USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 987 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 70 TYR OH : rot -86:sc= 1.09 USER MOD Set 1.2: A 124 ASN : amide:sc= 1.08 K(o=2.2,f=1.1) USER MOD Set 2.1: A 22 MET CE :methyl -160:sc= -0.127 (180deg=-0.639) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 15 GLN : amide:sc= -1.21 K(o=-2.3,f=-0.24) USER MOD Set 3.2: A 17 GLN : amide:sc= 0.0214 K(o=-2.3,f=-0.24) USER MOD Set 3.3: A 69 GLN : amide:sc= -1.16 K(o=-2.3,f=-0.24) USER MOD Set 4.1: A 62 GLN : amide:sc= -0.239 K(o=0.67,f=-8.5!) USER MOD Set 4.2: A 65 LYS NZ :NH3+ 164:sc= 0.908 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0944) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.7) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 9 MET CE :methyl 165:sc= -0.0476 (180deg=-0.358) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 51:sc= 0.162 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.89) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -75:sc= 1.09 USER MOD Single : A 37 SER OG : rot -23:sc= 0.199 USER MOD Single : A 38 CYS SG : rot -65:sc= -3.24! USER MOD Single : A 39 ASN : amide:sc= -0.177 K(o=-0.18,f=-3!) USER MOD Single : A 41 ASN : amide:sc= -0.474 K(o=-0.47,f=-3.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.9!) USER MOD Single : A 73 ASN : amide:sc= -0.434 K(o=-0.43,f=-5.9!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.0168 K(o=-0.017,f=-0.86) USER MOD Single : A 84 ASN : amide:sc= -0.723 K(o=-0.72,f=0) USER MOD Single : A 85 GLN : amide:sc= 0.899 K(o=0.9,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 66:sc= -0.157 USER MOD Single : A 101 MET CE :methyl 151:sc= -0.208 (180deg=-1.58) USER MOD Single : A 103 LYS NZ :NH3+ 179:sc= 0.643 (180deg=0.642) USER MOD Single : A 104 ASN : amide:sc= -0.433 K(o=-0.43,f=-0.97) USER MOD Single : A 106 LYS NZ :NH3+ 169:sc= -0.0211 (180deg=-0.177) USER MOD Single : A 107 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0248) USER MOD Single : A 109 SER OG : rot 148:sc= 0.658 USER MOD Single : A 110 GLN : amide:sc=-0.000325 K(o=-0.00033,f=-0.85) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -107:sc= 1.19 (180deg=-0.116) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.0105 X(o=-0.01,f=-0.5) USER MOD Single : A 126 ASN : amide:sc= 0.209 K(o=0.21,f=-1.3) USER MOD Single : A 128 ASN : amide:sc= -2.92! K(o=-2.9!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.415 -4.042 -51.309 1.00 4.54 N ATOM 2 CA MET A 1 21.547 -3.569 -50.209 1.00 4.02 C ATOM 3 C MET A 1 21.731 -4.443 -48.974 1.00 40.23 C ATOM 4 O MET A 1 21.201 -5.556 -48.901 1.00 64.21 O ATOM 5 CB MET A 1 20.073 -3.578 -50.643 1.00 44.51 C ATOM 6 CG MET A 1 19.757 -2.610 -51.775 1.00 61.12 C ATOM 7 SD MET A 1 20.065 -0.889 -51.319 1.00 0.24 S ATOM 8 CE MET A 1 19.617 -0.046 -52.837 1.00 2.11 C ATOM 0 H1 MET A 1 22.408 -3.345 -52.081 1.00 4.54 H new ATOM 0 H2 MET A 1 23.387 -4.161 -50.958 1.00 4.54 H new ATOM 0 H3 MET A 1 22.061 -4.954 -51.663 1.00 4.54 H new ATOM 0 HA MET A 1 21.833 -2.546 -49.963 1.00 4.02 H new ATOM 0 HB2 MET A 1 19.802 -4.587 -50.955 1.00 44.51 H new ATOM 0 HB3 MET A 1 19.450 -3.332 -49.783 1.00 44.51 H new ATOM 0 HG2 MET A 1 20.360 -2.865 -52.646 1.00 61.12 H new ATOM 0 HG3 MET A 1 18.713 -2.724 -52.066 1.00 61.12 H new ATOM 0 HE1 MET A 1 19.755 1.028 -52.711 1.00 2.11 H new ATOM 0 HE2 MET A 1 20.250 -0.400 -53.650 1.00 2.11 H new ATOM 0 HE3 MET A 1 18.573 -0.253 -53.074 1.00 2.11 H new ATOM 20 N ALA A 2 22.494 -3.944 -48.010 1.00 73.11 N ATOM 21 CA ALA A 2 22.756 -4.666 -46.773 1.00 2.40 C ATOM 22 C ALA A 2 22.848 -3.695 -45.604 1.00 64.41 C ATOM 23 O ALA A 2 23.335 -2.572 -45.757 1.00 0.14 O ATOM 24 CB ALA A 2 24.041 -5.479 -46.892 1.00 42.22 C ATOM 0 H ALA A 2 22.947 -3.031 -48.063 1.00 73.11 H new ATOM 0 HA ALA A 2 21.929 -5.353 -46.590 1.00 2.40 H new ATOM 0 HB1 ALA A 2 24.222 -6.012 -45.959 1.00 42.22 H new ATOM 0 HB2 ALA A 2 23.944 -6.196 -47.707 1.00 42.22 H new ATOM 0 HB3 ALA A 2 24.877 -4.810 -47.096 1.00 42.22 H new ATOM 30 N HIS A 3 22.356 -4.123 -44.446 1.00 43.51 N ATOM 31 CA HIS A 3 22.429 -3.330 -43.219 1.00 24.41 C ATOM 32 C HIS A 3 22.676 -4.244 -42.029 1.00 44.43 C ATOM 33 O HIS A 3 22.222 -5.390 -42.013 1.00 60.12 O ATOM 34 CB HIS A 3 21.145 -2.512 -42.993 1.00 61.23 C ATOM 35 CG HIS A 3 21.009 -1.327 -43.902 1.00 62.13 C ATOM 36 ND1 HIS A 3 21.523 -0.082 -43.602 1.00 72.04 N ATOM 37 CD2 HIS A 3 20.418 -1.203 -45.114 1.00 42.05 C ATOM 38 CE1 HIS A 3 21.252 0.753 -44.587 1.00 63.00 C ATOM 39 NE2 HIS A 3 20.584 0.097 -45.516 1.00 42.44 N ATOM 0 H HIS A 3 21.896 -5.026 -44.329 1.00 43.51 H new ATOM 0 HA HIS A 3 23.257 -2.628 -43.323 1.00 24.41 H new ATOM 0 HB2 HIS A 3 20.282 -3.164 -43.131 1.00 61.23 H new ATOM 0 HB3 HIS A 3 21.123 -2.168 -41.959 1.00 61.23 H new ATOM 0 HD2 HIS A 3 19.910 -1.983 -45.662 1.00 42.05 H new ATOM 0 HE1 HIS A 3 21.530 1.796 -44.626 1.00 63.00 H new ATOM 0 HE2 HIS A 3 20.245 0.493 -46.393 1.00 42.44 H new ATOM 48 N HIS A 4 23.410 -3.739 -41.045 1.00 3.10 N ATOM 49 CA HIS A 4 23.745 -4.505 -39.851 1.00 5.51 C ATOM 50 C HIS A 4 23.490 -3.678 -38.600 1.00 62.42 C ATOM 51 O HIS A 4 24.121 -2.637 -38.396 1.00 43.13 O ATOM 52 CB HIS A 4 25.215 -4.949 -39.884 1.00 33.34 C ATOM 53 CG HIS A 4 25.517 -5.986 -40.924 1.00 61.42 C ATOM 54 ND1 HIS A 4 25.663 -7.325 -40.628 1.00 72.20 N ATOM 55 CD2 HIS A 4 25.705 -5.879 -42.263 1.00 1.32 C ATOM 56 CE1 HIS A 4 25.927 -7.993 -41.734 1.00 20.22 C ATOM 57 NE2 HIS A 4 25.958 -7.141 -42.738 1.00 21.44 N ATOM 0 H HIS A 4 23.788 -2.792 -41.052 1.00 3.10 H new ATOM 0 HA HIS A 4 23.110 -5.391 -39.830 1.00 5.51 H new ATOM 0 HB2 HIS A 4 25.843 -4.076 -40.063 1.00 33.34 H new ATOM 0 HB3 HIS A 4 25.487 -5.342 -38.904 1.00 33.34 H new ATOM 0 HD2 HIS A 4 25.663 -4.971 -42.846 1.00 1.32 H new ATOM 0 HE1 HIS A 4 26.090 -9.058 -41.805 1.00 20.22 H new ATOM 0 HE2 HIS A 4 26.141 -7.381 -43.712 1.00 21.44 H new ATOM 66 N HIS A 5 22.542 -4.124 -37.785 1.00 31.11 N ATOM 67 CA HIS A 5 22.297 -3.524 -36.480 1.00 33.41 C ATOM 68 C HIS A 5 21.445 -4.462 -35.628 1.00 44.41 C ATOM 69 O HIS A 5 20.293 -4.753 -35.957 1.00 2.11 O ATOM 70 CB HIS A 5 21.641 -2.133 -36.601 1.00 2.45 C ATOM 71 CG HIS A 5 20.211 -2.139 -37.049 1.00 42.02 C ATOM 72 ND1 HIS A 5 19.155 -2.105 -36.165 1.00 43.14 N ATOM 73 CD2 HIS A 5 19.663 -2.148 -38.286 1.00 32.12 C ATOM 74 CE1 HIS A 5 18.022 -2.093 -36.837 1.00 50.01 C ATOM 75 NE2 HIS A 5 18.302 -2.118 -38.126 1.00 71.24 N ATOM 0 H HIS A 5 21.926 -4.906 -38.008 1.00 31.11 H new ATOM 0 HA HIS A 5 23.259 -3.377 -35.989 1.00 33.41 H new ATOM 0 HB2 HIS A 5 21.700 -1.636 -35.633 1.00 2.45 H new ATOM 0 HB3 HIS A 5 22.222 -1.535 -37.302 1.00 2.45 H new ATOM 0 HD2 HIS A 5 20.198 -2.174 -39.224 1.00 32.12 H new ATOM 0 HE1 HIS A 5 17.032 -2.067 -36.406 1.00 50.01 H new ATOM 0 HE2 HIS A 5 17.617 -2.115 -38.881 1.00 71.24 H new ATOM 84 N HIS A 6 22.040 -4.958 -34.551 1.00 72.34 N ATOM 85 CA HIS A 6 21.360 -5.854 -33.622 1.00 3.20 C ATOM 86 C HIS A 6 22.071 -5.811 -32.275 1.00 22.05 C ATOM 87 O HIS A 6 23.010 -6.570 -32.025 1.00 33.31 O ATOM 88 CB HIS A 6 21.325 -7.287 -34.174 1.00 72.12 C ATOM 89 CG HIS A 6 20.472 -8.222 -33.373 1.00 11.03 C ATOM 90 ND1 HIS A 6 20.984 -9.198 -32.549 1.00 31.41 N ATOM 91 CD2 HIS A 6 19.127 -8.336 -33.294 1.00 41.02 C ATOM 92 CE1 HIS A 6 19.992 -9.873 -32.002 1.00 73.51 C ATOM 93 NE2 HIS A 6 18.853 -9.370 -32.436 1.00 31.21 N ATOM 0 H HIS A 6 23.006 -4.752 -34.296 1.00 72.34 H new ATOM 0 HA HIS A 6 20.329 -5.525 -33.495 1.00 3.20 H new ATOM 0 HB2 HIS A 6 20.957 -7.263 -35.200 1.00 72.12 H new ATOM 0 HB3 HIS A 6 22.342 -7.678 -34.210 1.00 72.12 H new ATOM 0 HD2 HIS A 6 18.402 -7.725 -33.811 1.00 41.02 H new ATOM 0 HE1 HIS A 6 20.095 -10.699 -31.314 1.00 73.51 H new ATOM 0 HE2 HIS A 6 17.922 -9.696 -32.176 1.00 31.21 H new ATOM 102 N HIS A 7 21.621 -4.902 -31.424 1.00 44.11 N ATOM 103 CA HIS A 7 22.282 -4.616 -30.158 1.00 60.23 C ATOM 104 C HIS A 7 21.315 -3.896 -29.222 1.00 73.42 C ATOM 105 O HIS A 7 21.032 -2.713 -29.404 1.00 44.31 O ATOM 106 CB HIS A 7 23.533 -3.757 -30.413 1.00 32.20 C ATOM 107 CG HIS A 7 24.180 -3.217 -29.171 1.00 65.24 C ATOM 108 ND1 HIS A 7 24.230 -1.870 -28.879 1.00 74.30 N ATOM 109 CD2 HIS A 7 24.822 -3.842 -28.157 1.00 30.03 C ATOM 110 CE1 HIS A 7 24.872 -1.691 -27.743 1.00 11.43 C ATOM 111 NE2 HIS A 7 25.240 -2.870 -27.285 1.00 74.55 N ATOM 0 H HIS A 7 20.786 -4.340 -31.591 1.00 44.11 H new ATOM 0 HA HIS A 7 22.589 -5.549 -29.686 1.00 60.23 H new ATOM 0 HB2 HIS A 7 24.264 -4.355 -30.958 1.00 32.20 H new ATOM 0 HB3 HIS A 7 23.260 -2.922 -31.058 1.00 32.20 H new ATOM 0 HD2 HIS A 7 24.976 -4.906 -28.054 1.00 30.03 H new ATOM 0 HE1 HIS A 7 25.064 -0.740 -27.268 1.00 11.43 H new ATOM 0 HE2 HIS A 7 25.754 -3.034 -26.419 1.00 74.55 H new ATOM 120 N HIS A 8 20.793 -4.619 -28.237 1.00 63.01 N ATOM 121 CA HIS A 8 19.815 -4.059 -27.310 1.00 20.22 C ATOM 122 C HIS A 8 19.866 -4.784 -25.969 1.00 54.23 C ATOM 123 O HIS A 8 19.895 -6.016 -25.926 1.00 2.30 O ATOM 124 CB HIS A 8 18.404 -4.158 -27.909 1.00 72.23 C ATOM 125 CG HIS A 8 17.327 -3.613 -27.016 1.00 74.43 C ATOM 126 ND1 HIS A 8 16.395 -4.410 -26.389 1.00 44.35 N ATOM 127 CD2 HIS A 8 17.038 -2.342 -26.649 1.00 24.31 C ATOM 128 CE1 HIS A 8 15.581 -3.656 -25.676 1.00 24.23 C ATOM 129 NE2 HIS A 8 15.949 -2.398 -25.817 1.00 15.04 N ATOM 0 H HIS A 8 21.031 -5.595 -28.060 1.00 63.01 H new ATOM 0 HA HIS A 8 20.059 -3.010 -27.144 1.00 20.22 H new ATOM 0 HB2 HIS A 8 18.383 -3.621 -28.857 1.00 72.23 H new ATOM 0 HB3 HIS A 8 18.186 -5.203 -28.130 1.00 72.23 H new ATOM 0 HD2 HIS A 8 17.566 -1.451 -26.954 1.00 24.31 H new ATOM 0 HE1 HIS A 8 14.754 -4.009 -25.078 1.00 24.23 H new ATOM 0 HE2 HIS A 8 15.497 -1.596 -25.378 1.00 15.04 H new ATOM 138 N MET A 9 19.899 -4.012 -24.886 1.00 13.53 N ATOM 139 CA MET A 9 19.868 -4.555 -23.531 1.00 63.22 C ATOM 140 C MET A 9 19.368 -3.490 -22.556 1.00 63.21 C ATOM 141 O MET A 9 20.047 -2.487 -22.322 1.00 1.34 O ATOM 142 CB MET A 9 21.261 -5.054 -23.108 1.00 42.24 C ATOM 143 CG MET A 9 21.316 -5.612 -21.688 1.00 32.22 C ATOM 144 SD MET A 9 20.198 -7.011 -21.437 1.00 11.20 S ATOM 145 CE MET A 9 20.909 -8.225 -22.549 1.00 25.30 C ATOM 0 H MET A 9 19.948 -2.994 -24.923 1.00 13.53 H new ATOM 0 HA MET A 9 19.185 -5.404 -23.514 1.00 63.22 H new ATOM 0 HB2 MET A 9 21.585 -5.827 -23.804 1.00 42.24 H new ATOM 0 HB3 MET A 9 21.971 -4.231 -23.192 1.00 42.24 H new ATOM 0 HG2 MET A 9 22.336 -5.924 -21.465 1.00 32.22 H new ATOM 0 HG3 MET A 9 21.064 -4.821 -20.982 1.00 32.22 H new ATOM 0 HE1 MET A 9 20.506 -9.211 -22.317 1.00 25.30 H new ATOM 0 HE2 MET A 9 20.661 -7.965 -23.578 1.00 25.30 H new ATOM 0 HE3 MET A 9 21.992 -8.238 -22.429 1.00 25.30 H new ATOM 155 N GLY A 10 18.170 -3.701 -22.014 1.00 3.44 N ATOM 156 CA GLY A 10 17.590 -2.757 -21.071 1.00 34.42 C ATOM 157 C GLY A 10 16.596 -3.419 -20.138 1.00 1.21 C ATOM 158 O GLY A 10 15.382 -3.306 -20.331 1.00 13.14 O ATOM 0 H GLY A 10 17.587 -4.514 -22.213 1.00 3.44 H new ATOM 0 HA2 GLY A 10 18.385 -2.296 -20.485 1.00 34.42 H new ATOM 0 HA3 GLY A 10 17.094 -1.956 -21.619 1.00 34.42 H new ATOM 162 N THR A 11 17.112 -4.133 -19.141 1.00 63.24 N ATOM 163 CA THR A 11 16.282 -4.819 -18.155 1.00 64.34 C ATOM 164 C THR A 11 17.137 -5.309 -16.977 1.00 34.43 C ATOM 165 O THR A 11 17.920 -6.252 -17.111 1.00 22.14 O ATOM 166 CB THR A 11 15.498 -6.005 -18.794 1.00 71.41 C ATOM 167 OG1 THR A 11 14.732 -6.699 -17.798 1.00 0.35 O ATOM 168 CG2 THR A 11 16.430 -6.987 -19.503 1.00 23.04 C ATOM 0 H THR A 11 18.114 -4.252 -18.994 1.00 63.24 H new ATOM 0 HA THR A 11 15.551 -4.102 -17.781 1.00 64.34 H new ATOM 0 HB THR A 11 14.824 -5.580 -19.538 1.00 71.41 H new ATOM 0 HG1 THR A 11 14.245 -7.439 -18.217 1.00 0.35 H new ATOM 0 HG21 THR A 11 15.844 -7.798 -19.934 1.00 23.04 H new ATOM 0 HG22 THR A 11 16.970 -6.469 -20.295 1.00 23.04 H new ATOM 0 HG23 THR A 11 17.142 -7.395 -18.786 1.00 23.04 H new ATOM 176 N LEU A 12 17.001 -4.639 -15.831 1.00 55.35 N ATOM 177 CA LEU A 12 17.723 -5.014 -14.617 1.00 74.22 C ATOM 178 C LEU A 12 17.213 -4.199 -13.426 1.00 35.41 C ATOM 179 O LEU A 12 17.803 -3.186 -13.049 1.00 43.22 O ATOM 180 CB LEU A 12 19.240 -4.812 -14.795 1.00 43.32 C ATOM 181 CG LEU A 12 20.121 -5.310 -13.634 1.00 72.41 C ATOM 182 CD1 LEU A 12 19.961 -6.817 -13.434 1.00 30.04 C ATOM 183 CD2 LEU A 12 21.586 -4.952 -13.882 1.00 43.33 C ATOM 0 H LEU A 12 16.392 -3.828 -15.720 1.00 55.35 H new ATOM 0 HA LEU A 12 17.542 -6.071 -14.424 1.00 74.22 H new ATOM 0 HB2 LEU A 12 19.551 -5.321 -15.707 1.00 43.32 H new ATOM 0 HB3 LEU A 12 19.432 -3.749 -14.942 1.00 43.32 H new ATOM 0 HG LEU A 12 19.793 -4.812 -12.721 1.00 72.41 H new ATOM 0 HD11 LEU A 12 20.593 -7.144 -12.609 1.00 30.04 H new ATOM 0 HD12 LEU A 12 18.920 -7.045 -13.206 1.00 30.04 H new ATOM 0 HD13 LEU A 12 20.255 -7.338 -14.345 1.00 30.04 H new ATOM 0 HD21 LEU A 12 22.194 -5.311 -13.052 1.00 43.33 H new ATOM 0 HD22 LEU A 12 21.923 -5.419 -14.807 1.00 43.33 H new ATOM 0 HD23 LEU A 12 21.687 -3.870 -13.964 1.00 43.33 H new ATOM 195 N GLU A 13 16.100 -4.641 -12.852 1.00 4.05 N ATOM 196 CA GLU A 13 15.474 -3.952 -11.721 1.00 53.54 C ATOM 197 C GLU A 13 15.973 -4.526 -10.391 1.00 2.34 C ATOM 198 O GLU A 13 15.199 -4.736 -9.456 1.00 43.04 O ATOM 199 CB GLU A 13 13.943 -4.062 -11.838 1.00 45.31 C ATOM 200 CG GLU A 13 13.378 -3.346 -13.062 1.00 23.35 C ATOM 201 CD GLU A 13 11.881 -3.556 -13.247 1.00 0.25 C ATOM 202 OE1 GLU A 13 11.105 -3.189 -12.341 1.00 24.01 O ATOM 203 OE2 GLU A 13 11.474 -4.071 -14.314 1.00 10.11 O ATOM 0 H GLU A 13 15.606 -5.481 -13.152 1.00 4.05 H new ATOM 0 HA GLU A 13 15.752 -2.898 -11.744 1.00 53.54 H new ATOM 0 HB2 GLU A 13 13.664 -5.115 -11.880 1.00 45.31 H new ATOM 0 HB3 GLU A 13 13.486 -3.647 -10.940 1.00 45.31 H new ATOM 0 HG2 GLU A 13 13.580 -2.278 -12.975 1.00 23.35 H new ATOM 0 HG3 GLU A 13 13.900 -3.697 -13.952 1.00 23.35 H new ATOM 210 N ALA A 14 17.283 -4.753 -10.307 1.00 64.35 N ATOM 211 CA ALA A 14 17.897 -5.313 -9.104 1.00 62.44 C ATOM 212 C ALA A 14 18.205 -4.211 -8.088 1.00 2.53 C ATOM 213 O ALA A 14 19.227 -3.527 -8.190 1.00 63.43 O ATOM 214 CB ALA A 14 19.164 -6.081 -9.464 1.00 22.43 C ATOM 0 H ALA A 14 17.942 -4.557 -11.061 1.00 64.35 H new ATOM 0 HA ALA A 14 17.190 -6.006 -8.648 1.00 62.44 H new ATOM 0 HB1 ALA A 14 