -5.451 1.00 14.34 C ATOM 1471 O THR A 89 1.233 -2.497 -5.759 1.00 44.34 O ATOM 1472 CB THR A 89 -0.548 -3.833 -7.733 1.00 11.31 C ATOM 1473 OG1 THR A 89 -1.707 -3.927 -8.578 1.00 61.05 O ATOM 1474 CG2 THR A 89 0.148 -5.190 -7.683 1.00 74.31 C ATOM 0 H THR A 89 -1.009 -1.259 -6.556 1.00 31.10 H new ATOM 0 HA THR A 89 -1.647 -4.055 -5.875 1.00 25.34 H new ATOM 0 HB THR A 89 0.146 -3.100 -8.144 1.00 11.31 H new ATOM 0 HG1 THR A 89 -1.722 -4.803 -9.016 1.00 61.05 H new ATOM 0 HG21 THR A 89 0.412 -5.501 -8.694 1.00 74.31 H new ATOM 0 HG22 THR A 89 1.052 -5.113 -7.079 1.00 74.31 H new ATOM 0 HG23 THR A 89 -0.523 -5.927 -7.241 1.00 74.31 H new ATOM 1482 N VAL A 90 0.371 -4.043 -4.376 1.00 33.11 N ATOM 1483 CA VAL A 90 1.534 -4.045 -3.484 1.00 41.00 C ATOM 1484 C VAL A 90 2.431 -5.268 -3.729 1.00 54.03 C ATOM 1485 O VAL A 90 1.978 -6.414 -3.682 1.00 34.45 O ATOM 1486 CB VAL A 90 1.113 -3.988 -1.990 1.00 13.41 C ATOM 1487 CG1 VAL A 90 0.178 -5.142 -1.629 1.00 54.21 C ATOM 1488 CG2 VAL A 90 2.345 -3.977 -1.080 1.00 72.32 C ATOM 0 H VAL A 90 -0.374 -4.682 -4.099 1.00 33.11 H new ATOM 0 HA VAL A 90 2.105 -3.145 -3.714 1.00 41.00 H new ATOM 0 HB VAL A 90 0.564 -3.059 -1.834 1.00 13.41 H new ATOM 0 HG11 VAL A 90 -0.097 -5.072 -0.577 1.00 54.21 H new ATOM 0 HG12 VAL A 90 -0.721 -5.088 -2.243 1.00 54.21 H new ATOM 0 HG13 VAL A 90 0.684 -6.090 -1.809 1.00 54.21 H new ATOM 0 HG21 VAL A 90 2.027 -3.937 -0.038 1.00 72.32 H new ATOM 0 HG22 VAL A 90 2.929 -4.882 -1.247 1.00 72.32 H new ATOM 0 HG23 VAL A 90 2.957 -3.104 -1.307 1.00 72.32 H new ATOM 1498 N SER A 91 3.703 -5.009 -4.009 1.00 20.34 N ATOM 1499 CA SER A 91 4.688 -6.073 -4.227 1.00 41.23 C ATOM 1500 C SER A 91 5.834 -5.982 -3.217 1.00 73.11 C ATOM 1501 O SER A 91 6.551 -4.982 -3.165 1.00 13.15 O ATOM 1502 CB SER A 91 5.256 -6.006 -5.650 1.00 12.01 C ATOM 1503 OG SER A 91 4.276 -6.341 -6.624 1.00 42.14 O ATOM 0 H SER A 91 4.083 -4.066 -4.092 1.00 20.34 H new ATOM 0 HA SER A 91 4.174 -7.025 -4.090 1.00 41.23 H new ATOM 0 HB2 SER A 91 5.634 -5.002 -5.844 1.00 12.01 H new ATOM 0 HB3 SER A 91 6.103 -6.687 -5.736 1.00 12.01 H new ATOM 0 HG SER A 91 4.121 -7.309 -6.613 1.00 42.14 H new ATOM 1509 N ALA A 92 5.997 -7.027 -2.413 1.00 75.21 N ATOM 1510 CA ALA A 92 7.095 -7.100 -1.444 1.00 63.44 C ATOM 1511 C ALA A 92 8.151 -8.114 -1.901 1.00 42.54 C ATOM 1512 O ALA A 92 7.871 -9.312 -1.992 1.00 34.34 O ATOM 1513 CB ALA A 92 6.558 -7.472 -0.066 1.00 23.13 C ATOM 0 H ALA A 92 5.382 -7.841 -2.410 1.00 75.21 H new ATOM 0 HA ALA A 92 7.568 -6.120 -1.381 1.00 63.44 H new ATOM 0 HB1 ALA A 92 7.383 -7.523 0.644 1.00 23.13 H new ATOM 0 HB2 ALA A 92 5.843 -6.717 0.262 1.00 23.13 H new ATOM 0 HB3 ALA A 92 6.063 -8.442 -0.118 1.00 23.13 H new ATOM 1519 N VAL A 93 9.360 -7.640 -2.193 1.00 22.11 N ATOM 1520 CA VAL A 93 10.423 -8.515 -2.703 1.00 24.01 C ATOM 1521 C VAL A 93 11.590 -8.665 -1.710 1.00 51.24 C ATOM 1522 O VAL A 93 12.264 -7.692 -1.355 