USER MOD reduce.3.24.130724 H: found=0, std=0, add=1155, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1149 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 79 ASN : amide:sc= -2.46 K(o=-2.5,f=-8.6!) USER MOD Set 1.2: A 123 TYR OH : rot 15:sc= -0.0178 USER MOD Set 2.1: A 116 ASN : amide:sc= 1.42 K(o=1.1,f=0.5) USER MOD Set 2.2: A 117 GLN : amide:sc= -0.274 K(o=1.1,f=0.5!) USER MOD Set 3.1: A 115 TYR OH : rot 180:sc= 0.858 USER MOD Set 3.2: A 145 ASN : amide:sc= 0.588 K(o=1.4,f=0.046) USER MOD Set 4.1: A 40 THR OG1 : rot -110:sc= 0.533 USER MOD Set 4.2: A 76 LYS NZ :NH3+ 156:sc= 2.2 (180deg=0.891) USER MOD Set 5.1: A 20 HIS : no HE2:sc= 2.07 K(o=3.2,f=-14!) USER MOD Set 5.2: A 27 LYS NZ :NH3+ -160:sc= 1.11 (180deg=0) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0361) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.215 (180deg=-0.126) USER MOD Single : A 2 GLN : amide:sc= 0.423 K(o=0.42,f=-5.1!) USER MOD Single : A 3 SER OG : rot 47:sc= 0.556 USER MOD Single : A 4 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.11) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 57:sc= 0.07 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 1.29 K(o=1.3,f=-0.19) USER MOD Single : A 16 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.26) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0676 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 1.12 (180deg=0.146) USER MOD Single : A 24 MET CE :methyl 158:sc= 0 (180deg=-0.736) USER MOD Single : A 29 GLN : amide:sc= -0.999 X(o=-1,f=-1.2) USER MOD Single : A 39 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.9!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.807 (180deg=-2.1) USER MOD Single : A 52 THR OG1 : rot -40:sc= 0.452 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 56 THR OG1 : rot -34:sc= 0.887 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -146:sc= 1 (180deg=0.566) USER MOD Single : A 68 THR OG1 : rot 160:sc= 0.563 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.044 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.653 F(o=-3!,f=-0.65) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= 0.831 (180deg=-0.511!) USER MOD Single : A 84 HIS : no HE2:sc= -1.22 X(o=-1.2,f=-0.98) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.89 K(o=1.9,f=-9.1!) USER MOD Single : A 100 LYS NZ :NH3+ 157:sc= 3.4 (180deg=1.44) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HE2:sc= -0.775 K(o=-0.77,f=-6.8!) USER MOD Single : A 110 SER OG : rot 31:sc= 1.19 USER MOD Single : A 112 SER OG : rot 157:sc= 1.21 USER MOD Single : A 120 LYS NZ :NH3+ 136:sc= 1.27 (180deg=0.641) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 37:sc= 0.491 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.0043) USER MOD Single : A 138 SER OG : rot 3:sc= 0.696 USER MOD Single : A 142 LYS NZ :NH3+ 149:sc= 1 (180deg=0.0193) USER MOD Single : A 143 THR OG1 : rot 162:sc= 1.02 USER MOD Single : A 149 HIS : no HE2:sc= 0.117 K(o=0.12,f=-7.6!) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.513 K(o=-0.51,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -41.746 7.596 -23.368 1.00 62.61 N ATOM 2 CA MET A 1 -41.159 7.209 -24.664 1.00 62.14 C ATOM 3 C MET A 1 -40.429 5.881 -24.467 1.00 60.13 C ATOM 4 O MET A 1 -40.395 5.379 -23.345 1.00 59.51 O ATOM 5 CB MET A 1 -40.227 8.306 -25.204 1.00 62.97 C ATOM 6 CG MET A 1 -40.993 9.549 -25.685 1.00 64.64 C ATOM 7 SD MET A 1 -39.970 10.987 -26.109 1.00 65.90 S ATOM 8 CE MET A 1 -38.963 10.327 -27.458 1.00 65.48 C ATOM 0 H1 MET A 1 -42.779 7.673 -23.464 1.00 62.61 H new ATOM 0 H2 MET A 1 -41.517 6.875 -22.654 1.00 62.61 H new ATOM 0 H3 MET A 1 -41.357 8.513 -23.071 1.00 62.61 H new ATOM 0 HA MET A 1 -41.941 7.087 -25.413 1.00 62.14 H new ATOM 0 HB2 MET A 1 -39.524 8.597 -24.424 1.00 62.97 H new ATOM 0 HB3 MET A 1 -39.639 7.904 -26.029 1.00 62.97 H new ATOM 0 HG2 MET A 1 -41.582 9.274 -26.560 1.00 64.64 H new ATOM 0 HG3 MET A 1 -41.697 9.843 -24.907 1.00 64.64 H new ATOM 0 HE1 MET A 1 -38.336 11.120 -27.866 1.00 65.48 H new ATOM 0 HE2 MET A 1 -38.331 9.523 -27.081 1.00 65.48 H new ATOM 0 HE3 MET A 1 -39.614 9.940 -28.242 1.00 65.48 H new ATOM 20 N GLN A 2 -39.888 5.302 -25.537 1.00 59.19 N ATOM 21 CA GLN A 2 -39.182 4.033 -25.505 1.00 57.26 C ATOM 22 C GLN A 2 -37.802 4.239 -24.876 1.00 55.89 C ATOM 23 O GLN A 2 -36.842 4.545 -25.578 1.00 55.80 O ATOM 24 CB GLN A 2 -39.064 3.467 -26.931 1.00 57.18 C ATOM 25 CG GLN A 2 -40.411 3.072 -27.563 1.00 57.63 C ATOM 26 CD GLN A 2 -41.246 4.243 -28.086 1.00 59.10 C ATOM 27 OE1 GLN A 2 -40.828 5.399 -28.064 1.00 59.81 O ATOM 28 NE2 GLN A 2 -42.455 3.956 -28.558 1.00 59.63 N ATOM 0 H GLN A 2 -39.932 5.715 -26.469 1.00 59.19 H new ATOM 0 HA GLN A 2 -39.735 3.314 -24.901 1.00 57.26 H new ATOM 0 HB2 GLN A 2 -38.580 4.209 -27.566 1.00 57.18 H new ATOM 0 HB3 GLN A 2 -38.414 2.592 -26.911 1.00 57.18 H new ATOM 0 HG2 GLN A 2 -40.221 2.384 -28.387 1.00 57.63 H new ATOM 0 HG3 GLN A 2 -40.998 2.529 -26.822 1.00 57.63 H new ATOM 0 HE21 GLN A 2 -42.783 2.990 -28.567 1.00 59.63 H new ATOM 0 HE22 GLN A 2 -43.055 4.702 -28.911 1.00 59.63 H new ATOM 37 N SER A 3 -37.704 4.094 -23.552 1.00 54.93 N ATOM 38 CA SER A 3 -36.467 4.314 -22.817 1.00 53.67 C ATOM 39 C SER A 3 -36.346 3.311 -21.667 1.00 52.01 C ATOM 40 O SER A 3 -36.750 3.621 -20.547 1.00 52.44 O ATOM 41 CB SER A 3 -36.458 5.763 -22.309 1.00 54.54 C ATOM 42 OG SER A 3 -37.630 6.016 -21.559 1.00 55.40 O ATOM 0 H SER A 3 -38.489 3.819 -22.961 1.00 54.93 H new ATOM 0 HA SER A 3 -35.606 4.159 -23.467 1.00 53.67 H new ATOM 0 HB2 SER A 3 -35.576 5.936 -21.692 1.00 54.54 H new ATOM 0 HB3 SER A 3 -36.398 6.453 -23.151 1.00 54.54 H new ATOM 0 HG SER A 3 -37.776 5.285 -20.923 1.00 55.40 H new ATOM 48 N HIS A 4 -35.789 2.125 -21.935 1.00 50.20 N ATOM 49 CA HIS A 4 -35.478 1.122 -20.926 1.00 48.44 C ATOM 50 C HIS A 4 -34.438 0.154 -21.496 1.00 46.54 C ATOM 51 O HIS A 4 -34.422 -0.085 -22.702 1.00 46.73 O ATOM 52 CB HIS A 4 -36.749 0.365 -20.514 1.00 48.70 C ATOM 53 CG HIS A 4 -36.469 -0.787 -19.578 1.00 47.99 C ATOM 54 ND1 HIS A 4 -36.088 -0.681 -18.259 1.00 48.26 N ATOM 55 