19.610 -6.492 -8.558 1.00 22.43 H new ATOM 0 HB2 ALA A 14 18.915 -6.893 -10.147 1.00 22.43 H new ATOM 0 HB3 ALA A 14 19.874 -5.407 -9.944 1.00 22.43 H new ATOM 220 N GLN A 15 17.305 -4.038 -7.122 1.00 40.12 N ATOM 221 CA GLN A 15 17.450 -3.009 -6.092 1.00 53.35 C ATOM 222 C GLN A 15 17.972 -3.604 -4.785 1.00 14.53 C ATOM 223 O GLN A 15 17.259 -4.340 -4.095 1.00 44.21 O ATOM 224 CB GLN A 15 16.103 -2.317 -5.849 1.00 42.32 C ATOM 225 CG GLN A 15 15.564 -1.577 -7.068 1.00 23.30 C ATOM 226 CD GLN A 15 14.210 -0.942 -6.809 1.00 3.45 C ATOM 227 OE1 GLN A 15 13.170 -1.549 -7.044 1.00 52.41 O ATOM 228 NE2 GLN A 15 14.216 0.282 -6.313 1.00 71.43 N ATOM 0 H GLN A 15 16.460 -4.602 -7.030 1.00 40.12 H new ATOM 0 HA GLN A 15 18.176 -2.277 -6.446 1.00 53.35 H new ATOM 0 HB2 GLN A 15 15.373 -3.063 -5.536 1.00 42.32 H new ATOM 0 HB3 GLN A 15 16.211 -1.611 -5.025 1.00 42.32 H new ATOM 0 HG2 GLN A 15 16.274 -0.804 -7.363 1.00 23.30 H new ATOM 0 HG3 GLN A 15 15.482 -2.271 -7.904 1.00 23.30 H new ATOM 0 HE21 GLN A 15 15.102 0.754 -6.131 1.00 71.43 H new ATOM 0 HE22 GLN A 15 13.335 0.755 -6.112 1.00 71.43 H new ATOM 237 N THR A 16 19.218 -3.280 -4.453 1.00 74.42 N ATOM 238 CA THR A 16 19.847 -3.751 -3.224 1.00 62.12 C ATOM 239 C THR A 16 19.931 -2.629 -2.182 1.00 2.34 C ATOM 240 O THR A 16 20.942 -1.931 -2.079 1.00 14.22 O ATOM 241 CB THR A 16 21.258 -4.311 -3.518 1.00 32.05 C ATOM 242 OG1 THR A 16 21.986 -3.380 -4.333 1.00 64.11 O ATOM 243 CG2 THR A 16 21.181 -5.656 -4.234 1.00 52.35 C ATOM 0 H THR A 16 19.818 -2.686 -5.026 1.00 74.42 H new ATOM 0 HA THR A 16 19.228 -4.550 -2.816 1.00 62.12 H new ATOM 0 HB THR A 16 21.770 -4.456 -2.567 1.00 32.05 H new ATOM 0 HG1 THR A 16 21.947 -2.489 -3.926 1.00 64.11 H new ATOM 0 HG21 THR A 16 22.189 -6.024 -4.427 1.00 52.35 H new ATOM 0 HG22 THR A 16 20.647 -6.371 -3.608 1.00 52.35 H new ATOM 0 HG23 THR A 16 20.652 -5.535 -5.179 1.00 52.35 H new ATOM 251 N GLN A 17 18.845 -2.444 -1.432 1.00 13.03 N ATOM 252 CA GLN A 17 18.769 -1.418 -0.390 1.00 15.42 C ATOM 253 C GLN A 17 18.076 -1.988 0.847 1.00 62.24 C ATOM 254 O GLN A 17 17.387 -3.009 0.759 1.00 21.00 O ATOM 255 CB GLN A 17 18.014 -0.181 -0.907 1.00 31.40 C ATOM 256 CG GLN A 17 18.734 0.559 -2.032 1.00 15.43 C ATOM 257 CD GLN A 17 17.897 1.669 -2.648 1.00 24.01 C ATOM 258 OE1 GLN A 17 17.049 2.267 -1.987 1.00 42.21 O ATOM 259 NE2 GLN A 17 18.135 1.959 -3.919 1.00 73.32 N ATOM 0 H GLN A 17 17.995 -2.999 -1.528 1.00 13.03 H new ATOM 0 HA GLN A 17 19.780 -1.112 -0.120 1.00 15.42 H new ATOM 0 HB2 GLN A 17 17.030 -0.490 -1.260 1.00 31.40 H new ATOM 0 HB3 GLN A 17 17.853 0.507 -0.077 1.00 31.40 H new ATOM 0 HG2 GLN A 17 19.661 0.983 -1.645 1.00 15.43 H new ATOM 0 HG3 GLN A 17 19.010 -0.154 -2.809 1.00 15.43 H new ATOM 0 HE21 GLN A 17 18.846 1.442 -4.436 1.00 73.32 H new ATOM 0 HE22 GLN A 17 17.607 2.700 -4.381 1.00 73.32 H new ATOM 268 N GLY A 18 18.265 -1.333 1.989 1.00 4.54 N ATOM 269 CA GLY A 18 17.729 -1.830 3.248 1.00 43.04 C ATOM 270 C GLY A 18 16.511 -1.060 3.730 1.00 50.31 C ATOM 271 O GLY A 18 15.986 -0.207 3.012 1.00 74.22 O ATOM 0 H GLY A 18 18.785 -0.459 2.066 1.00 4.54 H new ATOM 0 HA2 GLY A 18 17.463 -2.881 3.132 1.00 43.04 H new ATOM 0 HA3 GLY A 18 18.506 -1.780 4.010 1.00 43.04 H new ATOM 275 N PRO A 19 16.044 -1.348 4.962 1.00 2.42 N ATOM 276 CA PRO A 19 14.867 -0.708 5.551 1.00 3.44 C ATOM 277 C PRO A 19 15.214 0.565 6.337 1.00 12.11 C ATOM 278 O PRO A 19 16.317 1.110 6.208 1.00 53.25 O ATOM 279 CB PRO A 19 14.360 -1.804 6.489 1.00 2.44 C ATOM 280 CG PRO A 19 15.602 -2.471 6.987 1.00 51.33 C ATOM 281 CD PRO A 19 16.636 -2.339 5.887 1.00 72.24 C ATOM 0 HA PRO A 19 14.146 -0.372 4.805 1.00 3.44 H new ATOM 0 HB2 PRO A 19 13.777 -1.386 7.310 1.00 2.44 H new ATOM 0 HB3 PRO A 19 13.714 -2.508 5.965 1.00 2.44 H new ATOM 0 HG2 PRO A 19 15.952 -2.001 7.906 1.00 51.33 H new ATOM 0 HG3 PRO A 19 15.413 -3.520 7.217 1.00 51.33 H new ATOM 0 HD2 PRO A 19 17.595 -1.998 6.278 1.00 72.24 H new ATOM 0 HD3 PRO A 19 16.815 -3.292 5.390 1.00 72.24 H new ATOM 289 N GLY A 20 14.264 1.035 7.150 1.00 0.33 N ATOM 290 CA GLY A 20 14.504 2.202 7.986 1.00 65.32 C ATOM 291 C GLY A 20 13.223 2.894 8.420 1.00 55.15 C ATOM 292 O GLY A 20 13.098 4.112 8.281 1.00 31.34 O ATOM 0 H GLY A 20 13.334 0.627 7.243 1.00 0.33 H new ATOM 0 HA2 GLY A 20 15.065 1.900 8.870 1.00 65.32 H new ATOM 0 HA3 GLY A 20 15.127 2.911 7.441 1.00 65.32 H new ATOM 296 N SER A 21 12.273 2.109 8.935 1.00 41.00 N ATOM 297 CA SER A 21 10.993 2.629 9.428 1.00 30.24 C ATOM 298 C SER A 21 10.347 3.564 8.399 1.00 73.04 C ATOM 299 O SER A 21 10.415 4.791 8.517 1.00 52.41 O ATOM 300 CB SER A 21 11.177 3.345 10.779 1.00 3.10 C ATOM 301 OG SER A 21 9.928 3.730 11.339 1.00 74.21 O ATOM 0 H SER A 21 12.368 1.097 9.022 1.00 41.00 H new ATOM 0 HA SER A 21 10.323 1.783 9.581 1.00 30.24 H new ATOM 0 HB2 SER A 21 11.700 2.687 11.472 1.00 3.10 H new ATOM 0 HB3 SER A 21 11.803 4.227 10.642 1.00 3.10 H new ATOM 0 HG SER A 21 10.079 4.180 12.196 1.00 74.21 H new ATOM 307 N MET A 22 9.750 2.972 7.374 1.00 72.24 N ATOM 308 CA MET A 22 9.133 3.723 6.284 1.00 61.30 C ATOM 309 C MET A 22 7.634 3.464 6.224 1.00 43.11 C ATOM 310 O MET A 22 6.862 4.345 5.833 1.00 63.24 O ATOM 311 CB MET A 22 9.776 3.342 4.947 1.00 24.04 C ATOM 312 CG MET A 22 11.246 3.715 4.844 1.00 12.22 C ATOM 313 SD MET A 22 11.521 5.497 4.943 1.00 54.11 S ATOM 314 CE MET A 22 10.636 6.060 3.490 1.00 0.13 C ATOM 0 H MET A 22 9.679 1.960 7.272 1.00 72.24 H new ATOM 0 HA MET A 22 9.295 4.784 6.473 1.00 61.30 H new ATOM 0 HB2 MET A 22 9.672 2.267 4.798 1.00 24.04 H new ATOM 0 HB3 MET A 22 9.230 3.830 4.140 1.00 24.04 H new ATOM 0 HG2 MET A 22 11.799 3.221 5.643 1.00 12.22 H new ATOM 0 HG3 MET A 22 11.646 3.341 3.901 1.00 12.22 H new ATOM 0 HE1 MET A 22 10.991 7.051 3.209 1.00 0.13 H new ATOM 0 HE2 MET A 22 10.809 5.366 2.667 1.00 0.13 H new ATOM 0 HE3 MET A 22 9.569 6.105 3.709 1.00 0.13 H new ATOM 324 N ILE A 23 7.227 2.254 6.601 1.00 12.32 N ATOM 325 CA ILE A 23 5.820 1.873 6.559 1.00 54.24 C ATOM 326 C ILE A 23 5.008 2.752 7.506 1.00 75.15 C ATOM 327 O ILE A 23 5.233 2.744 8.721 1.00 72.21 O ATOM 328 CB ILE A 23 5.613 0.384 6.937 1.00 54.52 C ATOM 329 CG1 ILE A 23 6.522 -0.525 6.090 1.00 72.42 C ATOM 330 CG2 ILE A 23 4.146 -0.009 6.765 1.00 15.21 C ATOM 331 CD1 ILE A 23 6.281 -0.430 4.596 1.00 33.13 C ATOM 0 H ILE A 23 7.852 1.522 6.939 1.00 12.32 H new ATOM 0 HA ILE A 23 5.477 2.014 5.534 1.00 54.24 H new ATOM 0 HB ILE A 23 5.885 0.253 7.984 1.00 54.52 H new ATOM 0 HG12 ILE A 23 7.562 -0.272 6.295 1.00 72.42 H new ATOM 0 HG13 ILE A 23 6.377 -1.559 6.405 1.00 72.42 H new ATOM 0 HG21 ILE A 23 4.016 -1.057 7.034 1.00 15.21 H new ATOM 0 HG22 ILE A 23 3.525 0.611 7.411 1.00 15.21 H new ATOM 0 HG23 ILE A 23 3.849 0.138 5.727 1.00 15.21 H new ATOM 0 HD11 ILE A 23 6.962 -1.102 4.074 1.00 33.13 H new ATOM 0 HD12 ILE A 23 5.252 -0.713 4.375 1.00 33.13 H new ATOM 0 HD13 ILE A 23 6.455 0.593 4.264 1.00 33.13 H new ATOM 343 N GLU A 24 4.084 3.520 6.947 1.00 64.42 N ATOM 344 CA GLU A 24 3.259 4.429 7.734 1.00 35.52 C ATOM 345 C GLU A 24 2.032 3.692 8.274 1.00 23.52 C ATOM 346 O GLU A 24 1.559 2.732 7.668 1.00 34.33 O ATOM 347 CB GLU A 24 2.840 5.636 6.878 1.00 54.14 C ATOM 348 CG GLU A 24 2.134 6.735 7.664 1.00 74.24 C ATOM 349 CD GLU A 24 2.989 7.270 8.799 1.00 20.05 C ATOM 350 OE1 GLU A 24 3.807 8.182 8.558 1.00 53.03 O ATOM 351 OE2 GLU A 24 2.857 6.768 9.937 1.00 31.52 O ATOM 0 H GLU A 24 3.885 3.532 5.947 1.00 64.42 H new ATOM 0 HA GLU A 24 3.839 4.794 8.582 1.00 35.52 H new ATOM 0 HB2 GLU A 24 3.726 6.056 6.401 1.00 54.14 H new ATOM 0 HB3 GLU A 24 2.181 5.292 6.081 1.00 54.14 H new ATOM 0 HG2 GLU A 24 1.875 7.552 6.990 1.00 74.24 H new ATOM 0 HG3 GLU A 24 1.199 6.347 8.068 1.00 74.24 H new ATOM 358 N GLN A 25 1.524 4.137 9.417 1.00 72.24 N ATOM 359 CA GLN A 25 0.385 3.487 10.056 1.00 13.54 C ATOM 360 C GLN A 25 -0.754 4.482 10.266 1.00 13.45 C ATOM 361 O GLN A 25 -0.542 5.587 10.767 1.00 41.43 O ATOM 362 CB GLN A 25 0.815 2.857 11.386 1.00 10.01 C ATOM 363 CG GLN A 25 1.392 3.848 12.394 1.00 42.42 C ATOM 364 CD GLN A 25 1.949 3.165 13.630 1.00 51.12 C ATOM 365 OE1 GLN A 25 2.440 2.040 13.563 1.00 21.00 O ATOM 366 NE2 GLN A 25 1.872 3.835 14.769 1.00 34.13 N ATOM 0 H GLN A 25 1.883 4.947 9.922 1.00 72.24 H new ATOM 0 HA GLN A 25 0.021 2.695 9.402 1.00 13.54 H new ATOM 0 HB2 GLN A 25 -0.046 2.361 11.834 1.00 10.01 H new ATOM 0 HB3 GLN A 25 1.559 2.086 11.186 1.00 10.01 H new ATOM 0 HG2 GLN A 25 2.182 4.428 11.917 1.00 42.42 H new ATOM 0 HG3 GLN A 25 0.615 4.552 12.691 1.00 42.42 H new ATOM 0 HE21 GLN A 25 1.458 4.767 14.785 1.00 34.13 H new ATOM 0 HE22 GLN A 25 2.227 3.419 15.630 1.00 34.13 H new ATOM 375 N ILE A 26 -1.956 4.087 9.861 1.00 61.13 N ATOM 376 CA ILE A 26 -3.141 4.932 9.986 1.00 61.12 C ATOM 377 C ILE A 26 -4.340 4.100 10.423 1.00 32.31 C ATOM 378 O ILE A 26 -4.254 2.871 10.514 1.00 22.02 O ATOM 379 CB ILE A 26 -3.493 5.642 8.650 1.00 10.44 C ATOM 380 CG1 ILE A 26 -3.717 4.605 7.533 1.00 3.14 C ATOM 381 CG2 ILE A 26 -2.401 6.640 8.261 1.00 1.40 C ATOM 382 CD1 ILE A 26 -4.161 5.203 6.213 1.00 32.12 C ATOM 0 H ILE A 26 -2.138 3.177 9.438 1.00 61.13 H new ATOM 0 HA ILE A 26 -2.911 5.690 10.734 1.00 61.12 H new ATOM 0 HB ILE A 26 -4.420 6.199 8.789 1.00 10.44 H new ATOM 0 HG12 ILE A 26 -2.792 4.051 7.376 1.00 3.14 H new ATOM 0 HG13 ILE A 26 -4.466 3.886 7.864 1.00 3.14 H new ATOM 0 HG21 ILE A 26 -2.669 7.125 7.322 1.00 1.40 H new ATOM 0 HG22 ILE A 26 -2.301 7.393 9.043 1.00 1.40 H new ATOM 0 HG23 ILE A 26 -1.454 6.114 8.140 1.00 1.40 H new ATOM 0 HD11 ILE A 26 -4.297 4.407 5.480 1.00 32.12 H new ATOM 0 HD12 ILE A 26 -5.103 5.733 6.352 1.00 32.12 H new ATOM 0 HD13 ILE A 26 -3.403 5.900 5.856 1.00 32.12 H new ATOM 394 N GLY A 27 -5.451 4.772 10.690 1.00 52.30 N ATOM 395 CA GLY A 27 -6.672 4.086 11.066 1.00 14.41 C ATOM 396 C GLY A 27 -7.628 3.936 9.895 1.00 1.50 C ATOM 397 O GLY A 27 -7.524 4.661 8.904 1.00 30.25 O ATOM 0 H GLY A 27 -5.529 5.788 10.653 1.00 52.30 H new ATOM 0 HA2 GLY A 27 -6.426 3.100 11.461 1.00 14.41 H new ATOM 0 HA3 GLY A 27 -7.165 4.637 11.867 1.00 14.41 H new ATOM 401 N ASP A 28 -8.562 2.996 10.019 1.00 71.04 N ATOM 402 CA ASP A 28 -9.595 2.760 9.003 1.00 14.42 C ATOM 403 C ASP A 28 -10.344 4.053 8.683 1.00 33.01 C ATOM 404 O ASP A 28 -10.663 4.344 7.527 1.00 54.15 O ATOM 405 CB ASP A 28 -10.572 1.703 9.533 1.00 41.35 C ATOM 406 CG ASP A 28 -11.660 1.310 8.548 1.00 12.31 C ATOM 407 OD1 ASP A 28 -12.685 2.019 8.469 1.00 24.23 O ATOM 408 OD2 ASP A 28 -11.520 0.260 7.893 1.00 3.40 O ATOM 0 H ASP A 28 -8.627 2.374 10.825 1.00 71.04 H new ATOM 0 HA ASP A 28 -9.125 2.408 8.085 1.00 14.42 H new ATOM 0 HB2 ASP A 28 -10.010 0.811 9.810 1.00 41.35 H new ATOM 0 HB3 ASP A 28 -11.040 2.081 10.442 1.00 41.35 H new ATOM 413 N SER A 29 -10.587 4.841 9.724 1.00 71.12 N ATOM 414 CA SER A 29 -11.342 6.083 9.613 1.00 64.00 C ATOM 415 C SER A 29 -10.499 7.210 8.993 1.00 64.25 C ATOM 416 O SER A 29 -10.962 8.346 8.874 1.00 51.51 O ATOM 417 CB SER A 29 -11.840 6.487 11.006 1.00 24.14 C ATOM 418 OG SER A 29 -12.513 5.402 11.631 1.00 5.44 O ATOM 0 H SER A 29 -10.265 4.636 10.670 1.00 71.12 H new ATOM 0 HA SER A 29 -12.190 5.918 8.948 1.00 64.00 H new ATOM 0 HB2 SER A 29 -10.998 6.803 11.622 1.00 24.14 H new ATOM 0 HB3 SER A 29 -12.513 7.341 10.924 1.00 24.14 H new ATOM 0 HG SER A 29 -12.822 5.677 12.519 1.00 5.44 H new ATOM 424 N GLU A 30 -9.253 6.904 8.623 1.00 14.24 N ATOM 425 CA GLU A 30 -8.378 7.883 7.968 1.00 13.53 C ATOM 426 C GLU A 30 -8.080 7.475 6.528 1.00 3.40 C ATOM 427 O GLU A 30 -7.459 8.232 5.784 1.00 15.43 O ATOM 428 CB GLU A 30 -7.060 8.030 8.736 1.00 34.55 C ATOM 429 CG GLU A 30 -7.243 8.338 10.212 1.00 73.42 C ATOM 430 CD GLU A 30 -5.933 8.620 10.925 1.00 5.43 C ATOM 431 OE1 GLU A 30 -5.176 7.665 11.188 1.00 15.54 O ATOM 432 OE2 GLU A 30 -5.661 9.799 11.242 1.00 34.23 O ATOM 0 H GLU A 30 -8.827 5.988 8.765 1.00 14.24 H new ATOM 0 HA GLU A 30 -8.901 8.839 7.964 1.00 13.53 H new ATOM 0 HB2 GLU A 30 -6.486 7.109 8.635 1.00 34.55 H new ATOM 0 HB3 GLU A 30 -6.470 8.825 8.279 1.00 34.55 H new ATOM 0 HG2 GLU A 30 -7.902 9.200 10.319 1.00 73.42 H new ATOM 0 HG3 GLU A 30 -7.739 7.496 10.695 1.00 73.42 H new ATOM 439 N PHE A 31 -8.533 6.281 6.147 1.00 61.43 N ATOM 440 CA PHE A 31 -8.195 5.691 4.850 1.00 62.11 C ATOM 441 C PHE A 31 -8.444 6.674 3.705 1.00 72.31 C ATOM 442 O PHE A 31 -7.510 7.075 3.004 1.00 33.15 O ATOM 443 CB PHE A 31 -9.001 4.398 4.633 1.00 40.35 C ATOM 444 CG PHE A 31 -8.721 3.710 3.319 1.00 21.15 C ATOM 445 CD1 PHE A 31 -7.549 2.986 3.136 1.00 4.14 C ATOM 446 CD2 PHE A 31 -9.629 3.782 2.270 1.00 22.24 C ATOM 447 CE1 PHE A 31 -7.292 2.350 1.935 1.00 1.52 C ATOM 448 CE2 PHE A 31 -9.374 3.148 1.070 1.00 32.22 C ATOM 449 CZ PHE A 31 -8.206 2.432 0.902 1.00 22.01 C ATOM 0 H PHE A 31 -9.140 5.698 6.723 1.00 61.43 H new ATOM 0 HA PHE A 31 -7.131 5.453 4.855 1.00 62.11 H new ATOM 0 HB2 PHE A 31 -8.783 3.706 5.447 1.00 40.35 H new ATOM 0 HB3 PHE A 31 -10.064 4.632 4.689 1.00 40.35 H new ATOM 0 HD1 PHE A 31 -6.831 2.919 3.940 1.00 4.14 H new ATOM 0 HD2 PHE A 31 -10.545 4.340 2.394 1.00 22.24 H new ATOM 0 HE1 PHE A 31 -6.378 1.790 1.805 1.00 1.52 H new ATOM 0 HE2 PHE A 31 -10.089 3.212 0.263 1.00 32.22 H new ATOM 0 HZ PHE A 31 -8.007 1.936 -0.036 1.00 22.01 H new ATOM 459 N ASP A 32 -9.699 7.084 3.545 1.00 31.24 N ATOM 460 CA ASP A 32 -10.087 7.983 2.456 1.00 72.41 C ATOM 461 C ASP A 32 -9.272 9.271 2.511 1.00 1.13 C ATOM 462 O ASP A 32 -8.790 9.761 1.489 1.00 31.33 O ATOM 463 CB ASP A 32 -11.585 8.318 2.529 1.00 42.33 C ATOM 464 CG ASP A 32 -12.476 7.090 2.410 1.00 10.41 C ATOM 465 OD1 ASP A 32 -12.619 6.555 1.289 1.00 32.31 O ATOM 466 OD2 ASP A 32 -13.044 6.659 3.441 1.00 3.43 O ATOM 0 H ASP A 32 -10.468 6.809 4.156 1.00 31.24 H new ATOM 0 HA ASP A 32 -9.887 7.472 1.514 1.00 72.41 H new ATOM 0 HB2 ASP A 32 -11.793 8.821 3.473 1.00 42.33 H new ATOM 0 HB3 ASP A 32 -11.834 9.019 1.732 1.00 42.33 H new ATOM 471 N ASN A 33 -9.107 9.797 3.721 1.00 64.15 N ATOM 472 CA ASN A 33 -8.368 11.039 3.943 1.00 14.43 C ATOM 473 C ASN A 33 -6.961 10.932 3.367 1.00 61.03 C ATOM 474 O ASN A 33 -6.565 11.713 2.502 1.00 55.42 O ATOM 475 CB ASN A 33 -8.279 11.350 5.449 1.00 70.20 C ATOM 476 CG ASN A 33 -9.637 11.457 6.134 1.00 3.20 C ATOM 477 OD1 ASN A 33 -9.779 11.097 7.301 1.00 53.13 O ATOM 478 ND2 ASN A 33 -10.639 11.964 5.429 1.00 43.24 N ATOM 0 H ASN A 33 -9.479 9.378 4.573 1.00 64.15 H new ATOM 0 HA ASN A 33 -8.902 11.845 3.440 1.00 14.43 H new ATOM 0 HB2 ASN A 33 -7.696 10.570 5.938 1.00 70.20 H new ATOM 0 HB3 ASN A 33 -7.738 12.286 5.586 1.00 70.20 H new ATOM 0 HD21 ASN A 33 -11.561 12.065 5.853 1.00 43.24 H new ATOM 0 HD22 ASN A 33 -10.488 12.253 4.463 1.00 43.24 H new ATOM 485 N LYS A 34 -6.227 9.930 3.832 1.00 0.41 N ATOM 486 CA LYS A 34 -4.824 9.762 3.472 1.00 50.42 C ATOM 487 C LYS A 34 -4.672 9.454 1.981 1.00 64.24 C ATOM 488 O LYS A 34 -3.742 9.934 1.334 1.00 22.20 O ATOM 489 CB LYS A 34 -4.194 8.652 4.329 1.00 5.14 C ATOM 490 CG LYS A 34 -4.371 8.867 5.835 1.00 25.32 C ATOM 491 CD LYS A 34 -3.776 10.199 6.294 1.00 31.54 C ATOM 492 CE LYS A 34 -3.885 10.377 7.805 1.00 34.33 C ATOM 493 NZ LYS A 34 -3.548 11.760 8.230 1.00 30.13 N ATOM 0 H LYS A 34 -6.584 9.214 4.465 1.00 0.41 H new ATOM 0 HA LYS A 34 -4.300 10.697 3.669 1.00 50.42 H new ATOM 0 HB2 LYS A 34 -4.637 7.695 4.052 1.00 5.14 H new ATOM 0 HB3 LYS A 34 -3.130 8.589 4.102 1.00 5.14 H new ATOM 0 HG2 LYS A 34 -5.432 8.838 6.084 1.00 25.32 H new ATOM 0 HG3 LYS A 34 -3.894 8.050 6.377 1.00 25.32 H new ATOM 0 HD2 LYS A 34 -2.729 10.251 5.996 1.00 31.54 H new ATOM 0 HD3 LYS A 34 -4.291 11.019 5.793 1.00 31.54 H new ATOM 0 HE2 LYS A 34 -4.899 10.136 8.126 1.00 34.33 H new ATOM 0 HE3 LYS A 34 -3.218 9.673 8.302 1.00 34.33 H new ATOM 0 HZ1 LYS A 34 -3.635 11.837 9.264 1.00 30.13 H new ATOM 0 HZ2 LYS A 34 -2.572 11.982 7.947 1.00 30.13 H new ATOM 0 HZ3 LYS A 34 -4.201 12.431 7.777 1.00 30.13 H new ATOM 507 N VAL A 35 -5.603 8.676 1.436 1.00 31.33 N ATOM 508 CA VAL A 35 -5.559 8.305 0.022 1.00 74.31 C ATOM 509 C VAL A 35 -5.901 9.500 -0.877 1.00 2.34 C ATOM 510 O VAL A 35 -5.437 9.585 -2.011 1.00 43.22 O ATOM 511 CB VAL A 35 -6.509 7.116 -0.286 1.00 44.33 C ATOM 512 CG1 VAL A 35 -6.498 6.771 -1.776 1.00 22.24 C ATOM 513 CG2 VAL A 35 -6.124 5.892 0.548 1.00 63.44 C ATOM 0 H VAL A 35 -6.396 8.290 1.949 1.00 31.33 H new ATOM 0 HA VAL A 35 -4.538 7.990 -0.193 1.00 74.31 H new ATOM 0 HB VAL A 35 -7.521 7.418 -0.018 1.00 44.33 H new ATOM 0 HG11 VAL A 35 -7.172 5.935 -1.961 1.00 22.24 H new ATOM 0 HG12 VAL A 35 -6.826 7.636 -2.352 1.00 22.24 H new ATOM 0 HG13 VAL A 35 -5.488 6.496 -2.078 1.00 22.24 H new ATOM 0 HG21 VAL A 35 -6.800 5.068 0.319 1.00 63.44 H new ATOM 0 HG22 VAL A 35 -5.101 5.598 0.312 1.00 63.44 H new ATOM 0 HG23 VAL A 35 -6.196 6.137 1.608 1.00 63.44 H new ATOM 523 N THR A 36 -6.718 10.423 -0.375 1.00 5.13 N ATOM 524 CA THR A 36 -7.022 11.644 -1.123 1.00 30.34 C ATOM 525 C THR A 36 -5.966 12.724 -0.857 1.00 52.12 C ATOM 526 O THR A 36 -5.790 13.646 -1.654 1.00 75.21 O ATOM 527 CB THR A 36 -8.435 12.190 -0.791 1.00 3.31 C ATOM 528 OG1 THR A 36 -8.573 12.396 0.621 1.00 75.32 O ATOM 529 CG2 THR A 36 -9.526 11.238 -1.272 1.00 43.15 C ATOM 0 H THR A 36 -7.177 10.353 0.533 1.00 5.13 H new ATOM 0 HA THR A 36 -7.004 11.382 -2.181 1.00 30.34 H new ATOM 0 HB THR A 36 -8.549 13.141 -1.311 1.00 3.31 H new ATOM 0 HG1 THR A 36 -8.679 11.531 1.069 1.00 75.32 H new ATOM 0 HG21 THR A 36 -10.504 11.650 -1.024 1.00 43.15 H new ATOM 0 HG22 THR A 36 -9.449 11.112 -2.352 1.00 43.15 H new ATOM 0 HG23 THR A 36 -9.406 10.271 -0.784 1.00 43.15 H new ATOM 537 N SER A 37 -5.253 12.583 0.261 1.00 63.25 N ATOM 538 CA SER A 37 -4.215 13.537 0.654 1.00 5.32 C ATOM 539 C SER A 37 -2.969 13.399 -0.230 1.00 32.52 C ATOM 540 O SER A 37 -2.051 14.222 -0.154 1.00 62.33 O ATOM 541 CB SER A 37 -3.852 13.336 2.136 1.00 54.14 C ATOM 542 OG SER A 37 -2.954 14.336 2.595 1.00 4.11 O ATOM 0 H SER A 37 -5.377 11.810 0.915 1.00 63.25 H new ATOM 0 HA SER A 37 -4.607 14.545 0.517 1.00 5.32 H new ATOM 0 HB2 SER A 37 -4.760 13.357 2.739 1.00 54.14 H new ATOM 0 HB3 SER A 37 -3.402 12.352 2.271 1.00 54.14 H new ATOM 0 HG SER A 37 -2.475 14.720 1.832 1.00 4.11 H new ATOM 548 N CYS A 38 -2.926 12.353 -1.053 1.00 60.12 N ATOM 549 CA CYS A 38 -1.839 12.189 -2.009 1.00 62.24 C ATOM 550 C CYS A 38 -2.126 13.032 -3.254 1.00 30.10 C ATOM 551 O CYS A 38 -2.580 12.522 -4.277 1.00 63.35 O ATOM 552 CB CYS A 38 -1.650 10.710 -2.370 1.00 21.02 C ATOM 553 SG CYS A 38 -3.109 9.915 -3.071 1.00 52.32 S ATOM 0 H CYS A 38 -3.627 11.613 -1.076 1.00 60.12 H new ATOM 0 HA CYS A 38 -0.909 12.534 -1.558 1.00 62.24 H new ATOM 0 HB2 CYS A 38 -0.829 10.626 -3.082 1.00 21.02 H new ATOM 0 HB3 CYS A 38 -1.352 10.166 -1.474 1.00 21.02 H new ATOM 0 HG CYS A 38 -4.055 9.881 -2.180 1.00 52.32 H new ATOM 559 N ASN A 39 -1.890 14.335 -3.133 1.00 2.32 N ATOM 560 CA ASN A 39 -2.237 15.301 -4.180 1.00 41.05 C ATOM 561 C ASN A 39 -1.503 15.039 -5.498 1.00 32.43 C ATOM 562 O ASN A 39 -2.093 15.171 -6.571 1.00 42.53 O ATOM 563 CB ASN A 39 -1.939 16.733 -3.711 1.00 13.11 C ATOM 564 CG ASN A 39 -2.779 17.165 -2.518 1.00 70.30 C ATOM 565 OD1 ASN A 39 -3.148 16.352 -1.677 1.00 54.22 O ATOM 566 ND2 ASN A 39 -3.081 18.451 -2.435 1.00 54.04 N ATOM 0 H ASN A 39 -1.455 14.754 -2.311 1.00 2.32 H new ATOM 0 HA ASN A 39 -3.304 15.181 -4.366 1.00 41.05 H new ATOM 0 HB2 ASN A 39 -0.884 16.810 -3.450 1.00 13.11 H new ATOM 0 HB3 ASN A 39 -2.114 17.422 -4.537 1.00 13.11 H new ATOM 0 HD21 ASN A 39 -3.638 18.795 -1.653 1.00 54.04 H new ATOM 0 HD22 ASN A 39 -2.757 19.098 -3.153 1.00 54.04 H new ATOM 573 N ASP A 40 -0.219 14.679 -5.429 1.00 74.42 N ATOM 574 CA ASP A 40 0.594 14.553 -6.641 1.00 22.12 C ATOM 575 C ASP A 40 1.451 13.293 -6.628 1.00 34.05 C ATOM 576 O ASP A 40 2.273 13.102 -5.736 1.00 60.33 O ATOM 577 CB ASP A 40 1.519 15.772 -6.802 1.00 23.11 C ATOM 578 CG ASP A 40 0.786 17.049 -7.189 1.00 20.33 C ATOM 579 OD1 ASP A 40 0.302 17.769 -6.286 1.00 72.12 O ATOM 580 OD2 ASP A 40 0.719 17.359 -8.400 1.00 42.01 O ATOM 0 H ASP A 40 0.274 14.472 -4.561 1.00 74.42 H new ATOM 0 HA ASP A 40 -0.102 14.494 -7.478 1.00 22.12 H new ATOM 0 HB2 ASP A 40 2.052 15.939 -5.866 1.00 23.11 H new ATOM 0 HB3 ASP A 40 2.269 15.550 -7.561 1.00 23.11 H new ATOM 585 N ASN A 41 1.238 12.457 -7.639 1.00 30.23 N ATOM 586 CA ASN A 41 2.124 11.337 -7.990 1.00 52.32 C ATOM 587 C ASN A 41 2.386 10.342 -6.850 1.00 25.43 C ATOM 588 O ASN A 41 3.138 9.387 -7.041 1.00 64.44 O ATOM 589 CB ASN A 41 3.467 11.864 -8.528 1.00 1.21 C ATOM 590 CG ASN A 41 3.312 12.777 -9.739 1.00 25.41 C ATOM 591 OD1 ASN A 41 2.356 13.546 -9.843 1.00 0.04 O ATOM 592 ND2 ASN A 41 4.249 12.691 -10.669 1.00 10.10 N ATOM 0 H ASN A 41 0.429 12.535 -8.255 1.00 30.23 H new ATOM 0 HA ASN A 41 1.588 10.782 -8.759 1.00 52.32 H new ATOM 0 HB2 ASN A 41 3.981 12.407 -7.735 1.00 1.21 H new ATOM 0 HB3 ASN A 41 4.100 11.019 -8.797 1.00 1.21 H new ATOM 0 HD21 ASN A 41 4.193 13.273 -11.505 1.00 10.10 H new ATOM 0 HD22 ASN A 41 5.027 12.043 -10.550 1.00 10.10 H new ATOM 599 N ILE A 42 1.774 10.540 -5.687 1.00 10.45 N ATOM 600 CA ILE A 42 2.001 9.650 -4.552 1.00 40.22 C ATOM 601 C ILE A 42 1.156 8.386 -4.688 1.00 22.53 C ATOM 602 O ILE A 42 -0.072 8.434 -4.582 1.00 35.14 O ATOM 603 CB ILE A 42 1.686 10.342 -3.201 1.00 34.44 C ATOM 604 CG1 ILE A 42 2.583 11.575 -2.990 1.00 42.40 C ATOM 605 CG2 ILE A 42 1.840 9.360 -2.039 1.00 71.52 C ATOM 606 CD1 ILE A 42 4.063 11.258 -2.903 1.00 54.21 C ATOM 0 H ILE A 42 1.122 11.303 -5.505 1.00 10.45 H new ATOM 0 HA ILE A 42 3.058 9.386 -4.558 1.00 40.22 H new ATOM 0 HB ILE A 42 0.650 10.678 -3.231 1.00 34.44 H new ATOM 0 HG12 ILE A 42 2.420 12.274 -3.810 1.00 42.40 H new ATOM 0 HG13 ILE A 42 2.277 12.081 -2.075 1.00 42.40 H new ATOM 0 HG21 ILE A 42 1.614 9.868 -1.101 1.00 71.52 H new ATOM 0 HG22 ILE A 42 1.152 8.525 -2.175 1.00 71.52 H new ATOM 0 HG23 ILE A 42 2.864 8.986 -2.012 1.00 71.52 H new ATOM 0 HD11 ILE A 42 4.625 12.180 -2.754 1.00 54.21 H new ATOM 0 HD12 ILE A 42 4.242 10.585 -2.065 1.00 54.21 H new ATOM 0 HD13 ILE A 42 4.388 10.781 -3.828 1.00 54.21 H new ATOM 618 N LEU A 43 1.817 7.266 -4.956 1.00 53.32 N ATOM 619 CA LEU A 43 1.150 5.978 -5.057 1.00 12.24 C ATOM 620 C LEU A 43 0.958 5.400 -3.653 1.00 73.25 C ATOM 621 O LEU A 43 1.931 5.119 -2.945 1.00 44.31 O ATOM 622 CB LEU A 43 1.974 5.022 -5.946 1.00 12.32 C ATOM 623 CG LEU A 43 1.167 3.961 -6.726 1.00 13.23 C ATOM 624 CD1 LEU A 43 2.089 3.149 -7.634 1.00 11.40 C ATOM 625 CD2 LEU A 43 0.393 3.036 -5.785 1.00 73.24 C ATOM 0 H LEU A 43 2.825 7.227 -5.108 1.00 53.32 H new ATOM 0 HA LEU A 43 0.172 6.103 -5.521 1.00 12.24 H new ATOM 0 HB2 LEU A 43 2.539 5.619 -6.662 1.00 12.32 H new ATOM 0 HB3 LEU A 43 2.700 4.508 -5.317 1.00 12.32 H new ATOM 0 HG LEU A 43 0.439 4.488 -7.343 1.00 13.23 H new ATOM 0 HD11 LEU A 43 1.504 2.406 -8.176 1.00 11.40 H new ATOM 0 HD12 LEU A 43 2.578 3.815 -8.345 1.00 11.40 H new ATOM 0 HD13 LEU A 43 2.844 2.646 -7.030 1.00 11.40 H new ATOM 0 HD21 LEU A 43 -0.162 2.303 -6.371 1.00 73.24 H new ATOM 0 HD22 LEU A 43 1.091 2.520 -5.126 1.00 73.24 H new ATOM 0 HD23 LEU A 43 -0.302 3.625 -5.187 1.00 73.24 H new ATOM 637 N ILE A 44 -0.298 5.250 -3.258 1.00 34.30 N ATOM 638 CA ILE A 44 -0.652 4.741 -1.939 1.00 4.31 C ATOM 639 C ILE A 44 -0.718 3.214 -1.941 1.00 32.53 C ATOM 640 O ILE A 44 -1.556 2.621 -2.624 1.00 21.02 O ATOM 641 CB ILE A 44 -2.030 5.289 -1.477 1.00 61.23 C ATOM 642 CG1 ILE A 44 -2.054 6.827 -1.513 1.00 2.31 C ATOM 643 CG2 ILE A 44 -2.367 4.778 -0.074 1.00 72.50 C ATOM 644 CD1 ILE A 44 -1.125 7.479 -0.512 1.00 1.42 C ATOM 0 H ILE A 44 -1.102 5.478 -3.843 1.00 34.30 H new ATOM 0 HA ILE A 44 0.124 5.076 -1.251 1.00 4.31 H new ATOM 0 HB ILE A 44 -2.788 4.925 -2.170 1.00 61.23 H new ATOM 0 HG12 ILE A 44 -1.785 7.161 -2.515 1.00 2.31 H new ATOM 0 HG13 ILE A 44 -3.072 7.169 -1.326 1.00 2.31 H new ATOM 0 HG21 ILE A 44 -3.336 5.172 0.234 1.00 72.50 H new ATOM 0 HG22 ILE A 44 -2.404 3.689 -0.083 1.00 72.50 H new ATOM 0 HG23 ILE A 44 -1.601 5.109 0.628 1.00 72.50 H new ATOM 0 HD11 ILE A 44 -1.199 8.563 -0.599 1.00 1.42 H new ATOM 0 HD12 ILE A 44 -1.406 7.176 0.497 1.00 1.42 H new ATOM 0 HD13 ILE A 44 -0.099 7.168 -0.711 1.00 1.42 H new ATOM 656 N LEU A 45 0.174 2.583 -1.194 1.00 71.20 N ATOM 657 CA LEU A 45 0.106 1.146 -0.952 1.00 1.33 C ATOM 658 C LEU A 45 -0.454 0.917 0.448 1.00 32.33 C ATOM 659 O LEU A 45 -0.245 1.741 1.332 1.00 62.35 O ATOM 660 CB LEU A 45 1.491 0.481 -1.084 1.00 32.21 C ATOM 661 CG LEU A 45 2.108 0.474 -2.498 1.00 41.34 C ATOM 662 CD1 LEU A 45 2.542 1.876 -2.924 1.00 24.42 C ATOM 663 CD2 LEU A 45 3.284 -0.501 -2.561 1.00 64.02 C ATOM 0 H LEU A 45 0.961 3.046 -0.740 1.00 71.20 H new ATOM 0 HA LEU A 45 -0.543 0.692 -1.701 1.00 1.33 H new ATOM 0 HB2 LEU A 45 2.181 0.989 -0.411 1.00 32.21 H new ATOM 0 HB3 LEU A 45 1.411 -0.550 -0.739 1.00 32.21 H new ATOM 0 HG LEU A 45 1.342 0.141 -3.198 1.00 41.34 H new ATOM 0 HD11 LEU A 45 2.972 1.835 -3.925 1.00 24.42 H new ATOM 0 HD12 LEU A 45 1.677 2.539 -2.928 1.00 24.42 H new ATOM 0 HD13 LEU A 45 3.287 2.255 -2.224 1.00 24.42 H new ATOM 0 HD21 LEU A 45 3.709 -0.495 -3.565 1.00 64.02 H new ATOM 0 HD22 LEU A 45 4.046 -0.199 -1.843 1.00 64.02 H new ATOM 0 HD23 LEU A 45 2.937 -1.506 -2.320 1.00 64.02 H new ATOM 675 N VAL A 46 -1.182 -0.178 0.639 1.00 61.12 N ATOM 676 CA VAL A 46 -1.765 -0.499 1.944 1.00 22.15 C ATOM 677 C VAL A 46 -1.510 -1.963 2.302 1.00 45.03 C ATOM 678 O VAL A 46 -2.127 -2.857 1.725 1.00 73.42 O ATOM 679 CB VAL A 46 -3.294 -0.223 1.979 1.00 51.11 C ATOM 680 CG1 VAL A 46 -3.878 -0.537 3.357 1.00 42.14 C ATOM 681 CG2 VAL A 46 -3.602 1.222 1.578 1.00 5.20 C ATOM 0 H VAL A 46 -1.385 -0.861 -0.091 1.00 61.12 H new ATOM 0 HA VAL A 46 -1.282 0.148 2.676 1.00 22.15 H new ATOM 0 HB VAL A 46 -3.766 -0.884 1.252 1.00 51.11 H new ATOM 0 HG11 VAL A 46 -4.949 -0.335 3.353 1.00 42.14 H new ATOM 0 HG12 VAL A 46 -3.708 -1.587 3.594 1.00 42.14 H new ATOM 0 HG13 VAL A 46 -3.394 0.087 4.108 1.00 42.14 H new ATOM 0 HG21 VAL A 46 -4.679 1.387 1.611 1.00 5.20 H new ATOM 0 HG22 VAL A 46 -3.109 1.905 2.270 1.00 5.20 H new ATOM 0 HG23 VAL A 46 -3.238 1.404 0.567 1.00 5.20 H new ATOM 691 N ASP A 47 -0.600 -2.201 3.243 1.00 14.10 N ATOM 692 CA ASP A 47 -0.258 -3.561 3.665 1.00 55.42 C ATOM 693 C ASP A 47 -1.076 -3.964 4.891 1.00 52.00 C ATOM 694 O ASP A 47 -1.380 -3.135 5.752 1.00 12.44 O ATOM 695 CB ASP A 47 1.246 -3.681 3.973 1.00 63.00 C ATOM 696 CG ASP A 47 1.678 -2.849 5.173 1.00 0.02 C ATOM 697 OD1 ASP A 47 1.851 -1.622 5.014 1.00 4.22 O ATOM 698 OD2 ASP A 47 1.845 -3.421 6.277 1.00 74.23 O ATOM 0 H ASP A 47 -0.084 -1.469 3.730 1.00 14.10 H new ATOM 0 HA ASP A 47 -0.497 -4.236 2.843 1.00 55.42 H new ATOM 0 HB2 ASP A 47 1.491 -4.727 4.157 1.00 63.00 H new ATOM 0 HB3 ASP A 47 1.816 -3.369 3.098 1.00 63.00 H new ATOM 703 N PHE A 48 -1.472 -5.232 4.941 1.00 5.41 N ATOM 704 CA PHE A 48 -2.193 -5.765 6.095 1.00 23.03 C ATOM 705 C PHE A 48 -1.283 -6.621 6.981 1.00 3.14 C ATOM 706 O PHE A 48 -0.098 -6.798 6.693 1.00 61.43 O ATOM 707 CB PHE A 48 -3.426 -6.557 5.636 1.00 25.43 C ATOM 708 CG PHE A 48 -4.521 -5.672 5.088 1.00 5.24 C ATOM 709 CD1 PHE A 48 -4.559 -5.333 3.741 1.00 35.33 C ATOM 710 CD2 PHE A 48 -5.506 -5.166 5.927 1.00 14.32 C ATOM 711 CE1 PHE A 48 -5.554 -4.513 3.246 1.00 42.10 C ATOM 712 CE2 PHE A 48 -6.501 -4.342 5.434 1.00 22.54 C ATOM 713 CZ PHE A 48 -6.525 -4.016 4.093 1.00 32.50 C ATOM 0 H PHE A 48 -1.307 -5.910 4.197 1.00 5.41 H new ATOM 0 HA PHE A 48 -2.530 -4.923 6.700 1.00 23.03 H new ATOM 0 HB2 PHE A 48 -3.127 -7.274 4.871 1.00 25.43 H new ATOM 0 HB3 PHE A 48 -3.816 -7.132 6.476 1.00 25.43 H new ATOM 0 HD1 PHE A 48 -3.801 -5.715 3.073 1.00 35.33 H new ATOM 0 HD2 PHE A 48 -5.494 -5.419 6.977 1.00 14.32 H new ATOM 0 HE1 PHE A 48 -5.573 -4.260 2.196 1.00 42.10 H new ATOM 0 HE2 PHE A 48 -7.259 -3.954 6.098 1.00 22.54 H new ATOM 0 HZ PHE A 48 -7.302 -3.373 3.707 1.00 32.50 H new ATOM 723 N TRP A 49 -1.856 -7.138 8.066 1.00 51.44 N ATOM 724 CA TRP A 49 -1.107 -7.886 9.076 1.00 23.11 C ATOM 725 C TRP A 49 -0.818 -9.314 8.608 1.00 2.54 C ATOM 726 O TRP A 49 -1.399 -9.785 7.632 1.00 65.21 O ATOM 727 CB TRP A 49 -1.898 -7.923 10.392 1.00 5.12 C ATOM 728 CG TRP A 49 -2.187 -6.567 10.971 1.00 4.44 C ATOM 729 CD1 TRP A 49 -2.982 -5.592 10.435 1.00 32.10 C ATOM 730 CD2 TRP A 49 -1.700 -6.045 12.214 1.00 44.43 C ATOM 731 NE1 TRP A 49 -3.002 -4.496 11.259 1.00 70.11 N ATOM 732 CE2 TRP A 49 -2.228 -4.749 12.357 1.00 31.25 C ATOM 733 CE3 TRP A 49 -0.868 -6.547 13.217 1.00 52.33 C ATOM 734 CZ2 TRP A 49 -1.950 -3.950 13.461 1.00 2.55 C ATOM 735 CZ3 TRP A 49 -0.592 -5.753 14.313 1.00 25.42 C ATOM 736 CH2 TRP A 49 -1.134 -4.468 14.427 1.00 74.45 C ATOM 0 H TRP A 49 -2.851 -7.051 8.270 1.00 51.44 H new ATOM 0 HA TRP A 49 -0.155 -7.379 9.234 1.00 23.11 H new ATOM 0 HB2 TRP A 49 -2.841 -8.443 10.222 1.00 5.12 H new ATOM 0 HB3 TRP A 49 -1.339 -8.507 11.123 1.00 5.12 H new ATOM 0 HD1 TRP A 49 -3.516 -5.673 9.500 1.00 32.10 H new ATOM 0 HE1 TRP A 49 -3.512 -3.631 11.081 1.00 70.11 H new ATOM 0 HE3 TRP A 49 -0.448 -7.539 13.137 1.00 52.33 H new ATOM 0 HZ2 TRP A 49 -2.364 -2.957 13.551 1.00 2.55 H new ATOM 0 HZ3 TRP A 49 0.052 -6.130 15.094 1.00 25.42 H new ATOM 0 HH2 TRP A 49 -0.902 -3.872 15.298 1.00 74.45 H new ATOM 747 N ALA A 50 0.073 -9.998 9.326 1.00 54.40 N ATOM 748 CA ALA A 50 0.432 -11.378 9.011 1.00 2.30 C ATOM 749 C ALA A 50 1.062 -12.064 10.224 1.00 51.30 C ATOM 750 O ALA A 50 2.263 -11.933 10.464 1.00 54.15 O ATOM 751 CB ALA A 50 1.375 -11.425 7.811 1.00 65.40 C ATOM 0 H ALA A 50 0.562 -9.614 10.135 1.00 54.40 H new ATOM 0 HA ALA A 50 -0.478 -11.919 8.752 1.00 2.30 H new ATOM 0 HB1 ALA A 50 1.632 -12.461 7.591 1.00 65.40 H new ATOM 0 HB2 ALA A 50 0.884 -10.981 6.945 1.00 65.40 H new ATOM 0 HB3 ALA A 50 2.283 -10.867 8.040 1.00 65.40 H new ATOM 757 N PRO A 51 0.248 -12.765 11.038 1.00 11.01 N ATOM 758 CA PRO A 51 0.753 -13.546 12.176 1.00 51.23 C ATOM 759 C PRO A 51 1.550 -14.762 11.705 1.00 50.21 C ATOM 760 O PRO A 51 2.573 -15.122 12.294 1.00 13.53 O ATOM 761 CB PRO A 51 -0.525 -13.974 12.913 1.00 10.11 C ATOM 762 CG PRO A 51 -1.591 -13.953 11.870 1.00 5.02 C ATOM 763 CD PRO A 51 -1.224 -12.834 10.931 1.00 44.43 C ATOM 0 HA PRO A 51 1.437 -12.978 12.806 1.00 51.23 H new ATOM 0 HB2 PRO A 51 -0.417 -14.967 13.348 1.00 10.11 H new ATOM 0 HB3 PRO A 51 -0.758 -13.292 13.730 1.00 10.11 H new ATOM 0 HG2 PRO A 51 -1.641 -14.906 11.343 1.00 5.02 H new ATOM 0 HG3 PRO A 51 -2.571 -13.784 12.316 1.00 5.02 H new ATOM 0 HD2 PRO A 51 -1.543 -13.045 9.910 1.00 44.43 H new ATOM 0 HD3 PRO A 51 -1.692 -11.894 11.223 1.00 44.43 H new ATOM 771 N TRP A 52 1.075 -15.372 10.623 1.00 70.22 N ATOM 772 CA TRP A 52 1.728 -16.525 10.017 1.00 61.11 C ATOM 773 C TRP A 52 1.624 -16.420 8.500 1.00 64.01 C ATOM 774 O TRP A 52 0.590 -16.001 7.975 1.00 24.44 O ATOM 775 CB TRP A 52 1.085 -17.834 10.500 1.00 30.14 C ATOM 776 CG TRP A 52 1.724 -19.064 9.914 1.00 74.14 C ATOM 777 CD1 TRP A 52 2.866 -19.675 10.345 1.00 42.12 C ATOM 778 CD2 TRP A 52 1.261 -19.827 8.791 1.00 12.23 C ATOM 779 NE1 TRP A 52 3.144 -20.766 9.558 1.00 50.34 N ATOM 780 CE2 TRP A 52 2.175 -20.881 8.596 1.00 74.11 C ATOM 781 CE3 TRP A 52 0.168 -19.717 7.929 1.00 71.42 C ATOM 782 CZ2 TRP A 52 2.024 -21.822 7.579 1.00 2.13 C ATOM 783 CZ3 TRP A 52 0.019 -20.651 6.918 1.00 1.42 C ATOM 784 CH2 TRP A 52 0.944 -21.691 6.749 1.00 63.30 C ATOM 0 H TRP A 52 0.225 -15.079 10.142 1.00 70.22 H new ATOM 0 HA TRP A 52 2.777 -16.534 10.314 1.00 61.11 H new ATOM 0 HB2 TRP A 52 1.149 -17.883 11.587 1.00 30.14 H new ATOM 0 HB3 TRP A 52 0.026 -17.826 10.244 1.00 30.14 H new ATOM 0 HD1 TRP A 52 3.464 -19.348 11.183 1.00 42.12 H new ATOM 0 HE1 TRP A 52 3.943 -21.390 9.671 1.00 50.34 H new ATOM 0 HE3 TRP A 52 -0.548 -18.918 8.049 1.00 71.42 H new ATOM 0 HZ2 TRP A 52 2.734 -22.626 7.451 1.00 2.13 H new ATOM 0 HZ3 TRP A 52 -0.825 -20.577 6.248 1.00 1.42 H new ATOM 0 HH2 TRP A 52 0.801 -22.402 5.949 1.00 63.30 H new ATOM 795 N CYS A 53 2.697 -16.794 7.808 1.00 3.51 N ATOM 796 CA CYS A 53 2.748 -16.729 6.349 1.00 1.34 C ATOM 797 C CYS A 53 4.108 -17.214 5.859 1.00 12.40 C ATOM 798 O CYS A 53 4.195 -18.136 5.045 1.00 43.24 O ATOM 799 CB CYS A 53 2.493 -15.296 5.866 1.00 1.35 C ATOM 800 SG CYS A 53 3.584 -14.063 6.641 1.00 64.32 S ATOM 0 H CYS A 53 3.551 -17.149 8.239 1.00 3.51 H new ATOM 0 HA CYS A 53 1.969 -17.374 5.941 1.00 1.34 H new ATOM 0 HB2 CYS A 53 2.624 -15.257 4.785 1.00 1.35 H new ATOM 0 HB3 CYS A 53 1.456 -15.031 6.071 1.00 1.35 H new ATOM 805 N GLY A 54 5.170 -16.588 6.367 1.00 52.43 N ATOM 806 CA GLY A 54 6.523 -16.996 6.024 1.00 32.22 C ATOM 807 C GLY A 54 7.341 -15.870 5.407 1.00 34.25 C ATOM 808 O GLY A 54 7.957 -15.083 6.130 1.00 53.42 O ATOM 0 H GLY A 54 5.115 -15.801 7.014 1.00 52.43 H new ATOM 0 HA2 GLY A 54 7.027 -17.356 6.921 1.00 32.22 H new ATOM 0 HA3 GLY A 54 6.479 -17.832 5.326 1.00 32.22 H new ATOM 812 N PRO A 55 7.334 -15.753 4.062 1.00 54.54 N ATOM 813 CA PRO A 55 8.177 -14.787 3.325 1.00 3.12 C ATOM 814 C PRO A 55 7.975 -13.333 3.762 1.00 20.02 C ATOM 815 O PRO A 55 8.811 -12.476 3.472 1.00 64.41 O ATOM 816 CB PRO A 55 7.738 -14.971 1.863 1.00 61.13 C ATOM 817 CG PRO A 55 7.161 -16.345 1.808 1.00 11.14 C ATOM 818 CD PRO A 55 6.508 -16.565 3.143 1.00 62.10 C ATOM 0 HA PRO A 55 9.235 -14.976 3.504 1.00 3.12 H new ATOM 0 HB2 PRO A 55 7.002 -14.221 1.574 1.00 61.13 H new ATOM 0 HB3 PRO A 55 8.582 -14.869 1.181 1.00 61.13 H new ATOM 0 HG2 PRO A 55 6.437 -16.433 0.998 1.00 11.14 H new ATOM 0 HG3 PRO A 55 7.937 -17.088 1.624 1.00 11.14 H new ATOM 0 HD2 PRO A 55 5.468 -16.238 3.141 1.00 62.10 H new ATOM 0 HD3 PRO A 55 6.511 -17.618 3.424 1.00 62.10 H new ATOM 826 N CYS A 56 6.875 -13.064 4.468 1.00 51.12 N ATOM 827 CA CYS A 56 6.526 -11.703 4.889 1.00 45.43 C ATOM 828 C CYS A 56 7.696 -11.017 5.595 1.00 63.34 C ATOM 829 O CYS A 56 7.853 -9.797 5.507 1.00 21.01 O ATOM 830 CB CYS A 56 5.307 -11.729 5.813 1.00 61.12 C ATOM 831 SG CYS A 56 3.919 -12.713 5.166 1.00 21.11 S ATOM 0 H CYS A 56 6.206 -13.775 4.762 1.00 51.12 H new ATOM 0 HA CYS A 56 6.288 -11.131 3.992 1.00 45.43 H new ATOM 0 HB2 CYS A 56 5.605 -12.130 6.782 1.00 61.12 H new ATOM 0 HB3 CYS A 56 4.968 -10.707 5.982 1.00 61.12 H new ATOM 836 N ARG A 57 8.525 -11.812 6.273 1.00 53.41 N ATOM 837 CA ARG A 57 9.690 -11.283 6.983 1.00 23.13 C ATOM 838 C ARG A 57 10.588 -10.486 6.037 1.00 12.02 C ATOM 839 O ARG A 57 11.108 -9.438 6.406 1.00 54.44 O ATOM 840 CB ARG A 57 10.491 -12.415 7.645 1.00 21.40 C ATOM 841 CG ARG A 57 10.924 -13.523 6.685 1.00 21.11 C ATOM 842 CD ARG A 57 11.939 -14.459 7.332 1.00 30.12 C ATOM 843 NE ARG A 57 13.205 -13.771 7.613 1.00 52.45 N ATOM 844 CZ ARG A 57 13.998 -14.036 8.654 1.00 22.12 C ATOM 845 NH1 ARG A 57 13.670 -14.981 9.522 1.00 62.11 N ATOM 846 NH2 ARG A 57 15.124 -13.355 8.818 1.00 23.03 N ATOM 0 H ARG A 57 8.411 -12.823 6.345 1.00 53.41 H new ATOM 0 HA ARG A 57 9.328 -10.614 7.764 1.00 23.13 H new ATOM 0 HB2 ARG A 57 11.378 -11.990 8.115 1.00 21.40 H new ATOM 0 HB3 ARG A 57 9.888 -12.854 8.440 1.00 21.40 H new ATOM 0 HG2 ARG A 57 10.051 -14.094 6.369 1.00 21.11 H new ATOM 0 HG3 ARG A 57 11.356 -13.080 5.788 1.00 21.11 H new ATOM 0 HD2 ARG A 57 11.528 -14.858 8.259 1.00 30.12 H new ATOM 0 HD3 ARG A 57 12.124 -15.308 6.674 1.00 30.12 H new ATOM 0 HE ARG A 57 13.500 -13.039 6.967 1.00 52.45 H new ATOM 0 HH11 ARG A 57 12.807 -15.511 9.397 1.00 62.11 H new ATOM 0 HH12 ARG A 57 14.280 -15.179 10.315 1.00 62.11 H new ATOM 0 HH21 ARG A 57 15.383 -12.630 8.149 1.00 23.03 H new ATOM 0 HH22 ARG A 57 15.731 -13.556 9.613 1.00 23.03 H new ATOM 860 N SER A 58 10.770 -10.995 4.822 1.00 63.51 N ATOM 861 CA SER A 58 11.549 -10.303 3.799 1.00 52.23 C ATOM 862 C SER A 58 10.755 -9.130 3.215 1.00 22.23 C ATOM 863 O SER A 58 11.315 -8.077 2.887 1.00 71.31 O ATOM 864 CB SER A 58 11.940 -11.283 2.688 1.00 20.02 C ATOM 865 OG SER A 58 12.594 -12.424 3.222 1.00 2.14 O ATOM 0 H SER A 58 10.386 -11.890 4.520 1.00 63.51 H new ATOM 0 HA SER A 58 12.454 -9.908 4.260 1.00 52.23 H new ATOM 0 HB2 SER A 58 11.049 -11.593 2.142 1.00 20.02 H new ATOM 0 HB3 SER A 58 12.595 -10.785 1.973 1.00 20.02 H new ATOM 0 HG SER A 58 12.832 -13.035 2.494 1.00 2.14 H new ATOM 871 N LEU A 59 9.443 -9.319 3.105 1.00 45.13 N ATOM 872 CA LEU A 59 8.562 -8.329 2.489 1.00 50.14 C ATOM 873 C LEU A 59 8.642 -6.982 3.204 1.00 71.32 C ATOM 874 O LEU A 59 8.700 -5.946 2.552 1.00 52.40 O ATOM 875 CB LEU A 59 7.106 -8.836 2.464 1.00 35.24 C ATOM 876 CG LEU A 59 6.708 -9.670 1.230 1.00 51.52 C ATOM 877 CD1 LEU A 59 6.624 -8.785 -0.008 1.00 3.32 C ATOM 878 CD2 LEU A 59 7.688 -10.822 1.005 1.00 61.20 C ATOM 0 H LEU A 59 8.963 -10.155 3.437 1.00 45.13 H new ATOM 0 HA LEU A 59 8.901 -8.183 1.463 1.00 50.14 H new ATOM 0 HB2 LEU A 59 6.935 -9.438 3.357 1.00 35.24 H new ATOM 0 HB3 LEU A 59 6.440 -7.975 2.528 1.00 35.24 H new ATOM 0 HG LEU A 59 5.724 -10.100 1.415 1.00 51.52 H new ATOM 0 HD11 LEU A 59 6.342 -9.390 -0.869 1.00 3.32 H new ATOM 0 HD12 LEU A 59 5.876 -8.008 0.150 1.00 3.32 H new ATOM 0 HD13 LEU A 59 7.594 -8.323 -0.191 1.00 3.32 H new ATOM 0 HD21 LEU A 59 7.383 -11.393 0.128 1.00 61.20 H new ATOM 0 HD22 LEU A 59 8.690 -10.422 0.847 1.00 61.20 H new ATOM 0 HD23 LEU A 59 7.691 -11.473 1.879 1.00 61.20 H new ATOM 890 N GLU A 60 8.658 -7.002 4.538 1.00 11.41 N ATOM 891 CA GLU A 60 8.690 -5.761 5.322 1.00 45.52 C ATOM 892 C GLU A 60 9.881 -4.871 4.902 1.00 65.41 C ATOM 893 O GLU A 60 9.671 -3.749 4.426 1.00 4.31 O ATOM 894 CB GLU A 60 8.715 -6.065 6.834 1.00 33.05 C ATOM 895 CG GLU A 60 7.496 -6.841 7.325 1.00 72.34 C ATOM 896 CD GLU A 60 7.646 -7.339 8.758 1.00 24.23 C ATOM 897 OE1 GLU A 60 8.200 -8.443 8.951 1.00 50.41 O ATOM 898 OE2 GLU A 60 7.218 -6.634 9.700 1.00 30.14 O ATOM 0 H GLU A 60 8.649 -7.855 5.097 1.00 11.41 H new ATOM 0 HA GLU A 60 7.776 -5.204 5.114 1.00 45.52 H new ATOM 0 HB2 GLU A 60 9.615 -6.635 7.066 1.00 33.05 H new ATOM 0 HB3 GLU A 60 8.782 -5.126 7.383 1.00 33.05 H new ATOM 0 HG2 GLU A 60 6.615 -6.203 7.258 1.00 72.34 H new ATOM 0 HG3 GLU A 60 7.324 -7.692 6.666 1.00 72.34 H new ATOM 905 N PRO A 61 11.147 -5.348 5.033 1.00 31.20 N ATOM 906 CA PRO A 61 12.313 -4.569 4.600 1.00 11.40 C ATOM 907 C PRO A 61 12.290 -4.280 3.098 1.00 71.12 C ATOM 908 O PRO A 61 12.727 -3.211 2.669 1.00 44.14 O ATOM 909 CB PRO A 61 13.521 -5.444 4.978 1.00 73.34 C ATOM 910 CG PRO A 61 12.971 -6.817 5.150 1.00 1.21 C ATOM 911 CD PRO A 61 11.551 -6.642 5.617 1.00 13.42 C ATOM 0 HA PRO A 61 12.339 -3.588 5.075 1.00 11.40 H new ATOM 0 HB2 PRO A 61 14.283 -5.420 4.199 1.00 73.34 H new ATOM 0 HB3 PRO A 61 13.991 -5.091 5.896 1.00 73.34 H new ATOM 0 HG2 PRO A 61 13.007 -7.372 4.212 1.00 1.21 H new ATOM 0 HG3 PRO A 61 13.554 -7.382 5.877 1.00 1.21 H new ATOM 0 HD2 PRO A 61 10.913 -7.455 5.270 1.00 13.42 H new ATOM 0 HD3 PRO A 61 11.486 -6.628 6.705 1.00 13.42 H new ATOM 919 N GLN A 62 11.776 -5.220 2.294 1.00 30.21 N ATOM 920 CA GLN A 62 11.679 -4.997 0.848 1.00 42.21 C ATOM 921 C GLN A 62 10.730 -3.839 0.539 1.00 13.13 C ATOM 922 O GLN A 62 10.990 -3.035 -0.362 1.00 63.11 O ATOM 923 CB GLN A 62 11.232 -6.262 0.099 1.00 50.12 C ATOM 924 CG GLN A 62 12.246 -7.405 0.153 1.00 63.31 C ATOM 925 CD GLN A 62 12.279 -8.225 -1.126 1.00 61.35 C ATOM 926 OE1 GLN A 62 13.029 -7.912 -2.053 1.00 54.23 O ATOM 927 NE2 GLN A 62 11.467 -9.270 -1.188 1.00 70.14 N ATOM 0 H GLN A 62 11.428 -6.124 2.613 1.00 30.21 H new ATOM 0 HA GLN A 62 12.678 -4.739 0.497 1.00 42.21 H new ATOM 0 HB2 GLN A 62 10.288 -6.607 0.520 1.00 50.12 H new ATOM 0 HB3 GLN A 62 11.042 -6.007 -0.944 1.00 50.12 H new ATOM 0 HG2 GLN A 62 13.238 -6.995 0.342 1.00 63.31 H new ATOM 0 HG3 GLN A 62 12.006 -8.058 0.992 1.00 63.31 H new ATOM 0 HE21 GLN A 62 10.862 -9.494 -0.398 1.00 70.14 H new ATOM 0 HE22 GLN A 62 11.446 -9.851 -2.026 1.00 70.14 H new ATOM 936 N LEU A 63 9.644 -3.746 1.299 1.00 1.24 N ATOM 937 CA LEU A 63 8.682 -2.664 1.134 1.00 44.11 C ATOM 938 C LEU A 63 9.309 -1.348 1.567 1.00 42.10 C ATOM 939 O LEU A 63 9.154 -0.328 0.896 1.00 41.43 O ATOM 940 CB LEU A 63 7.399 -2.932 1.937 1.00 51.22 C ATOM 941 CG LEU A 63 6.521 -4.086 1.418 1.00 42.10 C ATOM 942 CD1 LEU A 63 5.295 -4.276 2.311 1.00 22.43 C ATOM 943 CD2 LEU A 63 6.104 -3.842 -0.032 1.00 20.01 C ATOM 0 H LEU A 63 9.408 -4.409 2.037 1.00 1.24 H new ATOM 0 HA LEU A 63 8.410 -2.605 0.080 1.00 44.11 H new ATOM 0 HB2 LEU A 63 7.675 -3.145 2.970 1.00 51.22 H new ATOM 0 HB3 LEU A 63 6.801 -2.021 1.948 1.00 51.22 H new ATOM 0 HG LEU A 63 7.110 -5.002 1.450 1.00 42.10 H new ATOM 0 HD11 LEU A 63 4.688 -5.096 1.927 1.00 22.43 H new ATOM 0 HD12 LEU A 63 5.617 -4.508 3.326 1.00 22.43 H new ATOM 0 HD13 LEU A 63 4.704 -3.360 2.318 1.00 22.43 H new ATOM 0 HD21 LEU A 63 5.485 -4.670 -0.377 1.00 20.01 H new ATOM 0 HD22 LEU A 63 5.537 -2.913 -0.096 1.00 20.01 H new ATOM 0 HD23 LEU A 63 6.993 -3.768 -0.659 1.00 20.01 H new ATOM 955 N GLU A 64 10.032 -1.378 2.682 1.00 32.43 N ATOM 956 CA GLU A 64 10.724 -0.191 3.166 1.00 52.40 C ATOM 957 C GLU A 64 11.863 0.194 2.221 1.00 54.03 C ATOM 958 O GLU A 64 12.238 1.358 2.143 1.00 34.40 O ATOM 959 CB GLU A 64 11.256 -0.395 4.588 1.00 34.13 C ATOM 960 CG GLU A 64 10.175 -0.773 5.599 1.00 52.51 C ATOM 961 CD GLU A 64 10.490 -0.313 7.014 1.00 11.33 C ATOM 962 OE1 GLU A 64 11.664 -0.400 7.432 1.00 44.00 O ATOM 963 OE2 GLU A 64 9.567 0.170 7.700 1.00 12.21 O ATOM 0 H GLU A 64 10.153 -2.207 3.264 1.00 32.43 H new ATOM 0 HA GLU A 64 10.001 0.625 3.192 1.00 52.40 H new ATOM 0 HB2 GLU A 64 12.017 -1.176 4.574 1.00 34.13 H new ATOM 0 HB3 GLU A 64 11.746 0.521 4.918 1.00 34.13 H new ATOM 0 HG2 GLU A 64 9.226 -0.338 5.286 1.00 52.51 H new ATOM 0 HG3 GLU A 64 10.046 -1.855 5.596 1.00 52.51 H new ATOM 970 N LYS A 65 12.401 -0.793 1.508 1.00 62.11 N ATOM 971 CA LYS A 65 13.426 -0.560 0.489 1.00 33.30 C ATOM 972 C LYS A 65 12.838 0.248 -0.667 1.00 62.41 C ATOM 973 O LYS A 65 13.321 1.346 -1.013 1.00 72.52 O ATOM 974 CB LYS A 65 13.961 -1.914 -0.013 1.00 61.13 C ATOM 975 CG LYS A 65 14.784 -1.846 -1.298 1.00 10.31 C ATOM 976 CD LYS A 65 15.326 -3.221 -1.697 1.00 71.50 C ATOM 977 CE LYS A 65 14.207 -4.227 -1.960 1.00 54.24 C ATOM 978 NZ LYS A 65 14.735 -5.597 -2.198 1.00 40.15 N ATOM 0 H LYS A 65 12.141 -1.773 1.618 1.00 62.11 H new ATOM 0 HA LYS A 65 14.249 0.009 0.920 1.00 33.30 H new ATOM 0 HB2 LYS A 65 14.575 -2.358 0.771 1.00 61.13 H new ATOM 0 HB3 LYS A 65 13.117 -2.584 -0.175 1.00 61.13 H new ATOM 0 HG2 LYS A 65 14.167 -1.450 -2.105 1.00 10.31 H new ATOM 0 HG3 LYS A 65 15.614 -1.153 -1.162 1.00 10.31 H new ATOM 0 HD2 LYS A 65 15.941 -3.122 -2.591 1.00 71.50 H new ATOM 0 HD3 LYS A 65 15.973 -3.598 -0.905 1.00 71.50 H new ATOM 0 HE2 LYS A 65 13.527 -4.243 -1.109 1.00 54.24 H new ATOM 0 HE3 LYS A 65 13.627 -3.906 -2.825 1.00 54.24 H new ATOM 0 HZ1 LYS A 65 13.963 -6.288 -2.103 1.00 40.15 H new ATOM 0 HZ2 LYS A 65 15.134 -5.654 -3.157 