USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 944 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 GLN : amide:sc= -0.344 K(o=0.89,f=-9!) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 167:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 35 HIS : no HD1:sc= -1.73! C(o=-0.42!,f=-7.5!) USER MOD Set 2.2: A 89 SER OG : rot 109:sc= 1.32 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.108 (180deg=-0.588) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.0842 (180deg=-0.161) USER MOD Single : A 3 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 4 HIS : no HD1:sc=-0.00281 X(o=-0.0028,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.00046) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc=-0.00605 X(o=-0.0061,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 81:sc= -1.06 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -128:sc= -0.115 (180deg=-0.25) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.192 F(o=-0.86,f=-0.19) USER MOD Single : A 38 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.64) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0547 USER MOD Single : A 53 GLN : amide:sc= 0.705 K(o=0.71,f=-0.3) USER MOD Single : A 56 ASN : amide:sc= -0.089 X(o=-0.089,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 61 SER OG : rot 65:sc= 0.743 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl -175:sc= -0.401 (180deg=-0.528) USER MOD Single : A 78 ASN : amide:sc= 0.19 X(o=0.19,f=-0.022) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.138 F(o=-1.7!,f=-0.14) USER MOD Single : A 83 MET CE :methyl -119:sc= -0.82 (180deg=-1.64!) USER MOD Single : A 85 GLN :FLIP amide:sc= 0.187 F(o=-0.57,f=0.19) USER MOD Single : A 92 MET CE :methyl -156:sc= -0.263 (180deg=-1.09) USER MOD Single : A 93 LYS NZ :NH3+ -144:sc= 1.16 (180deg=-0.381) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.17) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -108:sc= -0.834 (180deg=-3.95!) USER MOD Single : A 113 LYS NZ :NH3+ -108:sc= -0.531 (180deg=-2.33!) USER MOD Single : A 114 GLN : amide:sc= 0.153 K(o=0.15,f=-3.5!) USER MOD Single : A 115 GLN : amide:sc= -0.194 K(o=-0.19,f=-0.8) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.202 -28.869 -16.786 1.00 42.43 N ATOM 2 CA MET A 1 -23.127 -29.174 -15.339 1.00 60.11 C ATOM 3 C MET A 1 -21.691 -29.054 -14.845 1.00 4.51 C ATOM 4 O MET A 1 -20.778 -28.778 -15.625 1.00 44.33 O ATOM 5 CB MET A 1 -23.658 -30.584 -15.057 1.00 52.13 C ATOM 6 CG MET A 1 -25.112 -30.781 -15.452 1.00 23.31 C ATOM 7 SD MET A 1 -25.730 -32.424 -15.043 1.00 74.41 S ATOM 8 CE MET A 1 -25.652 -32.388 -13.251 1.00 65.44 C ATOM 0 H1 MET A 1 -23.957 -28.174 -16.956 1.00 42.43 H new ATOM 0 H2 MET A 1 -22.293 -28.478 -17.106 1.00 42.43 H new ATOM 0 H3 MET A 1 -23.409 -29.741 -17.314 1.00 42.43 H new ATOM 0 HA MET A 1 -23.747 -28.453 -14.806 1.00 60.11 H new ATOM 0 HB2 MET A 1 -23.044 -31.308 -15.593 1.00 52.13 H new ATOM 0 HB3 MET A 1 -23.548 -30.798 -13.994 1.00 52.13 H new ATOM 0 HG2 MET A 1 -25.725 -30.032 -14.950 1.00 23.31 H new ATOM 0 HG3 MET A 1 -25.218 -30.614 -16.524 1.00 23.31 H new ATOM 0 HE1 MET A 1 -26.310 -33.155 -12.843 1.00 65.44 H new ATOM 0 HE2 MET A 1 -24.629 -32.578 -12.927 1.00 65.44 H new ATOM 0 HE3 MET A 1 -25.970 -31.409 -12.893 1.00 65.44 H new ATOM 20 N GLY A 2 -21.495 -29.270 -13.550 1.00 53.33 N ATOM 21 CA GLY A 2 -20.185 -29.112 -12.954 1.00 41.10 C ATOM 22 C GLY A 2 -19.247 -30.263 -13.260 1.00 70.13 C ATOM 23 O GLY A 2 -19.037 -31.145 -12.428 1.00 25.25 O ATOM 0 H GLY A 2 -22.227 -29.554 -12.899 1.00 53.33 H new ATOM 0 HA2 GLY A 2 -19.740 -28.184 -13.312 1.00 41.10 H new ATOM 0 HA3 GLY A 2 -20.293 -29.018 -11.874 1.00 41.10 H new ATOM 27 N HIS A 3 -18.700 -30.265 -14.466 1.00 73.21 N ATOM 28 CA HIS A 3 -17.701 -31.249 -14.857 1.00 21.12 C ATOM 29 C HIS A 3 -16.468 -30.550 -15.402 1.00 54.13 C ATOM 30 O HIS A 3 -16.435 -30.141 -16.561 1.00 3.41 O ATOM 31 CB HIS A 3 -18.249 -32.218 -15.908 1.00 71.25 C ATOM 32 CG HIS A 3 -19.274 -33.168 -15.381 1.00 12.24 C ATOM 33 ND1 HIS A 3 -18.958 -34.398 -14.853 1.00 3.42 N ATOM 34 CD2 HIS A 3 -20.620 -33.065 -15.311 1.00 14.41 C ATOM 35 CE1 HIS A 3 -20.065 -35.010 -14.481 1.00 62.31 C ATOM 36 NE2 HIS A 3 -21.089 -34.222 -14.747 1.00 2.12 N ATOM 0 H HIS A 3 -18.933 -29.591 -15.196 1.00 73.21 H new ATOM 0 HA HIS A 3 -17.436 -31.824 -13.970 1.00 21.12 H new ATOM 0 HB2 HIS A 3 -18.687 -31.643 -16.724 1.00 71.25 H new ATOM 0 HB3 HIS A 3 -17.421 -32.789 -16.328 1.00 71.25 H new ATOM 0 HD2 HIS A 3 -21.215 -32.226 -15.639 1.00 14.41 H new ATOM 0 HE1 HIS A 3 -20.124 -35.991 -14.034 1.00 62.31 H new ATOM 0 HE2 HIS A 3 -22.069 -34.439 -14.563 1.00 2.12 H new ATOM 45 N HIS A 4 -15.473 -30.384 -14.548 1.00 4.12 N ATOM 46 CA HIS A 4 -14.213 -29.790 -14.955 1.00 14.54 C ATOM 47 C HIS A 4 -13.306 -30.879 -15.514 1.00 20.12 C ATOM 48 O HIS A 4 -12.912 -31.798 -14.798 1.00 44.31 O ATOM 49 CB HIS A 4 -13.560 -29.078 -13.766 1.00 42.21 C ATOM 50 CG HIS A 4 -12.329 -28.292 -14.107 1.00 1.01 C ATOM 51 ND1 HIS A 4 -12.362 -27.084 -14.772 1.00 54.15 N ATOM 52 CD2 HIS A 4 -11.025 -28.536 -13.844 1.00 41.25 C ATOM 53 CE1 HIS A 4 -11.129 -26.622 -14.899 1.00 22.54 C ATOM 54 NE2 HIS A 4 -10.300 -27.485 -14.344 1.00 35.55 N ATOM 0 H HIS A 4 -15.514 -30.654 -13.565 1.00 4.12 H new ATOM 0 HA HIS A 4 -14.386 -29.046 -15.733 1.00 14.54 H new ATOM 0 HB2 HIS A 4 -14.291 -28.406 -13.316 1.00 42.21 H new ATOM 0 HB3 HIS A 4 -13.303 -29.821 -13.011 1.00 42.21 H new ATOM 0 HD2 HIS A 4 -10.627 -29.401 -13.333 1.00 41.25 H new ATOM 0 HE1 HIS A 4 -10.848 -25.695 -15.376 1.00 22.54 H new ATOM 0 HE2 HIS A 4 -9.286 -27.387 -14.295 1.00 35.55 H new ATOM 63 N HIS A 5 -12.996 -30.768 -16.799 1.00 22.33 N ATOM 64 CA HIS A 5 -12.233 -31.788 -17.516 1.00 73.44 C ATOM 65 C HIS A 5 -10.826 -31.944 -16.935 1.00 22.02 C ATOM 66 O HIS A 5 -10.193 -32.993 -17.087 1.00 1.41 O ATOM 67 CB HIS A 5 -12.171 -31.423 -19.007 1.00 62.41 C ATOM 68 CG HIS A 5 -11.504 -32.449 -19.872 1.00 2.45 C ATOM 69 ND1 HIS A 5 -12.126 -33.607 -20.287 1.00 13.50 N ATOM 70 CD2 HIS A 5 -10.268 -32.472 -20.423 1.00 62.10 C ATOM 71 CE1 HIS A 5 -11.302 -34.296 -21.052 1.00 55.23 C ATOM 72 NE2 HIS A 5 -10.169 -33.630 -21.151 1.00 43.31 N ATOM 0 H HIS A 5 -13.265 -29.970 -17.375 1.00 22.33 H new ATOM 0 HA HIS A 5 -12.737 -32.748 -17.400 1.00 73.44 H new ATOM 0 HB2 HIS A 5 -13.186 -31.264 -19.371 1.00 62.41 H new ATOM 0 HB3 HIS A 5 -11.642 -30.476 -19.114 1.00 62.41 H new ATOM 0 HD2 HIS A 5 -9.502 -31.719 -20.310 1.00 62.10 H new ATOM 0 HE1 HIS A 5 -11.519 -35.246 -21.519 1.00 55.23 H new ATOM 0 HE2 HIS A 5 -9.351 -33.928 -21.683 1.00 43.31 H new ATOM 81 N HIS A 6 -10.348 -30.889 -16.280 1.00 51.35 N ATOM 82 CA HIS A 6 -9.041 -30.894 -15.627 1.00 2.14 C ATOM 83 C HIS A 6 -7.937 -31.067 -16.665 1.00 42.41 C ATOM 84 O HIS A 6 -7.382 -32.154 -16.841 1.00 71.22 O ATOM 85 CB HIS A 6 -8.961 -31.991 -14.553 1.00 21.14 C ATOM 86 CG HIS A 6 -7.719 -31.931 -13.715 1.00 62.50 C ATOM 87 ND1 HIS A 6 -6.687 -32.836 -13.830 1.00 21.43 N ATOM 88 CD2 HIS A 6 -7.351 -31.069 -12.736 1.00 41.44 C ATOM 89 CE1 HIS A 6 -5.742 -32.536 -12.962 1.00 73.05 C ATOM 90 NE2 HIS A 6 -6.119 -31.468 -12.289 1.00 62.25 N ATOM 0 H HIS A 6 -10.854 -30.008 -16.187 1.00 51.35 H new ATOM 0 HA HIS A 6 -8.903 -29.935 -15.128 1.00 2.14 H new ATOM 0 HB2 HIS A 6 -9.831 -31.912 -13.901 1.00 21.14 H new ATOM 0 HB3 HIS A 6 -9.013 -32.966 -15.038 1.00 21.14 H new ATOM 0 HD2 HIS A 6 -7.922 -30.226 -12.376 1.00 41.44 H new ATOM 0 HE1 HIS A 6 -4.816 -33.074 -12.825 1.00 73.05 H new ATOM 0 HE2 HIS A 6 -5.580 -31.011 -11.553 1.00 62.25 H new ATOM 99 N HIS A 7 -7.655 -29.987 -17.373 1.00 1.13 N ATOM 100 CA HIS A 7 -6.650 -29.993 -18.426 1.00 54.52 C ATOM 101 C HIS A 7 -5.248 -30.152 -17.847 1.00 33.44 C ATOM 102 O HIS A 7 -4.364 -30.694 -18.512 1.00 24.02 O ATOM 103 CB HIS A 7 -6.742 -28.702 -19.254 1.00 61.41 C ATOM 104 CG HIS A 7 -5.719 -28.598 -20.350 1.00 11.02 C ATOM 105 ND1 HIS A 7 -4.719 -27.651 -20.356 1.00 52.33 N ATOM 106 CD2 HIS A 7 -5.549 -29.324 -21.480 1.00 53.30 C ATOM 107 CE1 HIS A 7 -3.980 -27.797 -21.440 1.00 50.02 C ATOM 108 NE2 HIS A 7 -4.461 -28.808 -22.140 1.00 31.40 N ATOM 0 H HIS A 7 -8.112 -29.085 -17.237 1.00 1.13 H new ATOM 0 HA HIS A 7 -6.845 -30.846 -19.076 1.00 54.52 H new ATOM 0 HB2 HIS A 7 -7.737 -28.636 -19.694 1.00 61.41 H new ATOM 0 HB3 HIS A 7 -6.631 -27.847 -18.587 1.00 61.41 H new ATOM 0 HD2 HIS A 7 -6.157 -30.156 -21.803 1.00 53.30 H new ATOM 0 HE1 HIS A 7 -3.127 -27.192 -21.709 1.00 50.02 H new ATOM 0 HE2 HIS A 7 -4.086 -29.149 -23.025 1.00 31.40 H new ATOM 117 N HIS A 8 -5.062 -29.694 -16.607 1.00 3.00 N ATOM 118 CA HIS A 8 -3.747 -29.695 -15.969 1.00 42.13 C ATOM 119 C HIS A 8 -2.815 -28.758 -16.736 1.00 54.22 C ATOM 120 O HIS A 8 -2.182 -29.157 -17.712 1.00 64.34 O ATOM 121 CB HIS A 8 -3.173 -31.126 -15.887 1.00 23.42 C ATOM 122 CG HIS A 8 -1.745 -31.210 -15.423 1.00 10.12 C ATOM 123 ND1 HIS A 8 -0.790 -31.946 -16.088 1.00 73.20 N ATOM 124 CD2 HIS A 8 -1.114 -30.661 -14.358 1.00 2.03 C ATOM 125 CE1 HIS A 8 0.362 -31.845 -15.456 1.00 4.41 C ATOM 126 NE2 HIS A 8 0.196 -31.071 -14.404 1.00 30.33 N ATOM 0 H HIS A 8 -5.809 -29.317 -16.024 1.00 3.00 H new ATOM 0 HA HIS A 8 -3.842 -29.333 -14.945 1.00 42.13 H new ATOM 0 HB2 HIS A 8 -3.795 -31.713 -15.211 1.00 23.42 H new ATOM 0 HB3 HIS A 8 -3.248 -31.589 -16.871 1.00 23.42 H new ATOM 0 HD2 HIS A 8 -1.558 -30.020 -13.611 1.00 2.03 H new ATOM 0 HE1 HIS A 8 1.287 -32.318 -15.751 1.00 4.41 H new ATOM 0 HE2 HIS A 8 0.921 -30.817 -13.733 1.00 30.33 H new ATOM 135 N SER A 9 -2.776 -27.505 -16.297 1.00 10.51 N ATOM 136 CA SER A 9 -2.016 -26.461 -16.974 1.00 15.23 C ATOM 137 C SER A 9 -0.557 -26.868 -17.160 1.00 44.11 C ATOM 138 O SER A 9 0.237 -26.852 -16.217 1.00 53.33 O ATOM 139 CB SER A 9 -2.125 -25.157 -16.181 1.00 42.24 C ATOM 140 OG SER A 9 -3.487 -24.828 -15.938 1.00 52.35 O ATOM 0 H SER A 9 -3.269 -27.185 -15.464 1.00 10.51 H new ATOM 0 HA SER A 9 -2.436 -26.310 -17.968 1.00 15.23 H new ATOM 0 HB2 SER A 9 -1.595 -25.257 -15.234 1.00 42.24 H new ATOM 0 HB3 SER A 9 -1.643 -24.349 -16.732 1.00 42.24 H new ATOM 0 HG SER A 9 -3.536 -23.992 -15.428 1.00 52.35 H new ATOM 146 N HIS A 10 -0.217 -27.249 -18.381 1.00 34.24 N ATOM 147 CA HIS A 10 1.118 -27.718 -18.697 1.00 42.32 C ATOM 148 C HIS A 10 1.855 -26.651 -19.493 1.00 11.15 C ATOM 149 O HIS A 10 1.676 -26.527 -20.706 1.00 43.43 O ATOM 150 CB HIS A 10 1.045 -29.036 -19.482 1.00 73.14 C ATOM 151 CG HIS A 10 2.366 -29.726 -19.650 1.00 74.33 C ATOM 152 ND1 HIS A 10 2.662 -30.528 -20.730 1.00 12.12 N ATOM 153 CD2 HIS A 10 3.457 -29.758 -18.852 1.00 14.43 C ATOM 154 CE1 HIS A 10 3.876 -31.024 -20.588 1.00 54.23 C ATOM 155 NE2 HIS A 10 4.380 -30.571 -19.459 1.00 54.13 N ATOM 0 H HIS A 10 -0.857 -27.241 -19.176 1.00 34.24 H new ATOM 0 HA HIS A 10 1.666 -27.906 -17.774 1.00 42.32 H new ATOM 0 HB2 HIS A 10 0.357 -29.711 -18.973 1.00 73.14 H new ATOM 0 HB3 HIS A 10 0.624 -28.836 -20.467 1.00 73.14 H new ATOM 0 HD2 HIS A 10 3.579 -29.240 -17.912 1.00 14.43 H new ATOM 0 HE1 HIS A 10 4.372 -31.688 -21.280 1.00 54.23 H new ATOM 0 HE2 HIS A 10 5.307 -30.789 -19.095 1.00 54.13 H new ATOM 164 N MET A 11 2.656 -25.863 -18.797 1.00 60.23 N ATOM 165 CA MET A 11 3.366 -24.756 -19.418 1.00 43.34 C ATOM 166 C MET A 11 4.849 -24.827 -19.088 1.00 3.53 C ATOM 167 O MET A 11 5.235 -25.315 -18.023 1.00 53.23 O ATOM 168 CB MET A 11 2.775 -23.416 -18.956 1.00 70.43 C ATOM 169 CG MET A 11 2.803 -23.222 -17.447 1.00 33.00 C ATOM 170 SD MET A 11 2.043 -21.670 -16.928 1.00 41.25 S ATOM 171 CE MET A 11 2.235 -21.784 -15.148 1.00 11.03 C ATOM 0 H MET A 11 2.832 -25.969 -17.798 1.00 60.23 H new ATOM 0 HA MET A 11 3.249 -24.830 -20.499 1.00 43.34 H new ATOM 0 HB2 MET A 11 3.327 -22.604 -19.428 1.00 70.43 H new ATOM 0 HB3 MET A 11 1.744 -23.345 -19.303 1.00 70.43 H new ATOM 0 HG2 MET A 11 2.285 -24.053 -16.969 1.00 33.00 H new ATOM 0 HG3 MET A 11 3.836 -23.249 -17.101 1.00 33.00 H new ATOM 0 HE1 MET A 11 1.813 -20.895 -14.679 1.00 11.03 H new ATOM 0 HE2 MET A 11 1.715 -22.669 -14.782 1.00 11.03 H new ATOM 0 HE3 MET A 11 3.294 -21.857 -14.900 1.00 11.03 H new ATOM 181 N ALA A 12 5.677 -24.365 -20.010 1.00 52.44 N ATOM 182 CA ALA A 12 7.120 -24.378 -19.811 1.00 12.23 C ATOM 183 C ALA A 12 7.740 -23.040 -20.187 1.00 62.32 C ATOM 184 O ALA A 12 8.943 -22.832 -20.012 1.00 72.34 O ATOM 185 CB ALA A 12 7.758 -25.497 -20.618 1.00 22.51 C ATOM 0 H ALA A 12 5.377 -23.976 -20.904 1.00 52.44 H new ATOM 0 HA ALA A 12 7.309 -24.554 -18.752 1.00 12.23 H new ATOM 0 HB1 ALA A 12 8.836 -25.492 -20.458 1.00 22.51 H new ATOM 0 HB2 ALA A 12 7.348 -26.455 -20.299 1.00 22.51 H new ATOM 0 HB3 ALA A 12 7.548 -25.347 -21.677 1.00 22.51 H new ATOM 191 N GLN A 13 6.924 -22.135 -20.707 1.00 25.43 N ATOM 192 CA GLN A 13 7.412 -20.828 -21.121 1.00 24.52 C ATOM 193 C GLN A 13 7.170 -19.787 -20.034 1.00 33.21 C ATOM 194 O GLN A 13 6.084 -19.719 -19.451 1.00 45.34 O ATOM 195 CB GLN A 13 6.738 -20.392 -22.424 1.00 11.11 C ATOM 196 CG GLN A 13 7.247 -19.058 -22.947 1.00 50.34 C ATOM 197 CD GLN A 13 6.509 -18.587 -24.179 1.00 63.44 C ATOM 198 OE1 GLN A 13 5.499 -17.892 -24.082 1.00 70.35 O ATOM 199 NE2 GLN A 13 7.014 -18.957 -25.344 1.00 51.54 N ATOM 0 H GLN A 13 5.925 -22.281 -20.852 1.00 25.43 H new ATOM 0 HA GLN A 13 8.486 -20.908 -21.289 1.00 24.52 H new ATOM 0 HB2 GLN A 13 6.900 -21.158 -23.183 1.00 11.11 H new ATOM 0 HB3 GLN A 13 5.662 -20.325 -22.264 1.00 11.11 H new ATOM 0 HG2 GLN A 13 7.152 -18.306 -22.163 1.00 50.34 H new ATOM 0 HG3 GLN A 13 8.309 -19.145 -23.177 1.00 50.34 H new ATOM 0 HE21 GLN A 13 7.854 -19.534 -25.375 1.00 51.54 H