1.00 35.50 O ATOM 1523 CB VAL A 93 10.957 -8.020 -4.076 1.00 51.43 C ATOM 1524 CG1 VAL A 93 11.478 -6.587 -3.991 1.00 23.42 C ATOM 1525 CG2 VAL A 93 12.036 -8.960 -4.611 1.00 3.54 C ATOM 0 H VAL A 93 9.631 -6.662 -2.088 1.00 22.11 H new ATOM 0 HA VAL A 93 9.969 -9.497 -2.834 1.00 24.01 H new ATOM 0 HB VAL A 93 10.121 -8.025 -4.775 1.00 51.43 H new ATOM 0 HG11 VAL A 93 11.843 -6.274 -4.969 1.00 23.42 H new ATOM 0 HG12 VAL A 93 10.672 -5.925 -3.676 1.00 23.42 H new ATOM 0 HG13 VAL A 93 12.291 -6.538 -3.267 1.00 23.42 H new ATOM 0 HG21 VAL A 93 12.394 -8.593 -5.573 1.00 3.54 H new ATOM 0 HG22 VAL A 93 12.866 -9.000 -3.906 1.00 3.54 H new ATOM 0 HG23 VAL A 93 11.619 -9.959 -4.737 1.00 3.54 H new ATOM 1535 N ASN A 94 11.784 -9.891 -1.230 1.00 25.33 N ATOM 1536 CA ASN A 94 12.942 -10.257 -0.402 1.00 4.32 C ATOM 1537 C ASN A 94 13.848 -11.225 -1.185 1.00 1.03 C ATOM 1538 O ASN A 94 13.376 -11.908 -2.094 1.00 4.53 O ATOM 1539 CB ASN A 94 12.459 -10.904 0.908 1.00 72.11 C ATOM 1540 CG ASN A 94 13.596 -11.285 1.838 1.00 50.25 C ATOM 1541 OD1 ASN A 94 14.654 -10.671 1.829 1.00 52.44 O ATOM 1542 ND2 ASN A 94 13.389 -12.303 2.651 1.00 50.04 N ATOM 0 H ASN A 94 11.143 -10.665 -1.402 1.00 25.33 H new ATOM 0 HA ASN A 94 13.515 -9.363 -0.156 1.00 4.32 H new ATOM 0 HB2 ASN A 94 11.792 -10.213 1.423 1.00 72.11 H new ATOM 0 HB3 ASN A 94 11.876 -11.794 0.673 1.00 72.11 H new ATOM 0 HD21 ASN A 94 14.122 -12.598 3.296 1.00 50.04 H new ATOM 0 HD22 ASN A 94 12.496 -12.795 2.635 1.00 50.04 H new ATOM 1549 N GLU A 95 15.137 -11.307 -0.840 1.00 31.24 N ATOM 1550 CA GLU A 95 16.056 -12.216 -1.549 1.00 54.23 C ATOM 1551 C GLU A 95 15.562 -13.675 -1.489 1.00 13.44 C ATOM 1552 O GLU A 95 15.847 -14.476 -2.381 1.00 4.41 O ATOM 1553 CB GLU A 95 17.482 -12.120 -0.984 1.00 32.52 C ATOM 1554 CG GLU A 95 17.631 -12.621 0.452 1.00 35.23 C ATOM 1555 CD GLU A 95 19.087 -12.682 0.898 1.00 53.23 C ATOM 1556 OE1 GLU A 95 19.653 -11.626 1.246 1.00 51.45 O ATOM 1557 OE2 GLU A 95 19.673 -13.787 0.893 1.00 21.13 O ATOM 0 H GLU A 95 15.566 -10.767 -0.088 1.00 31.24 H new ATOM 0 HA GLU A 95 16.075 -11.902 -2.592 1.00 54.23 H new ATOM 0 HB2 GLU A 95 18.153 -12.691 -1.626 1.00 32.52 H new ATOM 0 HB3 GLU A 95 17.807 -11.081 -1.028 1.00 32.52 H new ATOM 0 HG2 GLU A 95 17.076 -11.965 1.122 1.00 35.23 H new ATOM 0 HG3 GLU A 95 17.186 -13.613 0.536 1.00 35.23 H new ATOM 1564 N ALA A 96 14.826 -14.010 -0.430 1.00 11.24 N ATOM 1565 CA ALA A 96 14.244 -15.350 -0.270 1.00 50.21 C ATOM 1566 C ALA A 96 13.085 -15.608 -1.251 1.00 74.44 C ATOM 1567 O ALA A 96 12.861 -16.742 -1.674 1.00 15.34 O ATOM 1568 CB ALA A 96 13.766 -15.537 1.164 1.00 73.45 C ATOM 0 H ALA A 96 14.615 -13.370 0.336 1.00 11.24 H new ATOM 0 HA ALA A 96 15.026 -16.075 -0.498 1.00 50.21 H new ATOM 0 HB1 ALA A 96 13.335 -16.532 1.277 1.00 73.45 H new ATOM 0 HB2 ALA A 96 14.609 -15.427 1.846 1.00 73.45 H new ATOM 0 HB3 ALA A 96 13.011 -14.786 1.397 1.00 73.45 H