1.00 40.15 H new ATOM 0 HZ3 LYS A 65 15.477 -5.809 -1.501 1.00 40.15 H new ATOM 992 N LEU A 66 11.773 -0.296 -1.246 1.00 64.32 N ATOM 993 CA LEU A 66 11.062 0.374 -2.323 1.00 61.22 C ATOM 994 C LEU A 66 10.554 1.725 -1.835 1.00 11.21 C ATOM 995 O LEU A 66 10.503 2.695 -2.591 1.00 75.31 O ATOM 996 CB LEU A 66 9.899 -0.493 -2.828 1.00 41.12 C ATOM 997 CG LEU A 66 10.292 -1.880 -3.356 1.00 41.31 C ATOM 998 CD1 LEU A 66 9.102 -2.551 -4.032 1.00 33.13 C ATOM 999 CD2 LEU A 66 11.486 -1.789 -4.305 1.00 20.13 C ATOM 0 H LEU A 66 11.384 -1.202 -0.985 1.00 64.32 H new ATOM 0 HA LEU A 66 11.747 0.532 -3.156 1.00 61.22 H new ATOM 0 HB2 LEU A 66 9.184 -0.622 -2.015 1.00 41.12 H new ATOM 0 HB3 LEU A 66 9.384 0.047 -3.623 1.00 41.12 H new ATOM 0 HG LEU A 66 10.592 -2.495 -2.508 1.00 41.31 H new ATOM 0 HD11 LEU A 66 9.399 -3.533 -4.400 1.00 33.13 H new ATOM 0 HD12 LEU A 66 8.291 -2.663 -3.313 1.00 33.13 H new ATOM 0 HD13 LEU A 66 8.764 -1.937 -4.867 1.00 33.13 H new ATOM 0 HD21 LEU A 66 11.743 -2.786 -4.664 1.00 20.13 H new ATOM 0 HD22 LEU A 66 11.230 -1.153 -5.153 1.00 20.13 H new ATOM 0 HD23 LEU A 66 12.339 -1.363 -3.777 1.00 20.13 H new ATOM 1011 N ALA A 67 10.209 1.782 -0.552 1.00 0.44 N ATOM 1012 CA ALA A 67 9.788 3.022 0.075 1.00 71.23 C ATOM 1013 C ALA A 67 10.936 4.017 0.056 1.00 71.12 C ATOM 1014 O ALA A 67 10.789 5.138 -0.395 1.00 14.21 O ATOM 1015 CB ALA A 67 9.346 2.771 1.510 1.00 10.35 C ATOM 0 H ALA A 67 10.214 0.976 0.074 1.00 0.44 H new ATOM 0 HA ALA A 67 8.944 3.429 -0.482 1.00 71.23 H new ATOM 0 HB1 ALA A 67 9.034 3.711 1.964 1.00 10.35 H new ATOM 0 HB2 ALA A 67 8.511 2.070 1.516 1.00 10.35 H new ATOM 0 HB3 ALA A 67 10.176 2.351 2.078 1.00 10.35 H new ATOM 1021 N GLN A 68 12.088 3.571 0.528 1.00 70.24 N ATOM 1022 CA GLN A 68 13.269 4.418 0.635 1.00 61.33 C ATOM 1023 C GLN A 68 13.639 5.044 -0.704 1.00 30.43 C ATOM 1024 O GLN A 68 13.872 6.254 -0.781 1.00 24.24 O ATOM 1025 CB GLN A 68 14.440 3.601 1.185 1.00 60.31 C ATOM 1026 CG GLN A 68 14.380 3.394 2.693 1.00 20.14 C ATOM 1027 CD GLN A 68 14.880 4.605 3.472 1.00 60.33 C ATOM 1028 OE1 GLN A 68 15.702 5.383 2.981 1.00 13.41 O ATOM 1029 NE2 GLN A 68 14.407 4.764 4.698 1.00 15.14 N ATOM 0 H GLN A 68 12.233 2.613 0.848 1.00 70.24 H new ATOM 0 HA GLN A 68 13.040 5.233 1.321 1.00 61.33 H new ATOM 0 HB2 GLN A 68 14.457 2.629 0.693 1.00 60.31 H new ATOM 0 HB3 GLN A 68 15.374 4.103 0.932 1.00 60.31 H new ATOM 0 HG2 GLN A 68 13.353 3.178 2.986 1.00 20.14 H new ATOM 0 HG3 GLN A 68 14.978 2.523 2.960 1.00 20.14 H new ATOM 0 HE21 GLN A 68 13.728 4.101 5.073 1.00 15.14 H new ATOM 0 HE22 GLN A 68 14.722 5.549 5.268 1.00 15.14 H new ATOM 1038 N GLN A 69 13.696 4.232 -1.757 1.00 24.54 N ATOM 1039 CA GLN A 69 14.084 4.748 -3.072 1.00 42.53 C ATOM 1040 C GLN A 69 12.957 5.579 -3.695 1.00 21.33 C ATOM 1041 O GLN A 69 13.203 6.623 -4.304 1.00 33.23 O ATOM 1042 CB GLN A 69 14.476 3.612 -4.028 1.00 73.33 C ATOM 1043 CG GLN A 69 15.268 4.095 -5.243 1.00 53.23 C ATOM 1044 CD GLN A 69 15.483 3.014 -6.285 1.00 62.11 C ATOM 1045 OE1 GLN A 69 16.432 2.235 -6.204 1.00 21.25 O ATOM 1046 NE2 GLN A 69 14.618 2.976 -7.284 1.00 64.13 N ATOM 0 H GLN A 69 13.484 3.235 -1.731 1.00 24.54 H new ATOM 0 HA GLN A 69 14.952 5.389 -2.919 1.00 42.53 H new ATOM 0 HB2 GLN A 69 15.069 2.877 -3.484 1.00 73.33 H new ATOM 0 HB3 GLN A 69 13.573 3.105 -4.369 1.00 73.33 H new ATOM 0 HG2 GLN A 69 14.743 4.933 -5.701 1.00 53.23 H new ATOM 0 HG3 GLN A 69 16.237 4.469 -4.912 1.00 53.23 H new ATOM 0 HE21 GLN A 69 13.844 3.640 -7.314 1.00 64.13 H new ATOM 0 HE22 GLN A 69 14.724 2.283 -8.025 1.00 64.13 H new ATOM 1055 N TYR A 70 11.720 5.122 -3.527 1.00 61.14 N ATOM 1056 CA TYR A 70 10.575 5.720 -4.214 1.00 10.22 C ATOM 1057 C TYR A 70 9.763 6.660 -3.318 1.00 71.53 C ATOM 1058 O TYR A 70 8.737 7.162 -3.745 1.00 4.50 O ATOM 1059 CB TYR A 70 9.658 4.630 -4.778 1.00 74.45 C ATOM 1060 CG TYR A 70 10.279 3.808 -5.893 1.00 33.24 C ATOM 1061 CD1 TYR A 70 10.638 4.399 -7.099 1.00 42.25 C ATOM 1062 CD2 TYR A 70 10.491 2.441 -5.745 1.00 62.01 C ATOM 1063 CE1 TYR A 70 11.188 3.654 -8.123 1.00 33.40 C ATOM 1064 CE2 TYR A 70 11.044 1.691 -6.766 1.00 35.32 C ATOM 1065 CZ TYR A 70 11.392 2.301 -7.953 1.00 64.40 C ATOM 1066 OH TYR A 70 11.934 1.557 -8.977 1.00 44.01 O ATOM 0 H TYR A 70 11.482 4.338 -2.920 1.00 61.14 H new ATOM 0 HA TYR A 70 10.985 6.320 -5.027 1.00 10.22 H new ATOM 0 HB2 TYR A 70 9.367 3.961 -3.968 1.00 74.45 H new ATOM 0 HB3 TYR A 70 8.746 5.096 -5.150 1.00 74.45 H new ATOM 0 HD1 TYR A 70 10.484 5.459 -7.237 1.00 42.25 H new ATOM 0 HD2 TYR A 70 10.219 1.958 -4.818 1.00 62.01 H new ATOM 0 HE1 TYR A 70 11.458 4.130 -9.054 1.00 33.40 H new ATOM 0 HE2 TYR A 70 11.203 0.631 -6.635 1.00 35.32 H new ATOM 0 HH TYR A 70 11.220 1.259 -9.578 1.00 44.01 H new ATOM 1076 N THR A 71 10.223 6.905 -2.094 1.00 4.20 N ATOM 1077 CA THR A 71 9.437 7.652 -1.092 1.00 74.20 C ATOM 1078 C THR A 71 8.951 9.005 -1.618 1.00 40.22 C ATOM 1079 O THR A 71 8.017 9.592 -1.065 1.00 54.25 O ATOM 1080 CB THR A 71 10.259 7.892 0.206 1.00 62.34 C ATOM 1081 OG1 THR A 71 9.460 8.559 1.196 1.00 51.44 O ATOM 1082 CG2 THR A 71 11.515 8.713 -0.074 1.00 34.23 C ATOM 0 H THR A 71 11.138 6.600 -1.763 1.00 4.20 H new ATOM 0 HA THR A 71 8.569 7.030 -0.873 1.00 74.20 H new ATOM 0 HB THR A 71 10.561 6.916 0.585 1.00 62.34 H new ATOM 0 HG1 THR A 71 9.993 8.700 2.006 1.00 51.44 H new ATOM 0 HG21 THR A 71 12.066 8.862 0.854 1.00 34.23 H new ATOM 0 HG22 THR A 71 12.144 8.183 -0.789 1.00 34.23 H new ATOM 0 HG23 THR A 71 11.232 9.681 -0.488 1.00 34.23 H new ATOM 1090 N GLU A 72 9.585 9.495 -2.672 1.00 72.41 N ATOM 1091 CA GLU A 72 9.202 10.761 -3.285 1.00 65.11 C ATOM 1092 C GLU A 72 7.841 10.637 -3.981 1.00 73.42 C ATOM 1093 O GLU A 72 7.053 11.583 -3.992 1.00 74.22 O ATOM 1094 CB GLU A 72 10.281 11.195 -4.283 1.00 73.20 C ATOM 1095 CG GLU A 72 11.688 11.200 -3.688 1.00 2.30 C ATOM 1096 CD GLU A 72 12.750 11.645 -4.680 1.00 43.10 C ATOM 1097 OE1 GLU A 72 13.106 10.849 -5.576 1.00 4.20 O ATOM 1098 OE2 GLU A 72 13.222 12.798 -4.579 1.00 3.24 O ATOM 0 H GLU A 72 10.373 9.032 -3.125 1.00 72.41 H new ATOM 0 HA GLU A 72 9.112 11.519 -2.506 1.00 65.11 H new ATOM 0 HB2 GLU A 72 10.260 10.526 -5.143 1.00 73.20 H new ATOM 0 HB3 GLU A 72 10.046 12.194 -4.650 1.00 73.20 H new ATOM 0 HG2 GLU A 72 11.708 11.861 -2.822 1.00 2.30 H new ATOM 0 HG3 GLU A 72 11.929 10.199 -3.331 1.00 2.30 H new ATOM 1105 N ASN A 73 7.575 9.460 -4.552 1.00 14.35 N ATOM 1106 CA ASN A 73 6.336 9.210 -5.300 1.00 44.01 C ATOM 1107 C ASN A 73 5.573 7.998 -4.743 1.00 54.12 C ATOM 1108 O ASN A 73 4.556 7.593 -5.303 1.00 45.24 O ATOM 1109 CB ASN A 73 6.647 8.959 -6.789 1.00 11.01 C ATOM 1110 CG ASN A 73 7.286 10.148 -7.501 1.00 72.40 C ATOM 1111 OD1 ASN A 73 8.011 10.943 -6.901 1.00 54.23 O ATOM 1112 ND2 ASN A 73 7.023 10.273 -8.795 1.00 15.14 N ATOM 0 H ASN A 73 8.205 8.659 -4.511 1.00 14.35 H new ATOM 0 HA ASN A 73 5.713 10.098 -5.193 1.00 44.01 H new ATOM 0 HB2 ASN A 73 7.313 8.100 -6.870 1.00 11.01 H new ATOM 0 HB3 ASN A 73 5.723 8.695 -7.303 1.00 11.01 H new ATOM 0 HD21 ASN A 73 7.426 11.046 -9.325 1.00 15.14 H new ATOM 0 HD22 ASN A 73 6.418 9.596 -9.260 1.00 15.14 H new ATOM 1119 N VAL A 74 6.072 7.408 -3.658 1.00 22.33 N ATOM 1120 CA VAL A 74 5.464 6.209 -3.068 1.00 22.55 C ATOM 1121 C VAL A 74 5.271 6.367 -1.560 1.00 61.21 C ATOM 1122 O VAL A 74 6.155 6.866 -0.859 1.00 43.20 O ATOM 1123 CB VAL A 74 6.329 4.942 -3.349 1.00 61.23 C ATOM 1124 CG1 VAL A 74 5.909 3.755 -2.476 1.00 74.43 C ATOM 1125 CG2 VAL A 74 6.262 4.563 -4.827 1.00 63.15 C ATOM 0 H VAL A 74 6.901 7.741 -3.165 1.00 22.33 H new ATOM 0 HA VAL A 74 4.488 6.084 -3.537 1.00 22.55 H new ATOM 0 HB VAL A 74 7.359 5.190 -3.092 1.00 61.23 H new ATOM 0 HG11 VAL A 74 6.538 2.895 -2.705 1.00 74.43 H new ATOM 0 HG12 VAL A 74 6.023 4.018 -1.424 1.00 74.43 H new ATOM 0 HG13 VAL A 74 4.867 3.507 -2.677 1.00 74.43 H new ATOM 0 HG21 VAL A 74 6.872 3.677 -5.003 1.00 63.15 H new ATOM 0 HG22 VAL A 74 5.228 4.353 -5.102 1.00 63.15 H new ATOM 0 HG23 VAL A 74 6.638 5.388 -5.432 1.00 63.15 H new ATOM 1135 N LYS A 75 4.106 5.941 -1.079 1.00 41.21 N ATOM 1136 CA LYS A 75 3.793 5.914 0.348 1.00 62.01 C ATOM 1137 C LYS A 75 3.060 4.621 0.687 1.00 30.42 C ATOM 1138 O LYS A 75 2.109 4.247 0.004 1.00 43.30 O ATOM 1139 CB LYS A 75 2.931 7.127 0.746 1.00 53.03 C ATOM 1140 CG LYS A 75 3.734 8.383 1.078 1.00 70.32 C ATOM 1141 CD LYS A 75 4.541 8.208 2.365 1.00 24.22 C ATOM 1142 CE LYS A 75 5.257 9.495 2.759 1.00 14.21 C ATOM 1143 NZ LYS A 75 5.968 9.370 4.062 1.00 41.21 N ATOM 0 H LYS A 75 3.348 5.603 -1.671 1.00 41.21 H new ATOM 0 HA LYS A 75 4.727 5.962 0.908 1.00 62.01 H new ATOM 0 HB2 LYS A 75 2.244 7.353 -0.069 1.00 53.03 H new ATOM 0 HB3 LYS A 75 2.323 6.859 1.610 1.00 53.03 H new ATOM 0 HG2 LYS A 75 4.408 8.614 0.253 1.00 70.32 H new ATOM 0 HG3 LYS A 75 3.058 9.231 1.184 1.00 70.32 H new ATOM 0 HD2 LYS A 75 3.877 7.899 3.172 1.00 24.22 H new ATOM 0 HD3 LYS A 75 5.272 7.411 2.231 1.00 24.22 H new ATOM 0 HE2 LYS A 75 5.972 9.763 1.981 1.00 14.21 H new ATOM 0 HE3 LYS A 75 4.533 10.307 2.819 1.00 14.21 H new ATOM 0 HZ1 LYS A 75 6.439 10.269 4.288 1.00 41.21 H new ATOM 0 HZ2 LYS A 75 5.283 9.140 4.810 1.00 41.21 H new ATOM 0 HZ3 LYS A 75 6.678 8.613 3.999 1.00 41.21 H new ATOM 1157 N ILE A 76 3.509 3.936 1.733 1.00 10.30 N ATOM 1158 CA ILE A 76 2.886 2.691 2.163 1.00 51.15 C ATOM 1159 C ILE A 76 2.207 2.899 3.516 1.00 74.12 C ATOM 1160 O ILE A 76 2.776 3.529 4.409 1.00 23.15 O ATOM 1161 CB ILE A 76 3.922 1.542 2.260 1.00 62.42 C ATOM 1162 CG1 ILE A 76 4.707 1.424 0.938 1.00 53.21 C ATOM 1163 CG2 ILE A 76 3.231 0.218 2.599 1.00 1.15 C ATOM 1164 CD1 ILE A 76 5.782 0.356 0.949 1.00 63.45 C ATOM 0 H ILE A 76 4.306 4.224 2.301 1.00 10.30 H new ATOM 0 HA ILE A 76 2.143 2.407 1.418 1.00 51.15 H new ATOM 0 HB ILE A 76 4.623 1.772 3.062 1.00 62.42 H new ATOM 0 HG12 ILE A 76 4.007 1.211 0.130 1.00 53.21 H new ATOM 0 HG13 ILE A 76 5.168 2.386 0.715 1.00 53.21 H new ATOM 0 HG21 ILE A 76 3.976 -0.575 2.662 1.00 1.15 H new ATOM 0 HG22 ILE A 76 2.717 0.310 3.556 1.00 1.15 H new ATOM 0 HG23 ILE A 76 2.508 -0.025 1.820 1.00 1.15 H new ATOM 0 HD11 ILE A 76 6.287 0.338 -0.017 1.00 63.45 H new ATOM 0 HD12 ILE A 76 6.506 0.577 1.733 1.00 63.45 H new ATOM 0 HD13 ILE A 76 5.327 -0.616 1.139 1.00 63.45 H new ATOM 1176 N TYR A 77 0.990 2.385 3.644 1.00 2.03 N ATOM 1177 CA TYR A 77 0.182 2.552 4.847 1.00 54.00 C ATOM 1178 C TYR A 77 -0.340 1.207 5.328 1.00 51.33 C ATOM 1179 O TYR A 77 -0.612 0.316 4.528 1.00 2.52 O ATOM 1180 CB TYR A 77 -1.009 3.486 4.574 1.00 25.14 C ATOM 1181 CG TYR A 77 -0.629 4.930 4.293 1.00 24.25 C ATOM 1182 CD1 TYR A 77 -0.357 5.367 3.000 1.00 41.30 C ATOM 1183 CD2 TYR A 77 -0.551 5.860 5.325 1.00 32.03 C ATOM 1184 CE1 TYR A 77 -0.018 6.682 2.748 1.00 53.21 C ATOM 1185 CE2 TYR A 77 -0.214 7.176 5.078 1.00 53.42 C ATOM 1186 CZ TYR A 77 0.050 7.582 3.789 1.00 73.32 C ATOM 1187 OH TYR A 77 0.390 8.891 3.542 1.00 55.40 O ATOM 0 H TYR A 77 0.533 1.838 2.914 1.00 2.03 H new ATOM 0 HA TYR A 77 0.815 2.992 5.617 1.00 54.00 H new ATOM 0 HB2 TYR A 77 -1.569 3.099 3.723 1.00 25.14 H new ATOM 0 HB3 TYR A 77 -1.678 3.461 5.434 1.00 25.14 H new ATOM 0 HD1 TYR A 77 -0.412 4.666 2.180 1.00 41.30 H new ATOM 0 HD2 TYR A 77 -0.758 5.547 6.338 1.00 32.03 H new ATOM 0 HE1 TYR A 77 0.193 7.004 1.739 1.00 53.21 H new ATOM 0 HE2 TYR A 77 -0.158 7.884 5.892 1.00 53.42 H new ATOM 0 HH TYR A 77 0.391 9.393 4.384 1.00 55.40 H new ATOM 1197 N LYS A 78 -0.490 1.076 6.634 1.00 4.32 N ATOM 1198 CA LYS A 78 -1.071 -0.116 7.234 1.00 71.50 C ATOM 1199 C LYS A 78 -2.096 0.282 8.285 1.00 12.15 C ATOM 1200 O LYS A 78 -1.932 1.300 8.968 1.00 30.32 O ATOM 1201 CB LYS A 78 0.022 -0.983 7.870 1.00 24.33 C ATOM 1202 CG LYS A 78 0.923 -0.222 8.847 1.00 41.44 C ATOM 1203 CD LYS A 78 0.995 -0.895 10.216 1.00 4.13 C ATOM 1204 CE LYS A 78 1.541 -2.315 10.130 1.00 12.13 C ATOM 1205 NZ LYS A 78 1.738 -2.909 11.480 1.00 42.22 N ATOM 0 H LYS A 78 -0.214 1.790 7.309 1.00 4.32 H new ATOM 0 HA LYS A 78 -1.564 -0.696 6.454 1.00 71.50 H new ATOM 0 HB2 LYS A 78 -0.447 -1.815 8.395 1.00 24.33 H new ATOM 0 HB3 LYS A 78 0.639 -1.412 7.080 1.00 24.33 H new ATOM 0 HG2 LYS A 78 1.927 -0.147 8.429 1.00 41.44 H new ATOM 0 HG3 LYS A 78 0.550 0.795 8.964 1.00 41.44 H new ATOM 0 HD2 LYS A 78 1.628 -0.303 10.877 1.00 4.13 H new ATOM 0 HD3 LYS A 78 0.000 -0.916 10.662 1.00 4.13 H new ATOM 0 HE2 LYS A 78 0.853 -2.936 9.556 1.00 12.13 H new ATOM 0 HE3 LYS A 78 2.489 -2.309 9.593 1.00 12.13 H new ATOM 0 HZ1 LYS A 78 2.110 -3.875 11.383 1.00 42.22 H new ATOM 0 HZ2 LYS A 78 2.413 -2.330 12.019 1.00 42.22 H new ATOM 0 HZ3 LYS A 78 0.828 -2.937 11.983 1.00 42.22 H new ATOM 1219 N ILE A 79 -3.161 -0.506 8.406 1.00 22.52 N ATOM 1220 CA ILE A 79 -4.157 -0.275 9.445 1.00 10.43 C ATOM 1221 C ILE A 79 -3.548 -0.618 10.800 1.00 51.43 C ATOM 1222 O ILE A 79 -3.247 -1.778 11.082 1.00 73.34 O ATOM 1223 CB ILE A 79 -5.447 -1.102 9.219 1.00 74.15 C ATOM 1224 CG1 ILE A 79 -6.062 -0.774 7.844 1.00 72.51 C ATOM 1225 CG2 ILE A 79 -6.453 -0.831 10.338 1.00 13.01 C ATOM 1226 CD1 ILE A 79 -7.365 -1.499 7.562 1.00 52.41 C ATOM 0 H ILE A 79 -3.355 -1.304 7.801 1.00 22.52 H new ATOM 0 HA ILE A 79 -4.443 0.776 9.411 1.00 10.43 H new ATOM 0 HB ILE A 79 -5.190 -2.161 9.235 1.00 74.15 H new ATOM 0 HG12 ILE A 79 -6.235 0.300 7.782 1.00 72.51 H new ATOM 0 HG13 ILE A 79 -5.342 -1.026 7.066 1.00 72.51 H new ATOM 0 HG21 ILE A 79 -7.355 -1.419 10.167 1.00 13.01 H new ATOM 0 HG22 ILE A 79 -6.015 -1.110 11.296 1.00 13.01 H new ATOM 0 HG23 ILE A 79 -6.707 0.229 10.350 1.00 13.01 H new ATOM 0 HD11 ILE A 79 -7.733 -1.215 6.576 1.00 52.41 H new ATOM 0 HD12 ILE A 79 -7.196 -2.575 7.590 1.00 52.41 H new ATOM 0 HD13 ILE A 79 -8.103 -1.228 8.317 1.00 52.41 H new ATOM 1238 N ASN A 80 -3.358 0.400 11.625 1.00 2.32 N ATOM 1239 CA ASN A 80 -2.595 0.265 12.865 1.00 45.13 C ATOM 1240 C ASN A 80 -3.382 -0.465 13.957 1.00 55.14 C ATOM 1241 O ASN A 80 -2.812 -0.871 14.973 1.00 34.44 O ATOM 1242 CB ASN A 80 -2.167 1.653 13.362 1.00 3.22 C ATOM 1243 CG ASN A 80 -1.118 1.585 14.457 1.00 4.05 C ATOM 1244 OD1 ASN A 80 -0.287 0.676 14.487 1.00 62.34 O ATOM 1245 ND2 ASN A 80 -1.142 2.549 15.360 1.00 40.30 N ATOM 0 H ASN A 80 -3.723 1.338 11.460 1.00 2.32 H new ATOM 0 HA ASN A 80 -1.715 -0.339 12.645 1.00 