new ATOM 0 HE22 GLN A 13 6.563 -18.665 -26.211 1.00 51.54 H new ATOM 208 N PHE A 14 8.191 -18.993 -19.760 1.00 71.40 N ATOM 209 CA PHE A 14 8.098 -17.919 -18.787 1.00 74.20 C ATOM 210 C PHE A 14 9.010 -16.771 -19.209 1.00 31.22 C ATOM 211 O PHE A 14 9.997 -16.997 -19.911 1.00 63.41 O ATOM 212 CB PHE A 14 8.467 -18.428 -17.383 1.00 60.10 C ATOM 213 CG PHE A 14 9.761 -19.197 -17.317 1.00 33.32 C ATOM 214 CD1 PHE A 14 10.966 -18.545 -17.115 1.00 41.32 C ATOM 215 CD2 PHE A 14 9.765 -20.578 -17.448 1.00 13.01 C ATOM 216 CE1 PHE A 14 12.151 -19.253 -17.046 1.00 20.13 C ATOM 217 CE2 PHE A 14 10.946 -21.290 -17.384 1.00 74.01 C ATOM 218 CZ PHE A 14 12.141 -20.628 -17.180 1.00 62.42 C ATOM 0 H PHE A 14 9.105 -19.075 -20.205 1.00 71.40 H new ATOM 0 HA PHE A 14 7.071 -17.557 -18.748 1.00 74.20 H new ATOM 0 HB2 PHE A 14 8.531 -17.576 -16.707 1.00 60.10 H new ATOM 0 HB3 PHE A 14 7.661 -19.065 -17.018 1.00 60.10 H new ATOM 0 HD1 PHE A 14 10.980 -17.470 -17.010 1.00 41.32 H new ATOM 0 HD2 PHE A 14 8.833 -21.102 -17.602 1.00 13.01 H new ATOM 0 HE1 PHE A 14 13.084 -18.732 -16.888 1.00 20.13 H new ATOM 0 HE2 PHE A 14 10.936 -22.364 -17.493 1.00 74.01 H new ATOM 0 HZ PHE A 14 13.065 -21.184 -17.125 1.00 62.42 H new ATOM 228 N PRO A 15 8.683 -15.531 -18.812 1.00 40.04 N ATOM 229 CA PRO A 15 9.483 -14.357 -19.163 1.00 51.02 C ATOM 230 C PRO A 15 10.904 -14.442 -18.622 1.00 30.31 C ATOM 231 O PRO A 15 11.124 -14.702 -17.433 1.00 43.21 O ATOM 232 CB PRO A 15 8.738 -13.187 -18.520 1.00 50.30 C ATOM 233 CG PRO A 15 7.862 -13.801 -17.488 1.00 61.20 C ATOM 234 CD PRO A 15 7.513 -15.171 -17.998 1.00 42.13 C ATOM 0 HA PRO A 15 9.590 -14.258 -20.243 1.00 51.02 H new ATOM 0 HB2 PRO A 15 9.433 -12.476 -18.074 1.00 50.30 H new ATOM 0 HB3 PRO A 15 8.152 -12.640 -19.259 1.00 50.30 H new ATOM 0 HG2 PRO A 15 8.374 -13.862 -16.528 1.00 61.20 H new ATOM 0 HG3 PRO A 15 6.964 -13.203 -17.333 1.00 61.20 H new ATOM 0 HD2 PRO A 15 7.356 -15.877 -17.182 1.00 42.13 H new ATOM 0 HD3 PRO A 15 6.598 -15.160 -18.590 1.00 42.13 H new ATOM 242 N THR A 16 11.855 -14.225 -19.504 1.00 35.54 N ATOM 243 CA THR A 16 13.262 -14.302 -19.158 1.00 20.15 C ATOM 244 C THR A 16 13.738 -12.959 -18.592 1.00 21.15 C ATOM 245 O THR A 16 13.255 -11.901 -18.999 1.00 71.13 O ATOM 246 CB THR A 16 14.106 -14.711 -20.395 1.00 5.40 C ATOM 247 OG1 THR A 16 15.462 -14.992 -20.022 1.00 71.14 O ATOM 248 CG2 THR A 16 14.087 -13.626 -21.463 1.00 51.11 C ATOM 0 H THR A 16 11.678 -13.990 -20.481 1.00 35.54 H new ATOM 0 HA THR A 16 13.395 -15.067 -18.393 1.00 20.15 H new ATOM 0 HB THR A 16 13.655 -15.614 -20.807 1.00 5.40 H new ATOM 0 HG1 THR A 16 15.520 -15.900 -19.658 1.00 71.14 H new ATOM 0 HG21 THR A 16 14.687 -13.944 -22.315 1.00 51.11 H new ATOM 0 HG22 THR A 16 13.061 -13.452 -21.787 1.00 51.11 H new ATOM 0 HG23 THR A 16 14.499 -12.704 -21.053 1.00 51.11 H new ATOM 256 N PRO A 17 14.666 -12.986 -17.618 1.00 63.34 N ATOM 257 CA PRO A 17 15.210 -11.772 -17.011 1.00 4.40 C ATOM 258 C PRO A 17 15.904 -10.878 -18.031 1.00 11.21 C ATOM 259 O PRO A 17 16.789 -11.315 -18.772 1.00 0.21 O ATOM 260 CB PRO A 17 16.212 -12.286 -15.973 1.00 74.10 C ATOM 261 CG PRO A 17 16.499 -13.695 -16.364 1.00 51.13 C ATOM 262 CD PRO A 17 15.255 -14.199 -17.037 1.00 71.33 C ATOM 0 HA PRO A 17 14.423 -11.155 -16.577 1.00 4.40 H new ATOM 0 HB2 PRO A 17 17.121 -11.685 -15.974 1.00 74.10 H new ATOM 0 HB3 PRO A 17 15.797 -12.234 -14.967 1.00 74.10 H new ATOM 0 HG2 PRO A 17 17.355 -13.747 -17.037 1.00 51.13 H new ATOM 0 HG3 PRO A 17 16.743 -14.300 -15.491 1.00 51.13 H new ATOM 0 HD2 PRO A 17 15.485 -14.940 -17.802 1.00 71.33 H new ATOM 0 HD3 PRO A 17 14.578 -14.674 -16.327 1.00 71.33 H new ATOM 270 N PHE A 18 15.485 -9.628 -18.066 1.00 0.41 N ATOM 271 CA PHE A 18 16.027 -8.654 -18.999 1.00 73.02 C ATOM 272 C PHE A 18 16.612 -7.465 -18.245 1.00 11.31 C ATOM 273 O PHE A 18 16.565 -7.421 -17.011 1.00 34.11 O ATOM 274 CB PHE A 18 14.940 -8.193 -19.983 1.00 72.15 C ATOM 275 CG PHE A 18 13.739 -7.562 -19.326 1.00 33.41 C ATOM 276 CD1 PHE A 18 12.757 -8.344 -18.736 1.00 72.34 C ATOM 277 CD2 PHE A 18 13.590 -6.186 -19.307 1.00 64.13 C ATOM 278 CE1 PHE A 18 11.655 -7.763 -18.137 1.00 30.15 C ATOM 279 CE2 PHE A 18 12.491 -5.600 -18.710 1.00 74.02 C ATOM 280 CZ PHE A 18 11.521 -6.390 -18.124 1.00 24.22 C ATOM 0 H PHE A 18 14.761 -9.258 -17.451 1.00 0.41 H new ATOM 0 HA PHE A 18 16.828 -9.125 -19.569 1.00 73.02 H new ATOM 0 HB2 PHE A 18 15.376 -7.478 -20.680 1.00 72.15 H new ATOM 0 HB3 PHE A 18 14.610 -9.050 -20.570 1.00 72.15 H new ATOM 0 HD1 PHE A 18 12.855 -9.420 -18.745 1.00 72.34 H new ATOM 0 HD2 PHE A 18 14.343 -5.562 -19.765 1.00 64.13 H new ATOM 0 HE1 PHE A 18 10.899 -8.384 -17.679 1.00 30.15 H new ATOM 0 HE2 PHE A 18 12.390 -4.525 -18.701 1.00 74.02 H new ATOM 0 HZ PHE A 18 10.660 -5.934 -17.657 1.00 24.22 H new ATOM 290 N GLY A 19 17.167 -6.516 -18.988 1.00 31.51 N ATOM 291 CA GLY A 19 17.803 -5.359 -18.383 1.00 35.45 C ATOM 292 C GLY A 19 16.840 -4.507 -17.576 1.00 14.51 C ATOM 293 O GLY A 19 15.728 -4.219 -18.021 1.00 1.52 O ATOM 0 H GLY A 19 17.188 -6.527 -20.008 1.00 31.51 H new ATOM 0 HA2 GLY A 19 18.613 -5.694 -17.735 1.00 35.45 H new ATOM 0 HA3 GLY A 19 18.252 -4.748 -19.166 1.00 35.45 H new ATOM 297 N GLY A 20 17.271 -4.102 -16.391 1.00 55.34 N ATOM 298 CA GLY A 20 16.438 -3.292 -15.527 1.00 51.24 C ATOM 299 C GLY A 20 17.182 -2.084 -15.005 1.00 71.24 C ATOM 300 O GLY A 20 18.307 -2.205 -14.515 1.00 33.25 O ATOM 0 H GLY A 20 18.191 -4.322 -16.010 1.00 55.34 H new ATOM 0 HA2 GLY A 20 15.554 -2.966 -16.075 1.00 51.24 H new ATOM 0 HA3 GLY A 20 16.089 -3.895 -14.689 1.00 51.24 H new ATOM 304 N SER A 21 16.558 -0.922 -15.116 1.00 4.43 N ATOM 305 CA SER A 21 17.173 0.325 -14.684 1.00 62.31 C ATOM 306 C SER A 21 17.007 0.525 -13.179 1.00 1.42 C ATOM 307 O SER A 21 16.428 -0.318 -12.488 1.00 22.32 O ATOM 308 CB SER A 21 16.548 1.496 -15.444 1.00 11.14 C ATOM 309 OG SER A 21 16.663 1.313 -16.847 1.00 21.31 O ATOM 0 H SER A 21 15.621 -0.816 -15.504 1.00 4.43 H new ATOM 0 HA SER A 21 18.240 0.279 -14.902 1.00 62.31 H new ATOM 0 HB2 SER A 21 15.497 1.591 -15.171 1.00 11.14 H new ATOM 0 HB3 SER A 21 17.038 2.425 -15.154 1.00 11.14 H new ATOM 0 HG SER A 21 16.255 2.074 -17.311 1.00 21.31 H new ATOM 315 N LEU A 22 17.528 1.637 -12.677 1.00 51.33 N ATOM 316 CA LEU A 22 17.398 1.976 -11.267 1.00 53.04 C ATOM 317 C LEU A 22 16.137 2.796 -11.049 1.00 43.22 C ATOM 318 O LEU A 22 15.824 3.682 -11.849 1.00 20.13 O ATOM 319 CB LEU A 22 18.612 2.770 -10.761 1.00 10.05 C ATOM 320 CG LEU A 22 19.925 1.988 -10.625 1.00 42.22 C ATOM 321 CD1 LEU A 22 20.516 1.650 -11.988 1.00 2.44 C ATOM 322 CD2 LEU A 22 20.921 2.781 -9.792 1.00 23.32 C ATOM 0 H LEU A 22 18.046 2.321 -13.228 1.00 51.33 H new ATOM 0 HA LEU A 22 17.342 1.043 -10.706 1.00 53.04 H new ATOM 0 HB2 LEU A 22 18.780 3.607 -11.439 1.00 10.05 H new ATOM 0 HB3 LEU A 22 18.363 3.193 -9.788 1.00 10.05 H new ATOM 0 HG LEU A 22 19.708 1.048 -10.119 1.00 42.22 H new ATOM 0 HD11 LEU A 22 21.445 1.096 -11.854 1.00 2.44 H new ATOM 0 HD12 LEU A 22 19.808 1.041 -12.551 1.00 2.44 H new ATOM 0 HD13 LEU A 22 20.718 2.571 -12.536 1.00 2.44 H new ATOM 0 HD21 LEU A 22 21.850 2.217 -9.701 1.00 23.32 H new ATOM 0 HD22 LEU A 22 21.122 3.736 -10.277 1.00 23.32 H new ATOM 0 HD23 LEU A 22 20.506 2.958 -8.800 1.00 23.32 H new ATOM 334 N ASP A 23 15.422 2.504 -9.971 1.00 53.13 N ATOM 335 CA ASP A 23 14.177 3.184 -9.673 1.00 63.32 C ATOM 336 C ASP A 23 13.758 2.935 -8.234 1.00 52.43 C ATOM 337 O ASP A 23 14.125 1.931 -7.620 1.00 64.30 O ATOM 338 CB ASP A 23 13.070 2.734 -10.627 1.00 71.45 C ATOM 339 CG ASP A 23 11.709 3.251 -10.214 1.00 62.24 C ATOM 340 OD1 ASP A 23 11.590 4.463 -9.919 1.00 24.24 O ATOM 341 OD2 ASP A 23 10.768 2.440 -10.139 1.00 31.31 O ATOM 0 H ASP A 23 15.688 1.796 -9.287 1.00 53.13 H new ATOM 0 HA ASP A 23 14.339 4.253 -9.809 1.00 63.32 H new ATOM 0 HB2 ASP A 23 13.298 3.082 -11.634 1.00 71.45 H new ATOM 0 HB3 ASP A 23 13.046 1.645 -10.664 1.00 71.45 H new ATOM 346 N THR A 24 12.991 3.860 -7.707 1.00 40.14 N ATOM 347 CA THR A 24 12.499 3.781 -6.348 1.00 61.00 C ATOM 348 C THR A 24 11.024 4.176 -6.277 1.00 33.30 C ATOM 349 O THR A 24 10.250 3.587 -5.522 1.00 23.33 O ATOM 350 CB THR A 24 13.310 4.716 -5.431 1.00 65.41 C ATOM 351 OG1 THR A 24 14.715 4.468 -5.596 1.00 4.53 O ATOM 352 CG2 THR A 24 12.930 4.530 -3.968 1.00 22.31 C ATOM 0 H THR A 24 12.688 4.694 -8.210 1.00 40.14 H new ATOM 0 HA THR A 24 12.610 2.749 -6.015 1.00 61.00 H new ATOM 0 HB THR A 24 13.080 5.743 -5.716 1.00 65.41 H new ATOM 0 HG1 THR A 24 15.224 5.067 -5.011 1.00 4.53 H new ATOM 0 HG21 THR A 24 13.522 5.205 -3.350 1.00 22.31 H new ATOM 0 HG22 THR A 24 11.871 4.751 -3.836 1.00 22.31 H new ATOM 0 HG23 THR A 24 13.125 3.500 -3.669 1.00 22.31 H new ATOM 360 N TRP A 25 10.638 5.155 -7.091 1.00 4.12 N ATOM 361 CA TRP A 25 9.329 5.776 -6.966 1.00 24.22 C ATOM 362 C TRP A 25 8.423 5.475 -8.151 1.00 62.11 C ATOM 363 O TRP A 25 7.215 5.682 -8.079 1.00 72.52 O ATOM 364 CB TRP A 25 9.489 7.286 -6.817 1.00 74.41 C ATOM 365 CG TRP A 25 10.084 7.694 -5.505 1.00 22.32 C ATOM 366 CD1 TRP A 25 11.215 8.433 -5.307 1.00 24.22 C ATOM 367 CD2 TRP A 25 9.582 7.373 -4.202 1.00 75.22 C ATOM 368 NE1 TRP A 25 11.444 8.596 -3.961 1.00 62.32 N ATOM 369 CE2 TRP A 25 10.454 7.952 -3.263 1.00 23.33 C ATOM 370 CE3 TRP A 25 8.478 6.655 -3.744 1.00 32.03 C ATOM 371 CZ2 TRP A 25 10.253 7.830 -1.889 1.00 13.23 C ATOM 372 CZ3 TRP A 25 8.280 6.534 -2.385 1.00 71.43 C ATOM 373 CH2 TRP A 25 9.162 7.119 -1.471 1.00 73.22 C ATOM 0 H TRP A 25 11.215 5.533 -7.843 1.00 4.12 H new ATOM 0 HA TRP A 25 8.856 5.354 -6.079 1.00 24.22 H new ATOM 0 HB2 TRP A 25 10.119 7.659 -7.625 1.00 74.41 H new ATOM 0 HB3 TRP A 25 8.514 7.760 -6.928 1.00 74.41 H new ATOM 0 HD1 TRP A 25 11.839 8.832 -6.093 1.00 24.22 H new ATOM 0 HE1 TRP A 25 12.222 9.111 -3.549 1.00 62.32 H new ATOM 0 HE3 TRP A 25 7.790 6.201 -4.442 1.00 32.03 H new ATOM 0 HZ2 TRP A 25 10.933 8.280 -1.181 1.00 13.23 H new ATOM 0 HZ3 TRP A 25 7.429 5.978 -2.020 1.00 71.43 H new ATOM 0 HH2 TRP A 25 8.978 7.007 -0.413 1.00 73.22 H new ATOM 384 N ALA A 26 8.995 5.011 -9.243 1.00 12.13 N ATOM 385 CA ALA A 26 8.199 4.717 -10.425 1.00 14.11 C ATOM 386 C ALA A 26 7.554 3.344 -10.305 1.00 30.51 C ATOM 387 O ALA A 26 7.931 2.536 -9.454 1.00 42.23 O ATOM 388 CB ALA A 26 9.040 4.807 -11.689 1.00 23.32 C ATOM 0 H ALA A 26 9.994 4.830 -9.341 1.00 12.13 H new ATOM 0 HA ALA A 26 7.410 5.465 -10.495 1.00 14.11 H new ATOM 0 HB1 ALA A 26 8.419 4.582 -12.556 1.00 23.32 H new ATOM 0 HB2 ALA A 26 9.446 5.814 -11.785 1.00 23.32 H new ATOM 0 HB3 ALA A 26 9.858 4.089 -11.633 1.00 23.32 H new ATOM 394 N ILE A 27 6.566 3.087 -11.149 1.00 43.51 N ATOM 395 CA ILE A 27 5.874 1.811 -11.141 1.00 35.12 C ATOM 396 C ILE A 27 6.119 1.071 -12.450 1.00 63.23 C ATOM 397 O ILE A 27 5.468 1.331 -13.463 1.00 75.34 O ATOM 398 CB ILE A 27 4.353 1.986 -10.917 1.00 30.52 C ATOM 399 CG1 ILE A 27 4.093 2.760 -9.621 1.00 20.21 C ATOM 400 CG2 ILE A 27 3.656 0.630 -10.872 1.00 73.42 C ATOM 401 CD1 ILE A 27 2.630 3.044 -9.356 1.00 41.21 C ATOM 0 H ILE A 27 6.227 3.747 -11.848 1.00 43.51 H new ATOM 0 HA ILE A 27 6.272 1.227 -10.311 1.00 35.12 H new ATOM 0 HB ILE A 27 3.945 2.554 -11.753 1.00 30.52 H new ATOM 0 HG12 ILE A 27 4.500 2.193 -8.784 1.00 20.21 H new ATOM 0 HG13 ILE A 27 4.635 3.705 -9.659 1.00 20.21 H new ATOM 0 HG21 ILE A 27 2.587 0.775 -10.714 1.00 73.42 H new ATOM 0 HG22 ILE A 27 3.815 0.107 -11.815 1.00 73.42 H new ATOM 0 HG23 ILE A 27 4.066 0.037 -10.055 1.00 73.42 H new ATOM 0 HD11 ILE A 27 2.530 3.595 -8.421 1.00 41.21 H new ATOM 0 HD12 ILE A 27 2.221 3.639 -10.173 1.00 41.21 H new ATOM 0 HD13 ILE A 27 2.084 2.103 -9.283 1.00 41.21 H new ATOM 413 N THR A 28 7.090 0.177 -12.430 1.00 43.11 N ATOM 414 CA THR A 28 7.404 -0.643 -13.589 1.00 22.11 C ATOM 415 C THR A 28 6.341 -1.732 -13.758 1.00 23.42 C ATOM 416 O THR A 28 5.538 -1.957 -12.851 1.00 72.12 O ATOM 417 CB THR A 28 8.810 -1.268 -13.429 1.00 20.32 C ATOM 418 OG1 THR A 28 9.754 -0.239 -13.131 1.00 3.55 O ATOM 419 CG2 THR A 28 9.261 -1.994 -14.687 1.00 13.12 C ATOM 0 H THR A 28 7.680 -0.002 -11.617 1.00 43.11 H new ATOM 0 HA THR A 28 7.405 -0.019 -14.483 1.00 22.11 H new ATOM 0 HB THR A 28 8.755 -1.995 -12.619 1.00 20.32 H new ATOM 0 HG1 THR A 28 10.645 -0.633 -13.027 1.00 3.55 H new ATOM 0 HG21 THR A 28 10.253 -2.416 -14.527 1.00 13.12 H new ATOM 0 HG22 THR A 28 8.558 -2.795 -14.917 1.00 13.12 H new ATOM 0 HG23 THR A 28 9.295 -1.292 -15.520 1.00 13.12 H new ATOM 427 N VAL A 29 6.331 -2.394 -14.917 1.00 14.42 N ATOM 428 CA VAL A 29 5.376 -3.465 -15.207 1.00 52.45 C ATOM 429 C VAL A 29 5.306 -4.483 -14.065 1.00 74.24 C ATOM 430 O VAL A 29 4.230 -4.970 -13.730 1.00 42.21 O ATOM 431 CB VAL A 29 5.731 -4.182 -16.533 1.00 63.40 C ATOM 432 CG1 VAL A 29 7.114 -4.817 -16.472 1.00 44.31 C ATOM 433 CG2 VAL A 29 4.677 -5.220 -16.889 1.00 5.32 C ATOM 0 H VAL A 29 6.982 -2.203 -15.678 1.00 14.42 H new ATOM 0 HA VAL A 29 4.395 -3.000 -15.310 1.00 52.45 H new ATOM 0 HB VAL A 29 5.747 -3.427 -17.319 1.00 63.40 H new ATOM 0 HG11 VAL A 29 7.330 -5.311 -17.419 1.00 44.31 H new ATOM 0 HG12 VAL A 29 7.861 -4.045 -16.287 1.00 44.31 H new ATOM 0 HG13 VAL A 29 7.143 -5.550 -15.666 1.00 44.31 H new ATOM 0 HG21 VAL A 29 4.949 -5.709 -17.824 1.00 5.32 H new ATOM 0 HG22 VAL A 29 4.616 -5.964 -16.095 1.00 5.32 H new ATOM 0 HG23 VAL A 29 3.709 -4.731 -17.004 1.00 5.32 H new ATOM 443 N GLU A 30 6.451 -4.779 -13.460 1.00 14.22 N ATOM 444 CA GLU A 30 6.513 -5.680 -12.316 1.00 70.34 C ATOM 445 C GLU A 30 5.661 -5.169 -11.163 1.00 22.44 C ATOM 446 O GLU A 30 4.775 -5.871 -10.686 1.00 23.24 O ATOM 447 CB GLU A 30 7.963 -5.849 -11.864 1.00 65.30 C ATOM 448 CG GLU A 30 8.631 -7.101 -12.405 1.00 53.41 C ATOM 449 CD GLU A 30 8.122 -8.358 -11.727 1.00 40.52 C ATOM 450 OE1 GLU A 30 6.964 -8.744 -11.969 1.00 53.21 O ATOM 451 OE2 GLU A 30 8.876 -8.960 -10.934 1.00 74.51 O ATOM 0 H GLU A 30 7.356 -4.404 -13.746 1.00 14.22 H new ATOM 0 HA GLU A 30 6.116 -6.647 -12.624 1.00 70.34 H new ATOM 0 HB2 GLU A 30 8.536 -4.977 -12.180 1.00 65.30 H new ATOM 0 HB3 GLU A 30 7.994 -5.874 -10.775 1.00 65.30 H new ATOM 0 HG2 GLU A 30 8.453 -7.171 -13.478 1.00 53.41 H new ATOM 0 HG3 GLU A 30 9.709 -7.025 -12.265 1.00 53.41 H new ATOM 458 N GLU A 31 5.919 -3.941 -10.734 1.00 63.31 N ATOM 459 CA GLU A 31 5.180 -3.344 -9.627 1.00 20.23 C ATOM 460 C GLU A 31 3.707 -3.208 -9.990 1.00 51.31 C ATOM 461 O GLU A 31 2.825 -3.352 -9.142 1.00 2.14 O ATOM 462 CB GLU A 31 5.767 -1.973 -9.272 1.00 73.33 C ATOM 463 CG GLU A 31 7.269 -1.994 -9.029 1.00 11.23 C ATOM 464 CD GLU A 31 7.670 -2.960 -7.933 1.00 32.30 C ATOM 465 OE1 GLU A 31 7.543 -2.601 -6.742 1.00 0.22 O ATOM 466 OE2 GLU A 31 8.125 -4.072 -8.255 1.00 1.32 O ATOM 0 H GLU A 31 6.636 -3.337 -11.136 1.00 63.31 H new ATOM 0 HA GLU A 31 5.268 -3.996 -8.758 1.00 20.23 H new ATOM 0 HB2 GLU A 31 5.548 -1.274 -10.079 1.00 73.33 H new ATOM 0 HB3 GLU A 31 5.269 -1.595 -8.379 1.00 73.33 H new ATOM 0 HG2 GLU A 31 7.779 -2.267 -9.953 1.00 11.23 H new ATOM 0 HG3 GLU A 31 7.604 -0.991 -8.764 1.00 11.23 H new ATOM 473 N ARG A 32 3.449 -2.947 -11.266 1.00 55.40 N ATOM 474 CA ARG A 32 2.090 -2.817 -11.764 1.00 64.00 C ATOM 475 C ARG A 32 1.366 -4.161 -11.685 1.00 74.25 C ATOM 476 O ARG A 32 0.195 -4.224 -11.320 1.00 42.24 O ATOM 477 CB ARG A 32 2.103 -2.301 -13.208 1.00 40.20 C ATOM 478 CG ARG A 32 0.791 -1.664 -13.643 1.00 31.15 C ATOM 479 CD ARG A 32 0.589 -0.312 -12.973 1.00 0.22 C ATOM 480 NE ARG A 32 -0.682 0.315 -13.338 1.00 45.43 N ATOM 481 CZ ARG A 32 -0.832 1.623 -13.572 1.00 3.52 C ATOM 482 NH1 ARG A 32 0.224 2.429 -13.580 1.00 43.42 N ATOM 483 NH2 ARG A 32 -2.037 2.117 -13.826 1.00 40.21 N ATOM 0 H ARG A 32 4.170 -2.821 -11.977 1.00 55.40 H new ATOM 0 HA ARG A 32 1.556 -2.099 -11.142 1.00 64.00 H new ATOM 0 HB2 ARG A 32 2.905 -1.570 -13.316 1.00 40.20 H new ATOM 0 HB3 ARG A 32 2.334 -3.129 -13.878 1.00 40.20 H new ATOM 0 HG2 ARG A 32 0.784 -1.541 -14.726 1.00 31.15 H new ATOM 0 HG3 ARG A 32 -0.039 -2.325 -13.392 1.00 31.15 H new ATOM 0 HD2 ARG A 32 0.630 -0.438 -11.891 1.00 0.22 H new ATOM 0 HD3 ARG A 32 1.409 0.351 -13.248 1.00 0.22 H new ATOM 0 HE ARG A 32 -1.504 -0.283 -13.419 1.00 45.43 H new ATOM 0 HH11 ARG A 32 1.155 2.051 -13.407 1.00 43.42 H new ATOM 0 HH12 ARG A 32 0.103 3.426 -13.759 1.00 43.42 H new ATOM 0 HH21 ARG A 32 -2.848 1.499 -13.843 1.00 40.21 H new ATOM 0 HH22 ARG A 32 -2.152 3.115 -14.005 1.00 40.21 H new ATOM 497 N ALA A 33 2.078 -5.232 -12.007 1.00 13.51 N ATOM 498 CA ALA A 33 1.510 -6.574 -11.984 1.00 13.25 C ATOM 499 C ALA A 33 1.434 -7.128 -10.563 1.00 5.43 C ATOM 500 O ALA A 33 0.508 -7.864 -10.222 1.00 61.13 O ATOM 501 CB ALA A 33 2.324 -7.504 -12.869 1.00 1.25 C ATOM 0 H ALA A 33 3.058 -5.197 -12.289 1.00 13.51 H new ATOM 0 HA ALA A 33 0.493 -6.511 -12.370 1.00 13.25 H new ATOM 0 HB1 ALA A 33 1.890 -8.503 -12.843 1.00 1.25 H new ATOM 0 HB2 ALA A 33 2.316 -7.131 -13.893 1.00 1.25 H new ATOM 0 HB3 ALA A 33 3.351 -7.545 -12.506 1.00 1.25 H new ATOM 507 N LYS A 34 2.403 -6.753 -9.734 1.00 0.14 N ATOM 508 CA LYS A 34 2.489 -7.246 -8.363 1.00 11.44 C ATOM 509 C LYS A 34 1.233 -6.938 -7.557 1.00 54.04 C ATOM 510 O LYS A 34 0.898 -7.680 -6.635 1.00 14.34 O ATOM 511 CB LYS A 34 3.712 -6.662 -7.651 1.00 23.11 C ATOM 512 CG LYS A 34 5.011 -7.386 -7.967 1.00 11.43 C ATOM 513 CD LYS A 34 4.918 -8.856 -7.596 1.00 35.33 C ATOM 514 CE LYS A 34 6.274 -9.544 -7.665 1.00 1.40 C ATOM 515 NZ LYS A 34 6.863 -9.493 -9.028 1.00 42.33 N ATOM 0 H LYS A 34 3.146 -6.103 -9.991 1.00 0.14 H new ATOM 0 HA LYS A 34 2.588 -8.330 -8.427 1.00 11.44 H new ATOM 0 HB2 LYS A 34 3.815 -5.613 -7.928 1.00 23.11 H new ATOM 0 HB3 LYS A 34 3.543 -6.692 -6.575 1.00 23.11 H new ATOM 0 HG2 LYS A 34 5.237 -7.289 -9.029 1.00 11.43 H new ATOM 0 HG3 LYS A 34 5.833 -6.921 -7.422 1.00 11.43 H new ATOM 0 HD2 LYS A 34 4.513 -8.952 -6.589 1.00 35.33 H new ATOM 0 HD3 LYS A 34 4.222 -9.357 -8.268 1.00 35.33 H new ATOM 0 HE2 LYS A 34 6.956 -9.070 -6.959 1.00 1.40 H new ATOM 0 HE3 LYS A 34 6.168 -10.584 -7.356 1.00 1.40 H new ATOM 0 HZ1 LYS A 34 7.136 -10.452 -9.324 1.00 42.33 H new ATOM 0 HZ2 LYS A 34 6.162 -9.111 -9.695 1.00 42.33 H new ATOM 0 HZ3 LYS A 34 7.703 -8.881 -9.020 1.00 42.33 H new ATOM 529 N HIS A 35 0.531 -5.863 -7.905 1.00 34.33 N ATOM 530 CA HIS A 35 -0.644 -5.463 -7.134 1.00 44.12 C ATOM 531 C HIS A 35 -1.738 -6.523 -7.181 1.00 35.15 C ATOM 532 O HIS A 35 -2.544 -6.623 -6.267 1.00 13.41 O ATOM 533 CB HIS A 35 -1.182 -4.081 -7.551 1.00 43.11 C ATOM 534 CG HIS A 35 -1.838 -3.948 -8.907 1.00 2.13 C ATOM 535 ND1 HIS A 35 -2.073 -2.717 -9.485 1.00 34.12 N ATOM 536 CD2 HIS A 35 -2.339 -4.860 -9.781 1.00 1.34 C ATOM 537 CE1 HIS A 35 -2.688 -2.879 -10.640 1.00 31.14 C ATOM 538 NE2 HIS A 35 -2.860 -4.168 -10.845 1.00 52.42 N ATOM 0 H HIS A 35 0.749 -5.263 -8.700 1.00 34.33 H new ATOM 0 HA HIS A 35 -0.316 -5.373 -6.099 1.00 44.12 H new ATOM 0 HB2 HIS A 35 -1.905 -3.765 -6.799 1.00 43.11 H new ATOM 0 HB3 HIS A 35 -0.352 -3.375 -7.512 1.00 43.11 H new ATOM 0 HD2 HIS A 35 -2.329 -5.933 -9.660 1.00 1.34 H new ATOM 0 HE1 HIS A 35 -2.998 -2.087 -11.306 1.00 31.14 H new ATOM 0 HE2 HIS A 35 -3.308 -4.584 -11.662 1.00 52.42 H new ATOM 547 N ASP A 36 -1.746 -7.312 -8.242 1.00 53.32 N ATOM 548 CA ASP A 36 -2.707 -8.410 -8.380 1.00 70.25 C ATOM 549 C ASP A 36 -2.356 -9.549 -7.431 1.00 24.25 C ATOM 550 O ASP A 36 -3.203 -10.041 -6.682 1.00 35.13 O ATOM 551 CB ASP A 36 -2.727 -8.935 -9.817 1.00 65.23 C ATOM 552 CG ASP A 36 -3.670 -10.113 -9.991 1.00 40.15 C ATOM 553 OD1 ASP A 36 -4.882 -9.887 -10.189 1.00 72.31 O ATOM 554 OD2 ASP A 36 -3.203 -11.276 -9.939 1.00 22.13 O ATOM 0 H ASP A 36 -1.100 -7.218 -9.025 1.00 53.32 H new ATOM 0 HA ASP A 36 -3.695 -8.024 -8.129 1.00 70.25 H new ATOM 0 HB2 ASP A 36 -3.026 -8.132 -10.490 1.00 65.23 H new ATOM 0 HB3 ASP A 36 -1.719 -9.234 -10.105 1.00 65.23 H new ATOM 559 N GLN A 37 -1.090 -9.943 -7.461 1.00 12.14 N ATOM 560 CA GLN A 37 -0.592 -11.025 -6.626 1.00 1.13 C ATOM 561 C GLN A 37 -0.731 -10.683 -5.146 1.00 62.13 C ATOM 562 O GLN A 37 -1.016 -11.553 -4.323 1.00 31.14 O ATOM 563 CB GLN A 37 0.868 -11.308 -6.975 1.00 44.30 C ATOM 564 CG GLN A 37 1.052 -11.896 -8.366 1.00 62.31 C ATOM 565 CD GLN A 37 2.469 -11.748 -8.882 1.00 14.01 C ATOM 566 OE1 GLN A 37 2.714 -10.681 -9.627 1.00 55.35 O flip ATOM 567 NE2 GLN A 37 3.329 -12.594 -8.640 1.00 31.11 N flip ATOM 0 H GLN A 37 -0.382 -9.522 -8.063 1.00 12.14 H new ATOM 0 HA GLN A 37 -1.188 -11.918 -6.817 1.00 1.13 H new ATOM 0 HB2 GLN A 37 1.438 -10.382 -6.902 1.00 44.30 H new ATOM 0 HB3 GLN A 37 1.283 -11.997 -6.239 1.00 44.30 H new ATOM 0 HG2 GLN A 37 0.785 -12.953 -8.347 1.00 62.31 H new ATOM 0 HG3 GLN A 37 0.365 -11.406 -9.057 1.00 62.31 H new ATOM 0 HE21 GLN A 37 3.101 -13.402 -8.061 1.00 31.11 H new ATOM 0 HE22 GLN A 37 4.270 -12.487 -9.018 1.00 31.11 H new ATOM 576 N GLN A 38 -0.545 -9.409 -4.815 1.00 52.13 N ATOM 577 CA GLN A 38 -0.695 -8.954 -3.440 1.00 43.40 C ATOM 578 C GLN A 38 -2.172 -8.837 -3.072 1.00 1.41 C ATOM 579 O GLN A 38 -2.572 -9.195 -1.967 1.00 20.42 O ATOM 580 CB GLN A 38 0.012 -7.610 -3.235 1.00 25.21 C ATOM 581 CG GLN A 38 1.505 -7.659 -3.524 1.00 14.44 C ATOM 582 CD GLN A 38 2.243 -8.668 -2.666 1.00 43.44 C ATOM 583 OE1 GLN A 38 1.860 -8.940 -1.529 1.00 34.54 O ATOM 584 NE2 GLN A 38 3.309 -9.232 -3.210 1.00 44.42 N ATOM 0 H GLN A 38 -0.291 -8.677 -5.478 1.00 52.13 H new ATOM 0 HA GLN A 38 -0.231 -9.692 -2.785 1.00 43.40 H new ATOM 0 HB2 GLN A 38 -0.451 -6.863 -3.880 1.00 25.21 H new ATOM 0 HB3 GLN A 38 -0.140 -7.281 -2.207 1.00 25.21 H new ATOM 0 HG2 GLN A 38 1.658 -7.904 -4.575 1.00 14.44 H new ATOM 0 HG3 GLN A 38 1.933 -6.670 -3.361 1.00 14.44 H new ATOM 0 HE21 GLN A 38 3.593 -8.978 -4.156 1.00 44.42 H new ATOM 0 HE22 GLN A 38 3.847 -9.920 -2.683 1.00 44.42 H new ATOM 593 N PHE A 39 -2.976 -8.352 -4.018 1.00 0.14 N ATOM 594 CA PHE A 39 -4.417 -8.193 -3.812 1.00 13.44 C ATOM 595 C PHE A 39 -5.048 -9.535 -3.462 1.00 63.23 C ATOM 596 O PHE A 39 -5.968 -9.619 -2.649 1.00 4.14 O ATOM 597 CB PHE A 39 -5.073 -7.643 -5.082 1.00 11.22 C ATOM 598 CG PHE A 39 -6.277 -6.777 -4.838 1.00 64.41 C ATOM 599 CD1 PHE A 39 -7.383 -7.259 -4.157 1.00 35.44 C ATOM 600 CD2 PHE A 39 -6.296 -5.473 -5.299 1.00 52.42 C ATOM 601 CE1 PHE A 39 -8.484 -6.453 -3.944 1.00 62.24 C ATOM 602 CE2 PHE A 39 -7.392 -4.665 -5.089 1.00 4.54 C ATOM 603 CZ PHE A 39 -8.486 -5.156 -4.408 1.00 54.45 C ATOM 0 H PHE A 39 -2.652 -8.061 -4.940 1.00 0.14 H new ATOM 0 HA PHE A 39 -4.574 -7.494 -2.991 1.00 13.44 H new ATOM 0 HB2 PHE A 39 -4.333 -7.066 -5.637 1.00 11.22 H new ATOM 0 HB3 PHE A 39 -5.366 -8.480 -5.716 1.00 11.22 H new ATOM 0 HD1 PHE A 39 -7.384 -8.274 -3.789 1.00 35.44 H new ATOM 0 HD2 PHE A 39 -5.440 -5.083 -5.831 1.00 52.42 H new ATOM 0 HE1 PHE A 39 -9.342 -6.839 -3.414 1.00 62.24 H new ATOM 0 HE2 PHE A 39 -7.394 -3.650 -5.457 1.00 4.54 H new ATOM 0 HZ PHE A 39 -9.345 -4.523 -4.238 1.00 54.45 H new ATOM 613 N HIS A 40 -4.523 -10.582 -4.081 1.00 62.44 N ATOM 614 CA HIS A 40 -5.011 -11.939 -3.883 1.00 25.23 C ATOM 615 C HIS A 40 -4.983 -12.324 -2.403 1.00 61.23 C ATOM 616 O HIS A 40 -5.882 -13.005 -1.913 1.00 24.43 O ATOM 617 CB HIS A 40 -4.149 -12.910 -4.693 1.00 52.44 C ATOM 618 CG HIS A 40 -4.828 -14.198 -5.041 1.00 34.11 C ATOM 619 ND1 HIS A 40 -5.193 -14.518 -6.329 1.00 12.24 N ATOM 620 CD2 HIS A 40 -5.194 -15.252 -4.276 1.00 60.24 C ATOM 621 CE1 HIS A 40 -5.749 -15.713 -6.342 1.00 33.14 C ATOM 622 NE2 HIS A 40 -5.763 -16.182 -5.108 1.00 71.12 N ATOM 0 H HIS A 40 -3.744 -10.514 -4.737 1.00 62.44 H new ATOM 0 HA HIS A 40 -6.045 -11.991 -4.224 1.00 25.23 H new ATOM 0 HB2 HIS A 40 -3.837 -12.418 -5.614 1.00 52.44 H new ATOM 0 HB3 HIS A 40 -3.244 -13.132 -4.127 1.00 52.44 H new ATOM 0 HD2 HIS A 40 -5.062 -15.344 -3.208 1.00 60.24 H new ATOM 0 HE1 HIS A 40 -6.129 -16.223 -7.215 1.00 33.14 H new ATOM 0 HE2 HIS A 40 -6.136 -17.087 -4.821 1.00 71.12 H new ATOM 631 N SER A 41 -3.952 -11.869 -1.698 1.00 73.30 N ATOM 632 CA SER A 41 -3.760 -12.210 -0.298 1.00 21.44 C ATOM 633 C SER A 41 -4.706 -11.428 0.617 1.00 43.43 C ATOM 634 O SER A 41 -4.932 -11.814 1.764 1.00 63.25 O ATOM 635 CB SER A 41 -2.307 -11.945 0.089 1.00 34.32 C ATOM 636 OG SER A 41 -1.420 -12.608 -0.802 1.00 25.52 O ATOM 0 H SER A 41 -3.231 -11.257 -2.081 1.00 73.30 H new ATOM 0 HA SER A 41 -3.992 -13.267 -0.169 1.00 21.44 H new ATOM 0 HB2 SER A 41 -2.111 -10.873 0.074 1.00 34.32 H new ATOM 0 HB3 SER A 41 -2.129 -12.287 1.109 1.00 34.32 H new ATOM 0 HG SER A 41 -0.494 -12.425 -0.539 1.00 25.52 H new ATOM 642 N LEU A 42 -5.260 -10.338 0.100 1.00 44.40 N ATOM 643 CA LEU A 42 -6.159 -9.480 0.875 1.00 13.21 C ATOM 644 C LEU A 42 -7.525 -10.122 1.055 1.00 71.14 C ATOM 645 O LEU A 42 -8.342 -9.646 1.844 1.00 3.15 O ATOM 646 CB LEU A 42 -6.334 -8.129 0.179 1.00 75.21 C ATOM 647 CG LEU A 42 -5.344 -7.039 0.584 1.00 41.32 C ATOM 648 CD1 LEU A 42 -5.550 -6.649 2.036 1.00 71.32 C ATOM 649 CD2 LEU A 42 -3.911 -7.487 0.353 1.00 64.53 C ATOM 0 H LEU A 42 -5.104 -10.023 -0.857 1.00 44.40 H new ATOM 0 HA LEU A 42 -5.706 -9.338 1.856 1.00 13.21 H new ATOM 0 HB2 LEU A 42 -6.255 -8.283 -0.897 1.00 75.21 H new ATOM 0 HB3 LEU A 42 -7.343 -7.768 0.376 1.00 75.21 H new ATOM 0 HG LEU A 42 -5.529 -6.166 -0.042 1.00 41.32 H new ATOM 0 HD11 LEU A 42 -4.837 -5.871 2.309 1.00 71.32 H new ATOM 0 HD12 LEU A 42 -6.565 -6.274 2.172 1.00 71.32 H new ATOM 0 HD13 LEU A 42 -5.397 -7.521 2.672 1.00 71.32 H new ATOM 0 HD21 LEU A 42 -3.228 -6.691 0.650 1.00 64.53 H new ATOM 0 HD22 LEU A 42 -3.708 -8.379 0.946 1.00 64.53 H new ATOM 0 HD23 LEU A 42 -3.766 -7.713 -0.703 1.00 64.53 H new ATOM 661 N LYS A 43 -7.755 -11.199 0.314 1.00 62.21 N ATOM 662 CA LYS A 43 -9.048 -11.880 0.294 1.00 21.24 C ATOM 663 C LYS A 43 -10.140 -10.926 -0.182 1.00 12.02 C ATOM 664 O LYS A 43 -11.029 -10.552 0.586 1.00 40.34 O ATOM 665 CB LYS A 43 -9.405 -12.438 1.677 1.00 70.21 C ATOM 666 CG LYS A 43 -9.578 -13.948 1.705 1.00 13.13 C ATOM 667 CD LYS A 43 -8.264 -14.664 1.456 1.00 1.43 C ATOM 668 CE LYS A 43 -8.454 -16.168 1.405 1.00 53.33 C ATOM 669 NZ LYS A 43 -7.161 -16.881 1.276 1.00 53.44 N ATOM 0 H LYS A 43 -7.053 -11.626 -0.290 1.00 62.21 H new ATOM 0 HA LYS A 43 -8.975 -12.717 -0.401 1.00 21.24 H new ATOM 0 HB2 LYS A 43 -8.624 -12.158 2.384 1.00 70.21 H new ATOM 0 HB3 LYS A 43 -10.328 -11.970 2.020 1.00 70.21 H new ATOM 0 HG2 LYS A 43 -9.981 -14.251 2.671 1.00 13.13 H new ATOM 0 HG3 LYS A 43 -10.305 -14.246 0.949 1.00 13.13 H new ATOM 0 HD2 LYS A 43 -7.832 -14.318 0.517 1.00 1.43 H new ATOM 0 HD3 LYS A 43 -7.555 -14.412 2.245 1.00 1.43 H new ATOM 0 HE2 LYS A 43 -8.964 -16.501 2.309 1.00 53.33 H new ATOM 0 HE3 LYS A 43 -9.097 -16.425 0.563 1.00 53.33 H new ATOM 0 HZ1 LYS A 43 -7.332 -17.906 1.244 1.00 53.44 H new ATOM 0 HZ2 LYS A 43 -6.685 -16.582 0.401 1.00 53.44 H new ATOM 0 HZ3 LYS A 43 -6.557 -16.656 2.092 1.00 53.44 H new ATOM 683 N PRO A 44 -10.072 -10.504 -1.456 1.00 21.12 N ATOM 684 CA PRO A 44 -11.013 -9.539 -2.021 1.00 61.13 C ATOM 685 C PRO A 44 -12.457 -10.015 -1.957 1.00 5.45 C ATOM 686 O PRO A 44 -12.787 -11.129 -2.375 1.00 3.43 O ATOM 687 CB PRO A 44 -10.570 -9.388 -3.480 1.00 32.22 C ATOM 688 CG PRO A 44 -9.713 -10.572 -3.755 1.00 23.05 C ATOM 689 CD PRO A 44 -9.072 -10.934 -2.448 1.00 40.23 C ATOM 0 HA PRO A 44 -10.996 -8.604 -1.461 1.00 