new ATOM 1574 N GLY A 97 12.352 -14.549 -1.601 1.00 24.11 N ATOM 1575 CA GLY A 97 11.189 -14.685 -2.478 1.00 62.23 C ATOM 1576 C GLY A 97 10.352 -13.409 -2.558 1.00 72.14 C ATOM 1577 O GLY A 97 10.632 -12.428 -1.865 1.00 51.42 O ATOM 0 H GLY A 97 12.542 -13.595 -1.293 1.00 24.11 H new ATOM 0 HA2 GLY A 97 11.525 -14.957 -3.479 1.00 62.23 H new ATOM 0 HA3 GLY A 97 10.563 -15.502 -2.119 1.00 62.23 H new ATOM 1581 N VAL A 98 9.313 -13.422 -3.392 1.00 52.43 N ATOM 1582 CA VAL A 98 8.470 -12.236 -3.605 1.00 43.30 C ATOM 1583 C VAL A 98 6.971 -12.560 -3.458 1.00 71.04 C ATOM 1584 O VAL A 98 6.544 -13.695 -3.676 1.00 21.32 O ATOM 1585 CB VAL A 98 8.734 -11.621 -5.009 1.00 64.04 C ATOM 1586 CG1 VAL A 98 8.387 -12.611 -6.123 1.00 52.35 C ATOM 1587 CG2 VAL A 98 7.974 -10.305 -5.190 1.00 32.31 C ATOM 0 H VAL A 98 9.031 -14.239 -3.934 1.00 52.43 H new ATOM 0 HA VAL A 98 8.738 -11.513 -2.834 1.00 43.30 H new ATOM 0 HB VAL A 98 9.800 -11.403 -5.076 1.00 64.04 H new ATOM 0 HG11 VAL A 98 8.582 -12.152 -7.092 1.00 52.35 H new ATOM 0 HG12 VAL A 98 8.998 -13.507 -6.017 1.00 52.35 H new ATOM 0 HG13 VAL A 98 7.333 -12.880 -6.055 1.00 52.35 H new ATOM 0 HG21 VAL A 98 8.179 -9.900 -6.181 1.00 32.31 H new ATOM 0 HG22 VAL A 98 6.904 -10.485 -5.086 1.00 32.31 H new ATOM 0 HG23 VAL A 98 8.297 -9.591 -4.432 1.00 32.31 H new ATOM 1597 N THR A 99 6.182 -11.559 -3.064 1.00 24.23 N ATOM 1598 CA THR A 99 4.721 -11.701 -2.964 1.00 10.43 C ATOM 1599 C THR A 99 4.015 -10.437 -3.473 1.00 42.53 C ATOM 1600 O THR A 99 4.505 -9.320 -3.285 1.00 64.52 O ATOM 1601 CB THR A 99 4.258 -11.997 -1.516 1.00 51.11 C ATOM 1602 OG1 THR A 99 2.855 -12.299 -1.498 1.00 0.23 O ATOM 1603 CG2 THR A 99 4.532 -10.814 -0.595 1.00 41.23 C ATOM 0 H THR A 99 6.529 -10.635 -2.807 1.00 24.23 H new ATOM 0 HA THR A 99 4.448 -12.552 -3.589 1.00 10.43 H new ATOM 0 HB THR A 99 4.824 -12.856 -1.155 1.00 51.11 H new ATOM 0 HG1 THR A 99 2.395 -11.681 -0.893 1.00 0.23 H new ATOM 0 HG21 THR A 99 4.196 -11.053 0.414 1.00 41.23 H new ATOM 0 HG22 THR A 99 5.601 -10.604 -0.581 1.00 41.23 H new ATOM 0 HG23 THR A 99 3.995 -9.938 -0.958 1.00 41.23 H new ATOM 1611 N THR A 100 2.873 -10.617 -4.133 1.00 42.25 N ATOM 1612 CA THR A 100 2.132 -9.496 -4.737 1.00 53.43 C ATOM 1613 C THR A 100 0.619 -9.603 -4.478 1.00 24.24 C ATOM 1614 O THR A 100 0.022 -10.669 -4.647 1.00 12.45 O ATOM 1615 CB THR A 100 2.374 -9.422 -6.268 1.00 24.55 C ATOM 1616 OG1 THR A 100 3.778 -9.281 -6.541 1.00 32.35 O ATOM 1617 CG2 THR A 100 1.620 -8.255 -6.895 1.00 55.34 C ATOM 0 H THR A 100 2.434 -11.528 -4.267 1.00 42.25 H new ATOM 0 HA THR A 100 2.508 -8.589 -4.264 1.00 53.43 H new ATOM 0 HB THR A 100 2.003 -10.349 -6.706 1.00 24.55 H new ATOM 0 HG1 THR A 100 3.920 -9.237 -7.510 1.00 32.35 H new ATOM 0 HG21 THR A 100 1.812 -8.232 -7.968 1.00 55.34 H new ATOM 0 HG22 THR A 100 0.551 -8.376 -6.720 1.00 55.34 H new ATOM 0 HG23 THR A 100 1.958 -7.321 -6.446 1.00 55.34 H new ATOM 1625 