45.13 H new ATOM 0 HB2 ASN A 80 -1.775 2.230 12.524 1.00 3.22 H new ATOM 0 HB3 ASN A 80 -3.041 2.187 13.735 1.00 3.22 H new ATOM 0 HD21 ASN A 80 -0.457 2.557 16.115 1.00 40.30 H new ATOM 0 HD22 ASN A 80 -1.846 3.285 15.302 1.00 40.30 H new ATOM 1252 N ILE A 81 -4.687 -0.633 13.749 1.00 10.43 N ATOM 1253 CA ILE A 81 -5.549 -1.279 14.739 1.00 62.44 C ATOM 1254 C ILE A 81 -6.409 -2.362 14.082 1.00 74.14 C ATOM 1255 O ILE A 81 -7.208 -2.075 13.193 1.00 63.21 O ATOM 1256 CB ILE A 81 -6.474 -0.253 15.449 1.00 34.11 C ATOM 1257 CG1 ILE A 81 -5.645 0.864 16.110 1.00 1.43 C ATOM 1258 CG2 ILE A 81 -7.349 -0.952 16.487 1.00 53.24 C ATOM 1259 CD1 ILE A 81 -6.480 1.913 16.820 1.00 51.43 C ATOM 0 H ILE A 81 -5.171 -0.331 12.904 1.00 10.43 H new ATOM 0 HA ILE A 81 -4.896 -1.733 15.485 1.00 62.44 H new ATOM 0 HB ILE A 81 -7.121 0.200 14.698 1.00 34.11 H new ATOM 0 HG12 ILE A 81 -4.957 0.416 16.827 1.00 1.43 H new ATOM 0 HG13 ILE A 81 -5.038 1.352 15.347 1.00 1.43 H new ATOM 0 HG21 ILE A 81 -7.991 -0.219 16.975 1.00 53.24 H new ATOM 0 HG22 ILE A 81 -7.966 -1.704 15.996 1.00 53.24 H new ATOM 0 HG23 ILE A 81 -6.716 -1.433 17.232 1.00 53.24 H new ATOM 0 HD11 ILE A 81 -5.824 2.664 17.259 1.00 51.43 H new ATOM 0 HD12 ILE A 81 -7.150 2.390 16.105 1.00 51.43 H new ATOM 0 HD13 ILE A 81 -7.067 1.439 17.607 1.00 51.43 H new ATOM 1271 N GLU A 82 -6.248 -3.599 14.546 1.00 40.22 N ATOM 1272 CA GLU A 82 -6.971 -4.753 13.998 1.00 24.12 C ATOM 1273 C GLU A 82 -8.484 -4.646 14.241 1.00 4.30 C ATOM 1274 O GLU A 82 -9.280 -5.325 13.587 1.00 31.11 O ATOM 1275 CB GLU A 82 -6.427 -6.058 14.611 1.00 35.34 C ATOM 1276 CG GLU A 82 -6.760 -6.254 16.092 1.00 44.53 C ATOM 1277 CD GLU A 82 -6.334 -5.081 16.964 1.00 2.23 C ATOM 1278 OE1 GLU A 82 -5.118 -4.877 17.144 1.00 61.02 O ATOM 1279 OE2 GLU A 82 -7.211 -4.341 17.449 1.00 42.20 O ATOM 0 H GLU A 82 -5.615 -3.833 15.311 1.00 40.22 H new ATOM 0 HA GLU A 82 -6.809 -4.763 12.920 1.00 24.12 H new ATOM 0 HB2 GLU A 82 -6.825 -6.902 14.048 1.00 35.34 H new ATOM 0 HB3 GLU A 82 -5.344 -6.077 14.490 1.00 35.34 H new ATOM 0 HG2 GLU A 82 -7.834 -6.406 16.199 1.00 44.53 H new ATOM 0 HG3 GLU A 82 -6.272 -7.160 16.450 1.00 44.53 H new ATOM 1286 N ASP A 83 -8.873 -3.802 15.194 1.00 1.04 N ATOM 1287 CA ASP A 83 -10.288 -3.559 15.493 1.00 60.45 C ATOM 1288 C ASP A 83 -10.926 -2.753 14.362 1.00 13.32 C ATOM 1289 O ASP A 83 -12.149 -2.729 14.200 1.00 5.41 O ATOM 1290 CB ASP A 83 -10.418 -2.812 16.832 1.00 21.03 C ATOM 1291 CG ASP A 83 -11.861 -2.532 17.239 1.00 23.34 C ATOM 1292 OD1 ASP A 83 -12.511 -3.436 17.810 1.00 54.33 O ATOM 1293 OD2 ASP A 83 -12.342 -1.399 17.018 1.00 5.42 O ATOM 0 H ASP A 83 -8.226 -3.271 15.777 1.00 1.04 H new ATOM 0 HA ASP A 83 -10.809 -4.513 15.576 1.00 60.45 H new ATOM 0 HB2 ASP A 83 -9.936 -3.399 17.614 1.00 21.03 H new ATOM 0 HB3 ASP A 83 -9.879 -1.867 16.765 1.00 21.03 H new ATOM 1298 N ASN A 84 -10.073 -2.113 13.573 1.00 2.04 N ATOM 1299 CA ASN A 84 -10.486 -1.370 12.389 1.00 61.01 C ATOM 1300 C ASN A 84 -10.145 -2.194 11.148 1.00 74.40 C ATOM 1301 O ASN A 84 -8.983 -2.543 10.944 1.00 53.31 O ATOM 1302 CB ASN A 84 -9.754 -0.020 12.334 1.00 75.45 C ATOM 1303 CG ASN A 84 -10.152 0.948 13.442 1.00 53.30 C ATOM 1304 OD1 ASN A 84 -9.320 1.705 13.942 1.00 30.51 O ATOM 1305 ND2 ASN A 84 -11.421 0.955 13.817 1.00 53.42 N ATOM 0 H ASN A 84 -9.067 -2.095 13.738 1.00 2.04 H new ATOM 0 HA ASN A 84 -11.559 -1.184 12.428 1.00 61.01 H new ATOM 0 HB2 ASN A 84 -8.680 -0.198 12.390 1.00 75.45 H new ATOM 0 HB3 ASN A 84 -9.949 0.448 11.369 1.00 75.45 H new ATOM 0 HD21 ASN A 84 -11.735 1.601 14.541 1.00 53.42 H new ATOM 0 HD22 ASN A 84 -12.085 0.314 13.382 1.00 53.42 H new ATOM 1312 N GLN A 85 -11.138 -2.520 10.323 1.00 0.10 N ATOM 1313 CA GLN A 85 -10.890 -3.375 9.157 1.00 63.33 C ATOM 1314 C GLN A 85 -12.014 -3.313 8.122 1.00 32.31 C ATOM 1315 O GLN A 85 -12.063 -4.148 7.212 1.00 51.52 O ATOM 1316 CB GLN A 85 -10.665 -4.831 9.605 1.00 11.54 C ATOM 1317 CG GLN A 85 -11.793 -5.400 10.458 1.00 24.43 C ATOM 1318 CD GLN A 85 -11.542 -6.841 10.866 1.00 10.42 C ATOM 1319 OE1 GLN A 85 -11.953 -7.778 10.179 1.00 43.02 O ATOM 1320 NE2 GLN A 85 -10.854 -7.029 11.981 1.00 1.41 N ATOM 0 H GLN A 85 -12.105 -2.214 10.433 1.00 0.10 H new ATOM 0 HA GLN A 85 -9.992 -2.993 8.672 1.00 63.33 H new ATOM 0 HB2 GLN A 85 -10.541 -5.457 8.721 1.00 11.54 H new ATOM 0 HB3 GLN A 85 -9.734 -4.887 10.169 1.00 11.54 H new ATOM 0 HG2 GLN A 85 -11.913 -4.788 11.352 1.00 24.43 H new ATOM 0 HG3 GLN A 85 -12.729 -5.340 9.903 1.00 24.43 H new ATOM 0 HE21 GLN A 85 -10.531 -6.227 12.522 1.00 1.41 H new ATOM 0 HE22 GLN A 85 -10.647 -7.976 12.299 1.00 1.41 H new ATOM 1329 N ASP A 86 -12.891 -2.315 8.221 1.00 64.41 N ATOM 1330 CA ASP A 86 -13.987 -2.177 7.257 1.00 13.41 C ATOM 1331 C ASP A 86 -13.433 -2.132 5.839 1.00 12.02 C ATOM 1332 O ASP A 86 -13.961 -2.782 4.937 1.00 15.34 O ATOM 1333 CB ASP A 86 -14.841 -0.929 7.537 1.00 43.22 C ATOM 1334 CG ASP A 86 -15.978 -1.210 8.509 1.00 15.14 C ATOM 1335 OD1 ASP A 86 -17.011 -1.764 8.074 1.00 22.33 O ATOM 1336 OD2 ASP A 86 -15.844 -0.886 9.710 1.00 54.22 O ATOM 0 H ASP A 86 -12.868 -1.599 8.947 1.00 64.41 H new ATOM 0 HA ASP A 86 -14.635 -3.047 7.364 1.00 13.41 H new ATOM 0 HB2 ASP A 86 -14.206 -0.141 7.943 1.00 43.22 H new ATOM 0 HB3 ASP A 86 -15.252 -0.556 6.599 1.00 43.22 H new ATOM 1341 N VAL A 87 -12.343 -1.389 5.666 1.00 21.31 N ATOM 1342 CA VAL A 87 -11.639 -1.318 4.389 1.00 12.20 C ATOM 1343 C VAL A 87 -11.296 -2.723 3.886 1.00 22.11 C ATOM 1344 O VAL A 87 -11.421 -3.020 2.693 1.00 31.44 O ATOM 1345 CB VAL A 87 -10.338 -0.481 4.522 1.00 52.25 C ATOM 1346 CG1 VAL A 87 -9.518 -0.513 3.234 1.00 12.33 C ATOM 1347 CG2 VAL A 87 -10.665 0.958 4.917 1.00 54.25 C ATOM 0 H VAL A 87 -11.925 -0.822 6.403 1.00 21.31 H new ATOM 0 HA VAL A 87 -12.299 -0.832 3.670 1.00 12.20 H new ATOM 0 HB VAL A 87 -9.733 -0.930 5.310 1.00 52.25 H new ATOM 0 HG11 VAL A 87 -8.615 0.083 3.363 1.00 12.33 H new ATOM 0 HG12 VAL A 87 -9.244 -1.542 3.003 1.00 12.33 H new ATOM 0 HG13 VAL A 87 -10.110 -0.103 2.416 1.00 12.33 H new ATOM 0 HG21 VAL A 87 -9.741 1.530 5.006 1.00 54.25 H new ATOM 0 HG22 VAL A 87 -11.299 1.409 4.154 1.00 54.25 H new ATOM 0 HG23 VAL A 87 -11.188 0.963 5.873 1.00 54.25 H new ATOM 1357 N ALA A 88 -10.908 -3.599 4.812 1.00 1.30 N ATOM 1358 CA ALA A 88 -10.509 -4.960 4.465 1.00 13.04 C ATOM 1359 C ALA A 88 -11.721 -5.756 4.003 1.00 72.45 C ATOM 1360 O ALA A 88 -11.652 -6.534 3.047 1.00 20.43 O ATOM 1361 CB ALA A 88 -9.844 -5.636 5.660 1.00 72.25 C ATOM 0 H ALA A 88 -10.862 -3.389 5.809 1.00 1.30 H new ATOM 0 HA ALA A 88 -9.788 -4.921 3.649 1.00 13.04 H new ATOM 0 HB1 ALA A 88 -9.551 -6.650 5.388 1.00 72.25 H new ATOM 0 HB2 ALA A 88 -8.960 -5.069 5.953 1.00 72.25 H new ATOM 0 HB3 ALA A 88 -10.545 -5.672 6.494 1.00 72.25 H new ATOM 1367 N THR A 89 -12.835 -5.527 4.684 1.00 65.02 N ATOM 1368 CA THR A 89 -14.087 -6.199 4.378 1.00 73.42 C ATOM 1369 C THR A 89 -14.618 -5.752 3.011 1.00 11.55 C ATOM 1370 O THR A 89 -15.160 -6.557 2.250 1.00 20.45 O ATOM 1371 CB THR A 89 -15.134 -5.898 5.474 1.00 42.34 C ATOM 1372 OG1 THR A 89 -14.576 -6.184 6.767 1.00 32.44 O ATOM 1373 CG2 THR A 89 -16.405 -6.718 5.276 1.00 24.23 C ATOM 0 H THR A 89 -12.895 -4.871 5.463 1.00 65.02 H new ATOM 0 HA THR A 89 -13.903 -7.273 4.346 1.00 73.42 H new ATOM 0 HB THR A 89 -15.398 -4.843 5.405 1.00 42.34 H new ATOM 0 HG1 THR A 89 -15.241 -5.991 7.460 1.00 32.44 H new ATOM 0 HG21 THR A 89 -17.118 -6.480 6.065 1.00 24.23 H new ATOM 0 HG22 THR A 89 -16.844 -6.481 4.307 1.00 24.23 H new ATOM 0 HG23 THR A 89 -16.163 -7.780 5.314 1.00 24.23 H new ATOM 1381 N GLN A 90 -14.436 -4.464 2.709 1.00 11.22 N ATOM 1382 CA GLN A 90 -14.914 -3.881 1.455 1.00 40.03 C ATOM 1383 C GLN A 90 -14.107 -4.398 0.267 1.00 71.04 C ATOM 1384 O GLN A 90 -14.667 -4.894 -0.712 1.00 74.14 O ATOM 1385 CB GLN A 90 -14.815 -2.349 1.494 1.00 35.41 C ATOM 1386 CG GLN A 90 -15.604 -1.692 2.619 1.00 60.53 C ATOM 1387 CD GLN A 90 -15.454 -0.178 2.630 1.00 22.14 C ATOM 1388 OE1 GLN A 90 -14.444 0.361 2.176 1.00 64.10 O ATOM 1389 NE2 GLN A 90 -16.449 0.515 3.162 1.00 11.21 N ATOM 0 H GLN A 90 -13.958 -3.802 3.321 1.00 11.22 H new ATOM 0 HA GLN A 90 -15.957 -4.176 1.337 1.00 40.03 H new ATOM 0 HB2 GLN A 90 -13.766 -2.068 1.591 1.00 35.41 H new ATOM 0 HB3 GLN A 90 -15.165 -1.951 0.542 1.00 35.41 H new ATOM 0 HG2 GLN A 90 -16.658 -1.948 2.517 1.00 60.53 H new ATOM 0 HG3 GLN A 90 -15.270 -2.094 3.575 1.00 60.53 H new ATOM 0 HE21 GLN A 90 -17.269 0.031 3.527 1.00 11.21 H new ATOM 0 HE22 GLN A 90 -16.395 1.533 3.206 1.00 11.21 H new ATOM 1398 N TYR A 91 -12.785 -4.264 0.356 1.00 65.12 N ATOM 1399 CA TYR A 91 -11.902 -4.617 -0.756 1.00 11.54 C ATOM 1400 C TYR A 91 -11.591 -6.110 -0.777 1.00 32.30 C ATOM 1401 O TYR A 91 -11.060 -6.625 -1.763 1.00 25.34 O ATOM 1402 CB TYR A 91 -10.617 -3.783 -0.704 1.00 62.10 C ATOM 1403 CG TYR A 91 -10.870 -2.302 -0.926 1.00 74.43 C ATOM 1404 CD1 TYR A 91 -11.160 -1.814 -2.195 1.00 13.22 C ATOM 1405 CD2 TYR A 91 -10.842 -1.395 0.131 1.00 62.13 C ATOM 1406 CE1 TYR A 91 -11.409 -0.472 -2.404 1.00 51.23 C ATOM 1407 CE2 TYR A 91 -11.093 -0.049 -0.073 1.00 52.13 C ATOM 1408 CZ TYR A 91 -11.376 0.406 -1.342 1.00 12.33 C ATOM 1409 OH TYR A 91 -11.630 1.743 -1.553 1.00 33.55 O ATOM 0 H TYR A 91 -12.302 -3.915 1.184 1.00 65.12 H new ATOM 0 HA TYR A 91 -12.424 -4.387 -1.685 1.00 11.54 H new ATOM 0 HB2 TYR A 91 -10.136 -3.924 0.264 1.00 62.10 H new ATOM 0 HB3 TYR A 91 -9.922 -4.146 -1.461 1.00 62.10 H new ATOM 0 HD1 TYR A 91 -11.191 -2.496 -3.032 1.00 13.22 H new ATOM 0 HD2 TYR A 91 -10.621 -1.748 1.127 1.00 62.13 H new ATOM 0 HE1 TYR A 91 -11.629 -0.111 -3.398 1.00 51.23 H new ATOM 0 HE2 TYR A 91 -11.067 0.640 0.758 1.00 52.13 H new ATOM 0 HH TYR A 91 -11.569 2.226 -0.702 1.00 33.55 H new ATOM 1419 N GLY A 92 -11.916 -6.798 0.313 1.00 64.04 N ATOM 1420 CA GLY A 92 -11.838 -8.245 0.330 1.00 10.44 C ATOM 1421 C GLY A 92 -10.425 -8.755 0.507 1.00 13.00 C ATOM 1422 O GLY A 92 -9.771 -9.149 -0.462 1.00 32.35 O ATOM 0 H GLY A 92 -12.233 -6.377 1.186 1.00 64.04 H new ATOM 0 HA2 GLY A 92 -12.461 -8.628 1.138 1.00 10.44 H new ATOM 0 HA3 GLY A 92 -12.247 -8.637 -0.601 1.00 10.44 H new ATOM 1426 N VAL A 93 -9.946 -8.732 1.741 1.00 12.21 N ATOM 1427 CA VAL A 93 -8.647 -9.306 2.070 1.00 63.01 C ATOM 1428 C VAL A 93 -8.748 -10.832 2.102 1.00 71.15 C ATOM 1429 O VAL A 93 -9.141 -11.428 3.109 1.00 73.12 O ATOM 1430 CB VAL A 93 -8.126 -8.758 3.424 1.00 64.32 C ATOM 1431 CG1 VAL A 93 -6.848 -9.470 3.867 1.00 63.31 C ATOM 1432 CG2 VAL A 93 -7.888 -7.257 3.318 1.00 22.11 C ATOM 0 H VAL A 93 -10.438 -8.321 2.535 1.00 12.21 H new ATOM 0 HA VAL A 93 -7.931 -9.017 1.300 1.00 63.01 H new ATOM 0 HB VAL A 93 -8.887 -8.951 4.181 1.00 64.32 H new ATOM 0 HG11 VAL A 93 -6.514 -9.059 4.819 1.00 63.31 H new ATOM 0 HG12 VAL A 93 -7.046 -10.536 3.982 1.00 63.31 H new ATOM 0 HG13 VAL A 93 -6.071 -9.324 3.116 1.00 63.31 H new ATOM 0 HG21 VAL A 93 -7.522 -6.878 4.272 1.00 22.11 H new ATOM 0 HG22 VAL A 93 -7.149 -7.060 2.542 1.00 22.11 H new ATOM 0 HG23 VAL A 93 -8.823 -6.757 3.064 1.00 22.11 H new ATOM 1442 N SER A 94 -8.446 -11.447 0.962 1.00 64.04 N ATOM 1443 CA SER A 94 -8.534 -12.894 0.807 1.00 73.12 C ATOM 1444 C SER A 94 -7.413 -13.597 1.582 1.00 41.14 C ATOM 1445 O SER A 94 -7.670 -14.411 2.475 1.00 34.34 O ATOM 1446 CB SER A 94 -8.472 -13.246 -0.685 1.00 40.54 C ATOM 1447 OG SER A 94 -9.381 -12.443 -1.429 1.00 13.32 O ATOM 0 H SER A 94 -8.135 -10.958 0.123 1.00 64.04 H new ATOM 0 HA SER A 94 -9.482 -13.241 1.218 1.00 73.12 H new ATOM 0 HB2 SER A 94 -7.458 -13.097 -1.057 1.00 40.54 H new ATOM 0 HB3 SER A 94 -8.711 -14.300 -0.825 1.00 40.54 H new ATOM 0 HG SER A 94 -9.326 -12.681 -2.378 1.00 13.32 H new ATOM 1453 N ALA A 95 -6.169 -13.277 1.239 1.00 44.34 N ATOM 1454 CA ALA A 95 -5.010 -13.808 1.953 1.00 23.24 C ATOM 1455 C ALA A 95 -4.685 -12.906 3.137 1.00 13.41 C ATOM 1456 O ALA A 95 -4.982 -11.713 3.102 1.00 65.43 O ATOM 1457 CB ALA A 95 -3.808 -13.925 1.022 1.00 65.42 C ATOM 0 H ALA A 95 -5.936 -12.651 0.469 1.00 44.34 H new ATOM 0 HA ALA A 95 -5.247 -14.807 2.319 1.00 23.24 H new ATOM 0 HB1 ALA A 95 -2.957 -14.322 1.575 1.00 65.42 H new ATOM 0 HB2 ALA A 95 -4.050 -14.596 0.198 1.00 65.42 H new ATOM 0 HB3 ALA A 95 -3.557 -12.941 0.627 1.00 65.42 H new ATOM 1463 N ILE A 96 -4.076 -13.475 4.175 1.00 4.23 N ATOM 1464 CA ILE A 96 -3.760 -12.720 5.387 1.00 5.11 C ATOM 1465 C ILE A 96 -2.920 -11.472 5.059 1.00 5.33 C ATOM 1466 O ILE A 96 -3.313 -10.358 5.412 1.00 2.12 O ATOM 1467 CB ILE A 96 -3.034 -13.598 6.448 1.00 15.03 C ATOM 1468 CG1 ILE A 96 -3.845 -14.875 6.750 1.00 22.50 C ATOM 1469 CG2 ILE A 96 -2.793 -12.801 7.727 1.00 52.44 C ATOM 1470 CD1 ILE A 96 -5.229 -14.609 7.312 1.00 32.11 C ATOM 0 H ILE A 96 -3.792 -14.454 4.202 1.00 4.23 H new ATOM 0 HA ILE A 96 -4.709 -12.398 5.816 1.00 5.11 H new ATOM 0 HB ILE A 96 -2.068 -13.897 6.040 1.00 15.03 H new ATOM 0 HG12 ILE A 96 -3.942 -15.457 5.833 1.00 22.50 H new ATOM 0 HG13 ILE A 96 -3.288 -15.488 7.459 1.00 22.50 H new ATOM 0 HG21 ILE A 96 -2.285 -13.430 8.458 1.00 52.44 H new ATOM 0 HG22 ILE A 96 -2.174 -11.932 7.503 1.00 52.44 H new ATOM 0 HG23 ILE A 96 -3.748 -12.470 8.135 1.00 52.44 H new ATOM 0 HD11 ILE A 96 -5.735 -15.557 7.497 1.00 32.11 H new ATOM 0 HD12 ILE A 96 -5.142 -14.055 8.247 1.00 32.11 H new ATOM 0 HD13 ILE A 96 -5.806 -14.024 6.596 1.00 32.11 H new ATOM 1482 N PRO A 97 -1.768 -11.619 4.356 1.00 73.25 N ATOM 1483 CA PRO A 97 -0.955 -10.483 3.952 1.00 31.20 C ATOM 1484 C PRO A 97 -1.387 -9.948 2.587 1.00 53.14 C ATOM 1485 O PRO A 97 -1.055 -10.519 1.546 1.00 23.24 O ATOM 1486 CB PRO A 97 0.470 -11.062 3.905 1.00 64.04 C ATOM 1487 CG PRO A 97 0.315 -12.557 3.818 1.00 23.45 C ATOM 1488 CD PRO A 97 -1.164 -12.875 3.888 1.00 64.23 C ATOM 0 HA PRO A 97 -1.044 -9.635 4.631 1.00 31.20 H new ATOM 0 HB2 PRO A 97 1.018 -10.677 3.045 1.00 64.04 H new ATOM 0 HB3 PRO A 97 1.034 -10.780 4.794 1.00 64.04 H new ATOM 0 HG2 PRO A 97 0.742 -12.932 2.888 1.00 23.45 H new ATOM 0 HG3 PRO A 97 0.849 -13.044 4.634 1.00 23.45 H new ATOM 0 HD2 PRO A 97 -1.557 -13.170 2.915 1.00 64.23 H new ATOM 0 HD3 PRO A 97 -1.365 -13.697 4.575 1.00 64.23 H new ATOM 1496 N THR A 98 -2.164 -8.876 2.600 1.00 4.25 N ATOM 1497 CA THR A 98 -2.643 -8.254 1.374 1.00 30.34 C ATOM 