61.13 H new ATOM 0 HB2 PRO A 44 -11.429 -9.360 -4.151 1.00 32.22 H new ATOM 0 HB3 PRO A 44 -10.018 -8.460 -3.629 1.00 32.22 H new ATOM 0 HG2 PRO A 44 -10.306 -11.401 -4.141 1.00 23.05 H new ATOM 0 HG3 PRO A 44 -8.959 -10.341 -4.508 1.00 23.05 H new ATOM 0 HD2 PRO A 44 -8.871 -12.003 -2.380 1.00 40.23 H new ATOM 0 HD3 PRO A 44 -8.120 -10.421 -2.310 1.00 40.23 H new ATOM 697 N ILE A 45 -13.305 -9.153 -1.432 1.00 75.55 N ATOM 698 CA ILE A 45 -14.726 -9.418 -1.347 1.00 3.21 C ATOM 699 C ILE A 45 -15.423 -8.835 -2.570 1.00 74.14 C ATOM 700 O ILE A 45 -15.344 -7.630 -2.823 1.00 40.33 O ATOM 701 CB ILE A 45 -15.340 -8.844 -0.043 1.00 12.22 C ATOM 702 CG1 ILE A 45 -16.869 -8.982 -0.057 1.00 24.51 C ATOM 703 CG2 ILE A 45 -14.927 -7.392 0.168 1.00 1.51 C ATOM 704 CD1 ILE A 45 -17.535 -8.506 1.217 1.00 4.21 C ATOM 0 H ILE A 45 -13.027 -8.248 -1.052 1.00 75.55 H new ATOM 0 HA ILE A 45 -14.874 -10.498 -1.323 1.00 3.21 H new ATOM 0 HB ILE A 45 -14.952 -9.424 0.794 1.00 12.22 H new ATOM 0 HG12 ILE A 45 -17.268 -8.416 -0.899 1.00 24.51 H new ATOM 0 HG13 ILE A 45 -17.129 -10.027 -0.224 1.00 24.51 H new ATOM 0 HG21 ILE A 45 -15.373 -7.017 1.089 1.00 1.51 H new ATOM 0 HG22 ILE A 45 -13.841 -7.329 0.238 1.00 1.51 H new ATOM 0 HG23 ILE A 45 -15.272 -6.790 -0.673 1.00 1.51 H new ATOM 0 HD11 ILE A 45 -18.614 -8.634 1.133 1.00 4.21 H new ATOM 0 HD12 ILE A 45 -17.165 -9.088 2.061 1.00 4.21 H new ATOM 0 HD13 ILE A 45 -17.306 -7.452 1.375 1.00 4.21 H new ATOM 716 N SER A 46 -16.077 -9.707 -3.333 1.00 72.13 N ATOM 717 CA SER A 46 -16.681 -9.342 -4.612 1.00 33.54 C ATOM 718 C SER A 46 -15.593 -8.909 -5.602 1.00 65.14 C ATOM 719 O SER A 46 -15.131 -9.710 -6.417 1.00 4.04 O ATOM 720 CB SER A 46 -17.732 -8.236 -4.428 1.00 11.43 C ATOM 721 OG SER A 46 -18.665 -8.579 -3.411 1.00 52.24 O ATOM 0 H SER A 46 -16.203 -10.688 -3.082 1.00 72.13 H new ATOM 0 HA SER A 46 -17.191 -10.216 -5.018 1.00 33.54 H new ATOM 0 HB2 SER A 46 -17.237 -7.299 -4.171 1.00 11.43 H new ATOM 0 HB3 SER A 46 -18.259 -8.071 -5.368 1.00 11.43 H new ATOM 0 HG SER A 46 -19.322 -7.858 -3.313 1.00 52.24 H new ATOM 727 N GLY A 47 -15.156 -7.658 -5.495 1.00 11.55 N ATOM 728 CA GLY A 47 -14.099 -7.154 -6.350 1.00 24.12 C ATOM 729 C GLY A 47 -13.329 -6.023 -5.695 1.00 21.32 C ATOM 730 O GLY A 47 -12.678 -5.231 -6.374 1.00 14.41 O ATOM 0 H GLY A 47 -15.519 -6.980 -4.825 1.00 11.55 H new ATOM 0 HA2 GLY A 47 -13.413 -7.965 -6.595 1.00 24.12 H new ATOM 0 HA3 GLY A 47 -14.528 -6.804 -7.289 1.00 24.12 H new ATOM 734 N PHE A 48 -13.396 -5.952 -4.373 1.00 20.43 N ATOM 735 CA PHE A 48 -12.738 -4.889 -3.626 1.00 5.30 C ATOM 736 C PHE A 48 -12.318 -5.388 -2.250 1.00 0.34 C ATOM 737 O PHE A 48 -12.521 -6.552 -1.915 1.00 24.01 O ATOM 738 CB PHE A 48 -13.671 -3.678 -3.493 1.00 15.15 C ATOM 739 CG PHE A 48 -15.045 -4.007 -2.968 1.00 72.22 C ATOM 740 CD1 PHE A 48 -15.299 -4.023 -1.606 1.00 44.11 C ATOM 741 CD2 PHE A 48 -16.081 -4.292 -3.842 1.00 34.11 C ATOM 742 CE1 PHE A 48 -16.560 -4.317 -1.127 1.00 60.02 C ATOM 743 CE2 PHE A 48 -17.344 -4.589 -3.368 1.00 32.45 C ATOM 744 CZ PHE A 48 -17.584 -4.601 -2.009 1.00 64.51 C ATOM 0 H PHE A 48 -13.902 -6.621 -3.793 1.00 20.43 H new ATOM 0 HA PHE A 48 -11.844 -4.583 -4.170 1.00 5.30 H new ATOM 0 HB2 PHE A 48 -13.207 -2.948 -2.830 1.00 15.15 H new ATOM 0 HB3 PHE A 48 -13.772 -3.203 -4.469 1.00 15.15 H new ATOM 0 HD1 PHE A 48 -14.502 -3.803 -0.911 1.00 44.11 H new ATOM 0 HD2 PHE A 48 -15.899 -4.282 -4.907 1.00 34.11 H new ATOM 0 HE1 PHE A 48 -16.746 -4.325 -0.063 1.00 60.02 H new ATOM 0 HE2 PHE A 48 -18.143 -4.812 -4.060 1.00 32.45 H new ATOM 0 HZ PHE A 48 -18.571 -4.832 -1.636 1.00 64.51 H new ATOM 754 N ILE A 49 -11.722 -4.509 -1.465 1.00 2.22 N ATOM 755 CA ILE A 49 -11.344 -4.834 -0.097 1.00 71.41 C ATOM 756 C ILE A 49 -11.911 -3.795 0.855 1.00 55.03 C ATOM 757 O ILE A 49 -12.559 -2.839 0.426 1.00 31.13 O ATOM 758 CB ILE A 49 -9.807 -4.931 0.122 1.00 12.03 C ATOM 759 CG1 ILE A 49 -9.088 -3.592 -0.150 1.00 52.12 C ATOM 760 CG2 ILE A 49 -9.212 -6.042 -0.724 1.00 3.24 C ATOM 761 CD1 ILE A 49 -9.116 -3.123 -1.593 1.00 31.34 C ATOM 0 H ILE A 49 -11.487 -3.559 -1.751 1.00 2.22 H new ATOM 0 HA ILE A 49 -11.759 -5.822 0.104 1.00 71.41 H new ATOM 0 HB ILE A 49 -9.650 -5.169 1.174 1.00 12.03 H new ATOM 0 HG12 ILE A 49 -9.541 -2.822 0.474 1.00 52.12 H new ATOM 0 HG13 ILE A 49 -8.049 -3.686 0.164 1.00 52.12 H new ATOM 0 HG21 ILE A 49 -8.136 -6.092 -0.555 1.00 3.24 H new ATOM 0 HG22 ILE A 49 -9.667 -6.993 -0.448 1.00 3.24 H new ATOM 0 HG23 ILE A 49 -9.405 -5.840 -1.778 1.00 3.24 H new ATOM 0 HD11 ILE A 49 -8.585 -2.175 -1.678 1.00 31.34 H new ATOM 0 HD12 ILE A 49 -8.634 -3.867 -2.227 1.00 31.34 H new ATOM 0 HD13 ILE A 49 -10.150 -2.989 -1.912 1.00 31.34 H new ATOM 773 N THR A 50 -11.673 -3.982 2.141 1.00 72.54 N ATOM 774 CA THR A 50 -12.151 -3.045 3.134 1.00 20.52 C ATOM 775 C THR A 50 -11.007 -2.573 4.028 1.00 64.14 C ATOM 776 O THR A 50 -9.859 -2.989 3.848 1.00 74.51 O ATOM 777 CB THR A 50 -13.264 -3.669 4.001 1.00 44.13 C ATOM 778 OG1 THR A 50 -12.844 -4.956 4.479 1.00 12.31 O ATOM 779 CG2 THR A 50 -14.561 -3.805 3.215 1.00 72.23 C ATOM 0 H THR A 50 -11.152 -4.774 2.519 1.00 72.54 H new ATOM 0 HA THR A 50 -12.564 -2.188 2.602 1.00 20.52 H new ATOM 0 HB THR A 50 -13.448 -3.008 4.848 1.00 44.13 H new ATOM 0 HG1 THR A 50 -13.553 -5.348 5.030 1.00 12.31 H new ATOM 0 HG21 THR A 50 -15.327 -4.248 3.851 1.00 72.23 H new ATOM 0 HG22 THR A 50 -14.890 -2.820 2.882 1.00 72.23 H new ATOM 0 HG23 THR A 50 -14.396 -4.444 2.348 1.00 72.23 H new ATOM 787 N GLY A 51 -11.326 -1.727 5.001 1.00 63.50 N ATOM 788 CA GLY A 51 -10.307 -1.160 5.863 1.00 12.23 C ATOM 789 C GLY A 51 -9.688 -2.189 6.785 1.00 22.31 C ATOM 790 O GLY A 51 -8.471 -2.197 6.984 1.00 54.45 O ATOM 0 H GLY A 51 -12.277 -1.423 5.208 1.00 63.50 H new ATOM 0 HA2 GLY A 51 -9.526 -0.710 5.250 1.00 12.23 H new ATOM 0 HA3 GLY A 51 -10.745 -0.359 6.459 1.00 12.23 H new ATOM 794 N ASP A 52 -10.523 -3.062 7.336 1.00 44.40 N ATOM 795 CA ASP A 52 -10.052 -4.110 8.236 1.00 12.42 C ATOM 796 C ASP A 52 -9.085 -5.037 7.513 1.00 22.43 C ATOM 797 O ASP A 52 -8.053 -5.416 8.061 1.00 41.25 O ATOM 798 CB ASP A 52 -11.226 -4.909 8.802 1.00 54.04 C ATOM 799 CG ASP A 52 -10.779 -6.022 9.731 1.00 53.34 C ATOM 800 OD1 ASP A 52 -10.406 -5.730 10.888 1.00 23.33 O ATOM 801 OD2 ASP A 52 -10.819 -7.199 9.318 1.00 45.01 O ATOM 0 H ASP A 52 -11.530 -3.066 7.176 1.00 44.40 H new ATOM 0 HA ASP A 52 -9.528 -3.635 9.065 1.00 12.42 H new ATOM 0 HB2 ASP A 52 -11.893 -4.236 9.341 1.00 54.04 H new ATOM 0 HB3 ASP A 52 -11.801 -5.336 7.980 1.00 54.04 H new ATOM 806 N GLN A 53 -9.417 -5.381 6.271 1.00 14.34 N ATOM 807 CA GLN A 53 -8.548 -6.221 5.454 1.00 14.04 C ATOM 808 C GLN A 53 -7.208 -5.536 5.223 1.00 31.22 C ATOM 809 O GLN A 53 -6.150 -6.150 5.367 1.00 34.11 O ATOM 810 CB GLN A 53 -9.200 -6.539 4.103 1.00 54.30 C ATOM 811 CG GLN A 53 -10.446 -7.402 4.199 1.00 3.51 C ATOM 812 CD GLN A 53 -10.203 -8.704 4.935 1.00 23.11 C ATOM 813 OE1 GLN A 53 -10.405 -8.793 6.148 1.00 31.24 O ATOM 814 NE2 GLN A 53 -9.753 -9.718 4.218 1.00 1.50 N ATOM 0 H GLN A 53 -10.280 -5.091 5.810 1.00 14.34 H new ATOM 0 HA GLN A 53 -8.387 -7.155 5.993 1.00 14.04 H new ATOM 0 HB2 GLN A 53 -9.458 -5.603 3.608 1.00 54.30 H new ATOM 0 HB3 GLN A 53 -8.470 -7.044 3.470 1.00 54.30 H new ATOM 0 HG2 GLN A 53 -11.231 -6.843 4.708 1.00 3.51 H new ATOM 0 HG3 GLN A 53 -10.810 -7.620 3.195 1.00 3.51 H new ATOM 0 HE21 GLN A 53 -9.598 -9.605 3.216 1.00 1.50 H new ATOM 0 HE22 GLN A 53 -9.560 -10.614 4.666 1.00 1.50 H new ATOM 823 N ALA A 54 -7.265 -4.254 4.880 1.00 13.21 N ATOM 824 CA ALA A 54 -6.068 -3.472 4.609 1.00 40.43 C ATOM 825 C ALA A 54 -5.157 -3.422 5.828 1.00 42.42 C ATOM 826 O ALA A 54 -3.986 -3.797 5.759 1.00 51.15 O ATOM 827 CB ALA A 54 -6.449 -2.064 4.182 1.00 34.32 C ATOM 0 H ALA A 54 -8.136 -3.732 4.783 1.00 13.21 H new ATOM 0 HA ALA A 54 -5.523 -3.956 3.799 1.00 40.43 H new ATOM 0 HB1 ALA A 54 -5.546 -1.488 3.982 1.00 34.32 H new ATOM 0 HB2 ALA A 54 -7.058 -2.110 3.279 1.00 34.32 H new ATOM 0 HB3 ALA A 54 -7.017 -1.583 4.979 1.00 34.32 H new ATOM 833 N ARG A 55 -5.711 -2.977 6.950 1.00 22.11 N ATOM 834 CA ARG A 55 -4.956 -2.797 8.167 1.00 32.33 C ATOM 835 C ARG A 55 -4.415 -4.138 8.668 1.00 62.21 C ATOM 836 O ARG A 55 -3.308 -4.210 9.207 1.00 31.11 O ATOM 837 CB ARG A 55 -5.857 -2.122 9.208 1.00 60.14 C ATOM 838 CG ARG A 55 -5.101 -1.389 10.297 1.00 74.32 C ATOM 839 CD ARG A 55 -4.575 -2.338 11.352 1.00 42.40 C ATOM 840 NE ARG A 55 -5.610 -2.731 12.304 1.00 50.24 N ATOM 841 CZ ARG A 55 -5.462 -3.685 13.219 1.00 53.41 C ATOM 842 NH1 ARG A 55 -4.322 -4.363 13.297 1.00 50.50 N ATOM 843 NH2 ARG A 55 -6.459 -3.950 14.053 1.00 52.24 N ATOM 0 H ARG A 55 -6.698 -2.733 7.033 1.00 22.11 H new ATOM 0 HA ARG A 55 -4.093 -2.158 7.981 1.00 32.33 H new ATOM 0 HB2 ARG A 55 -6.516 -1.417 8.700 1.00 60.14 H new ATOM 0 HB3 ARG A 55 -6.493 -2.879 9.668 1.00 60.14 H new ATOM 0 HG2 ARG A 55 -4.270 -0.839 9.856 1.00 74.32 H new ATOM 0 HG3 ARG A 55 -5.757 -0.654 10.764 1.00 74.32 H new ATOM 0 HD2 ARG A 55 -4.171 -3.228 10.869 1.00 42.40 H new ATOM 0 HD3 ARG A 55 -3.752 -1.864 11.887 1.00 42.40 H new ATOM 0 HE ARG A 55 -6.504 -2.242 12.265 1.00 50.24 H new ATOM 0 HH11 ARG A 55 -3.558 -4.152 12.655 1.00 50.50 H new ATOM 0 HH12 ARG A 55 -4.211 -5.094 13.999 1.00 50.50 H new ATOM 0 HH21 ARG A 55 -7.331 -3.424 13.990 1.00 52.24 H new ATOM 0 HH22 ARG A 55 -6.354 -4.680 14.758 1.00 52.24 H new ATOM 857 N ASN A 56 -5.188 -5.199 8.469 1.00 44.53 N ATOM 858 CA ASN A 56 -4.757 -6.541 8.851 1.00 71.33 C ATOM 859 C ASN A 56 -3.544 -6.973 8.033 1.00 4.22 C ATOM 860 O ASN A 56 -2.555 -7.449 8.585 1.00 64.02 O ATOM 861 CB ASN A 56 -5.894 -7.552 8.661 1.00 54.51 C ATOM 862 CG ASN A 56 -5.502 -8.956 9.090 1.00 54.13 C ATOM 863 OD1 ASN A 56 -5.668 -9.330 10.249 1.00 71.04 O ATOM 864 ND2 ASN A 56 -4.992 -9.746 8.157 1.00 40.23 N ATOM 0 H ASN A 56 -6.115 -5.158 8.046 1.00 44.53 H new ATOM 0 HA ASN A 56 -4.481 -6.514 9.905 1.00 71.33 H new ATOM 0 HB2 ASN A 56 -6.762 -7.229 9.235 1.00 54.51 H new ATOM 0 HB3 ASN A 56 -6.192 -7.566 7.613 1.00 54.51 H new ATOM 0 HD21 ASN A 56 -4.722 -10.702 8.390 1.00 40.23 H new ATOM 0 HD22 ASN A 56 -4.870 -9.399 7.206 1.00 40.23 H new ATOM 871 N PHE A 57 -3.625 -6.790 6.715 1.00 30.33 N ATOM 872 CA PHE A 57 -2.548 -7.193 5.813 1.00 12.32 C ATOM 873 C PHE A 57 -1.251 -6.461 6.137 1.00 42.04 C ATOM 874 O PHE A 57 -0.181 -7.069 6.178 1.00 65.24 O ATOM 875 CB PHE A 57 -2.940 -6.945 4.358 1.00 65.55 C ATOM 876 CG PHE A 57 -1.876 -7.368 3.393 1.00 72.04 C ATOM 877 CD1 PHE A 57 -1.823 -8.670 2.920 1.00 34.03 C ATOM 878 CD2 PHE A 57 -0.919 -6.467 2.976 1.00 73.41 C ATOM 879 CE1 PHE A 57 -0.828 -9.059 2.042 1.00 11.45 C ATOM 880 CE2 PHE A 57 0.074 -6.847 2.108 1.00 32.52 C ATOM 881 CZ PHE A 57 0.123 -8.145 1.636 1.00 10.54 C ATOM 0 H PHE A 57 -4.426 -6.365 6.249 1.00 30.33 H new ATOM 0 HA PHE A 57 -2.382 -8.261 5.956 1.00 12.32 H new ATOM 0 HB2 PHE A 57 -3.861 -7.485 4.137 1.00 65.55 H new ATOM 0 HB3 PHE A 57 -3.151 -5.885 4.218 1.00 65.55 H new ATOM 0 HD1 PHE A 57 -2.565 -9.387 3.240 1.00 34.03 H new ATOM 0 HD2 PHE A 57 -0.951 -5.450 3.337 1.00 73.41 H new ATOM 0 HE1 PHE A 57 -0.795 -10.074 1.675 1.00 11.45 H new ATOM 0 HE2 PHE A 57 0.818 -6.130 1.793 1.00 32.52 H new ATOM 0 HZ PHE A 57 0.903 -8.443 0.951 1.00 10.54 H new ATOM 891 N PHE A 58 -1.349 -5.158 6.361 1.00 73.21 N ATOM 892 CA PHE A 58 -0.184 -4.362 6.732 1.00 72.34 C ATOM 893 C PHE A 58 0.490 -4.953 7.971 1.00 43.33 C ATOM 894 O PHE A 58 1.709 -5.123 8.009 1.00 34.50 O ATOM 895 CB PHE A 58 -0.576 -2.907 7.007 1.00 44.13 C ATOM 896 CG PHE A 58 -1.243 -2.203 5.856 1.00 32.25 C ATOM 897 CD1 PHE A 58 -1.052 -2.620 4.550 1.00 3.54 C ATOM 898 CD2 PHE A 58 -2.076 -1.122 6.092 1.00 54.51 C ATOM 899 CE1 PHE A 58 -1.679 -1.970 3.502 1.00 51.44 C ATOM 900 CE2 PHE A 58 -2.705 -0.470 5.050 1.00 54.12 C ATOM 901 CZ PHE A 58 -2.506 -0.894 3.753 1.00 52.13 C ATOM 0 H PHE A 58 -2.219 -4.630 6.293 1.00 73.21 H new ATOM 0 HA PHE A 58 0.514 -4.382 5.895 1.00 72.34 H new ATOM 0 HB2 PHE A 58 -1.246 -2.883 7.867 1.00 44.13 H new ATOM 0 HB3 PHE A 58 0.319 -2.351 7.285 1.00 44.13 H new ATOM 0 HD1 PHE A 58 -0.407 -3.462 4.347 1.00 3.54 H new ATOM 0 HD2 PHE A 58 -2.236 -0.784 7.105 1.00 54.51 H new ATOM 0 HE1 PHE A 58 -1.521 -2.305 2.487 1.00 51.44 H new ATOM 0 HE2 PHE A 58 -3.352 0.371 5.251 1.00 54.12 H new ATOM 0 HZ PHE A 58 -2.996 -0.385 2.936 1.00 52.13 H new ATOM 911 N PHE A 59 -0.317 -5.290 8.970 1.00 22.24 N ATOM 912 CA PHE A 59 0.198 -5.833 10.221 1.00 20.21 C ATOM 913 C PHE A 59 0.731 -7.249 10.012 1.00 75.51 C ATOM 914 O PHE A 59 1.683 -7.671 10.668 1.00 72.13 O ATOM 915 CB PHE A 59 -0.902 -5.825 11.285 1.00 4.54 C ATOM 916 CG PHE A 59 -0.402 -6.099 12.674 1.00 25.42 C ATOM 917 CD1 PHE A 59 0.405 -5.178 13.325 1.00 10.54 C ATOM 918 CD2 PHE A 59 -0.742 -7.269 13.332 1.00 51.12 C ATOM 919 CE1 PHE A 59 0.865 -5.421 14.604 1.00 11.42 C ATOM 920 CE2 PHE A 59 -0.283 -7.516 14.611 1.00 60.23 C ATOM 921 CZ PHE A 59 0.521 -6.591 15.247 1.00 24.31 C ATOM 0 H PHE A 59 -1.332 -5.197 8.938 1.00 22.24 H new ATOM 0 HA PHE A 59 1.022 -5.207 10.563 1.00 20.21 H new ATOM 0 HB2 PHE A 59 -1.400 -4.855 11.273 1.00 4.54 H new ATOM 0 HB3 PHE A 59 -1.652 -6.572 11.025 1.00 4.54 H new ATOM 0 HD1 PHE A 59 0.677 -4.260 12.826 1.00 10.54 H new ATOM 0 HD2 PHE A 59 -1.372 -7.995 12.840 1.00 51.12 H new ATOM 0 HE1 PHE A 59 1.493 -4.696 15.100 1.00 11.42 H new ATOM 0 HE2 PHE A 59 -0.553 -8.433 15.114 1.00 60.23 H new ATOM 0 HZ PHE A 59 0.880 -6.784 16.247 1.00 24.31 H new ATOM 931 N GLN A 60 0.112 -7.968 9.085 1.00 22.53 N ATOM 932 CA GLN A 60 0.525 -9.323 8.731 1.00 