N CYS A 101 0.002 -8.491 -4.075 1.00 63.43 N ATOM 1626 CA CYS A 101 -1.447 -8.448 -3.815 1.00 14.33 C ATOM 1627 C CYS A 101 -2.096 -7.189 -4.410 1.00 64.30 C ATOM 1628 O CYS A 101 -1.407 -6.248 -4.810 1.00 55.44 O ATOM 1629 CB CYS A 101 -1.727 -8.507 -2.307 1.00 53.14 C ATOM 1630 SG CYS A 101 -3.486 -8.550 -1.889 1.00 64.21 S ATOM 0 H CYS A 101 0.480 -7.604 -3.920 1.00 63.43 H new ATOM 0 HA CYS A 101 -1.886 -9.320 -4.300 1.00 14.33 H new ATOM 0 HB2 CYS A 101 -1.243 -9.391 -1.892 1.00 53.14 H new ATOM 0 HB3 CYS A 101 -1.271 -7.640 -1.829 1.00 53.14 H new ATOM 0 HG CYS A 101 -4.110 -9.333 -2.718 1.00 64.21 H new ATOM 1636 N ASN A 102 -3.427 -7.178 -4.456 1.00 12.31 N ATOM 1637 CA ASN A 102 -4.187 -6.060 -5.034 1.00 14.15 C ATOM 1638 C ASN A 102 -5.138 -5.433 -4.001 1.00 23.14 C ATOM 1639 O ASN A 102 -5.738 -6.132 -3.181 1.00 41.15 O ATOM 1640 CB ASN A 102 -4.977 -6.544 -6.256 1.00 62.25 C ATOM 1641 CG ASN A 102 -4.070 -6.930 -7.411 1.00 50.35 C ATOM 1642 OD1 ASN A 102 -3.566 -8.048 -7.480 1.00 0.24 O ATOM 1643 ND2 ASN A 102 -3.873 -6.021 -8.342 1.00 73.13 N ATOM 0 H ASN A 102 -4.009 -7.935 -4.098 1.00 12.31 H new ATOM 0 HA ASN A 102 -3.478 -5.292 -5.342 1.00 14.15 H new ATOM 0 HB2 ASN A 102 -5.588 -7.401 -5.975 1.00 62.25 H new ATOM 0 HB3 ASN A 102 -5.660 -5.758 -6.580 1.00 62.25 H new ATOM 0 HD21 ASN A 102 -3.288 -6.236 -9.149 1.00 73.13 H new ATOM 0 HD22 ASN A 102 -4.305 -5.101 -8.256 1.00 73.13 H new ATOM 1650 N THR A 103 -5.275 -4.109 -4.051 1.00 73.24 N ATOM 1651 CA THR A 103 -6.117 -3.371 -3.099 1.00 24.34 C ATOM 1652 C THR A 103 -6.836 -2.204 -3.788 1.00 44.33 C ATOM 1653 O THR A 103 -6.202 -1.354 -4.407 1.00 44.31 O ATOM 1654 CB THR A 103 -5.278 -2.816 -1.921 1.00 70.24 C ATOM 1655 OG1 THR A 103 -4.483 -3.864 -1.346 1.00 12.44 O ATOM 1656 CG2 THR A 103 -6.169 -2.212 -0.839 1.00 32.15 C ATOM 0 H THR A 103 -4.813 -3.519 -4.743 1.00 73.24 H new ATOM 0 HA THR A 103 -6.855 -4.075 -2.715 1.00 24.34 H new ATOM 0 HB THR A 103 -4.631 -2.032 -2.316 1.00 70.24 H new ATOM 0 HG1 THR A 103 -3.931 -3.497 -0.624 1.00 12.44 H new ATOM 0 HG21 THR A 103 -5.549 -1.832 -0.027 1.00 32.15 H new ATOM 0 HG22 THR A 103 -6.753 -1.395 -1.263 1.00 32.15 H new ATOM 0 HG23 THR A 103 -6.843 -2.977 -0.453 1.00 32.15 H new ATOM 1664 N ARG A 104 -8.161 -2.162 -3.670 1.00 43.54 N ATOM 1665 CA ARG A 104 -8.969 -1.133 -4.342 1.00 50.54 C ATOM 1666 C ARG A 104 -9.170 0.115 -3.458 1.00 15.14 C ATOM 1667 O ARG A 104 -9.347 0.010 -2.243 1.00 0.44 O ATOM 1668 CB ARG A 104 -10.330 -1.726 -4.736 1.00 0.13 C ATOM 1669 CG ARG A 104 -11.283 -0.725 -5.379 1.00 71.51 C ATOM 1670 CD ARG A 104 -12.596 -1.374 -5.810 1.00 64.23 C ATOM 1671 NE ARG A 104 -13.557 -0.376 -6.269 1.00 24.42 N ATOM 1672 CZ ARG A 104 -14.638 -0.643 -6.946 1.00 21.44 C ATOM 1673 NH1 ARG A 104 -14.928 -1.854 -7.289 1.00 75.32 N ATOM 1674 NH2 ARG A 104 -15.435 0.317 -7.273 1.00 51.21 N ATOM 0 H ARG A 104 -8.703 -2.826 -3.117 1.00 43.54 H