1498 C THR A 98 -2.136 -6.815 1.268 1.00 4.23 C ATOM 1499 O THR A 98 -1.939 -6.140 2.287 1.00 74.33 O ATOM 1500 CB THR A 98 -4.191 -8.283 1.308 1.00 3.43 C ATOM 1501 OG1 THR A 98 -4.654 -9.640 1.343 1.00 13.01 O ATOM 1502 CG2 THR A 98 -4.717 -7.607 0.043 1.00 70.35 C ATOM 0 H THR A 98 -2.479 -8.415 3.454 1.00 4.25 H new ATOM 0 HA THR A 98 -2.253 -8.825 0.532 1.00 30.34 H new ATOM 0 HB THR A 98 -4.567 -7.733 2.171 1.00 3.43 H new ATOM 0 HG1 THR A 98 -4.440 -10.036 2.213 1.00 13.01 H new ATOM 0 HG21 THR A 98 -5.806 -7.648 0.034 1.00 70.35 H new ATOM 0 HG22 THR A 98 -4.393 -6.566 0.025 1.00 70.35 H new ATOM 0 HG23 THR A 98 -4.327 -8.123 -0.834 1.00 70.35 H new ATOM 1510 N ILE A 99 -1.881 -6.383 0.031 1.00 11.41 N ATOM 1511 CA ILE A 99 -1.445 -5.021 -0.268 1.00 12.35 C ATOM 1512 C ILE A 99 -2.415 -4.368 -1.261 1.00 25.23 C ATOM 1513 O ILE A 99 -2.558 -4.831 -2.394 1.00 52.20 O ATOM 1514 CB ILE A 99 -0.008 -4.985 -0.873 1.00 11.41 C ATOM 1515 CG1 ILE A 99 1.052 -5.464 0.144 1.00 33.53 C ATOM 1516 CG2 ILE A 99 0.332 -3.577 -1.371 1.00 30.34 C ATOM 1517 CD1 ILE A 99 1.097 -6.966 0.353 1.00 55.32 C ATOM 0 H ILE A 99 -1.972 -6.974 -0.795 1.00 11.41 H new ATOM 0 HA ILE A 99 -1.434 -4.473 0.674 1.00 12.35 H new ATOM 0 HB ILE A 99 0.008 -5.673 -1.719 1.00 11.41 H new ATOM 0 HG12 ILE A 99 2.034 -5.128 -0.190 1.00 33.53 H new ATOM 0 HG13 ILE A 99 0.859 -4.983 1.103 1.00 33.53 H new ATOM 0 HG21 ILE A 99 1.338 -3.572 -1.790 1.00 30.34 H new ATOM 0 HG22 ILE A 99 -0.382 -3.281 -2.139 1.00 30.34 H new ATOM 0 HG23 ILE A 99 0.282 -2.875 -0.539 1.00 30.34 H new ATOM 0 HD11 ILE A 99 1.870 -7.209 1.082 1.00 55.32 H new ATOM 0 HD12 ILE A 99 0.130 -7.311 0.720 1.00 55.32 H new ATOM 0 HD13 ILE A 99 1.323 -7.458 -0.593 1.00 55.32 H new ATOM 1529 N LEU A 100 -3.092 -3.310 -0.828 1.00 13.41 N ATOM 1530 CA LEU A 100 -3.984 -2.546 -1.700 1.00 72.52 C ATOM 1531 C LEU A 100 -3.195 -1.423 -2.370 1.00 13.52 C ATOM 1532 O LEU A 100 -2.298 -0.851 -1.753 1.00 44.30 O ATOM 1533 CB LEU A 100 -5.141 -1.942 -0.889 1.00 31.31 C ATOM 1534 CG LEU A 100 -5.961 -2.931 -0.041 1.00 34.32 C ATOM 1535 CD1 LEU A 100 -7.066 -2.199 0.718 1.00 65.14 C ATOM 1536 CD2 LEU A 100 -6.545 -4.042 -0.909 1.00 73.44 C ATOM 0 H LEU A 100 -3.041 -2.958 0.128 1.00 13.41 H new ATOM 0 HA LEU A 100 -4.396 -3.215 -2.456 1.00 72.52 H new ATOM 0 HB2 LEU A 100 -4.734 -1.178 -0.227 1.00 31.31 H new ATOM 0 HB3 LEU A 100 -5.818 -1.438 -1.579 1.00 31.31 H new ATOM 0 HG LEU A 100 -5.291 -3.391 0.686 1.00 34.32 H new ATOM 0 HD11 LEU A 100 -7.635 -2.914 1.312 1.00 65.14 H new ATOM 0 HD12 LEU A 100 -6.622 -1.453 1.377 1.00 65.14 H new ATOM 0 HD13 LEU A 100 -7.731 -1.707 0.008 1.00 65.14 H new ATOM 0 HD21 LEU A 100 -7.120 -4.727 -0.285 1.00 73.44 H new ATOM 0 HD22 LEU A 100 -7.197 -3.607 -1.667 1.00 73.44 H new ATOM 0 HD23 LEU A 100 -5.736 -4.587 -1.396 1.00 73.44 H new ATOM 1548 N MET A 101 -3.499 -1.124 -3.629 1.00 20.44 N ATOM 1549 CA MET A 101 -2.877 0.008 -4.314 1.00 21.32 C ATOM 1550 C MET A 101 -3.943 1.037 -4.698 1.00 3.11 C ATOM 1551 O MET A 101 -5.021 0.673 -5.174 1.00 72.44 O ATOM 1552 CB MET A 101 -2.119 -0.461 -5.572 1.00 40.22 C ATOM 1553 CG MET A 101 -1.181 -1.642 -5.339 1.00 14.03 C ATOM 1554 SD MET A 101 -0.106 -1.968 -6.752 1.00 40.14 S ATOM 1555 CE MET A 101 0.892 -0.480 -6.773 1.00 34.10 C ATOM 0 H MET A 101 -4.168 -1.646 -4.195 1.00 20.44 H new ATOM 0 HA MET A 101 -2.161 0.470 -3.634 1.00 21.32 H new ATOM 0 HB2 MET A 101 -2.845 -0.735 -6.338 1.00 40.22 H new ATOM 0 HB3 MET A 101 -1.540 0.375 -5.965 1.00 40.22 H new ATOM 0 HG2 MET A 101 -0.568 -1.446 -4.459 1.00 14.03 H new ATOM 0 HG3 MET A 101 -1.771 -2.533 -5.124 1.00 14.03 H new ATOM 0 HE1 MET A 101 1.873 -0.706 -7.190 1.00 34.10 H new ATOM 0 HE2 MET A 101 0.403 0.277 -7.386 1.00 34.10 H new ATOM 0 HE3 MET A 101 1.007 -0.105 -5.756 1.00 34.10 H new ATOM 1565 N PHE A 102 -3.639 2.314 -4.473 1.00 54.30 N ATOM 1566 CA PHE A 102 -4.490 3.438 -4.894 1.00 52.23 C ATOM 1567 C PHE A 102 -3.595 4.633 -5.198 1.00 32.50 C ATOM 1568 O PHE A 102 -2.448 4.655 -4.762 1.00 55.33 O ATOM 1569 CB PHE A 102 -5.514 3.803 -3.805 1.00 21.53 C ATOM 1570 CG PHE A 102 -6.503 2.703 -3.513 1.00 35.34 C ATOM 1571 CD1 PHE A 102 -7.580 2.477 -4.362 1.00 53.01 C ATOM 1572 CD2 PHE A 102 -6.347 1.883 -2.405 1.00 71.41 C ATOM 1573 CE1 PHE A 102 -8.478 1.459 -4.105 1.00 45.13 C ATOM 1574 CE2 PHE A 102 -7.240 0.865 -2.148 1.00 55.50 C ATOM 1575 CZ PHE A 102 -8.306 0.653 -2.997 1.00 72.21 C ATOM 0 H PHE A 102 -2.789 2.606 -3.990 1.00 54.30 H new ATOM 0 HA PHE A 102 -5.050 3.150 -5.783 1.00 52.23 H new ATOM 0 HB2 PHE A 102 -4.982 4.055 -2.888 1.00 21.53 H new ATOM 0 HB3 PHE A 102 -6.057 4.696 -4.114 1.00 21.53 H new ATOM 0 HD1 PHE A 102 -7.716 3.103 -5.231 1.00 53.01 H new ATOM 0 HD2 PHE A 102 -5.515 2.044 -1.735 1.00 71.41 H new ATOM 0 HE1 PHE A 102 -9.313 1.294 -4.770 1.00 45.13 H new ATOM 0 HE2 PHE A 102 -7.105 0.234 -1.282 1.00 55.50 H new ATOM 0 HZ PHE A 102 -9.007 -0.144 -2.795 1.00 72.21 H new ATOM 1585 N LYS A 103 -4.076 5.617 -5.958 1.00 52.25 N ATOM 1586 CA LYS A 103 -3.245 6.794 -6.242 1.00 20.15 C ATOM 1587 C LYS A 103 -4.082 8.037 -6.539 1.00 73.41 C ATOM 1588 O LYS A 103 -4.743 8.114 -7.574 1.00 33.44 O ATOM 1589 CB LYS A 103 -2.295 6.509 -7.418 1.00 65.44 C ATOM 1590 CG LYS A 103 -1.324 7.653 -7.710 1.00 33.10 C ATOM 1591 CD LYS A 103 -0.355 7.319 -8.844 1.00 61.32 C ATOM 1592 CE LYS A 103 -1.084 7.037 -10.155 1.00 44.41 C ATOM 1593 NZ LYS A 103 -0.139 6.840 -11.287 1.00 24.35 N ATOM 0 H LYS A 103 -5.006 5.629 -6.378 1.00 52.25 H new ATOM 0 HA LYS A 103 -2.662 6.997 -5.343 1.00 20.15 H new ATOM 0 HB2 LYS A 103 -1.725 5.605 -7.203 1.00 65.44 H new ATOM 0 HB3 LYS A 103 -2.886 6.308 -8.311 1.00 65.44 H new ATOM 0 HG2 LYS A 103 -1.889 8.548 -7.970 1.00 33.10 H new ATOM 0 HG3 LYS A 103 -0.758 7.885 -6.808 1.00 33.10 H new ATOM 0 HD2 LYS A 103 0.337 8.149 -8.985 1.00 61.32 H new ATOM 0 HD3 LYS A 103 0.242 6.450 -8.567 1.00 61.32 H new ATOM 0 HE2 LYS A 103 -1.704 6.148 -10.041 1.00 44.41 H new ATOM 0 HE3 LYS A 103 -1.755 7.866 -10.383 1.00 44.41 H new ATOM 0 HZ1 LYS A 103 -0.675 6.634 -12.154 1.00 24.35 H new ATOM 0 HZ2 LYS A 103 0.424 7.704 -11.424 1.00 24.35 H new ATOM 0 HZ3 LYS A 103 0.496 6.044 -11.075 1.00 24.35 H new ATOM 1607 N ASN A 104 -4.039 9.008 -5.623 1.00 61.30 N ATOM 1608 CA ASN A 104 -4.699 10.308 -5.813 1.00 44.34 C ATOM 1609 C ASN A 104 -6.193 10.127 -6.113 1.00 64.31 C ATOM 1610 O ASN A 104 -6.787 10.854 -6.916 1.00 62.42 O ATOM 1611 CB ASN A 104 -3.986 11.087 -6.934 1.00 65.32 C ATOM 1612 CG ASN A 104 -4.506 12.505 -7.120 1.00 23.14 C ATOM 1613 OD1 ASN A 104 -5.021 13.127 -6.190 1.00 64.14 O ATOM 1614 ND2 ASN A 104 -4.362 13.027 -8.327 1.00 20.51 N ATOM 0 H ASN A 104 -3.549 8.919 -4.733 1.00 61.30 H new ATOM 0 HA ASN A 104 -4.627 10.884 -4.891 1.00 44.34 H new ATOM 0 HB2 ASN A 104 -2.919 11.127 -6.715 1.00 65.32 H new ATOM 0 HB3 ASN A 104 -4.099 10.542 -7.871 1.00 65.32 H new ATOM 0 HD21 ASN A 104 -4.683 13.977 -8.513 1.00 20.51 H new ATOM 0 HD22 ASN A 104 -3.930 12.479 -9.071 1.00 20.51 H new ATOM 1621 N GLY A 105 -6.794 9.145 -5.447 1.00 4.12 N ATOM 1622 CA GLY A 105 -8.210 8.858 -5.626 1.00 64.13 C ATOM 1623 C GLY A 105 -8.469 7.892 -6.768 1.00 12.13 C ATOM 1624 O GLY A 105 -9.553 7.316 -6.869 1.00 35.30 O ATOM 0 H GLY A 105 -6.321 8.536 -4.779 1.00 4.12 H new ATOM 0 HA2 GLY A 105 -8.612 8.440 -4.703 1.00 64.13 H new ATOM 0 HA3 GLY A 105 -8.745 9.789 -5.814 1.00 64.13 H new ATOM 1628 N LYS A 106 -7.471 7.718 -7.628 1.00 41.21 N ATOM 1629 CA LYS A 106 -7.581 6.826 -8.774 1.00 13.34 C ATOM 1630 C LYS A 106 -7.422 5.373 -8.341 1.00 33.12 C ATOM 1631 O LYS A 106 -6.573 5.054 -7.491 1.00 42.10 O ATOM 1632 CB LYS A 106 -6.523 7.174 -9.832 1.00 10.43 C ATOM 1633 CG LYS A 106 -6.499 6.218 -11.024 1.00 41.14 C ATOM 1634 CD LYS A 106 -5.401 6.579 -12.022 1.00 33.51 C ATOM 1635 CE LYS A 106 -5.346 5.592 -13.184 1.00 24.34 C ATOM 1636 NZ LYS A 106 -6.624 5.552 -13.944 1.00 61.25 N ATOM 0 H LYS A 106 -6.569 8.188 -7.550 1.00 41.21 H new ATOM 0 HA LYS A 106 -8.572 6.956 -9.210 1.00 13.34 H new ATOM 0 HB2 LYS A 106 -6.705 8.186 -10.194 1.00 10.43 H new ATOM 0 HB3 LYS A 106 -5.540 7.176 -9.361 1.00 10.43 H new ATOM 0 HG2 LYS A 106 -6.346 5.199 -10.669 1.00 41.14 H new ATOM 0 HG3 LYS A 106 -7.467 6.239 -11.526 1.00 41.14 H new ATOM 0 HD2 LYS A 106 -5.575 7.584 -12.406 1.00 33.51 H new ATOM 0 HD3 LYS A 106 -4.437 6.595 -11.513 1.00 33.51 H new ATOM 0 HE2 LYS A 106 -4.533 5.868 -13.856 1.00 24.34 H new ATOM 0 HE3 LYS A 106 -5.120 4.596 -12.803 1.00 24.34 H new ATOM 0 HZ1 LYS A 106 -6.487 5.017 -14.825 1.00 61.25 H new ATOM 0 HZ2 LYS A 106 -7.356 5.089 -13.368 1.00 61.25 H new ATOM 0 HZ3 LYS A 106 -6.924 6.522 -14.171 1.00 61.25 H new ATOM 1650 N LYS A 107 -8.255 4.509 -8.924 1.00 2.22 N ATOM 1651 CA LYS A 107 -8.191 3.073 -8.684 1.00 0.55 C ATOM 1652 C LYS A 107 -6.848 2.508 -9.151 1.00 54.43 C ATOM 1653 O LYS A 107 -6.332 2.871 -10.210 1.00 34.21 O ATOM 1654 CB LYS A 107 -9.347 2.353 -9.400 1.00 4.44 C ATOM 1655 CG LYS A 107 -9.278 0.825 -9.315 1.00 74.13 C ATOM 1656 CD LYS A 107 -9.559 0.291 -7.908 1.00 44.42 C ATOM 1657 CE LYS A 107 -11.030 0.433 -7.535 1.00 71.44 C ATOM 1658 NZ LYS A 107 -11.344 -0.215 -6.234 1.00 4.43 N ATOM 0 H LYS A 107 -8.990 4.788 -9.574 1.00 2.22 H new ATOM 0 HA LYS A 107 -8.286 2.903 -7.611 1.00 0.55 H new ATOM 0 HB2 LYS A 107 -10.291 2.688 -8.971 1.00 4.44 H new ATOM 0 HB3 LYS A 107 -9.351 2.648 -10.449 1.00 4.44 H new ATOM 0 HG2 LYS A 107 -9.998 0.395 -10.011 1.00 74.13 H new ATOM 0 HG3 LYS A 107 -8.290 0.493 -9.633 1.00 74.13 H new ATOM 0 HD2 LYS A 107 -9.269 -0.758 -7.852 1.00 44.42 H new ATOM 0 HD3 LYS A 107 -8.947 0.830 -7.185 1.00 44.42 H new ATOM 0 HE2 LYS A 107 -11.290 1.490 -7.485 1.00 71.44 H new ATOM 0 HE3 LYS A 107 -11.646 -0.010 -8.318 1.00 71.44 H new ATOM 0 HZ1 LYS A 107 -12.375 -0.259 -6.108 1.00 4.43 H new ATOM 0 HZ2 LYS A 107 -10.953 -1.178 -6.223 1.00 4.43 H new ATOM 0 HZ3 LYS A 107 -10.924 0.338 -5.460 1.00 4.43 H new ATOM 1672 N LEU A 108 -6.322 1.597 -8.357 1.00 52.22 N ATOM 1673 CA LEU A 108 -5.004 1.010 -8.552 1.00 55.43 C ATOM 1674 C LEU A 108 -5.074 -0.457 -8.130 1.00 74.03 C ATOM 1675 O LEU A 108 -6.072 -0.882 -7.538 1.00 73.35 O ATOM 1676 CB LEU A 108 -3.922 1.789 -7.781 1.00 2.12 C ATOM 1677 CG LEU A 108 -2.761 2.355 -8.619 1.00 51.04 C ATOM 1678 CD1 LEU A 108 -2.007 1.235 -9.330 1.00 51.41 C ATOM 1679 CD2 LEU A 108 -3.264 3.400 -9.616 1.00 1.44 C ATOM 0 H LEU A 108 -6.808 1.233 -7.537 1.00 52.22 H new ATOM 0 HA LEU A 108 -4.717 1.069 -9.602 1.00 55.43 H new ATOM 0 HB2 LEU A 108 -4.403 2.617 -7.259 1.00 2.12 H new ATOM 0 HB3 LEU A 108 -3.505 1.131 -7.019 1.00 2.12 H new ATOM 0 HG LEU A 108 -2.065 2.849 -7.941 1.00 51.04 H new ATOM 0 HD11 LEU A 108 -1.192 1.660 -9.915 1.00 51.41 H new ATOM 0 HD12 LEU A 108 -1.601 0.543 -8.591 1.00 51.41 H new ATOM 0 HD13 LEU A 108 -2.689 0.700 -9.992 1.00 51.41 H new ATOM 0 HD21 LEU A 108 -2.424 3.784 -10.195 1.00 1.44 H new ATOM 0 HD22 LEU A 108 -3.989 2.942 -10.288 1.00 1.44 H new ATOM 0 HD23 LEU A 108 -3.737 4.220 -9.076 1.00 1.44 H new ATOM 1691 N SER A 109 -4.054 -1.232 -8.462 1.00 63.03 N ATOM 1692 CA SER A 109 -4.121 -2.688 -8.390 1.00 74.44 C ATOM 1693 C SER A 109 -4.146 -3.211 -6.946 1.00 13.15 C ATOM 1694 O SER A 109 -4.152 -2.444 -5.981 1.00 65.30 O ATOM 1695 CB SER A 109 -2.892 -3.254 -9.107 1.00 40.22 C ATOM 1696 OG SER A 109 -2.942 -2.985 -10.501 1.00 30.33 O ATOM 0 H SER A 109 -3.157 -0.873 -8.789 1.00 63.03 H new ATOM 0 HA SER A 109 -5.050 -3.009 -8.862 1.00 74.44 H new ATOM 0 HB2 SER A 109 -1.987 -2.819 -8.682 1.00 40.22 H new ATOM 0 HB3 SER A 109 -2.836 -4.330 -8.943 1.00 40.22 H new ATOM 0 HG SER A 109 -2.031 -2.872 -10.845 1.00 30.33 H new ATOM 1702 N GLN A 110 -4.201 -4.532 -6.812 1.00 51.23 N ATOM 1703 CA GLN A 110 -4.311 -5.175 -5.509 1.00 64.45 C ATOM 1704 C GLN A 110 -3.476 -6.454 -5.485 1.00 14.24 C ATOM 1705 O GLN A 110 -3.715 -7.377 -6.269 1.00 54.21 O ATOM 1706 CB GLN A 110 -5.789 -5.472 -5.211 1.00 64.50 C ATOM 1707 CG GLN A 110 -6.052 -6.066 -3.832 1.00 12.11 C ATOM 1708 CD GLN A 110 -7.538 -6.218 -3.536 1.00 55.23 C ATOM 1709 OE1 GLN A 110 -8.366 -5.452 -4.028 1.00 53.13 O ATOM 1710 NE2 GLN A 110 -7.885 -7.212 -2.732 1.00 10.31 N ATOM 0 H GLN A 110 -4.171 -5.182 -7.597 1.00 51.23 H new ATOM 0 HA GLN A 110 -3.927 -4.509 -4.736 1.00 64.45 H new ATOM 0 HB2 GLN A 110 -6.358 -4.548 -5.308 1.00 64.50 H new ATOM 0 HB3 GLN A 110 -6.167 -6.161 -5.967 1.00 64.50 H new ATOM 0 HG2 GLN A 110 -5.569 -7.041 -3.762 1.00 12.11 H new ATOM 0 HG3 GLN A 110 -5.597 -5.430 -3.073 1.00 12.11 H new ATOM 0 HE21 GLN A 110 -7.170 -7.827 -2.343 1.00 10.31 H new ATOM 0 HE22 GLN A 110 -8.867 -7.363 -2.502 1.00 10.31 H new ATOM 1719 N VAL A 111 -2.491 -6.494 -4.596 1.00 62.40 N ATOM 1720 CA VAL A 111 -1.593 -7.637 -4.475 1.00 34.54 C ATOM 1721 C VAL A 111 -2.019 -8.524 -3.304 1.00 20.33 C ATOM 1722 O VAL A 111 -1.868 -8.153 -2.141 1.00 63.52 O ATOM 1723 CB VAL A 111 -0.127 -7.170 -4.275 1.00 24.03 C ATOM 1724 CG1 VAL A 111 0.827 -8.360 -4.208 1.00 65.51 C ATOM 1725 CG2 VAL A 111 0.286 -6.208 -5.387 1.00 61.13 C ATOM 0 H VAL A 111 -2.292 -5.738 -3.941 1.00 62.40 H new ATOM 0 HA VAL A 111 -1.651 -8.212 -5.399 1.00 34.54 H new ATOM 0 HB VAL A 111 -0.069 -6.642 -3.323 1.00 24.03 H new ATOM 0 HG11 VAL A 111 1.847 -8.001 -4.067 1.00 65.51 H new ATOM 0 HG12 VAL A 111 0.550 -9.002 -3.372 1.00 65.51 H new ATOM 0 HG13 VAL A 111 0.767 -8.927 -5.137 1.00 65.51 H new ATOM 0 HG21 VAL A 111 1.317 -5.891 -5.230 1.00 61.13 H new ATOM 0 HG22 VAL A 111 0.203 -6.710 -6.351 1.00 61.13 H new ATOM 0 HG23 VAL A 111 -0.367 -5.336 -5.375 1.00 61.13 H new ATOM 1735 N ILE A 112 -2.574 -9.686 -3.622 1.00 40.22 N ATOM 1736 CA ILE A 112 -3.039 -10.628 -2.606 1.00 2.10 C ATOM 1737 C ILE A 112 -1.940 -11.649 -2.312 1.00 21.42 C ATOM 1738 O ILE A 112 -1.690 -12.549 -3.120 1.00 14.01 O ATOM 1739 CB ILE A 112 -4.333 -11.377 -3.048 1.00 22.52 C ATOM 1740 CG1 ILE A 112 -5.499 -10.392 -3.283 1.00 73.23 C ATOM 1741 CG2 ILE A 112 -4.732 -12.434 -2.015 1.00 5.22 C ATOM 1742 CD1 ILE A 112 -5.387 -9.572 -4.556 1.00 4.34 C ATOM 0 H ILE A 112 -2.715 -10.003 -4.581 1.00 40.22 H new ATOM 0 HA ILE A 112 -3.275 -10.054 -1.710 1.00 2.10 H new ATOM 0 HB ILE A 112 -4.116 -11.878 -3.992 1.00 22.52 H new