34.12 C ATOM 933 C GLN A 60 1.916 -9.288 8.093 1.00 60.33 C ATOM 934 O GLN A 60 2.700 -10.225 8.218 1.00 24.23 O ATOM 935 CB GLN A 60 -0.503 -9.929 7.762 1.00 72.33 C ATOM 936 CG GLN A 60 -0.722 -11.435 7.897 1.00 53.43 C ATOM 937 CD GLN A 60 0.377 -12.278 7.273 1.00 71.11 C ATOM 938 OE1 GLN A 60 0.332 -12.593 6.081 1.00 22.44 O ATOM 939 NE2 GLN A 60 1.350 -12.675 8.074 1.00 62.41 N ATOM 0 H GLN A 60 -0.692 -7.629 8.556 1.00 22.53 H new ATOM 0 HA GLN A 60 0.573 -9.943 9.627 1.00 34.12 H new ATOM 0 HB2 GLN A 60 -1.458 -9.425 7.911 1.00 72.33 H new ATOM 0 HB3 GLN A 60 -0.185 -9.715 6.742 1.00 72.33 H new ATOM 0 HG2 GLN A 60 -0.803 -11.687 8.954 1.00 53.43 H new ATOM 0 HG3 GLN A 60 -1.673 -11.696 7.434 1.00 53.43 H new ATOM 0 HE21 GLN A 60 1.351 -12.393 9.054 1.00 62.41 H new ATOM 0 HE22 GLN A 60 2.100 -13.264 7.712 1.00 62.41 H new ATOM 948 N SER A 61 2.222 -8.179 7.431 1.00 23.50 N ATOM 949 CA SER A 61 3.510 -8.009 6.774 1.00 44.32 C ATOM 950 C SER A 61 4.647 -7.954 7.798 1.00 65.24 C ATOM 951 O SER A 61 5.773 -8.362 7.509 1.00 71.30 O ATOM 952 CB SER A 61 3.495 -6.744 5.920 1.00 0.34 C ATOM 953 OG SER A 61 2.430 -6.781 4.981 1.00 72.23 O ATOM 0 H SER A 61 1.593 -7.382 7.335 1.00 23.50 H new ATOM 0 HA SER A 61 3.685 -8.870 6.129 1.00 44.32 H new ATOM 0 HB2 SER A 61 3.390 -5.869 6.561 1.00 0.34 H new ATOM 0 HB3 SER A 61 4.445 -6.643 5.395 1.00 0.34 H new ATOM 0 HG SER A 61 1.574 -6.769 5.457 1.00 72.23 H new ATOM 959 N GLY A 62 4.346 -7.471 9.000 1.00 0.42 N ATOM 960 CA GLY A 62 5.340 -7.458 10.059 1.00 3.55 C ATOM 961 C GLY A 62 5.837 -6.067 10.400 1.00 15.23 C ATOM 962 O GLY A 62 6.767 -5.914 11.190 1.00 11.31 O ATOM 0 H GLY A 62 3.436 -7.090 9.259 1.00 0.42 H new ATOM 0 HA2 GLY A 62 4.914 -7.913 10.953 1.00 3.55 H new ATOM 0 HA3 GLY A 62 6.187 -8.075 9.760 1.00 3.55 H new ATOM 966 N LEU A 63 5.225 -5.050 9.810 1.00 53.22 N ATOM 967 CA LEU A 63 5.602 -3.672 10.096 1.00 70.04 C ATOM 968 C LEU A 63 4.850 -3.160 11.323 1.00 45.41 C ATOM 969 O LEU A 63 3.703 -3.544 11.557 1.00 3.44 O ATOM 970 CB LEU A 63 5.321 -2.771 8.887 1.00 43.05 C ATOM 971 CG LEU A 63 6.276 -2.939 7.699 1.00 53.40 C ATOM 972 CD1 LEU A 63 5.761 -2.170 6.494 1.00 65.31 C ATOM 973 CD2 LEU A 63 7.675 -2.465 8.071 1.00 31.40 C ATOM 0 H LEU A 63 4.469 -5.151 9.133 1.00 53.22 H new ATOM 0 HA LEU A 63 6.672 -3.645 10.304 1.00 70.04 H new ATOM 0 HB2 LEU A 63 4.305 -2.962 8.543 1.00 43.05 H new ATOM 0 HB3 LEU A 63 5.357 -1.732 9.215 1.00 43.05 H new ATOM 0 HG LEU A 63 6.325 -3.997 7.441 1.00 53.40 H new ATOM 0 HD11 LEU A 63 6.449 -2.299 5.659 1.00 65.31 H new ATOM 0 HD12 LEU A 63 4.777 -2.547 6.215 1.00 65.31 H new ATOM 0 HD13 LEU A 63 5.686 -1.111 6.743 1.00 65.31 H new ATOM 0 HD21 LEU A 63 8.341 -2.591 7.217 1.00 31.40 H new ATOM 0 HD22 LEU A 63 7.640 -1.412 8.352 1.00 31.40 H new ATOM 0 HD23 LEU A 63 8.047 -3.052 8.911 1.00 31.40 H new ATOM 985 N PRO A 64 5.499 -2.312 12.139 1.00 74.25 N ATOM 986 CA PRO A 64 4.871 -1.713 13.322 1.00 41.23 C ATOM 987 C PRO A 64 3.676 -0.825 12.966 1.00 24.21 C ATOM 988 O PRO A 64 3.608 -0.264 11.869 1.00 54.21 O ATOM 989 CB PRO A 64 5.990 -0.877 13.952 1.00 4.54 C ATOM 990 CG PRO A 64 6.993 -0.680 12.870 1.00 33.13 C ATOM 991 CD PRO A 64 6.899 -1.888 11.983 1.00 23.43 C ATOM 0 HA PRO A 64 4.470 -2.476 13.989 1.00 41.23 H new ATOM 0 HB2 PRO A 64 5.610 0.078 14.314 1.00 4.54 H new ATOM 0 HB3 PRO A 64 6.430 -1.390 14.807 1.00 4.54 H new ATOM 0 HG2 PRO A 64 6.786 0.231 12.309 1.00 33.13 H new ATOM 0 HG3 PRO A 64 7.996 -0.579 13.284 1.00 33.13 H new ATOM 0 HD2 PRO A 64 7.133 -1.646 10.946 1.00 23.43 H new ATOM 0 HD3 PRO A 64 7.593 -2.669 12.292 1.00 23.43 H new ATOM 999 N GLN A 65 2.759 -0.683 13.919 1.00 14.41 N ATOM 1000 CA GLN A 65 1.494 0.023 13.711 1.00 53.02 C ATOM 1001 C GLN A 65 1.681 1.467 13.206 1.00 23.22 C ATOM 1002 O GLN A 65 1.027 1.857 12.239 1.00 41.31 O ATOM 1003 CB GLN A 65 0.662 0.008 14.996 1.00 23.42 C ATOM 1004 CG GLN A 65 -0.705 0.656 14.849 1.00 21.31 C ATOM 1005 CD GLN A 65 -1.558 0.496 16.087 1.00 51.32 C ATOM 1006 OE1 GLN A 65 -2.307 -0.471 16.215 1.00 20.14 O ATOM 1007 NE2 GLN A 65 -1.451 1.439 17.008 1.00 62.15 N ATOM 0 H GLN A 65 2.871 -1.055 14.862 1.00 14.41 H new ATOM 0 HA GLN A 65 0.962 -0.512 12.924 1.00 53.02 H new ATOM 0 HB2 GLN A 65 0.531 -1.024 15.321 1.00 23.42 H new ATOM 0 HB3 GLN A 65 1.215 0.522 15.782 1.00 23.42 H new ATOM 0 HG2 GLN A 65 -0.579 1.717 14.633 1.00 21.31 H new ATOM 0 HG3 GLN A 65 -1.222 0.216 13.996 1.00 21.31 H new ATOM 0 HE21 GLN A 65 -0.817 2.225 16.862 1.00 62.15 H new ATOM 0 HE22 GLN A 65 -2.002 1.380 17.864 1.00 62.15 H new ATOM 1016 N PRO A 66 2.550 2.294 13.838 1.00 1.34 N ATOM 1017 CA PRO A 66 2.811 3.661 13.362 1.00 21.13 C ATOM 1018 C PRO A 66 3.258 3.686 11.899 1.00 14.14 C ATOM 1019 O PRO A 66 2.918 4.598 11.144 1.00 43.31 O ATOM 1020 CB PRO A 66 3.936 4.167 14.277 1.00 32.11 C ATOM 1021 CG PRO A 66 4.467 2.956 14.969 1.00 64.30 C ATOM 1022 CD PRO A 66 3.317 1.997 15.058 1.00 4.12 C ATOM 0 HA PRO A 66 1.914 4.279 13.401 1.00 21.13 H new ATOM 0 HB2 PRO A 66 4.717 4.663 13.700 1.00 32.11 H new ATOM 0 HB3 PRO A 66 3.559 4.895 14.995 1.00 32.11 H new ATOM 0 HG2 PRO A 66 5.297 2.520 14.413 1.00 64.30 H new ATOM 0 HG3 PRO A 66 4.845 3.206 15.960 1.00 64.30 H new ATOM 0 HD2 PRO A 66 3.655 0.961 15.081 1.00 4.12 H new ATOM 0 HD3 PRO A 66 2.724 2.159 15.958 1.00 4.12 H new ATOM 1030 N VAL A 67 4.004 2.664 11.508 1.00 31.13 N ATOM 1031 CA VAL A 67 4.476 2.531 10.138 1.00 42.34 C ATOM 1032 C VAL A 67 3.333 2.105 9.217 1.00 70.14 C ATOM 1033 O VAL A 67 3.240 2.552 8.069 1.00 35.32 O ATOM 1034 CB VAL A 67 5.639 1.516 10.059 1.00 1.33 C ATOM 1035 CG1 VAL A 67 6.001 1.196 8.620 1.00 2.21 C ATOM 1036 CG2 VAL A 67 6.853 2.053 10.802 1.00 22.42 C ATOM 0 H VAL A 67 4.298 1.908 12.127 1.00 31.13 H new ATOM 0 HA VAL A 67 4.844 3.502 9.807 1.00 42.34 H new ATOM 0 HB VAL A 67 5.310 0.591 10.532 1.00 1.33 H new ATOM 0 HG11 VAL A 67 6.822 0.479 8.602 1.00 2.21 H new ATOM 0 HG12 VAL A 67 5.136 0.769 8.113 1.00 2.21 H new ATOM 0 HG13 VAL A 67 6.306 2.110 8.110 1.00 2.21 H new ATOM 0 HG21 VAL A 67 7.667 1.330 10.740 1.00 22.42 H new ATOM 0 HG22 VAL A 67 7.169 2.994 10.351 1.00 22.42 H new ATOM 0 HG23 VAL A 67 6.595 2.220 11.848 1.00 22.42 H new ATOM 1046 N LEU A 68 2.457 1.252 9.736 1.00 13.43 N ATOM 1047 CA LEU A 68 1.269 0.820 9.006 1.00 73.40 C ATOM 1048 C LEU A 68 0.372 2.012 8.715 1.00 34.30 C ATOM 1049 O LEU A 68 -0.057 2.228 7.580 1.00 65.23 O ATOM 1050 CB LEU A 68 0.485 -0.200 9.827 1.00 72.31 C ATOM 1051 CG LEU A 68 1.285 -1.415 10.283 1.00 54.22 C ATOM 1052 CD1 LEU A 68 0.387 -2.397 11.015 1.00 41.30 C ATOM 1053 CD2 LEU A 68 1.969 -2.075 9.099 1.00 64.30 C ATOM 0 H LEU A 68 2.548 0.843 10.666 1.00 13.43 H new ATOM 0 HA LEU A 68 1.590 0.364 8.069 1.00 73.40 H new ATOM 0 HB2 LEU A 68 0.079 0.299 10.707 1.00 72.31 H new ATOM 0 HB3 LEU A 68 -0.364 -0.544 9.236 1.00 72.31 H new ATOM 0 HG LEU A 68 2.058 -1.085 10.977 1.00 54.22 H new ATOM 0 HD11 LEU A 68 0.974 -3.259 11.334 1.00 41.30 H new ATOM 0 HD12 LEU A 68 -0.048 -1.911 11.888 1.00 41.30 H new ATOM 0 HD13 LEU A 68 -0.410 -2.727 10.349 1.00 41.30 H new ATOM 0 HD21 LEU A 68 2.536 -2.941 9.442 1.00 64.30 H new ATOM 0 HD22 LEU A 68 1.218 -2.396 8.377 1.00 64.30 H new ATOM 0 HD23 LEU A 68 2.645 -1.363 8.626 1.00 64.30 H new ATOM 1065 N ALA A 69 0.099 2.777 9.766 1.00 53.11 N ATOM 1066 CA ALA A 69 -0.711 3.983 9.670 1.00 30.50 C ATOM 1067 C ALA A 69 -0.113 4.949 8.661 1.00 10.11 C ATOM 1068 O ALA A 69 -0.832 5.556 7.875 1.00 13.03 O ATOM 1069 CB ALA A 69 -0.833 4.647 11.034 1.00 52.53 C ATOM 0 H ALA A 69 0.434 2.577 10.709 1.00 53.11 H new ATOM 0 HA ALA A 69 -1.708 3.704 9.328 1.00 30.50 H new ATOM 0 HB1 ALA A 69 -1.441 5.547 10.947 1.00 52.53 H new ATOM 0 HB2 ALA A 69 -1.304 3.957 11.734 1.00 52.53 H new ATOM 0 HB3 ALA A 69 0.159 4.913 11.399 1.00 52.53 H new ATOM 1075 N GLN A 70 1.208 5.068 8.684 1.00 43.20 N ATOM 1076 CA GLN A 70 1.931 5.914 7.750 1.00 55.33 C ATOM 1077 C GLN A 70 1.626 5.499 6.312 1.00 73.30 C ATOM 1078 O GLN A 70 1.333 6.336 5.458 1.00 54.42 O ATOM 1079 CB GLN A 70 3.428 5.789 8.034 1.00 42.22 C ATOM 1080 CG GLN A 70 4.251 7.036 7.757 1.00 63.33 C ATOM 1081 CD GLN A 70 4.200 7.487 6.314 1.00 54.42 C ATOM 1082 OE1 GLN A 70 4.966 7.008 5.473 1.00 12.21 O ATOM 1083 NE2 GLN A 70 3.319 8.426 6.026 1.00 23.23 N ATOM 0 H GLN A 70 1.806 4.580 9.351 1.00 43.20 H new ATOM 0 HA GLN A 70 1.619 6.951 7.875 1.00 55.33 H new ATOM 0 HB2 GLN A 70 3.560 5.512 9.080 1.00 42.22 H new ATOM 0 HB3 GLN A 70 3.827 4.971 7.435 1.00 42.22 H new ATOM 0 HG2 GLN A 70 3.895 7.845 8.395 1.00 63.33 H new ATOM 0 HG3 GLN A 70 5.288 6.845 8.033 1.00 63.33 H new ATOM 0 HE21 GLN A 70 2.706 8.792 6.755 1.00 23.23 H new ATOM 0 HE22 GLN A 70 3.250 8.786 5.074 1.00 23.23 H new ATOM 1092 N ILE A 71 1.684 4.198 6.054 1.00 3.53 N ATOM 1093 CA ILE A 71 1.402 3.678 4.722 1.00 63.42 C ATOM 1094 C ILE A 71 -0.049 3.949 4.335 1.00 21.52 C ATOM 1095 O ILE A 71 -0.322 4.476 3.262 1.00 63.13 O ATOM 1096 CB ILE A 71 1.687 2.161 4.627 1.00 4.44 C ATOM 1097 CG1 ILE A 71 3.188 1.897 4.764 1.00 20.25 C ATOM 1098 CG2 ILE A 71 1.162 1.587 3.315 1.00 44.50 C ATOM 1099 CD1 ILE A 71 3.538 0.430 4.881 1.00 13.15 C ATOM 0 H ILE A 71 1.922 3.487 6.746 1.00 3.53 H new ATOM 0 HA ILE A 71 2.065 4.195 4.029 1.00 63.42 H new ATOM 0 HB ILE A 71 1.166 1.663 5.444 1.00 4.44 H new ATOM 0 HG12 ILE A 71 3.702 2.317 3.899 1.00 20.25 H new ATOM 0 HG13 ILE A 71 3.562 2.422 5.643 1.00 20.25 H new ATOM 0 HG21 ILE A 71 1.375 0.519 3.274 1.00 44.50 H new ATOM 0 HG22 ILE A 71 0.085 1.744 3.254 1.00 44.50 H new ATOM 0 HG23 ILE A 71 1.650 2.087 2.478 1.00 44.50 H new ATOM 0 HD11 ILE A 71 4.618 0.320 4.975 1.00 13.15 H new ATOM 0 HD12 ILE A 71 3.053 0.009 5.762 1.00 13.15 H new ATOM 0 HD13 ILE A 71 3.195 -0.098 3.991 1.00 13.15 H new ATOM 1111 N TRP A 72 -0.963 3.620 5.236 1.00 53.44 N ATOM 1112 CA TRP A 72 -2.388 3.761 4.972 1.00 3.14 C ATOM 1113 C TRP A 72 -2.780 5.227 4.815 1.00 70.52 C ATOM 1114 O TRP A 72 -3.567 5.570 3.934 1.00 22.40 O ATOM 1115 CB TRP A 72 -3.192 3.108 6.101 1.00 41.02 C ATOM 1116 CG TRP A 72 -4.670 3.078 5.851 1.00 4.03 C ATOM 1117 CD1 TRP A 72 -5.297 2.889 4.656 1.00 32.12 C ATOM 1118 CD2 TRP A 72 -5.701 3.216 6.829 1.00 62.01 C ATOM 1119 NE1 TRP A 72 -6.659 2.921 4.829 1.00 12.53 N ATOM 1120 CE2 TRP A 72 -6.932 3.116 6.157 1.00 52.51 C ATOM 1121 CE3 TRP A 72 -5.705 3.421 8.207 1.00 64.43 C ATOM 1122 CZ2 TRP A 72 -8.151 3.211 6.820 1.00 40.24 C ATOM 1123 CZ3 TRP A 72 -6.915 3.513 8.864 1.00 54.44 C ATOM 1124 CH2 TRP A 72 -8.126 3.407 8.170 1.00 43.30 C ATOM 0 H TRP A 72 -0.742 3.252 6.161 1.00 53.44 H new ATOM 0 HA TRP A 72 -2.615 3.257 4.033 1.00 3.14 H new ATOM 0 HB2 TRP A 72 -2.836 2.088 6.245 1.00 41.02 H new ATOM 0 HB3 TRP A 72 -3.001 3.646 7.029 1.00 41.02 H new ATOM 0 HD1 TRP A 72 -4.796 2.736 3.711 1.00 32.12 H new ATOM 0 HE1 TRP A 72 -7.354 2.817 4.089 1.00 12.53 H new ATOM 0 HE3 TRP A 72 -4.777 3.506 8.752 1.00 64.43 H new ATOM 0 HZ2 TRP A 72 -9.086 3.132 6.284 1.00 40.24 H new ATOM 0 HZ3 TRP A 72 -6.928 3.670 9.933 1.00 54.44 H new ATOM 0 HH2 TRP A 72 -9.057 3.482 8.713 1.00 43.30 H new ATOM 1135 N ALA A 73 -2.215 6.091 5.653 1.00 1.20 N ATOM 1136 CA ALA A 73 -2.546 7.510 5.617 1.00 31.44 C ATOM 1137 C ALA A 73 -2.084 8.146 4.309 1.00 41.25 C ATOM 1138 O ALA A 73 -2.674 9.116 3.833 1.00 21.05 O ATOM 1139 CB ALA A 73 -1.931 8.234 6.803 1.00 53.43 C ATOM 0 H ALA A 73 -1.529 5.834 6.362 1.00 1.20 H new ATOM 0 HA ALA A 73 -3.630 7.603 5.677 1.00 31.44 H new ATOM 0 HB1 ALA A 73 -2.190 9.292 6.758 1.00 53.43 H new ATOM 0 HB2 ALA A 73 -2.314 7.806 7.729 1.00 53.43 H new ATOM 0 HB3 ALA A 73 -0.847 8.124 6.774 1.00 53.43 H new ATOM 1145 N LEU A 74 -1.010 7.606 3.752 1.00 43.24 N ATOM 1146 CA LEU A 74 -0.512 8.043 2.459 1.00 71.22 C ATOM 1147 C LEU A 74 -1.322 7.432 1.326 1.00 43.04 C ATOM 1148 O LEU A 74 -1.727 8.124 0.391 1.00 44.10 O ATOM 1149 CB LEU A 74 0.958 7.651 2.304 1.00 14.05 C ATOM 1150 CG LEU A 74 1.970 8.650 2.858 1.00 1.13 C ATOM 1151 CD1 LEU A 74 3.386 8.126 2.677 1.00 0.22 C ATOM 1152 CD2 LEU A 74 1.800 9.987 2.163 1.00 51.41 C ATOM 0 H LEU A 74 -0.464 6.859 4.181 1.00 43.24 H new ATOM 0 HA LEU A 74 -0.609 9.128 2.410 1.00 71.22 H new ATOM 0 HB2 LEU A 74 1.114 6.692 2.798 1.00 14.05 H new ATOM 0 HB3 LEU A 74 1.165 7.501 1.244 1.00 14.05 H new ATOM 0 HG LEU A 74 1.793 8.783 3.925 1.00 1.13 H new ATOM 0 HD11 LEU A 74 4.096 8.850 3.077 1.00 0.22 H new ATOM 0 HD12 LEU A 74 3.495 7.180 3.208 1.00 0.22 H new ATOM 0 HD13 LEU A 74 3.584 7.972 1.616 1.00 0.22 H new ATOM 0 HD21 LEU A 74 2.524 10.698 2.561 1.00 51.41 H new ATOM 0 HD22 LEU A 74 1.963 9.864 1.092 1.00 51.41 H new ATOM 0 HD23 LEU A 74 0.791 10.361 2.336 1.00 51.41 H new ATOM 1164 N ALA A 75 -1.554 6.131 1.422 1.00 55.20 N ATOM 1165 CA ALA A 75 -2.212 5.383 0.364 1.00 31.44 C ATOM 1166 C ALA A 75 -3.647 5.842 0.158 1.00 22.14 C ATOM 1167 O ALA A 75 -4.058 6.125 -0.970 1.00 32.30 O ATOM 1168 CB ALA A 75 -2.179 3.902 0.674 1.00 31.34 C ATOM 0 H ALA A 75 -1.293 5.568 2.231 1.00 55.20 H new ATOM 0 HA ALA A 75 -1.668 5.571 -0.561 1.00 31.44 H new ATOM 0 HB1 ALA A 75 -2.675 3.352 -0.126 1.00 31.34 H new ATOM 0 HB2 ALA A 75 -1.144 3.570 0.755 1.00 31.34 H new ATOM 0 HB3 ALA A 75 -2.694 3.716 1.616 1.00 31.34 H new ATOM 1174 N ASP A 76 -4.411 5.924 1.243 1.00 64.21 N ATOM 1175 CA ASP A 76 -5.794 6.363 1.151 1.00 34.10 C ATOM 1176 C ASP A 76 -5.831 7.876 1.003 1.00 3.23 C ATOM 1177 O ASP A 76 -6.003 8.615 1.978 1.00 64.01 O ATOM 1178 CB ASP A 76 -6.604 5.923 2.373 1.00 21.41 C ATOM 1179 CG ASP A 76 -8.102 5.925 2.111 1.00 55.22 C ATOM 1180 OD1 ASP A 76 -8.563 6.686 1.232 1.00 34.11 