new ATOM 0 HA ARG A 104 -8.430 -0.814 -5.234 1.00 50.54 H new ATOM 0 HB2 ARG A 104 -10.167 -2.552 -5.428 1.00 0.13 H new ATOM 0 HB3 ARG A 104 -10.804 -2.143 -3.847 1.00 0.13 H new ATOM 0 HG2 ARG A 104 -11.492 0.080 -4.674 1.00 71.51 H new ATOM 0 HG3 ARG A 104 -10.801 -0.273 -6.246 1.00 71.51 H new ATOM 0 HD2 ARG A 104 -12.404 -2.091 -6.608 1.00 64.23 H new ATOM 0 HD3 ARG A 104 -13.019 -1.932 -4.975 1.00 64.23 H new ATOM 0 HE ARG A 104 -13.369 0.601 -6.044 1.00 24.42 H new ATOM 0 HH11 ARG A 104 -14.306 -2.620 -7.030 1.00 75.32 H new ATOM 0 HH12 ARG A 104 -15.779 -2.044 -7.819 1.00 75.32 H new ATOM 0 HH21 ARG A 104 -15.217 1.276 -7.002 1.00 51.21 H new ATOM 0 HH22 ARG A 104 -16.283 0.117 -7.803 1.00 51.21 H new ATOM 1688 N LEU A 105 -9.139 1.293 -4.084 1.00 10.15 N ATOM 1689 CA LEU A 105 -9.400 2.559 -3.387 1.00 21.44 C ATOM 1690 C LEU A 105 -10.380 3.433 -4.185 1.00 42.53 C ATOM 1691 O LEU A 105 -10.122 3.779 -5.340 1.00 64.14 O ATOM 1692 CB LEU A 105 -8.092 3.332 -3.162 1.00 44.54 C ATOM 1693 CG LEU A 105 -8.247 4.695 -2.460 1.00 53.23 C ATOM 1694 CD1 LEU A 105 -8.753 4.515 -1.030 1.00 21.04 C ATOM 1695 CD2 LEU A 105 -6.930 5.468 -2.477 1.00 1.11 C ATOM 0 H LEU A 105 -8.935 1.399 -5.078 1.00 10.15 H new ATOM 0 HA LEU A 105 -9.846 2.320 -2.422 1.00 21.44 H new ATOM 0 HB2 LEU A 105 -7.419 2.711 -2.570 1.00 44.54 H new ATOM 0 HB3 LEU A 105 -7.612 3.491 -4.128 1.00 44.54 H new ATOM 0 HG LEU A 105 -8.987 5.276 -3.010 1.00 53.23 H new ATOM 0 HD11 LEU A 105 -8.855 5.491 -0.554 1.00 21.04 H new ATOM 0 HD12 LEU A 105 -9.722 4.017 -1.047 1.00 21.04 H new ATOM 0 HD13 LEU A 105 -8.044 3.909 -0.467 1.00 21.04 H new ATOM 0 HD21 LEU A 105 -7.064 6.427 -1.976 1.00 1.11 H new ATOM 0 HD22 LEU A 105 -6.163 4.892 -1.959 1.00 1.11 H new ATOM 0 HD23 LEU A 105 -6.621 5.638 -3.508 1.00 1.11 H new ATOM 1707 N ASP A 106 -11.498 3.794 -3.555 1.00 73.11 N ATOM 1708 CA ASP A 106 -12.537 4.602 -4.202 1.00 22.02 C ATOM 1709 C ASP A 106 -12.635 6.012 -3.599 1.00 35.41 C ATOM 1710 O ASP A 106 -12.438 6.211 -2.398 1.00 64.43 O ATOM 1711 CB ASP A 106 -13.893 3.908 -4.064 1.00 43.30 C ATOM 1712 CG ASP A 106 -13.972 2.611 -4.843 1.00 61.31 C ATOM 1713 OD1 ASP A 106 -13.471 1.589 -4.343 1.00 23.42 O ATOM 1714 OD2 ASP A 106 -14.553 2.606 -5.951 1.00 21.44 O ATOM 0 H ASP A 106 -11.710 3.538 -2.591 1.00 73.11 H new ATOM 0 HA ASP A 106 -12.262 4.701 -5.252 1.00 22.02 H new ATOM 0 HB2 ASP A 106 -14.087 3.706 -3.011 1.00 43.30 H new ATOM 0 HB3 ASP A 106 -14.677 4.582 -4.409 1.00 43.30 H new ATOM 1719 N VAL A 107 -12.959 6.984 -4.447 1.00 33.24 N ATOM 1720 CA VAL A 107 -13.211 8.357 -4.003 1.00 41.21 C ATOM 1721 C VAL A 107 -14.574 8.850 -4.518 1.00 43.24 C ATOM 1722 O VAL A 107 -15.018 8.469 -5.605 1.00 32.30 O ATOM 1723 CB VAL A 107 -12.099 9.332 -4.473 1.00 11.25 C ATOM 1724 CG1 VAL A 107 -12.328 10.736 -3.910 1.00 64.25 C ATOM 1725 CG2 VAL A 107 -10.715 8.814 -4.081 1.00 70.32 C ATOM 0 H VAL A 107 -13.054 