ATOM 0 HG12 ILE A 112 -6.432 -10.954 -3.310 1.00 73.23 H new ATOM 0 HG13 ILE A 112 -5.560 -9.712 -2.433 1.00 73.23 H new ATOM 0 HG21 ILE A 112 -5.637 -12.943 -2.346 1.00 5.22 H new ATOM 0 HG22 ILE A 112 -3.926 -13.160 -1.908 1.00 5.22 H new ATOM 0 HG23 ILE A 112 -4.917 -11.953 -1.055 1.00 5.22 H new ATOM 0 HD11 ILE A 112 -6.248 -8.909 -4.639 1.00 4.34 H new ATOM 0 HD12 ILE A 112 -4.473 -8.978 -4.527 1.00 4.34 H new ATOM 0 HD13 ILE A 112 -5.359 -10.239 -5.417 1.00 4.34 H new ATOM 1754 N GLY A 113 -1.274 -11.492 -1.173 1.00 35.51 N ATOM 1755 CA GLY A 113 -0.186 -12.380 -0.804 1.00 44.41 C ATOM 1756 C GLY A 113 1.163 -11.710 -0.964 1.00 52.14 C ATOM 1757 O GLY A 113 1.247 -10.559 -1.403 1.00 22.15 O ATOM 0 H GLY A 113 -1.471 -10.758 -0.493 1.00 35.51 H new ATOM 0 HA2 GLY A 113 -0.313 -12.701 0.230 1.00 44.41 H new ATOM 0 HA3 GLY A 113 -0.223 -13.277 -1.422 1.00 44.41 H new ATOM 1761 N ALA A 114 2.225 -12.424 -0.613 1.00 43.54 N ATOM 1762 CA ALA A 114 3.574 -11.880 -0.685 1.00 22.22 C ATOM 1763 C ALA A 114 4.120 -11.960 -2.111 1.00 14.44 C ATOM 1764 O ALA A 114 4.853 -12.893 -2.461 1.00 70.23 O ATOM 1765 CB ALA A 114 4.491 -12.605 0.298 1.00 54.42 C ATOM 0 H ALA A 114 2.177 -13.385 -0.274 1.00 43.54 H new ATOM 0 HA ALA A 114 3.538 -10.827 -0.405 1.00 22.22 H new ATOM 0 HB1 ALA A 114 5.496 -12.188 0.233 1.00 54.42 H new ATOM 0 HB2 ALA A 114 4.110 -12.479 1.312 1.00 54.42 H new ATOM 0 HB3 ALA A 114 4.522 -13.666 0.052 1.00 54.42 H new ATOM 1771 N ASP A 115 3.722 -11.000 -2.944 1.00 3.13 N ATOM 1772 CA ASP A 115 4.234 -10.889 -4.313 1.00 52.33 C ATOM 1773 C ASP A 115 4.977 -9.571 -4.490 1.00 14.43 C ATOM 1774 O ASP A 115 4.474 -8.646 -5.131 1.00 1.15 O ATOM 1775 CB ASP A 115 3.103 -10.987 -5.354 1.00 10.14 C ATOM 1776 CG ASP A 115 2.501 -12.377 -5.460 1.00 14.14 C ATOM 1777 OD1 ASP A 115 3.151 -13.266 -6.052 1.00 63.35 O ATOM 1778 OD2 ASP A 115 1.368 -12.589 -4.979 1.00 4.41 O ATOM 0 H ASP A 115 3.042 -10.282 -2.694 1.00 3.13 H new ATOM 0 HA ASP A 115 4.918 -11.722 -4.476 1.00 52.33 H new ATOM 0 HB2 ASP A 115 2.317 -10.278 -5.094 1.00 10.14 H new ATOM 0 HB3 ASP A 115 3.490 -10.691 -6.329 1.00 10.14 H new ATOM 1783 N ILE A 116 6.177 -9.485 -3.916 1.00 33.22 N ATOM 1784 CA ILE A 116 6.970 -8.259 -3.974 1.00 1.35 C ATOM 1785 C ILE A 116 7.291 -7.924 -5.436 1.00 51.22 C ATOM 1786 O ILE A 116 7.350 -6.756 -5.821 1.00 4.41 O ATOM 1787 CB ILE A 116 8.278 -8.383 -3.123 1.00 42.04 C ATOM 1788 CG1 ILE A 116 8.669 -7.027 -2.485 1.00 44.01 C ATOM 1789 CG2 ILE A 116 9.437 -8.950 -3.947 1.00 51.33 C ATOM 1790 CD1 ILE A 116 9.073 -5.941 -3.464 1.00 10.43 C ATOM 0 H ILE A 116 6.620 -10.249 -3.406 1.00 33.22 H new ATOM 0 HA ILE A 116 6.386 -7.445 -3.544 1.00 1.35 H new ATOM 0 HB ILE A 116 8.069 -9.086 -2.317 1.00 42.04 H new ATOM 0 HG12 ILE A 116 7.827 -6.666 -1.895 1.00 44.01 H new ATOM 0 HG13 ILE A 116 9.494 -7.195 -1.793 1.00 44.01 H new ATOM 0 HG21 ILE A 116 10.327 -9.021 -3.322 1.00 51.33 H new ATOM 0 HG22 ILE A 116 9.171 -9.941 -4.314 1.00 51.33 H new ATOM 0 HG23 ILE A 116 9.639 -8.292 -4.792 1.00 51.33 H new ATOM 0 HD11 ILE A 116 9.327 -5.034 -2.916 1.00 10.43 H new ATOM 0 HD12 ILE A 116 9.938 -6.272 -4.039 1.00 10.43 H new ATOM 0 HD13 ILE A 116 8.244 -5.736 -4.142 1.00 10.43 H new ATOM 1802 N SER A 117 7.457 -8.966 -6.248 1.00 5.45 N ATOM 1803 CA SER A 117 7.719 -8.805 -7.672 1.00 3.15 C ATOM 1804 C SER A 117 6.581 -8.031 -8.333 1.00 24.14 C ATOM 1805 O SER A 117 6.814 -7.089 -9.093 1.00 30.51 O ATOM 1806 CB SER A 117 7.892 -10.181 -8.336 1.00 74.22 C ATOM 1807 OG SER A 117 8.178 -10.067 -9.723 1.00 43.33 O ATOM 0 H SER A 117 7.414 -9.937 -5.938 1.00 5.45 H new ATOM 0 HA SER A 117 8.642 -8.239 -7.800 1.00 3.15 H new ATOM 0 HB2 SER A 117 8.698 -10.724 -7.842 1.00 74.22 H new ATOM 0 HB3 SER A 117 6.983 -10.767 -8.200 1.00 74.22 H new ATOM 0 HG SER A 117 8.283 -10.961 -10.110 1.00 43.33 H new ATOM 1813 N LYS A 118 5.346 -8.418 -8.017 1.00 51.42 N ATOM 1814 CA LYS A 118 4.177 -7.764 -8.588 1.00 52.24 C ATOM 1815 C LYS A 118 4.036 -6.356 -8.022 1.00 11.13 C ATOM 1816 O LYS A 118 3.653 -5.432 -8.734 1.00 22.50 O ATOM 1817 CB LYS A 118 2.904 -8.586 -8.327 1.00 75.30 C ATOM 1818 CG LYS A 118 1.662 -8.030 -9.022 1.00 44.02 C ATOM 1819 CD LYS A 118 1.885 -7.860 -10.527 1.00 40.43 C ATOM 1820 CE LYS A 118 0.630 -7.375 -11.245 1.00 3.31 C ATOM 1821 NZ LYS A 118 0.890 -7.111 -12.685 1.00 73.23 N ATOM 0 H LYS A 118 5.133 -9.178 -7.371 1.00 51.42 H new ATOM 0 HA LYS A 118 4.313 -7.695 -9.667 1.00 52.24 H new ATOM 0 HB2 LYS A 118 3.069 -9.610 -8.661 1.00 75.30 H new ATOM 0 HB3 LYS A 118 2.722 -8.626 -7.253 1.00 75.30 H new ATOM 0 HG2 LYS A 118 0.819 -8.700 -8.852 1.00 44.02 H new ATOM 0 HG3 LYS A 118 1.398 -7.068 -8.582 1.00 44.02 H new ATOM 0 HD2 LYS A 118 2.695 -7.150 -10.694 1.00 40.43 H new ATOM 0 HD3 LYS A 118 2.202 -8.811 -10.955 1.00 40.43 H new ATOM 0 HE2 LYS A 118 -0.157 -8.123 -11.148 1.00 3.31 H new ATOM 0 HE3 LYS A 118 0.266 -6.465 -10.768 1.00 3.31 H new ATOM 0 HZ1 LYS A 118 0.903 -6.085 -12.853 1.00 73.23 H new ATOM 0 HZ2 LYS A 118 1.809 -7.518 -12.952 1.00 73.23 H new ATOM 0 HZ3 LYS A 118 0.139 -7.546 -13.259 1.00 73.23 H new ATOM 1835 N ILE A 119 4.372 -6.201 -6.745 1.00 64.53 N ATOM 1836 CA ILE A 119 4.318 -4.898 -6.090 1.00 72.04 C ATOM 1837 C ILE A 119 5.220 -3.895 -6.812 1.00 1.10 C ATOM 1838 O ILE A 119 4.756 -2.846 -7.263 1.00 22.45 O ATOM 1839 CB ILE A 119 4.732 -4.994 -4.596 1.00 44.11 C ATOM 1840 CG1 ILE A 119 3.739 -5.881 -3.824 1.00 34.12 C ATOM 1841 CG2 ILE A 119 4.823 -3.604 -3.962 1.00 32.41 C ATOM 1842 CD1 ILE A 119 4.107 -6.103 -2.369 1.00 25.00 C ATOM 0 H ILE A 119 4.685 -6.962 -6.143 1.00 64.53 H new ATOM 0 HA ILE A 119 3.285 -4.552 -6.138 1.00 72.04 H new ATOM 0 HB ILE A 119 5.720 -5.451 -4.543 1.00 44.11 H new ATOM 0 HG12 ILE A 119 2.749 -5.426 -3.872 1.00 34.12 H new ATOM 0 HG13 ILE A 119 3.670 -6.848 -4.322 1.00 34.12 H new ATOM 0 HG21 ILE A 119 5.114 -3.700 -2.916 1.00 32.41 H new ATOM 0 HG22 ILE A 119 5.567 -3.010 -4.493 1.00 32.41 H new ATOM 0 HG23 ILE A 119 3.853 -3.111 -4.025 1.00 32.41 H new ATOM 0 HD11 ILE A 119 3.357 -6.738 -1.897 1.00 25.00 H new ATOM 0 HD12 ILE A 119 5.082 -6.587 -2.310 1.00 25.00 H new ATOM 0 HD13 ILE A 119 4.147 -5.144 -1.853 1.00 25.00 H new ATOM 1854 N ILE A 120 6.502 -4.233 -6.946 1.00 32.51 N ATOM 1855 CA ILE A 120 7.462 -3.344 -7.605 1.00 41.14 C ATOM 1856 C ILE A 120 7.100 -3.168 -9.079 1.00 35.14 C ATOM 1857 O ILE A 120 7.218 -2.066 -9.628 1.00 1.42 O ATOM 1858 CB ILE A 120 8.929 -3.848 -7.473 1.00 22.33 C ATOM 1859 CG1 ILE A 120 9.913 -2.852 -8.119 1.00 33.40 C ATOM 1860 CG2 ILE A 120 9.096 -5.232 -8.094 1.00 31.31 C ATOM 1861 CD1 ILE A 120 9.817 -1.445 -7.566 1.00 2.22 C ATOM 0 H ILE A 120 6.900 -5.110 -6.610 1.00 32.51 H new ATOM 0 HA ILE A 120 7.403 -2.381 -7.097 1.00 41.14 H new ATOM 0 HB ILE A 120 9.156 -3.921 -6.410 1.00 22.33 H new ATOM 0 HG12 ILE A 120 10.930 -3.218 -7.978 1.00 33.40 H new ATOM 0 HG13 ILE A 120 9.731 -2.822 -9.193 1.00 33.40 H new ATOM 0 HG21 ILE A 120 10.131 -5.557 -7.986 1.00 31.31 H new ATOM 0 HG22 ILE A 120 8.439 -5.939 -7.588 1.00 31.31 H new ATOM 0 HG23 ILE A 120 8.837 -5.190 -9.152 1.00 31.31 H new ATOM 0 HD11 ILE A 120 10.541 -0.805 -8.071 1.00 2.22 H new ATOM 0 HD12 ILE A 120 8.812 -1.057 -7.731 1.00 2.22 H new ATOM 0 HD13 ILE A 120 10.029 -1.459 -6.497 1.00 2.22 H new ATOM 1873 N SER A 121 6.639 -4.250 -9.706 1.00 33.52 N ATOM 1874 CA SER A 121 6.222 -4.205 -11.102 1.00 62.20 C ATOM 1875 C SER A 121 5.130 -3.149 -11.287 1.00 30.32 C ATOM 1876 O SER A 121 5.224 -2.302 -12.174 1.00 2.53 O ATOM 1877 CB SER A 121 5.720 -5.584 -11.561 1.00 3.41 C ATOM 1878 OG SER A 121 5.454 -5.604 -12.954 1.00 13.33 O ATOM 0 H SER A 121 6.546 -5.166 -9.268 1.00 33.52 H new ATOM 0 HA SER A 121 7.081 -3.934 -11.715 1.00 62.20 H new ATOM 0 HB2 SER A 121 6.466 -6.342 -11.321 1.00 3.41 H new ATOM 0 HB3 SER A 121 4.814 -5.843 -11.013 1.00 3.41 H new ATOM 0 HG SER A 121 5.138 -6.495 -13.214 1.00 13.33 H new ATOM 1884 N GLU A 122 4.116 -3.184 -10.420 1.00 11.41 N ATOM 1885 CA GLU A 122 3.004 -2.242 -10.501 1.00 32.13 C ATOM 1886 C GLU A 122 3.441 -0.826 -10.128 1.00 4.21 C ATOM 1887 O GLU A 122 2.966 0.144 -10.718 1.00 21.13 O ATOM 1888 CB GLU A 122 1.837 -2.694 -9.612 1.00 24.53 C ATOM 1889 CG GLU A 122 1.049 -3.870 -10.180 1.00 44.41 C ATOM 1890 CD GLU A 122 0.490 -3.583 -11.569 1.00 42.12 C ATOM 1891 OE1 GLU A 122 -0.299 -2.622 -11.711 1.00 44.44 O ATOM 1892 OE2 GLU A 122 0.825 -4.319 -12.523 1.00 72.03 O ATOM 0 H GLU A 122 4.044 -3.855 -9.655 1.00 11.41 H new ATOM 0 HA GLU A 122 2.665 -2.226 -11.537 1.00 32.13 H new ATOM 0 HB2 GLU A 122 2.225 -2.969 -8.631 1.00 24.53 H new ATOM 0 HB3 GLU A 122 1.160 -1.853 -9.463 1.00 24.53 H new ATOM 0 HG2 GLU A 122 1.694 -4.747 -10.226 1.00 44.41 H new ATOM 0 HG3 GLU A 122 0.228 -4.113 -9.505 1.00 44.41 H new ATOM 1899 N ILE A 123 4.339 -0.702 -9.154 1.00 55.34 N ATOM 1900 CA ILE A 123 4.861 0.609 -8.776 1.00 21.33 C ATOM 1901 C ILE A 123 5.491 1.287 -9.996 1.00 32.01 C ATOM 1902 O ILE A 123 5.073 2.371 -10.413 1.00 13.24 O ATOM 1903 CB ILE A 123 5.914 0.497 -7.634 1.00 3.11 C ATOM 1904 CG1 ILE A 123 5.242 0.070 -6.316 1.00 71.12 C ATOM 1905 CG2 ILE A 123 6.677 1.808 -7.453 1.00 42.22 C ATOM 1906 CD1 ILE A 123 6.206 -0.068 -5.150 1.00 55.33 C ATOM 0 H ILE A 123 4.717 -1.483 -8.618 1.00 55.34 H new ATOM 0 HA ILE A 123 4.029 1.209 -8.409 1.00 21.33 H new ATOM 0 HB ILE A 123 6.635 -0.270 -7.917 1.00 3.11 H new ATOM 0 HG12 ILE A 123 4.476 0.801 -6.057 1.00 71.12 H new ATOM 0 HG13 ILE A 123 4.735 -0.882 -6.470 1.00 71.12 H new ATOM 0 HG21 ILE A 123 7.404 1.698 -6.649 1.00 42.22 H new ATOM 0 HG22 ILE A 123 7.195 2.058 -8.379 1.00 42.22 H new ATOM 0 HG23 ILE A 123 5.977 2.605 -7.202 1.00 42.22 H new ATOM 0 HD11 ILE A 123 5.657 -0.371 -4.258 1.00 55.33 H new ATOM 0 HD12 ILE A 123 6.958 -0.821 -5.387 1.00 55.33 H new ATOM 0 HD13 ILE A 123 6.695 0.889 -4.967 1.00 55.33 H new ATOM 1918 N ASN A 124 6.447 0.601 -10.603 1.00 70.33 N ATOM 1919 CA ASN A 124 7.138 1.117 -11.783 1.00 5.34 C ATOM 1920 C ASN A 124 6.162 1.268 -12.951 1.00 14.43 C ATOM 1921 O ASN A 124 6.260 2.209 -13.737 1.00 62.34 O ATOM 1922 CB ASN A 124 8.301 0.187 -12.176 1.00 20.02 C ATOM 1923 CG ASN A 124 9.357 0.073 -11.086 1.00 34.10 C ATOM 1924 OD1 ASN A 124 9.569 1.005 -10.309 1.00 12.21 O ATOM 1925 ND2 ASN A 124 10.036 -1.060 -11.028 1.00 3.22 N ATOM 0 H ASN A 124 6.766 -0.319 -10.299 1.00 70.33 H new ATOM 0 HA ASN A 124 7.545 2.099 -11.541 1.00 5.34 H new ATOM 0 HB2 ASN A 124 7.908 -0.805 -12.400 1.00 20.02 H new ATOM 0 HB3 ASN A 124 8.766 0.559 -13.089 1.00 20.02 H new ATOM 0 HD21 ASN A 124 10.763 -1.184 -10.323 1.00 3.22 H new ATOM 0 HD22 ASN A 124 9.833 -1.811 -11.688 1.00 3.22 H new ATOM 1932 N ASN A 125 5.211 0.340 -13.039 1.00 3.41 N ATOM 1933 CA ASN A 125 4.209 0.334 -14.110 1.00 52.33 C ATOM 1934 C ASN A 125 3.291 1.553 -14.024 1.00 12.52 C ATOM 1935 O ASN A 125 2.925 2.136 -15.045 1.00 71.32 O ATOM 1936 CB ASN A 125 3.370 -0.959 -14.042 1.00 21.41 C ATOM 1937 CG ASN A 125 2.194 -0.987 -15.012 1.00 51.32 C ATOM 1938 OD1 ASN A 125 2.235 -0.389 -16.090 1.00 43.32 O ATOM 1939 ND2 ASN A 125 1.134 -1.695 -14.636 1.00 3.24 N ATOM 0 H ASN A 125 5.111 -0.427 -12.374 1.00 3.41 H new ATOM 0 HA ASN A 125 4.738 0.376 -15.062 1.00 52.33 H new ATOM 0 HB2 ASN A 125 4.018 -1.811 -14.248 1.00 21.41 H new ATOM 0 HB3 ASN A 125 2.993 -1.082 -13.027 1.00 21.41 H new ATOM 0 HD21 ASN A 125 0.319 -1.757 -15.246 1.00 3.24 H new ATOM 0 HD22 ASN A 125 1.135 -2.177 -13.737 1.00 3.24 H new ATOM 1946 N ASN A 126 2.921 1.940 -12.808 1.00 61.03 N ATOM 1947 CA ASN A 126 1.922 2.993 -12.619 1.00 12.24 C ATOM 1948 C ASN A 126 2.547 4.330 -12.219 1.00 54.15 C ATOM 1949 O ASN A 126 1.836 5.329 -12.094 1.00 2.24 O ATOM 1950 CB ASN A 126 0.869 2.562 -11.588 1.00 33.11 C ATOM 1951 CG ASN A 126 0.003 1.411 -12.089 1.00 71.12 C ATOM 1952 OD1 ASN A 126 -0.996 1.625 -12.778 1.00 21.50 O ATOM 1953 ND2 ASN A 126 0.367 0.190 -11.734 1.00 43.13 N ATOM 0 H ASN A 126 3.292 1.546 -11.943 1.00 61.03 H new ATOM 0 HA ASN A 126 1.436 3.144 -13.583 1.00 12.24 H new ATOM 0 HB2 ASN A 126 1.368 2.263 -10.666 1.00 33.11 H new ATOM 0 HB3 ASN A 126 0.233 3.413 -11.345 1.00 33.11 H new ATOM 0 HD21 ASN A 126 -0.186 -0.614 -12.032 1.00 43.13 H new ATOM 0 HD22 ASN A 126 1.201 0.052 -11.163 1.00 43.13 H new ATOM 1960 N ILE A 127 3.860 4.353 -11.991 1.00 11.31 N ATOM 1961 CA ILE A 127 4.570 5.622 -11.809 1.00 41.32 C ATOM 1962 C ILE A 127 5.117 6.132 -13.144 1.00 63.55 C ATOM 1963 O ILE A 127 4.840 7.266 -13.542 1.00 1.12 O ATOM 1964 CB ILE A 127 5.729 5.513 -10.783 1.00 33.14 C ATOM 1965 CG1 ILE A 127 5.179 5.232 -9.374 1.00 71.22 C ATOM 1966 CG2 ILE A 127 6.574 6.790 -10.782 1.00 14.41 C ATOM 1967 CD1 ILE A 127 6.251 5.148 -8.309 1.00 11.41 C ATOM 0 H ILE A 127 4.448 3.522 -11.928 1.00 11.31 H new ATOM 0 HA ILE A 127 3.842 6.331 -11.415 1.00 41.32 H new ATOM 0 HB ILE A 127 6.367 4.680 -11.078 1.00 33.14 H new ATOM 0 HG12 ILE A 127 4.473 6.018 -9.106 1.00 71.22 H new ATOM 0 HG13 ILE A 127 4.622 4.295 -9.391 1.00 71.22 H new ATOM 0 HG21 ILE A 127 7.381 6.692 -10.056 1.00 14.41 H new ATOM 0 HG22 ILE A 127 6.996 6.948 -11.774 1.00 14.41 H new ATOM 0 HG23 ILE A 127 5.947 7.641 -10.515 1.00 14.41 H new ATOM 0 HD11 ILE A 127 5.789 4.948 -7.342 1.00 11.41 H new ATOM 0 HD12 ILE A 127 6.944 4.343 -8.553 1.00 11.41 H new ATOM 0 HD13 ILE A 127 6.793 6.092 -8.263 1.00 11.41 H new ATOM 1979 N ASN A 128 5.885 5.294 -13.840 1.00 64.54 N ATOM 1980 CA ASN A 128 6.524 5.696 -15.094 1.00 0.23 C ATOM 1981 C ASN A 128 6.158 4.728 -16.223 1.00 42.31 C ATOM 1982 O ASN A 128 5.079 4.898 -16.826 1.00 22.24 O ATOM 1983 CB ASN A 128 8.052 5.768 -14.919 1.00 1.03 C ATOM 1984 CG ASN A 128 8.503 6.797 -13.888 1.00 40.22 C ATOM 1985 OD1 ASN A 128 9.546 6.639 -13.250 1.00 2.23 O ATOM 1986 ND2 ASN A 128 7.731 7.860 -13.709 1.00 42.35 N ATOM 1987 OXT ASN A 128 6.947 3.800 -16.508 1.00 0.00 O ATOM 0 H ASN A 128 6.080 4.333 -13.558 1.00 64.54 H new ATOM 0 HA ASN A 128 6.159 6.687 -15.363 1.00 0.23 H new ATOM 0 HB2 ASN A 128 8.422 4.786 -14.625 1.00 1.03 H new ATOM 0 HB3 ASN A 128 8.508 6.006 -15.880 1.00 1.03 H new ATOM 0 HD21 ASN A 128 7.995 8.573 -13.029 1.00 42.35 H new ATOM 0 HD22 ASN A 128 6.873 7.965 -14.251 1.00 42.35 H new TER 1994 ASN A 128