O ATOM 1181 OD2 ASP A 76 -8.830 5.156 2.779 1.00 31.45 O ATOM 0 H ASP A 76 -4.098 5.694 2.186 1.00 64.21 H new ATOM 0 HA ASP A 76 -6.249 5.899 0.276 1.00 34.10 H new ATOM 0 HB2 ASP A 76 -6.292 4.922 2.670 1.00 21.41 H new ATOM 0 HB3 ASP A 76 -6.384 6.587 3.209 1.00 21.41 H new ATOM 1186 N MET A 77 -5.625 8.323 -0.227 1.00 50.43 N ATOM 1187 CA MET A 77 -5.576 9.742 -0.554 1.00 30.31 C ATOM 1188 C MET A 77 -6.894 10.430 -0.225 1.00 31.11 C ATOM 1189 O MET A 77 -6.918 11.609 0.120 1.00 4.13 O ATOM 1190 CB MET A 77 -5.238 9.926 -2.037 1.00 43.33 C ATOM 1191 CG MET A 77 -3.861 9.407 -2.414 1.00 4.52 C ATOM 1192 SD MET A 77 -3.558 9.456 -4.193 1.00 74.25 S ATOM 1193 CE MET A 77 -4.712 8.211 -4.769 1.00 53.34 C ATOM 0 H MET A 77 -5.486 7.710 -1.030 1.00 50.43 H new ATOM 0 HA MET A 77 -4.796 10.204 0.052 1.00 30.31 H new ATOM 0 HB2 MET A 77 -5.988 9.413 -2.639 1.00 43.33 H new ATOM 0 HB3 MET A 77 -5.299 10.985 -2.287 1.00 43.33 H new ATOM 0 HG2 MET A 77 -3.102 10.000 -1.904 1.00 4.52 H new ATOM 0 HG3 MET A 77 -3.755 8.382 -2.060 1.00 4.52 H new ATOM 0 HE1 MET A 77 -4.581 8.061 -5.841 1.00 53.34 H new ATOM 0 HE2 MET A 77 -4.526 7.273 -4.246 1.00 53.34 H new ATOM 0 HE3 MET A 77 -5.732 8.541 -4.571 1.00 53.34 H new ATOM 1203 N ASN A 78 -7.986 9.682 -0.314 1.00 73.40 N ATOM 1204 CA ASN A 78 -9.311 10.228 -0.055 1.00 11.35 C ATOM 1205 C ASN A 78 -9.649 10.078 1.419 1.00 60.23 C ATOM 1206 O ASN A 78 -10.630 10.643 1.900 1.00 0.54 O ATOM 1207 CB ASN A 78 -10.373 9.510 -0.896 1.00 1.04 C ATOM 1208 CG ASN A 78 -9.869 9.124 -2.271 1.00 1.31 C ATOM 1209 OD1 ASN A 78 -9.892 9.920 -3.209 1.00 53.21 O ATOM 1210 ND2 ASN A 78 -9.420 7.885 -2.400 1.00 30.32 N ATOM 0 H ASN A 78 -7.980 8.693 -0.564 1.00 73.40 H new ATOM 0 HA ASN A 78 -9.305 11.283 -0.328 1.00 11.35 H new ATOM 0 HB2 ASN A 78 -10.702 8.614 -0.370 1.00 1.04 H new ATOM 0 HB3 ASN A 78 -11.245 10.156 -1.001 1.00 1.04 H new ATOM 0 HD21 ASN A 78 -9.076 7.559 -3.303 1.00 30.32 H new ATOM 0 HD22 ASN A 78 -9.418 7.257 -1.596 1.00 30.32 H new ATOM 1217 N ASN A 79 -8.816 9.308 2.118 1.00 24.14 N ATOM 1218 CA ASN A 79 -9.022 8.981 3.526 1.00 75.20 C ATOM 1219 C ASN A 79 -10.420 8.405 3.736 1.00 23.30 C ATOM 1220 O ASN A 79 -11.149 8.794 4.651 1.00 21.51 O ATOM 1221 CB ASN A 79 -8.799 10.200 4.423 1.00 13.10 C ATOM 1222 CG ASN A 79 -8.506 9.803 5.861 1.00 42.44 C ATOM 1223 OD1 ASN A 79 -7.799 8.694 6.042 1.00 51.41 O flip ATOM 1224 ND2 ASN A 79 -8.902 10.490 6.799 1.00 5.30 N flip ATOM 0 H ASN A 79 -7.974 8.892 1.720 1.00 24.14 H new ATOM 0 HA ASN A 79 -8.286 8.228 3.807 1.00 75.20 H new ATOM 0 HB2 ASN A 79 -7.969 10.790 4.033 1.00 13.10 H new ATOM 0 HB3 ASN A 79 -9.683 10.837 4.396 1.00 13.10 H new ATOM 0 HD21 ASN A 79 -9.443 11.336 6.619 1.00 5.30 H new ATOM 0 HD22 ASN A 79 -8.690 10.215 7.758 1.00 5.30 H new ATOM 1231 N ASP A 80 -10.769 7.458 2.876 1.00 24.43 N ATOM 1232 CA ASP A 80 -12.078 6.821 2.904 1.00 13.32 C ATOM 1233 C ASP A 80 -12.166 5.878 4.088 1.00 42.24 C ATOM 1234 O ASP A 80 -13.217 5.734 4.713 1.00 21.31 O ATOM 1235 CB ASP A 80 -12.319 6.054 1.598 1.00 71.50 C ATOM 1236 CG ASP A 80 -13.660 5.342 1.568 1.00 41.35 C ATOM 1237 OD1 ASP A 80 -14.691 6.017 1.341 1.00 42.31 O ATOM 1238 OD2 ASP A 80 -13.688 4.105 1.744 1.00 42.31 O ATOM 0 H ASP A 80 -10.154 7.110 2.141 1.00 24.43 H new ATOM 0 HA ASP A 80 -12.845 7.589 3.005 1.00 13.32 H new ATOM 0 HB2 ASP A 80 -12.263 6.748 0.760 1.00 71.50 H new ATOM 0 HB3 ASP A 80 -11.522 5.323 1.460 1.00 71.50 H new ATOM 1243 N GLY A 81 -11.045 5.248 4.401 1.00 64.43 N ATOM 1244 CA GLY A 81 -10.999 4.335 5.517 1.00 73.45 C ATOM 1245 C GLY A 81 -11.035 2.894 5.061 1.00 10.53 C ATOM 1246 O GLY A 81 -11.066 1.973 5.879 1.00 40.31 O ATOM 0 H GLY A 81 -10.164 5.355 3.898 1.00 64.43 H new ATOM 0 HA2 GLY A 81 -10.092 4.512 6.095 1.00 73.45 H new ATOM 0 HA3 GLY A 81 -11.842 4.528 6.180 1.00 73.45 H new ATOM 1250 N ARG A 82 -11.028 2.703 3.751 1.00 62.24 N ATOM 1251 CA ARG A 82 -11.062 1.369 3.165 1.00 21.14 C ATOM 1252 C ARG A 82 -10.109 1.266 1.989 1.00 1.31 C ATOM 1253 O ARG A 82 -9.558 0.198 1.721 1.00 1.25 O ATOM 1254 CB ARG A 82 -12.472 1.024 2.695 1.00 25.21 C ATOM 1255 CG ARG A 82 -13.439 0.698 3.816 1.00 30.12 C ATOM 1256 CD ARG A 82 -14.820 0.407 3.264 1.00 33.14 C ATOM 1257 NE ARG A 82 -15.722 -0.154 4.268 1.00 45.22 N ATOM 1258 CZ ARG A 82 -17.040 0.018 4.244 1.00 71.32 C ATOM 1259 NH1 ARG A 82 -17.589 0.862 3.377 1.00 75.25 N ATOM 1260 NH2 ARG A 82 -17.813 -0.620 5.112 1.00 54.53 N ATOM 0 H ARG A 82 -10.999 3.460 3.068 1.00 62.24 H new ATOM 0 HA ARG A 82 -10.753 0.665 3.937 1.00 21.14 H new ATOM 0 HB2 ARG A 82 -12.867 1.863 2.122 1.00 25.21 H new ATOM 0 HB3 ARG A 82 -12.419 0.172 2.017 1.00 25.21 H new ATOM 0 HG2 ARG A 82 -13.077 -0.164 4.376 1.00 30.12 H new ATOM 0 HG3 ARG A 82 -13.490 1.534 4.514 1.00 30.12 H new ATOM 0 HD2 ARG A 82 -15.250 1.327 2.869 1.00 33.14 H new ATOM 0 HD3 ARG A 82 -14.734 -0.289 2.429 1.00 33.14 H new ATOM 0 HE ARG A 82 -15.320 -0.706 5.026 1.00 45.22 H new ATOM 0 HH11 ARG A 82 -16.999 1.381 2.727 1.00 75.25 H new ATOM 0 HH12 ARG A 82 -18.601 0.991 3.362 1.00 75.25 H new ATOM 0 HH21 ARG A 82 -17.397 -1.246 5.802 1.00 54.53 H new ATOM 0 HH22 ARG A 82 -18.824 -0.485 5.090 1.00 54.53 H new ATOM 1274 N MET A 83 -9.922 2.396 1.312 1.00 33.02 N ATOM 1275 CA MET A 83 -9.153 2.474 0.069 1.00 54.31 C ATOM 1276 C MET A 83 -9.867 1.754 -1.071 1.00 11.20 C ATOM 1277 O MET A 83 -10.626 0.806 -0.860 1.00 64.22 O ATOM 1278 CB MET A 83 -7.738 1.908 0.233 1.00 34.42 C ATOM 1279 CG MET A 83 -6.851 2.737 1.146 1.00 22.14 C ATOM 1280 SD MET A 83 -5.141 2.164 1.177 1.00 40.11 S ATOM 1281 CE MET A 83 -5.343 0.530 1.874 1.00 30.43 C ATOM 0 H MET A 83 -10.303 3.293 1.612 1.00 33.02 H new ATOM 0 HA MET A 83 -9.070 3.532 -0.178 1.00 54.31 H new ATOM 0 HB2 MET A 83 -7.805 0.895 0.629 1.00 34.42 H new ATOM 0 HB3 MET A 83 -7.269 1.837 -0.748 1.00 34.42 H new ATOM 0 HG2 MET A 83 -6.874 3.777 0.820 1.00 22.14 H new ATOM 0 HG3 MET A 83 -7.255 2.711 2.158 1.00 22.14 H new ATOM 0 HE1 MET A 83 -4.793 0.464 2.813 1.00 30.43 H new ATOM 0 HE2 MET A 83 -6.401 0.341 2.059 1.00 30.43 H new ATOM 0 HE3 MET A 83 -4.958 -0.213 1.176 1.00 30.43 H new ATOM 1291 N ASP A 84 -9.638 2.228 -2.281 1.00 2.40 N ATOM 1292 CA ASP A 84 -10.167 1.580 -3.465 1.00 11.24 C ATOM 1293 C ASP A 84 -9.013 0.904 -4.197 1.00 25.14 C ATOM 1294 O ASP A 84 -7.920 0.794 -3.650 1.00 63.42 O ATOM 1295 CB ASP A 84 -10.873 2.614 -4.357 1.00 40.04 C ATOM 1296 CG ASP A 84 -11.747 1.987 -5.426 1.00 23.11 C ATOM 1297 OD1 ASP A 84 -12.939 1.736 -5.158 1.00 35.02 O ATOM 1298 OD2 ASP A 84 -11.246 1.745 -6.539 1.00 71.34 O ATOM 0 H ASP A 84 -9.086 3.065 -2.470 1.00 2.40 H new ATOM 0 HA ASP A 84 -10.906 0.826 -3.193 1.00 11.24 H new ATOM 0 HB2 ASP A 84 -11.485 3.265 -3.732 1.00 40.04 H new ATOM 0 HB3 ASP A 84 -10.123 3.244 -4.834 1.00 40.04 H new ATOM 1303 N GLN A 85 -9.242 0.469 -5.423 1.00 65.04 N ATOM 1304 CA GLN A 85 -8.247 -0.287 -6.175 1.00 35.12 C ATOM 1305 C GLN A 85 -7.091 0.619 -6.579 1.00 12.21 C ATOM 1306 O GLN A 85 -5.957 0.168 -6.738 1.00 61.13 O ATOM 1307 CB GLN A 85 -8.898 -0.897 -7.418 1.00 35.02 C ATOM 1308 CG GLN A 85 -10.289 -1.475 -7.171 1.00 32.23 C ATOM 1309 CD GLN A 85 -10.295 -2.607 -6.164 1.00 40.40 C ATOM 1310 OE1 GLN A 85 -10.520 -2.284 -4.892 1.00 20.11 O flip ATOM 1311 NE2 GLN A 85 -10.116 -3.764 -6.528 1.00 21.25 N flip ATOM 0 H GLN A 85 -10.115 0.626 -5.926 1.00 65.04 H new ATOM 0 HA GLN A 85 -7.856 -1.087 -5.546 1.00 35.12 H new ATOM 0 HB2 GLN A 85 -8.966 -0.133 -8.192 1.00 35.02 H new ATOM 0 HB3 GLN A 85 -8.252 -1.685 -7.804 1.00 35.02 H new ATOM 0 HG2 GLN A 85 -10.948 -0.681 -6.819 1.00 32.23 H new ATOM 0 HG3 GLN A 85 -10.699 -1.835 -8.115 1.00 32.23 H new ATOM 0 HE21 GLN A 85 -9.947 -3.968 -7.513 1.00 21.25 H new ATOM 0 HE22 GLN A 85 -10.136 -4.522 -5.846 1.00 21.25 H new ATOM 1320 N VAL A 86 -7.386 1.903 -6.727 1.00 1.04 N ATOM 1321 CA VAL A 86 -6.365 2.889 -7.052 1.00 3.14 C ATOM 1322 C VAL A 86 -5.444 3.106 -5.855 1.00 53.12 C ATOM 1323 O VAL A 86 -4.227 2.940 -5.952 1.00 23.11 O ATOM 1324 CB VAL A 86 -6.993 4.239 -7.459 1.00 64.31 C ATOM 1325 CG1 VAL A 86 -5.918 5.223 -7.897 1.00 3.31 C ATOM 1326 CG2 VAL A 86 -8.022 4.039 -8.560 1.00 65.20 C ATOM 0 H VAL A 86 -8.326 2.287 -6.627 1.00 1.04 H new ATOM 0 HA VAL A 86 -5.793 2.504 -7.896 1.00 3.14 H new ATOM 0 HB VAL A 86 -7.500 4.657 -6.589 1.00 64.31 H new ATOM 0 HG11 VAL A 86 -6.383 6.168 -8.179 1.00 3.31 H new ATOM 0 HG12 VAL A 86 -5.223 5.392 -7.075 1.00 3.31 H new ATOM 0 HG13 VAL A 86 -5.377 4.815 -8.751 1.00 3.31 H new ATOM 0 HG21 VAL A 86 -8.454 5.002 -8.834 1.00 65.20 H new ATOM 0 HG22 VAL A 86 -7.541 3.596 -9.432 1.00 65.20 H new ATOM 0 HG23 VAL A 86 -8.810 3.375 -8.205 1.00 65.20 H new ATOM 1336 N GLU A 87 -6.045 3.451 -4.724 1.00 33.02 N ATOM 1337 CA GLU A 87 -5.304 3.707 -3.495 1.00 64.44 C ATOM 1338 C GLU A 87 -4.588 2.445 -3.016 1.00 43.30 C ATOM 1339 O GLU A 87 -3.503 2.515 -2.444 1.00 32.13 O ATOM 1340 CB GLU A 87 -6.245 4.228 -2.398 1.00 41.31 C ATOM 1341 CG GLU A 87 -6.833 5.612 -2.670 1.00 61.13 C ATOM 1342 CD GLU A 87 -7.812 5.637 -3.828 1.00 50.01 C ATOM 1343 OE1 GLU A 87 -8.453 4.599 -4.087 1.00 0.32 O ATOM 1344 OE2 GLU A 87 -7.965 6.703 -4.469 1.00 44.33 O ATOM 0 H GLU A 87 -7.055 3.561 -4.632 1.00 33.02 H new ATOM 0 HA GLU A 87 -4.554 4.469 -3.707 1.00 64.44 H new ATOM 0 HB2 GLU A 87 -7.063 3.518 -2.272 1.00 41.31 H new ATOM 0 HB3 GLU A 87 -5.700 4.258 -1.454 1.00 41.31 H new ATOM 0 HG2 GLU A 87 -7.337 5.967 -1.771 1.00 61.13 H new ATOM 0 HG3 GLU A 87 -6.021 6.309 -2.876 1.00 61.13 H new ATOM 1351 N PHE A 88 -5.190 1.291 -3.265 1.00 72.41 N ATOM 1352 CA PHE A 88 -4.573 0.026 -2.904 1.00 33.11 C ATOM 1353 C PHE A 88 -3.357 -0.244 -3.781 1.00 54.53 C ATOM 1354 O PHE A 88 -2.329 -0.731 -3.306 1.00 64.14 O ATOM 1355 CB PHE A 88 -5.573 -1.125 -3.041 1.00 44.40 C ATOM 1356 CG PHE A 88 -5.006 -2.452 -2.631 1.00 30.14 C ATOM 1357 CD1 PHE A 88 -4.327 -3.247 -3.544 1.00 1.02 C ATOM 1358 CD2 PHE A 88 -5.138 -2.897 -1.329 1.00 50.10 C ATOM 1359 CE1 PHE A 88 -3.796 -4.462 -3.163 1.00 23.43 C ATOM 1360 CE2 PHE A 88 -4.605 -4.109 -0.944 1.00 55.02 C ATOM 1361 CZ PHE A 88 -3.933 -4.892 -1.862 1.00 74.35 C ATOM 0 H PHE A 88 -6.102 1.206 -3.714 1.00 72.41 H new ATOM 0 HA PHE A 88 -4.255 0.093 -1.864 1.00 33.11 H new ATOM 0 HB2 PHE A 88 -6.451 -0.909 -2.433 1.00 44.40 H new ATOM 0 HB3 PHE A 88 -5.909 -1.185 -4.076 1.00 44.40 H new ATOM 0 HD1 PHE A 88 -4.213 -2.911 -4.564 1.00 1.02 H new ATOM 0 HD2 PHE A 88 -5.663 -2.290 -0.607 1.00 50.10 H new ATOM 0 HE1 PHE A 88 -3.274 -5.074 -3.883 1.00 23.43 H new ATOM 0 HE2 PHE A 88 -4.713 -4.446 0.076 1.00 55.02 H new ATOM 0 HZ PHE A 88 -3.515 -5.841 -1.560 1.00 74.35 H new ATOM 1371 N SER A 89 -3.478 0.086 -5.061 1.00 45.24 N ATOM 1372 CA SER A 89 -2.425 -0.188 -6.025 1.00 54.41 C ATOM 1373 C SER A 89 -1.136 0.536 -5.632 1.00 73.42 C ATOM 1374 O SER A 89 -0.037 -0.003 -5.778 1.00 24.22 O ATOM 1375 CB SER A 89 -2.861 0.234 -7.434 1.00 53.00 C ATOM 1376 OG SER A 89 -1.927 -0.198 -8.417 1.00 61.31 O ATOM 0 H SER A 89 -4.299 0.546 -5.455 1.00 45.24 H new ATOM 0 HA SER A 89 -2.235 -1.261 -6.027 1.00 54.41 H new ATOM 0 HB2 SER A 89 -3.843 -0.185 -7.654 1.00 53.00 H new ATOM 0 HB3 SER A 89 -2.961 1.319 -7.476 1.00 53.00 H new ATOM 0 HG SER A 89 -2.323 -0.919 -8.949 1.00 61.31 H new ATOM 1382 N ILE A 90 -1.279 1.751 -5.114 1.00 21.12 N ATOM 1383 CA ILE A 90 -0.128 2.550 -4.709 1.00 53.30 C ATOM 1384 C ILE A 90 0.347 2.151 -3.305 1.00 51.42 C ATOM 1385 O ILE A 90 1.532 2.263 -2.983 1.00 65.55 O ATOM 1386 CB ILE A 90 -0.452 4.067 -4.776 1.00 32.02 C ATOM 1387 CG1 ILE A 90 0.788 4.909 -4.463 1.00 72.44 C ATOM 1388 CG2 ILE A 90 -1.588 4.431 -3.832 1.00 73.34 C ATOM 1389 CD1 ILE A 90 0.563 6.401 -4.599 1.00 53.25 C ATOM 0 H ILE A 90 -2.180 2.204 -4.965 1.00 21.12 H new ATOM 0 HA ILE A 90 0.683 2.350 -5.409 1.00 53.30 H new ATOM 0 HB ILE A 90 -0.771 4.287 -5.795 1.00 32.02 H new ATOM 0 HG12 ILE A 90 1.117 4.692 -3.447 1.00 72.44 H new ATOM 0 HG13 ILE A 90 1.597 4.610 -5.130 1.00 72.44 H new ATOM 0 HG21 ILE A 90 -1.791 5.500 -3.902 1.00 73.34 H new ATOM 0 HG22 ILE A 90 -2.483 3.873 -4.107 1.00 73.34 H new ATOM 0 HG23 ILE A 90 -1.305 4.182 -2.809 1.00 73.34 H new ATOM 0 HD11 ILE A 90 1.485 6.931 -4.362 1.00 53.25 H new ATOM 0 HD12 ILE A 90 0.264 6.632 -5.622 1.00 53.25 H new ATOM 0 HD13 ILE A 90 -0.223 6.715 -3.912 1.00 53.25 H new ATOM 1401 N ALA A 91 -0.580 1.646 -2.491 1.00 64.43 N ATOM 1402 CA ALA A 91 -0.264 1.205 -1.133 1.00 62.15 C ATOM 1403 C ALA A 91 0.706 0.034 -1.145 1.00 44.33 C ATOM 1404 O ALA A 91 1.578 -0.073 -0.281 1.00 21.24 O ATOM 1405 CB ALA A 91 -1.534 0.804 -0.398 1.00 40.41 C ATOM 0 H ALA A 91 -1.560 1.532 -2.750 1.00 64.43 H new ATOM 0 HA ALA A 91 0.207 2.041 -0.616 1.00 62.15 H new ATOM 0 HB1 ALA A 91 -1.283 0.478 0.611 1.00 40.41 H new ATOM 0 HB2 ALA A 91 -2.209 1.658 -0.346 1.00 40.41 H new ATOM 0 HB3 ALA A 91 -2.021 -0.012 -0.932 1.00 40.41 H new ATOM 1411 N MET A 92 0.550 -0.830 -2.143 1.00 44.42 N ATOM 1412 CA MET A 92 1.380 -2.024 -2.281 1.00 21.25 C ATOM 1413 C MET A 92 2.860 -1.655 -2.295 1.00 4.02 C ATOM 1414 O MET A 92 3.679 -2.296 -1.630 1.00 23.10 O ATOM 1415 CB MET A 92 1.000 -2.768 -3.570 1.00 34.41 C ATOM 1416 CG MET A 92 1.673 -4.127 -3.748 1.00 23.11 C ATOM 1417 SD MET A 92 3.391 -4.023 -4.300 1.00 51.33 S ATOM 1418 CE MET A 92 3.198 -3.191 -5.876 1.00 60.42 C ATOM 0 H MET A 92 -0.151 -0.724 -2.876 1.00 44.42 H new ATOM 0 HA MET A 92 1.205 -2.676 -1.426 1.00 21.25 H new ATOM 0 HB2 MET A 92 -0.081 -2.909 -3.586 1.00 34.41 H new ATOM 0 HB3 MET A 92 1.252 -2.139 -4.424 1.00 34.41 H new ATOM 0 HG2 MET A 92 1.637 -4.667 -2.802 1.00 23.11 H new ATOM 0 HG3 MET A 92 1.104 -4.712 -4.470 1.00 23.11 H new ATOM 0 HE1 MET A 92 4.049 -3.423 -6.516 1.00 60.42 H new ATOM 0 HE2 MET A 92 2.280 -3.529 -6.356 1.00 60.42 H new ATOM 0 HE3 MET A 92 3.148 -2.114 -5.715 1.00 60.42 H new ATOM 1428 N LYS A 93 3.190 -0.601 -3.029 1.00 35.22 N ATOM 1429 CA LYS A 93 4.573 -0.192 -3.192 1.00 22.42 C ATOM 1430 C LYS A 93 5.168 0.273 -1.870 1.00 70.01 C ATOM 1431 O LYS A 93 6.309 -0.052 -1.549 1.00 14.34 O ATOM 1432 CB LYS A 93 4.688 0.931 -4.226 1.00 33.04 C ATOM 1433 CG LYS A 93 6.127 1.323 -4.523 1.00 43.14 C ATOM 1434 CD LYS A 93 6.869 0.186 -5.200 1.00 52.44 C ATOM 1435 CE LYS A 93 8.376 0.351 -5.092 1.00 31.34 C ATOM 1436 NZ LYS A 93 9.093 -0.664 -5.902 1.00 34.34 N ATOM 0 H LYS A 93 2.516 -0.015 -3.521 1.00 35.22 H new ATOM 0 HA LYS A 93 5.131 -1.060 -3.542 1.00 22.42 H new ATOM 0 HB2 LYS A 93 4.205 0.616 -5.151 1.00 33.04 H new ATOM 0 HB3 LYS A 93 4.146 1.806 -3.866 1.00 33.04 H new ATOM 0 HG2 LYS A 93 6.143 2.205 -5.163 1.00 43.14 H new ATOM 0 HG3 LYS A 93 6.634 1.592 -3.596 1.00 43.14 H new ATOM 0 HD2 LYS A 93 6.574 -0.761 -4.748 1.00 52.44 H new ATOM 0 HD3 LYS A 93 6.583 0.140 -6.251 1.00 52.44 H new ATOM 0 HE2 LYS A 93 8.659 1.350 -5.425 1.00 31.34 H new ATOM 0 HE3 LYS A 93 8.679 0.265 -4.048 1.00 31.34 H new ATOM 0 HZ1 LYS A 93 9.962 -0.952 -5.408 1.00 34.34 H new ATOM 0 HZ2 LYS A 93 8.481 -1.494 -6.039 1.00 34.34 H new ATOM 0 HZ3 LYS A 93 9.339 -0.259 -6.828 1.00 34.34 H new ATOM 1450 N LEU A 94 4.387 1.022 -1.100 1.00 50.44 N ATOM 1451 CA LEU A 94 4.876 1.613 0.140 1.00 15.31 C ATOM 1452 C LEU A 94 5.240 0.552 1.166 1.00 14.42 C ATOM 1453 O LEU A 94 6.173 0.734 1.950 1.00 10.52 O ATOM 1454 CB LEU A 94 3.841 2.558 0.738 1.00 51.11 C ATOM 1455 CG LEU A 94 4.306 4.003 0.859 1.00 64.32 C ATOM 1456 CD1 LEU A 94 4.526 4.618 -0.515 1.00 10.31 C ATOM 1457 CD2 LEU A 94 3.300 4.814 1.652 1.00 10.05 C ATOM 0 H LEU A 94 3.412 1.234 -1.313 1.00 50.44 H new ATOM 0 HA LEU A 94 5.776 2.174 -0.112 1.00 15.31 H new ATOM 0 HB2 LEU A 94 2.941 2.529 0.123 1.00 51.11 H new ATOM 0 HB3 LEU A 94 3.563 2.194 1.727 1.00 51.11 H new ATOM 0 HG LEU A 94 5.258 4.014 1.390 1.00 64.32 H new ATOM 0 HD11 LEU A 94 4.858 5.650 -0.403 1.00 10.31 H new ATOM 0 HD12 LEU A 94 5.286 4.049 -1.051 1.00 10.31 H new ATOM 0 HD13 LEU A 94 3.592 4.596 -1.077 1.00 10.31 H new ATOM 0 HD21 LEU A 94 3.645 5.845 1.731 1.00 10.05 H new ATOM 0 HD22 LEU A 94 2.335 4.792 1.146 1.00 10.05 H new ATOM 0 HD23 LEU A 94 3.196 4.389 2.650 1.00 10.05 H new ATOM 1469 N ILE A 95 4.504 -0.549 1.161 1.00 53.21 N ATOM 1470 CA ILE A 95 4.765 -1.641 2.086 1.00 62.34 C ATOM 1471 C ILE A 95 6.123 -2.262 1.784 1.00 25.54 C ATOM 1472 O ILE A 95 6.966 -2.411 2.669 1.00 3.13 O ATOM 1473 CB ILE A 95 3.676 -2.732 1.997 1.00 75.43 C ATOM 1474 CG1 ILE A 95 2.288 -2.118 2.189 1.00 44.22 C ATOM 1475 CG2 ILE A 95 3.921 -3.818 3.037 1.00 10.33 C ATOM 1476 CD1 ILE A 95 1.159 -3.105 1.996 1.00 5.11 C ATOM 0 H ILE A 95 3.721 -0.710 0.527 1.00 53.21 H new ATOM 0 HA ILE A 95 4.757 -1.230 3.095 1.00 62.34 H new ATOM 0 HB ILE A 95 3.723 -3.184 1.006 1.00 75.43 H new ATOM 0 HG12 ILE A 95 2.222 -1.695 3.191 1.00 44.22 H new ATOM 0 HG13 ILE A 95 2.164 -1.294 1.486 1.00 44.22 H new ATOM 0 HG21 ILE A 95 3.144 -4.578 2.959 1.00 10.33 H new ATOM 0 HG22 ILE A 95 4.895 -4.276 2.863 1.00 10.33 H new ATOM 0 HG23 ILE A 95 3.900 -3.378 4.034 1.00 10.33 H new ATOM 0 HD11 ILE A 95 0.205 -2.600 2.147 1.00 5.11 H new ATOM 0 HD12 ILE A 95 1.199 -3.510 0.985 1.00 5.11 H new ATOM 0 HD13 ILE A 95 1.258 -3.917 2.716 1.00 5.11 H new ATOM 1488 N LYS A 96 6.332 -2.587 0.514 1.00 2.45 N ATOM 1489 CA LYS A 96 7.574 -3.174 0.060 1.00 10.20 C ATOM 1490 C LYS A 96 8.718 -2.186 0.240 1.00 65.13 C ATOM 1491 O LYS A 96 9.819 -2.555 0.642 1.00 31.54 O ATOM 1492 CB LYS A 96 7.434 -3.558 -1.410 1.00 5.05 C ATOM 1493 CG LYS A 96 6.737 -4.890 -1.627 1.00 53.05 C ATOM 1494 CD LYS A 96 7.497 -6.036 -0.986 1.00 30.33 C ATOM 1495 CE LYS A 96 6.761 -7.352 -1.167 1.00 41.32 C ATOM 1496 NZ LYS A 96 7.520 -8.495 -0.599 1.00 1.10 N ATOM 0 H LYS A 96 5.642 -2.449 -0.225 1.00 2.45 H new ATOM 0 HA LYS A 96 7.794 -4.064 0.649 1.00 10.20 H new ATOM 0 HB2 LYS A 96 6.878 -2.778 -1.929 1.00 5.05 H new ATOM 0 HB3 LYS A 96 8.425 -3.598 -1.862 1.00 5.05 H new ATOM 0 HG2 LYS A 96 5.730 -4.845 -1.212 1.00 53.05 H new ATOM 0 HG3 LYS A 96 6.633 -5.076 -2.696 1.00 53.05 H new ATOM 0 HD2 LYS A 96 8.491 -6.109 -1.427 1.00 30.33 H new ATOM 0 HD3 LYS A 96 7.634 -5.836 0.077 1.00 30.33 H new ATOM 0 HE2 LYS A 96 5.784 -7.291 -0.687 1.00 41.32 H new ATOM 0 HE3 LYS A 96 6.584 -7.526 -2.228 1.00 41.32 H new ATOM 0 HZ1 LYS A 96 6.983 -9.374 -0.743 1.00 1.10 H new ATOM 0 HZ2 LYS A 96 8.442 -8.570 -1.074 1.00 1.10 H new ATOM 0 HZ3 LYS A 96 7.667 -8.342 0.419 1.00 1.10 H new ATOM 1510 N LEU A 97 8.425 -0.927 -0.056 1.00 10.24 N ATOM 1511 CA LEU A 97 9.387 0.162 0.075 1.00 70.03 C ATOM 1512 C LEU A 97 9.924 0.249 1.499 1.00 65.13 C ATOM 1513 O LEU A 97 11.135 0.281 1.720 1.00 31.31 O ATOM 1514 CB LEU A 97 8.719 1.487 -0.295 1.00 30.41 C ATOM 1515 CG LEU A 97 9.631 2.711 -0.286 1.00 74.42 C ATOM 1516 CD1 LEU A 97 10.470 2.761 -1.554 1.00 14.35 C ATOM 1517 CD2 LEU A 97 8.804 3.976 -0.126 1.00 61.23 C ATOM 0 H LEU A 97 7.510 -0.630 -0.395 1.00 10.24 H new ATOM 0 HA LEU A 97 10.220 -0.036 -0.600 1.00 70.03 H new ATOM 0 HB2 LEU A 97 8.283 1.388 -1.289 1.00 30.41 H new ATOM 0 HB3 LEU A 97 7.896 1.664 0.398 1.00 30.41 H new ATOM 0 HG LEU A 97 10.312 2.638 0.562 1.00 74.42 H new ATOM 0 HD11 LEU A 97 11.114 3.640 -1.530 1.00 14.35 H new ATOM 0 HD12 LEU A 97 11.084 1.863 -1.619 1.00 14.35 H new ATOM 0 HD13 LEU A 97 9.814 2.816 -2.423 1.00 14.35 H new ATOM 0 HD21 LEU A 97 9.464 4.844 -0.121 1.00 61.23 H new ATOM 0 HD22 LEU A 97 8.102 4.059 -0.956 1.00 61.23 H new ATOM 0 HD23 LEU A 97 8.253 3.934 0.813 1.00 61.23 H new ATOM 1529 N LYS A 98 9.016 0.275 2.466 1.00 61.30 N ATOM 1530 CA LYS A 98 9.403 0.396 3.863 1.00 0.30 C ATOM 1531 C LYS A 98 10.112 -0.864 4.350 1.00 52.53 C ATOM 1532 O LYS A 98 10.969 -0.800 5.234 1.00 53.23 O ATOM 1533 CB LYS A 98 8.195 0.712 4.732 1.00 11.02 C ATOM 1534 CG LYS A 98 7.729 2.145 4.563 1.00 71.12 C ATOM 1535 CD LYS A 98 6.816 2.562 5.693 1.00 31.44 C ATOM 1536 CE LYS A 98 6.659 4.067 5.758 1.00 15.01 C ATOM 1537 NZ LYS A 98 5.796 4.594 4.662 1.00 23.51 N ATOM 0 H LYS A 98 8.010 0.214 2.308 1.00 61.30 H new ATOM 0 HA LYS A 98 10.106 1.225 3.946 1.00 0.30 H new ATOM 0 HB2 LYS A 98 7.380 0.034 4.479 1.00 11.02 H new ATOM 0 HB3 LYS A 98 8.445 0.534 5.778 1.00 11.02 H new ATOM 0 HG2 LYS A 98 8.593 2.809 4.527 1.00 71.12 H new ATOM 0 HG3 LYS A 98 7.206 2.250 3.612 1.00 71.12 H new ATOM 0 HD2 LYS A 98 5.838 2.099 5.561 1.00 31.44 H new ATOM 0 HD3 LYS A 98 7.216 2.196 6.639 1.00 31.44 H new ATOM 0 HE2 LYS A 98 6.229 4.344 6.721 1.00 15.01 H new ATOM 0 HE3 LYS A 98 7.642 4.535 5.701 1.00 15.01 H new ATOM 0 HZ1 LYS A 98 5.537 5.580 4.868 1.00 23.51 H new ATOM 0 HZ2 LYS A 98 6.315 4.553 3.761 1.00 23.51 H new ATOM 0 HZ3 LYS A 98 4.933 4.017 4.592 1.00 23.51 H new ATOM 1551 N LEU A 99 9.773 -1.998 3.752 1.00 35.43 N ATOM 1552 CA LEU A 99 10.420 -3.264 4.079 1.00 34.43 C ATOM 1553 C LEU A 99 11.803 -3.358 3.432 1.00 41.41 C ATOM 1554 O LEU A 99 12.602 -4.227 3.780 1.00 35.20 O ATOM 1555 CB LEU A 99 9.540 -4.442 3.646 1.00 13.20 C ATOM 1556 CG LEU A 99 8.330 -4.712 4.544 1.00 20.44 C ATOM 1557 CD1 LEU A 99 7.421 -5.756 3.913 1.00 14.33 C ATOM 1558 CD2 LEU A 99 8.784 -5.169 5.921 1.00 32.10 C ATOM 0 H LEU A 99 9.051 -2.068 3.035 1.00 35.43 H new ATOM 0 HA LEU A 99 10.552 -3.308 5.160 1.00 34.43 H new ATOM 0 HB2 LEU A 99 9.186 -4.258 2.632 1.00 13.20 H new ATOM 0 HB3 LEU A 99 10.155 -5.341 3.611 1.00 13.20 H new ATOM 0 HG LEU A 99 7.768 -3.785 4.653 1.00 20.44 H new ATOM 0 HD11 LEU A 99 6.566 -5.936 4.565 1.00 14.33 H new ATOM 0 HD12 LEU A 99 7.071 -5.396 2.946 1.00 14.33 H new ATOM 0 HD13 LEU A 99 7.974 -6.685 3.776 1.00 14.33 H new ATOM 0 HD21 LEU A 99 7.912 -5.357 6.548 1.00 32.10 H new ATOM 0 HD22 LEU A 99 9.367 -6.085 5.826 1.00 32.10 H new ATOM 0 HD23 LEU A 99 9.399 -4.393 6.378 1.00 32.10 H new ATOM 1570 N GLN A 100 12.079 -2.468 2.484 1.00 15.34 N ATOM 1571 CA GLN A 100 13.395 -2.401 1.859 1.00 54.41 C ATOM 1572 C GLN A 100 14.313 -1.473 2.643 1.00 13.05 C ATOM 1573 O GLN A 100 15.536 -1.604 2.594 1.00 13.33 O ATOM 1574 CB GLN A 100 13.292 -1.920 0.409 1.00 22.22 C ATOM 1575 CG GLN A 100 12.664 -2.932 -0.535 1.00 71.52 C ATOM 1576 CD GLN A 100 13.411 -4.250 -0.562 1.00 53.15 C ATOM 1577 OE1 GLN A 100 14.360 -4.422 -1.326 1.00 64.11 O ATOM 1578 NE2 GLN A 100 12.982 -5.193 0.262 1.00 21.41 N ATOM 0 H GLN A 100 11.409 -1.784 2.132 1.00 15.34 H new ATOM 0 HA GLN A 100 13.815 -3.407 1.863 1.00 54.41 H new ATOM 0 HB2 GLN A 100 12.706 -1.001 0.383 1.00 22.22 H new ATOM 0 HB3 GLN A 100 14.290 -1.672 0.048 1.00 22.22 H new ATOM 0 HG2 GLN A 100 11.632 -3.111 -0.235 1.00 71.52 H new ATOM 0 HG3 GLN A 100 12.636 -2.515 -1.542 1.00 71.52 H new ATOM 0 HE21 GLN A 100 12.191 -5.009 0.880 1.00 21.41 H new ATOM 0 HE22 GLN A 100 13.442 -6.103 0.279 1.00 21.41 H new ATOM 1587 N GLY A 101 13.719 -0.536 3.368 1.00 32.01 N ATOM 1588 CA GLY A 101 14.500 0.377 4.179 1.00 30.02 C ATOM 1589 C GLY A 101 14.474 1.795 3.648 1.00 33.35 C ATOM 1590 O GLY A 101 15.521 2.374 3.349 1.00 11.20 O ATOM 0 H GLY A 101 12.710 -0.391 3.409 1.00 32.01 H new ATOM 0 HA2 GLY A 101 14.118 0.368 5.200 1.00 30.02 H new ATOM 0 HA3 GLY A 101 15.532 0.028 4.222 1.00 30.02 H new ATOM 1594 N TYR A 102 13.276 2.353 3.521 1.00 60.03 N ATOM 1595 CA TYR A 102 13.108 3.722 3.052 1.00 4.22 C ATOM 1596 C TYR A 102 12.127 4.465 3.952 1.00 54.12 C ATOM 1597 O TYR A 102 11.429 3.854 4.766 1.00 40.35 O ATOM 1598 CB TYR A 102 12.595 3.746 1.610 1.00 71.35 C ATOM 1599 CG TYR A 102 13.568 3.193 0.592 1.00 73.15 C ATOM 1600 CD1 TYR A 102 14.596 3.976 0.085 1.00 3.32 C ATOM 1601 CD2 TYR A 102 13.447 1.889 0.128 1.00 73.35 C ATOM 1602 CE1 TYR A 102 15.474 3.476 -0.856 1.00 32.50 C ATOM 1603 CE2 TYR A 102 14.322 1.383 -0.810 1.00 44.24 C ATOM 1604 CZ TYR A 102 15.333 2.180 -1.298 1.00 22.24 C ATOM 1605 OH TYR A 102 16.201 1.681 -2.240 1.00 42.32 O ATOM 0 H TYR A 102 12.402 1.874 3.738 1.00 60.03 H new ATOM 0 HA TYR A 102 14.080 4.214 3.086 1.00 4.22 H new ATOM 0 HB2 TYR A 102 11.668 3.174 1.557 1.00 71.35 H new ATOM 0 HB3 TYR A 102 12.351 4.774 1.341 1.00 71.35 H new ATOM 0 HD1 TYR A 102 14.711 4.992 0.432 1.00 3.32 H new ATOM 0 HD2 TYR A 102 12.655 1.261 0.508 1.00 73.35 H new ATOM 0 HE1 TYR A 102 16.267 4.098 -1.243 1.00 32.50 H new ATOM 0 HE2 TYR A 102 14.215 0.367 -1.160 1.00 44.24 H new ATOM 0 HH TYR A 102 15.965 0.752 -2.443 1.00 42.32 H new ATOM 1615 N GLN A 103 12.069 5.780 3.801 1.00 34.13 N ATOM 1616 CA GLN A 103 11.149 6.596 4.579 1.00 73.12 C ATOM 1617 C GLN A 103 10.388 7.549 3.664 1.00 33.32 C ATOM 1618 O GLN A 103 10.772 7.746 2.511 1.00 5.14 O ATOM 1619 CB GLN A 103 11.905 7.388 5.646 1.00 1.22 C ATOM 1620 CG GLN A 103 12.856 8.425 5.074 1.00 23.03 C ATOM 1621 CD GLN A 103 13.477 9.293 6.145 1.00 2.14 C ATOM 1622 OE1 GLN A 103 12.919 10.324 6.521 1.00 71.22 O ATOM 1623 NE2 GLN A 103 14.635 8.894 6.641 1.00 3.15 N ATOM 0 H GLN A 103 12.649 6.305 3.146 1.00 34.13 H new ATOM 0 HA GLN A 103 10.437 5.936 5.074 1.00 73.12 H new ATOM 0 HB2 GLN A 103 11.185 7.886 6.295 1.00 1.22 H new ATOM 0 HB3 GLN A 103 12.469 6.695 6.270 1.00 1.22 H new ATOM 0 HG2 GLN A 103 13.645 7.921 4.516 1.00 23.03 H new ATOM 0 HG3 GLN A 103 12.318 9.056 4.366 1.00 23.03 H new ATOM 0 HE21 GLN A 103 15.065 8.033 6.303 1.00 3.15 H new ATOM 0 HE22 GLN A 103 15.099 9.447 7.362 1.00 3.15 H new ATOM 1632 N LEU A 104 9.315 8.139 4.181 1.00 42.21 N ATOM 1633 CA LEU A 104 8.499 9.061 3.403 1.00 41.30 C ATOM 1634 C LEU A 104 7.522 9.790 4.326 1.00 65.11 C ATOM 1635 O LEU A 104 7.015 9.199 5.279 1.00 1.43 O ATOM 1636 CB LEU A 104 7.731 8.281 2.324 1.00 74.40 C ATOM 1637 CG LEU A 104 7.046 9.123 1.250 1.00 4.54 C ATOM 1638 CD1 LEU A 104 8.070 9.885 0.425 1.00 72.55 C ATOM 1639 CD2 LEU A 104 6.200 8.238 0.354 1.00 72.03 C ATOM 0 H LEU A 104 8.991 7.994 5.137 1.00 42.21 H new ATOM 0 HA LEU A 104 9.141 9.797 2.919 1.00 41.30 H new ATOM 0 HB2 LEU A 104 8.425 7.598 1.834 1.00 74.40 H new ATOM 0 HB3 LEU A 104 6.975 7.669 2.815 1.00 74.40 H new ATOM 0 HG LEU A 104 6.399 9.849 1.743 1.00 4.54 H new ATOM 0 HD11 LEU A 104 7.558 10.477 -0.333 1.00 72.55 H new ATOM 0 HD12 LEU A 104 8.643 10.545 1.076 1.00 72.55 H new ATOM 0 HD13 LEU A 104 8.744 9.179 -0.060 1.00 72.55 H new ATOM 0 HD21 LEU A 104 5.716 8.849 -0.408 1.00 72.03 H new ATOM 0 HD22 LEU A 104 6.835 7.494 -0.126 1.00 72.03 H new ATOM 0 HD23 LEU A 104 5.440 7.735 0.952 1.00 72.03 H new ATOM 1651 N PRO A 105 7.272 11.084 4.076 1.00 50.11 N ATOM 1652 CA PRO A 105 6.295 11.872 4.818 1.00 33.40 C ATOM 1653 C PRO A 105 4.897 11.772 4.219 1.00 1.40 C ATOM 1654 O PRO A 105 4.620 10.888 3.413 1.00 43.21 O ATOM 1655 CB PRO A 105 6.831 13.309 4.705 1.00 42.15 C ATOM 1656 CG PRO A 105 8.003 13.251 3.769 1.00 61.34 C ATOM 1657 CD PRO A 105 7.955 11.913 3.089 1.00 43.24 C ATOM 0 HA PRO A 105 6.188 11.526 5.846 1.00 33.40 H new ATOM 0 HB2 PRO A 105 6.062 13.981 4.324 1.00 42.15 H new ATOM 0 HB3 PRO A 105 7.132 13.689 5.681 1.00 42.15 H new ATOM 0 HG2 PRO A 105 7.953 14.058 3.037 1.00 61.34 H new ATOM 0 HG3 PRO A 105 8.939 13.373 4.314 1.00 61.34 H new ATOM 0 HD2 PRO A 105 7.409 11.956 2.147 1.00 43.24 H new ATOM 0 HD3 PRO A 105 8.953 11.536 2.863 1.00 43.24 H new ATOM 1665 N SER A 106 4.025 12.695 4.605 1.00 71.13 N ATOM 1666 CA SER A 106 2.627 12.666 4.196 1.00 74.24 C ATOM 1667 C SER A 106 2.449 13.123 2.750 1.00 73.54 C ATOM 1668 