6.847 -5.453 1.00 33.24 H new ATOM 0 HA VAL A 107 -13.214 8.344 -2.913 1.00 41.21 H new ATOM 0 HB VAL A 107 -12.145 9.390 -5.560 1.00 11.25 H new ATOM 0 HG11 VAL A 107 -11.535 11.400 -4.254 1.00 64.25 H new ATOM 0 HG12 VAL A 107 -13.291 11.113 -4.253 1.00 64.25 H new ATOM 0 HG13 VAL A 107 -12.321 10.697 -2.821 1.00 64.25 H new ATOM 0 HG21 VAL A 107 -9.954 9.516 -4.422 1.00 70.32 H new ATOM 0 HG22 VAL A 107 -10.657 8.715 -2.997 1.00 70.32 H new ATOM 0 HG23 VAL A 107 -10.546 7.842 -4.544 1.00 70.32 H new ATOM 1735 N THR A 108 -15.235 9.688 -3.731 1.00 2.40 N ATOM 1736 CA THR A 108 -16.549 10.234 -4.090 1.00 22.44 C ATOM 1737 C THR A 108 -16.542 11.764 -3.978 1.00 10.11 C ATOM 1738 O THR A 108 -15.852 12.333 -3.131 1.00 71.10 O ATOM 1739 CB THR A 108 -17.670 9.642 -3.197 1.00 3.03 C ATOM 1740 OG1 THR A 108 -17.660 8.208 -3.294 1.00 70.42 O ATOM 1741 CG2 THR A 108 -19.047 10.163 -3.599 1.00 12.12 C ATOM 0 H THR A 108 -14.883 10.011 -2.830 1.00 2.40 H new ATOM 0 HA THR A 108 -16.754 9.953 -5.123 1.00 22.44 H new ATOM 0 HB THR A 108 -17.475 9.953 -2.171 1.00 3.03 H new ATOM 0 HG1 THR A 108 -18.368 7.837 -2.727 1.00 70.42 H new ATOM 0 HG21 THR A 108 -19.805 9.725 -2.950 1.00 12.12 H new ATOM 0 HG22 THR A 108 -19.068 11.248 -3.501 1.00 12.12 H new ATOM 0 HG23 THR A 108 -19.252 9.888 -4.634 1.00 12.12 H new ATOM 1749 N ALA A 109 -17.309 12.429 -4.835 1.00 72.24 N ATOM 1750 CA ALA A 109 -17.279 13.892 -4.920 1.00 41.23 C ATOM 1751 C ALA A 109 -18.012 14.566 -3.750 1.00 13.42 C ATOM 1752 O ALA A 109 -19.061 14.094 -3.301 1.00 54.30 O ATOM 1753 CB ALA A 109 -17.876 14.346 -6.250 1.00 43.35 C ATOM 0 H ALA A 109 -17.960 11.983 -5.482 1.00 72.24 H new ATOM 0 HA ALA A 109 -16.235 14.200 -4.859 1.00 41.23 H new ATOM 0 HB1 ALA A 109 -17.851 15.434 -6.307 1.00 43.35 H new ATOM 0 HB2 ALA A 109 -17.296 13.926 -7.072 1.00 43.35 H new ATOM 0 HB3 ALA A 109 -18.908 14.002 -6.322 1.00 43.35 H new ATOM 1759 N ARG A 110 -17.442 15.663 -3.244 1.00 72.31 N ATOM 1760 CA ARG A 110 -18.120 16.486 -2.240 1.00 65.33 C ATOM 1761 C ARG A 110 -19.166 17.390 -2.920 1.00 10.22 C ATOM 1762 O ARG A 110 -18.823 18.201 -3.783 1.00 5.44 O ATOM 1763 CB ARG A 110 -17.114 17.340 -1.446 1.00 50.33 C ATOM 1764 CG ARG A 110 -16.230 16.546 -0.483 1.00 20.24 C ATOM 1765 CD ARG A 110 -15.378 17.470 0.386 1.00 21.25 C ATOM 1766 NE ARG A 110 -14.563 16.737 1.360 1.00 22.13 N ATOM 1767 CZ ARG A 110 -13.762 17.304 2.227 1.00 13.44 C ATOM 1768 NH1 ARG A 110 -13.638 18.593 2.275 1.00 54.24 N ATOM 1769 NH2 ARG A 110 -13.075 16.578 3.042 1.00 34.33 N ATOM 0 H ARG A 110 -16.517 16.000 -3.512 1.00 72.31 H new ATOM 0 HA ARG A 110 -18.622 15.821 -1.538 1.00 65.33 H new ATOM 0 HB2 ARG A 110 -16.475 17.874 -2.149 1.00 50.33 H new ATOM 0 HB3 ARG A 110 -17.663 18.092 -0.879 1.00 50.33 H new ATOM 0 HG2 ARG A 110 -16.855 15.920 0.154 1.00 20.24 H new ATOM 0 HG3 ARG A 110 -15.582 15.878 -1.050 1.00 20.24 H new ATOM 0 HD2 ARG A 110 -14.726 18.064 -0.254 1.00 21.25 H new ATOM 0 HD3 ARG A 110 -16.028 18.167 0.914 1.00 21.25 H new ATOM 0 HE ARG A 110 -14.624 15.719 1.362 1.00 22.13 H new ATOM 0 HH11 ARG A 110 -14.168 19.181 1.632 1.00 54.24 H new ATOM 0 HH12 ARG A 110 -13.010 19.020 2.956 1.00 54.24 H new ATOM 0 HH21 ARG A 110 -13.155 15.562 3.011 1.00 34.33 H new ATOM 0 HH22 ARG A 110 -12.451 17.020 3.717 1.00 34.33 H new ATOM 1783 N PRO A 111 -20.453 17.271 -2.536 1.00 24.10 N ATOM 1784 CA PRO A 111 -21.552 17.989 -3.214 1.00 11.34 C ATOM 1785 C PRO A 111 -21.487 19.519 -3.028 1.00 35.21 C ATOM 1786 O PRO A 111 -21.926 20.283 -3.891 1.00 62.43 O ATOM 1787 CB PRO A 111 -22.814 17.410 -2.556 1.00 13.41 C ATOM 1788 CG PRO A 111 -22.359 16.922 -1.219 1.00 35.25 C ATOM 1789 CD PRO A 111 -20.942 16.446 -1.413 1.00 1.20 C ATOM 0 HA PRO A 111 -21.514 17.851 -4.295 1.00 11.34 H new ATOM 0 HB2 PRO A 111 -23.591 18.168 -2.457 1.00 13.41 H new ATOM 0 HB3 PRO A 111 -23.234 16.599 -3.151 1.00 13.41 H new ATOM 0 HG2 PRO A 111 -22.405 17.718 -0.476 1.00 35.25 H new ATOM 0 HG3 PRO A 111 -22.997 16.114 -0.860 1.00 35.25 H new ATOM 0 HD2 PRO A 111 -20.342 16.594 -0.515 1.00 1.20 H new ATOM 0 HD3 PRO A 111 -20.904 15.383 -1.650 1.00 1.20 H new ATOM 1797 N ASN A 112 -20.925 19.959 -1.904 1.00 35.52 N ATOM 1798 CA ASN A 112 -20.819 21.388 -1.593 1.00 14.32 C ATOM 1799 C ASN A 112 -19.402 21.724 -1.096 1.00 41.13 C ATOM 1800 O ASN A 112 -18.733 20.884 -0.488 1.00 55.32 O ATOM 1801 CB ASN A 112 -21.869 21.771 -0.537 1.00 2.32 C ATOM 1802 CG ASN A 112 -22.133 23.267 -0.478 1.00 11.22 C ATOM 1803 OD1 ASN A 112 -21.272 24.081 -0.781 1.00 22.33 O ATOM 1804 ND2 ASN A 112 -23.334 23.639 -0.088 1.00 34.14 N ATOM 0 H ASN A 112 -20.534 19.346 -1.189 1.00 35.52 H new ATOM 0 HA ASN A 112 -21.007 21.964 -2.499 1.00 14.32 H new ATOM 0 HB2 ASN A 112 -22.802 21.251 -0.755 1.00 2.32 H new ATOM 0 HB3 ASN A 112 -21.534 21.428 0.442 1.00 2.32 H new ATOM 0 HD21 ASN A 112 -23.568 24.630 -0.032 1.00 34.14 H new ATOM 0 HD22 ASN A 112 -24.031 22.936 0.158 1.00 34.14 H new ATOM 1811 N GLN A 113 -18.952 22.953 -1.353 1.00 63.13 N ATOM 1812 CA GLN A 113 -17.590 23.373 -0.998 1.00 32.02 C ATOM 1813 C GLN A 113 -17.435 23.622 0.509 1.00 73.13 C ATOM 1814 O GLN A 113 -18.399 23.948 1.206 1.00 2.44 O ATOM 1815 CB GLN A 113 -17.212 24.660 -1.746 1.00 22.01 C ATOM 1816 CG GLN A 113 -17.279 24.554 -3.263 1.00 43.20 C ATOM 1817 CD GLN A 113 -16.838 25.836 -3.953 1.00 43.31 C ATOM 1818 OE1 GLN A 113 -16.985 26.931 -3.418 1.00 32.34 O ATOM 1819 NE2 GLN A 113 -16.304 25.715 -5.149 1.00 32.11 N ATOM 0 H GLN A 113 -19.509 23.678 -1.806 1.00 63.13 H new ATOM 0 HA GLN A 113 -16.927 22.557 -1.287 1.00 32.02 H new ATOM 0 HB2 GLN A 113 -17.875 25.462 -1.421 1.00 22.01 H new ATOM 0 HB3 GLN A 113 -16.200 24.948 -1.459 1.00 22.01 H new ATOM 0 HG2 GLN A 113 -16.648 23.730 -3.595 1.00 43.20 H new ATOM 0 HG3 GLN A 113 -18.299 24.315 -3.563 1.00 43.20 H new ATOM 0 HE21 