O SER A 106 1.324 13.270 2.267 1.00 23.40 O ATOM 1669 CB SER A 106 1.807 13.564 5.110 1.00 4.40 C ATOM 1670 OG SER A 106 2.014 13.232 6.474 1.00 43.34 O ATOM 0 H SER A 106 4.266 13.482 5.208 1.00 71.13 H new ATOM 0 HA SER A 106 2.282 11.635 4.270 1.00 74.24 H new ATOM 0 HB2 SER A 106 2.079 14.606 4.941 1.00 4.40 H new ATOM 0 HB3 SER A 106 0.749 13.468 4.866 1.00 4.40 H new ATOM 0 HG SER A 106 1.477 13.825 7.040 1.00 43.34 H new ATOM 1676 N ALA A 107 3.554 13.348 2.069 1.00 1.33 N ATOM 1677 CA ALA A 107 3.515 13.778 0.680 1.00 42.32 C ATOM 1678 C ALA A 107 4.026 12.682 -0.250 1.00 50.14 C ATOM 1679 O ALA A 107 5.184 12.268 -0.159 1.00 2.40 O ATOM 1680 CB ALA A 107 4.321 15.053 0.495 1.00 54.33 C ATOM 0 H ALA A 107 4.493 13.241 2.453 1.00 1.33 H new ATOM 0 HA ALA A 107 2.476 13.982 0.420 1.00 42.32 H new ATOM 0 HB1 ALA A 107 4.281 15.360 -0.550 1.00 54.33 H new ATOM 0 HB2 ALA A 107 3.904 15.841 1.121 1.00 54.33 H new ATOM 0 HB3 ALA A 107 5.357 14.873 0.781 1.00 54.33 H new ATOM 1686 N LEU A 108 3.156 12.215 -1.137 1.00 23.32 N ATOM 1687 CA LEU A 108 3.524 11.206 -2.121 1.00 63.25 C ATOM 1688 C LEU A 108 4.017 11.871 -3.399 1.00 43.34 C ATOM 1689 O LEU A 108 3.513 12.927 -3.786 1.00 13.23 O ATOM 1690 CB LEU A 108 2.328 10.307 -2.444 1.00 15.43 C ATOM 1691 CG LEU A 108 1.922 9.328 -1.342 1.00 1.22 C ATOM 1692 CD1 LEU A 108 0.629 8.625 -1.707 1.00 51.53 C ATOM 1693 CD2 LEU A 108 3.020 8.306 -1.104 1.00 42.01 C ATOM 0 H LEU A 108 2.185 12.522 -1.194 1.00 23.32 H new ATOM 0 HA LEU A 108 4.323 10.596 -1.699 1.00 63.25 H new ATOM 0 HB2 LEU A 108 1.472 10.941 -2.676 1.00 15.43 H new ATOM 0 HB3 LEU A 108 2.557 9.738 -3.345 1.00 15.43 H new ATOM 0 HG LEU A 108 1.767 9.894 -0.424 1.00 1.22 H new ATOM 0 HD11 LEU A 108 0.355 7.932 -0.912 1.00 51.53 H new ATOM 0 HD12 LEU A 108 -0.163 9.363 -1.834 1.00 51.53 H new ATOM 0 HD13 LEU A 108 0.765 8.074 -2.638 1.00 51.53 H new ATOM 0 HD21 LEU A 108 2.712 7.618 -0.316 1.00 42.01 H new ATOM 0 HD22 LEU A 108 3.203 7.748 -2.022 1.00 42.01 H new ATOM 0 HD23 LEU A 108 3.934 8.818 -0.802 1.00 42.01 H new ATOM 1705 N PRO A 109 5.006 11.271 -4.075 1.00 54.02 N ATOM 1706 CA PRO A 109 5.514 11.805 -5.337 1.00 72.13 C ATOM 1707 C PRO A 109 4.476 11.701 -6.457 1.00 40.51 C ATOM 1708 O PRO A 109 3.636 10.795 -6.459 1.00 21.22 O ATOM 1709 CB PRO A 109 6.727 10.920 -5.639 1.00 73.45 C ATOM 1710 CG PRO A 109 6.478 9.655 -4.893 1.00 25.31 C ATOM 1711 CD PRO A 109 5.716 10.046 -3.659 1.00 74.43 C ATOM 0 HA PRO A 109 5.759 12.865 -5.268 1.00 72.13 H new ATOM 0 HB2 PRO A 109 6.823 10.735 -6.709 1.00 73.45 H new ATOM 0 HB3 PRO A 109 7.653 11.395 -5.313 1.00 73.45 H new ATOM 0 HG2 PRO A 109 5.906 8.951 -5.498 1.00 25.31 H new ATOM 0 HG3 PRO A 109 7.416 9.164 -4.633 1.00 25.31 H new ATOM 0 HD2 PRO A 109 5.022 9.264 -3.349 1.00 74.43 H new ATOM 0 HD3 PRO A 109 6.382 10.233 -2.817 1.00 74.43 H new ATOM 1719 N PRO A 110 4.546 12.607 -7.446 1.00 74.25 N ATOM 1720 CA PRO A 110 3.578 12.671 -8.548 1.00 32.30 C ATOM 1721 C PRO A 110 3.710 11.507 -9.526 1.00 11.21 C ATOM 1722 O PRO A 110 2.899 11.351 -10.436 1.00 64.31 O ATOM 1723 CB PRO A 110 3.917 13.990 -9.259 1.00 54.14 C ATOM 1724 CG PRO A 110 4.827 14.724 -8.333 1.00 12.51 C ATOM 1725 CD PRO A 110 5.559 13.668 -7.564 1.00 40.31 C ATOM 0 HA PRO A 110 2.555 12.616 -8.174 1.00 32.30 H new ATOM 0 HB2 PRO A 110 4.400 13.805 -10.218 1.00 54.14 H new ATOM 0 HB3 PRO A 110 3.016 14.568 -9.463 1.00 54.14 H new ATOM 0 HG2 PRO A 110 5.521 15.358 -8.886 1.00 12.51 H new ATOM 0 HG3 PRO A 110 4.264 15.375 -7.665 1.00 12.51 H new ATOM 0 HD2 PRO A 110 6.449 13.324 -8.091 1.00 40.31 H new ATOM 0 HD3 PRO A 110 5.886 14.028 -6.589 1.00 40.31 H new ATOM 1733 N VAL A 111 4.743 10.700 -9.340 1.00 11.53 N ATOM 1734 CA VAL A 111 4.997 9.563 -10.217 1.00 52.12 C ATOM 1735 C VAL A 111 4.157 8.353 -9.812 1.00 44.34 C ATOM 1736 O VAL A 111 3.617 7.648 -10.664 1.00 24.41 O ATOM 1737 CB VAL A 111 6.492 9.173 -10.208 1.00 14.21 C ATOM 1738 CG1 VAL A 111 6.773 8.061 -11.208 1.00 44.14 C ATOM 1739 CG2 VAL A 111 7.364 10.387 -10.497 1.00 65.40 C ATOM 0 H VAL A 111 5.422 10.810 -8.587 1.00 11.53 H new ATOM 0 HA VAL A 111 4.716 9.869 -11.225 1.00 52.12 H new ATOM 0 HB VAL A 111 6.737 8.801 -9.213 1.00 14.21 H new ATOM 0 HG11 VAL A 111 7.832 7.806 -11.181 1.00 44.14 H new ATOM 0 HG12 VAL A 111 6.182 7.182 -10.951 1.00 44.14 H new ATOM 0 HG13 VAL A 111 6.506 8.397 -12.210 1.00 44.14 H new ATOM 0 HG21 VAL A 111 8.413 10.092 -10.486 1.00 65.40 H new ATOM 0 HG22 VAL A 111 7.111 10.792 -11.477 1.00 65.40 H new ATOM 0 HG23 VAL A 111 7.193 11.147 -9.735 1.00 65.40 H new ATOM 1749 N MET A 112 4.026 8.132 -8.508 1.00 24.11 N ATOM 1750 CA MET A 112 3.278 6.985 -8.002 1.00 3.34 C ATOM 1751 C MET A 112 1.782 7.188 -8.199 1.00 20.05 C ATOM 1752 O MET A 112 1.043 6.245 -8.472 1.00 1.13 O ATOM 1753 CB MET A 112 3.563 6.757 -6.517 1.00 53.55 C ATOM 1754 CG MET A 112 5.022 6.495 -6.192 1.00 21.03 C ATOM 1755 SD MET A 112 5.265 6.072 -4.459 1.00 12.52 S ATOM 1756 CE MET A 112 4.390 4.512 -4.377 1.00 2.34 C ATOM 0 H MET A 112 4.426 8.729 -7.784 1.00 24.11 H new ATOM 0 HA MET A 112 3.601 6.109 -8.565 1.00 3.34 H new ATOM 0 HB2 MET A 112 3.230 7.631 -5.957 1.00 53.55 H new ATOM 0 HB3 MET A 112 2.969 5.911 -6.171 1.00 53.55 H new ATOM 0 HG2 MET A 112 5.392 5.683 -6.818 1.00 21.03 H new ATOM 0 HG3 MET A 112 5.611 7.379 -6.435 1.00 21.03 H new ATOM 0 HE1 MET A 112 3.462 4.644 -3.821 1.00 2.34 H new ATOM 0 HE2 MET A 112 4.163 4.169 -5.386 1.00 2.34 H new ATOM 0 HE3 MET A 112 5.012 3.772 -3.873 1.00 2.34 H new ATOM 1766 N LYS A 113 1.349 8.427 -8.059 1.00 20.24 N ATOM 1767 CA LYS A 113 -0.056 8.766 -8.201 1.00 63.13 C ATOM 1768 C LYS A 113 -0.359 9.108 -9.655 1.00 41.11 C ATOM 1769 O LYS A 113 -1.522 9.246 -10.040 1.00 21.55 O ATOM 1770 CB LYS A 113 -0.401 9.939 -7.278 1.00 12.14 C ATOM 1771 CG LYS A 113 0.409 11.195 -7.560 1.00 64.40 C ATOM 1772 CD LYS A 113 0.302 12.222 -6.437 1.00 21.52 C ATOM 1773 CE LYS A 113 -1.086 12.847 -6.327 1.00 63.23 C ATOM 1774 NZ LYS A 113 -2.060 11.960 -5.635 1.00 31.55 N ATOM 0 H LYS A 113 1.954 9.220 -7.846 1.00 20.24 H new ATOM 0 HA LYS A 113 -0.669 7.912 -7.915 1.00 63.13 H new ATOM 0 HB2 LYS A 113 -1.461 10.170 -7.379 1.00 12.14 H new ATOM 0 HB3 LYS A 113 -0.238 9.636 -6.244 1.00 12.14 H new ATOM 0 HG2 LYS A 113 1.455 10.925 -7.703 1.00 64.40 H new ATOM 0 HG3 LYS A 113 0.066 11.643 -8.492 1.00 64.40 H new ATOM 0 HD2 LYS A 113 0.555 11.744 -5.491 1.00 21.52 H new ATOM 0 HD3 LYS A 113 1.037 13.010 -6.602 1.00 21.52 H new ATOM 0 HE2 LYS A 113 -1.013 13.791 -5.788 1.00 63.23 H new ATOM 0 HE3 LYS A 113 -1.457 13.078 -7.326 1.00 63.23 H new ATOM 0 HZ1 LYS A 113 -2.739 11.583 -6.327 1.00 31.55 H new ATOM 0 HZ2 LYS A 113 -1.552 11.172 -5.184 1.00 31.55 H new ATOM 0 HZ3 LYS A 113 -2.570 12.504 -4.910 1.00 31.55 H new ATOM 1788 N GLN A 114 0.711 9.231 -10.445 1.00 44.21 N ATOM 1789 CA GLN A 114 0.629 9.570 -11.865 1.00 60.52 C ATOM 1790 C GLN A 114 0.093 10.986 -12.079 1.00 2.40 C ATOM 1791 O GLN A 114 -0.508 11.588 -11.184 1.00 4.44 O ATOM 1792 CB GLN A 114 -0.223 8.552 -12.623 1.00 54.41 C ATOM 1793 CG GLN A 114 0.352 7.143 -12.601 1.00 10.32 C ATOM 1794 CD GLN A 114 -0.488 6.151 -13.391 1.00 5.33 C ATOM 1795 OE1 GLN A 114 0.034 5.205 -13.984 1.00 4.24 O ATOM 1796 NE2 GLN A 114 -1.800 6.338 -13.381 1.00 12.50 N ATOM 0 H GLN A 114 1.666 9.097 -10.112 1.00 44.21 H new ATOM 0 HA GLN A 114 1.643 9.536 -12.264 1.00 60.52 H new ATOM 0 HB2 GLN A 114 -1.224 8.534 -12.191 1.00 54.41 H new ATOM 0 HB3 GLN A 114 -0.328 8.877 -13.658 1.00 54.41 H new ATOM 0 HG2 GLN A 114 1.363 7.162 -13.008 1.00 10.32 H new ATOM 0 HG3 GLN A 114 0.431 6.804 -11.568 1.00 10.32 H new ATOM 0 HE21 GLN A 114 -2.198 7.132 -12.880 1.00 12.50 H new ATOM 0 HE22 GLN A 114 -2.412 5.688 -13.875 1.00 12.50 H new ATOM 1805 N GLN A 115 0.336 11.523 -13.263 1.00 70.41 N ATOM 1806 CA GLN A 115 -0.117 12.862 -13.604 1.00 23.03 C ATOM 1807 C GLN A 115 -1.452 12.790 -14.337 1.00 34.23 C ATOM 1808 O GLN A 115 -1.571 12.085 -15.342 1.00 23.35 O ATOM 1809 CB GLN A 115 0.928 13.563 -14.480 1.00 61.32 C ATOM 1810 CG GLN A 115 0.573 14.995 -14.858 1.00 52.53 C ATOM 1811 CD GLN A 115 0.551 15.932 -13.667 1.00 53.42 C ATOM 1812 OE1 GLN A 115 1.272 15.732 -12.688 1.00 20.30 O ATOM 1813 NE2 GLN A 115 -0.270 16.969 -13.744 1.00 22.04 N ATOM 0 H GLN A 115 0.847 11.050 -14.008 1.00 70.41 H new ATOM 0 HA GLN A 115 -0.249 13.435 -12.686 1.00 23.03 H new ATOM 0 HB2 GLN A 115 1.883 13.565 -13.954 1.00 61.32 H new ATOM 0 HB3 GLN A 115 1.068 12.983 -15.392 1.00 61.32 H new ATOM 0 HG2 GLN A 115 1.294 15.362 -15.589 1.00 52.53 H new ATOM 0 HG3 GLN A 115 -0.404 15.006 -15.341 1.00 52.53 H new ATOM 0 HE21 GLN A 115 -0.851 17.099 -14.572 1.00 22.04 H new ATOM 0 HE22 GLN A 115 -0.321 17.637 -12.975 1.00 22.04 H new ATOM 1822 N PRO A 116 -2.481 13.489 -13.830 1.00 21.42 N ATOM 1823 CA PRO A 116 -3.782 13.561 -14.495 1.00 64.15 C ATOM 1824 C PRO A 116 -3.651 14.100 -15.907 1.00 30.20 C ATOM 1825 O PRO A 116 -3.263 15.250 -16.122 1.00 13.04 O ATOM 1826 CB PRO A 116 -4.596 14.519 -13.629 1.00 4.54 C ATOM 1827 CG PRO A 116 -3.926 14.498 -12.304 1.00 3.10 C ATOM 1828 CD PRO A 116 -2.467 14.253 -12.573 1.00 73.02 C ATOM 0 HA PRO A 116 -4.247 12.580 -14.591 1.00 64.15 H new ATOM 0 HB2 PRO A 116 -4.604 15.524 -14.052 1.00 4.54 H new ATOM 0 HB3 PRO A 116 -5.634 14.197 -13.552 1.00 4.54 H new ATOM 0 HG2 PRO A 116 -4.071 15.442 -11.780 1.00 3.10 H new ATOM 0 HG3 PRO A 116 -4.342 13.714 -11.670 1.00 3.10 H new ATOM 0 HD2 PRO A 116 -1.914 15.187 -12.675 1.00 73.02 H new ATOM 0 HD3 PRO A 116 -1.997 13.691 -11.766 1.00 73.02 H new ATOM 1836 N VAL A 117 -3.963 13.254 -16.861 1.00 23.24 N ATOM 1837 CA VAL A 117 -3.801 13.592 -18.264 1.00 21.32 C ATOM 1838 C VAL A 117 -5.061 14.220 -18.834 1.00 50.01 C ATOM 1839 O VAL A 117 -6.181 13.805 -18.527 1.00 62.21 O ATOM 1840 CB VAL A 117 -3.390 12.359 -19.100 1.00 20.44 C ATOM 1841 CG1 VAL A 117 -4.302 11.176 -18.808 1.00 54.53 C ATOM 1842 CG2 VAL A 117 -3.377 12.672 -20.592 1.00 2.44 C ATOM 0 H VAL A 117 -4.334 12.319 -16.693 1.00 23.24 H new ATOM 0 HA VAL A 117 -2.998 14.326 -18.323 1.00 21.32 H new ATOM 0 HB VAL A 117 -2.374 12.091 -18.809 1.00 20.44 H new ATOM 0 HG11 VAL A 117 -3.992 10.321 -19.409 1.00 54.53 H new ATOM 0 HG12 VAL A 117 -4.238 10.919 -17.751 1.00 54.53 H new ATOM 0 HG13 VAL A 117 -5.330 11.440 -19.055 1.00 54.53 H new ATOM 0 HG21 VAL A 117 -3.083 11.782 -21.148 1.00 2.44 H new ATOM 0 HG22 VAL A 117 -4.373 12.985 -20.907 1.00 2.44 H new ATOM 0 HG23 VAL A 117 -2.666 13.474 -20.789 1.00 2.44 H new ATOM 1852 N ALA A 118 -4.853 15.222 -19.663 1.00 1.02 N ATOM 1853 CA ALA A 118 -5.931 15.957 -20.299 1.00 73.42 C ATOM 1854 C ALA A 118 -5.375 16.797 -21.436 1.00 33.15 C ATOM 1855 O ALA A 118 -4.354 17.472 -21.278 1.00 11.33 O ATOM 1856 CB ALA A 118 -6.654 16.836 -19.286 1.00 42.43 C ATOM 0 H ALA A 118 -3.923 15.554 -19.918 1.00 1.02 H new ATOM 0 HA ALA A 118 -6.653 15.247 -20.703 1.00 73.42 H new ATOM 0 HB1 ALA A 118 -7.458 17.378 -19.783 1.00 42.43 H new ATOM 0 HB2 ALA A 118 -7.071 16.212 -18.496 1.00 42.43 H new ATOM 0 HB3 ALA A 118 -5.950 17.547 -18.854 1.00 42.43 H new ATOM 1862 N ILE A 119 -6.021 16.732 -22.585 1.00 50.21 N ATOM 1863 CA ILE A 119 -5.586 17.507 -23.735 1.00 32.32 C ATOM 1864 C ILE A 119 -6.418 18.780 -23.847 1.00 74.41 C ATOM 1865 O ILE A 119 -7.473 18.805 -24.486 1.00 52.31 O ATOM 1866 CB ILE A 119 -5.679 16.697 -25.050 1.00 41.33 C ATOM 1867 CG1 ILE A 119 -4.930 15.362 -24.914 1.00 25.30 C ATOM 1868 CG2 ILE A 119 -5.115 17.500 -26.219 1.00 4.12 C ATOM 1869 CD1 ILE A 119 -3.461 15.511 -24.577 1.00 22.13 C ATOM 0 H ILE A 119 -6.845 16.154 -22.748 1.00 50.21 H new ATOM 0 HA ILE A 119 -4.538 17.764 -23.582 1.00 32.32 H new ATOM 0 HB ILE A 119 -6.731 16.489 -25.248 1.00 41.33 H new ATOM 0 HG12 ILE A 119 -5.411 14.765 -24.140 1.00 25.30 H new ATOM 0 HG13 ILE A 119 -5.024 14.808 -25.848 1.00 25.30 H new ATOM 0 HG21 ILE A 119 -5.190 16.912 -27.134 1.00 4.12 H new ATOM 0 HG22 ILE A 119 -5.683 18.424 -26.333 1.00 4.12 H new ATOM 0 HG23 ILE A 119 -4.069 17.738 -26.026 1.00 4.12 H new ATOM 0 HD11 ILE A 119 -3.004 14.525 -24.498 1.00 22.13 H new ATOM 0 HD12 ILE A 119 -2.963 16.080 -25.362 1.00 22.13 H new ATOM 0 HD13 ILE A 119 -3.357 16.036 -23.627 1.00 22.13 H new ATOM 1881 N SER A 120 -5.954 19.827 -23.188 1.00 40.24 N ATOM 1882 CA SER A 120 -6.655 21.099 -23.178 1.00 45.54 C ATOM 1883 C SER A 120 -5.738 22.212 -23.672 1.00 30.22 C ATOM 1884 O SER A 120 -6.185 23.170 -24.301 1.00 44.32 O ATOM 1885 CB SER A 120 -7.148 21.406 -21.765 1.00 1.14 C ATOM 1886 OG SER A 120 -7.841 20.292 -21.218 1.00 34.31 O ATOM 0 H SER A 120 -5.088 19.821 -22.649 1.00 40.24 H new ATOM 0 HA SER A 120 -7.513 21.037 -23.847 1.00 45.54 H new ATOM 0 HB2 SER A 120 -6.302 21.662 -21.128 1.00 1.14 H new ATOM 0 HB3 SER A 120 -7.806 22.275 -21.785 1.00 1.14 H new ATOM 0 HG SER A 120 -8.147 20.509 -20.313 1.00 34.31 H new ATOM 1892 N SER A 121 -4.451 22.061 -23.408 1.00 24.13 N ATOM 1893 CA SER A 121 -3.472 23.060 -23.789 1.00 50.34 C ATOM 1894 C SER A 121 -2.537 22.484 -24.850 1.00 33.11 C ATOM 1895 O SER A 121 -1.456 21.973 -24.485 1.00 37.36 O ATOM 1896 CB SER A 121 -2.690 23.512 -22.549 1.00 40.35 C ATOM 1897 OG SER A 121 -1.940 24.693 -22.799 1.00 72.30 O ATOM 1898 OXT SER A 121 -2.904 22.521 -26.046 1.00 37.36 O ATOM 0 H SER A 121 -4.060 21.250 -22.928 1.00 24.13 H new ATOM 0 HA SER A 121 -3.975 23.929 -24.213 1.00 50.34 H new ATOM 0 HB2 SER A 121 -3.383 23.689 -21.727 1.00 40.35 H new ATOM 0 HB3 SER A 121 -2.018 22.715 -22.233 1.00 40.35 H new ATOM 0 HG SER A 121 -1.457 24.952 -21.987 1.00 72.30 H new TER 1904 SER A 121