GLN A 113 -16.195 24.791 -5.568 1.00 32.11 H new ATOM 0 HE22 GLN A 113 -15.999 26.545 -5.658 1.00 32.11 H new ATOM 1828 N THR A 114 -16.210 23.474 1.005 1.00 70.11 N ATOM 1829 CA THR A 114 -15.883 23.873 2.378 1.00 60.43 C ATOM 1830 C THR A 114 -15.864 25.402 2.483 1.00 25.02 C ATOM 1831 O THR A 114 -16.266 25.972 3.497 1.00 20.14 O ATOM 1832 CB THR A 114 -14.511 23.322 2.830 1.00 45.52 C ATOM 1833 OG1 THR A 114 -13.458 23.925 2.059 1.00 34.24 O ATOM 1834 CG2 THR A 114 -14.455 21.806 2.671 1.00 23.44 C ATOM 0 H THR A 114 -15.427 23.082 0.482 1.00 70.11 H new ATOM 0 HA THR A 114 -16.650 23.455 3.030 1.00 60.43 H new ATOM 0 HB THR A 114 -14.377 23.568 3.883 1.00 45.52 H new ATOM 0 HG1 THR A 114 -12.593 23.571 2.354 1.00 34.24 H new ATOM 0 HG21 THR A 114 -13.480 21.442 2.995 1.00 23.44 H new ATOM 0 HG22 THR A 114 -15.234 21.347 3.279 1.00 23.44 H new ATOM 0 HG23 THR A 114 -14.610 21.544 1.624 1.00 23.44 H new ATOM 1842 N LEU A 115 -15.376 26.047 1.416 1.00 23.33 N ATOM 1843 CA LEU A 115 -15.427 27.508 1.261 1.00 12.23 C ATOM 1844 C LEU A 115 -14.658 28.259 2.367 1.00 60.30 C ATOM 1845 O LEU A 115 -15.152 28.415 3.488 1.00 3.13 O ATOM 1846 CB LEU A 115 -16.890 27.981 1.211 1.00 43.10 C ATOM 1847 CG LEU A 115 -17.091 29.493 1.015 1.00 51.43 C ATOM 1848 CD1 LEU A 115 -16.436 29.956 -0.285 1.00 21.13 C ATOM 1849 CD2 LEU A 115 -18.579 29.845 1.033 1.00 65.33 C ATOM 0 H LEU A 115 -14.932 25.569 0.632 1.00 23.33 H new ATOM 0 HA LEU A 115 -14.930 27.745 0.321 1.00 12.23 H new ATOM 0 HB2 LEU A 115 -17.395 27.457 0.400 1.00 43.10 H new ATOM 0 HB3 LEU A 115 -17.381 27.684 2.137 1.00 43.10 H new ATOM 0 HG LEU A 115 -16.610 30.016 1.842 1.00 51.43 H new ATOM 0 HD11 LEU A 115 -16.588 31.028 -0.407 1.00 21.13 H new ATOM 0 HD12 LEU A 115 -15.368 29.743 -0.250 1.00 21.13 H new ATOM 0 HD13 LEU A 115 -16.884 29.428 -1.126 1.00 21.13 H new ATOM 0 HD21 LEU A 115 -18.701 30.919 0.893 1.00 65.33 H new ATOM 0 HD22 LEU A 115 -19.088 29.314 0.229 1.00 65.33 H new ATOM 0 HD23 LEU A 115 -19.010 29.553 1.990 1.00 65.33 H new ATOM 1861 N PRO A 116 -13.426 28.721 2.072 1.00 61.04 N ATOM 1862 CA PRO A 116 -12.648 29.551 3.008 1.00 52.22 C ATOM 1863 C PRO A 116 -13.190 30.996 3.104 1.00 41.43 C ATOM 1864 O PRO A 116 -13.964 31.281 4.046 1.00 37.34 O ATOM 1865 CB PRO A 116 -11.232 29.516 2.414 1.00 43.11 C ATOM 1866 CG PRO A 116 -11.437 29.297 0.950 1.00 24.13 C ATOM 1867 CD PRO A 116 -12.689 28.462 0.816 1.00 53.44 C ATOM 1868 OXT PRO A 116 -12.859 31.834 2.233 1.00 37.34 O ATOM 0 HA PRO A 116 -12.694 29.180 4.032 1.00 52.22 H new ATOM 0 HB2 PRO A 116 -10.700 30.448 2.604 1.00 43.11 H new ATOM 0 HB3 PRO A 116 -10.638 28.715 2.854 1.00 43.11 H new ATOM 0 HG2 PRO A 116 -11.546 30.247 0.426 1.00 24.13 H new ATOM 0 HG3 PRO A 116 -10.580 28.786 0.510 1.00 24.13 H new ATOM 0 HD2 PRO A 116 -13.273 28.754 -0.057 1.00 53.44 H new ATOM 0 HD3 PRO A 116 -12.453 27.404 0.702 1.00 53.44 H new TER 1876 PRO A 116