CD2 HIS A 4 -36.327 -2.100 -19.944 1.00 46.96 C ATOM 56 CE1 HIS A 4 -35.733 -1.909 -17.841 1.00 47.41 C ATOM 57 NE2 HIS A 4 -35.855 -2.804 -18.834 1.00 46.58 N ATOM 0 H HIS A 4 -35.539 1.835 -22.881 1.00 50.20 H new ATOM 0 HA HIS A 4 -35.075 1.609 -20.038 1.00 48.44 H new ATOM 0 HB2 HIS A 4 -37.439 1.058 -20.033 1.00 48.70 H new ATOM 0 HB3 HIS A 4 -37.247 -0.012 -21.407 1.00 48.70 H new ATOM 0 HD2 HIS A 4 -36.542 -2.516 -20.917 1.00 46.96 H new ATOM 0 HE1 HIS A 4 -35.396 -2.143 -16.842 1.00 47.41 H new ATOM 0 HE2 HIS A 4 -35.645 -3.801 -18.787 1.00 46.58 H new ATOM 65 N SER A 5 -33.596 -0.412 -20.628 1.00 44.80 N ATOM 66 CA SER A 5 -32.746 -1.564 -20.887 1.00 42.86 C ATOM 67 C SER A 5 -32.222 -2.034 -19.524 1.00 41.47 C ATOM 68 O SER A 5 -32.286 -1.264 -18.565 1.00 42.11 O ATOM 69 CB SER A 5 -31.614 -1.199 -21.857 1.00 42.48 C ATOM 70 OG SER A 5 -30.936 -0.039 -21.419 1.00 42.80 O ATOM 0 H SER A 5 -33.487 -0.057 -19.678 1.00 44.80 H new ATOM 0 HA SER A 5 -33.297 -2.370 -21.371 1.00 42.86 H new ATOM 0 HB2 SER A 5 -30.912 -2.029 -21.934 1.00 42.48 H new ATOM 0 HB3 SER A 5 -32.022 -1.033 -22.854 1.00 42.48 H new ATOM 0 HG SER A 5 -30.217 0.177 -22.049 1.00 42.80 H new ATOM 76 N ALA A 6 -31.742 -3.280 -19.425 1.00 39.68 N ATOM 77 CA ALA A 6 -31.213 -3.849 -18.185 1.00 38.22 C ATOM 78 C ALA A 6 -30.498 -5.175 -18.473 1.00 36.25 C ATOM 79 O ALA A 6 -30.785 -6.194 -17.849 1.00 35.80 O ATOM 80 CB ALA A 6 -32.347 -4.045 -17.167 1.00 38.72 C ATOM 0 H ALA A 6 -31.711 -3.926 -20.214 1.00 39.68 H new ATOM 0 HA ALA A 6 -30.487 -3.157 -17.758 1.00 38.22 H new ATOM 0 HB1 ALA A 6 -31.942 -4.469 -16.248 1.00 38.72 H new ATOM 0 HB2 ALA A 6 -32.811 -3.083 -16.949 1.00 38.72 H new ATOM 0 HB3 ALA A 6 -33.094 -4.722 -17.581 1.00 38.72 H new ATOM 86 N LEU A 7 -29.575 -5.178 -19.438 1.00 35.22 N ATOM 87 CA LEU A 7 -28.859 -6.365 -19.861 1.00 33.42 C ATOM 88 C LEU A 7 -27.582 -6.494 -19.026 1.00 31.85 C ATOM 89 O LEU A 7 -26.766 -5.575 -19.004 1.00 32.19 O ATOM 90 CB LEU A 7 -28.580 -6.217 -21.364 1.00 33.59 C ATOM 91 CG LEU A 7 -27.587 -7.244 -21.912 1.00 32.63 C ATOM 92 CD1 LEU A 7 -28.071 -8.688 -21.727 1.00 31.70 C ATOM 93 CD2 LEU A 7 -27.344 -6.980 -23.403 1.00 33.45 C ATOM 0 H LEU A 7 -29.306 -4.338 -19.950 1.00 35.22 H new ATOM 0 HA LEU A 7 -29.433 -7.279 -19.705 1.00 33.42 H new ATOM 0 HB2 LEU A 7 -29.520 -6.307 -21.909 1.00 33.59 H new ATOM 0 HB3 LEU A 7 -28.195 -5.215 -21.556 1.00 33.59 H new ATOM 0 HG LEU A 7 -26.662 -7.132 -21.346 1.00 32.63 H new ATOM 0 HD11 LEU A 7 -27.329 -9.375 -22.133 1.00 31.70 H new ATOM 0 HD12 LEU A 7 -28.211 -8.891 -20.665 1.00 31.70 H new ATOM 0 HD13 LEU A 7 -29.017 -8.825 -22.251 1.00 31.70 H new ATOM 0 HD21 LEU A 7 -26.636 -7.712 -23.792 1.00 33.45 H new ATOM 0 HD22 LEU A 7 -28.286 -7.062 -23.945 1.00 33.45 H new ATOM 0 HD23 LEU A 7 -26.937 -5.977 -23.533 1.00 33.45 H new ATOM 105 N THR A 8 -27.397 -7.631 -18.351 1.00 30.26 N ATOM 106 CA THR A 8 -26.183 -7.989 -17.630 1.00 28.58 C ATOM 107 C THR A 8 -26.243 -9.495 -17.358 1.00 26.92 C ATOM 108 O THR A 8 -27.301 -10.099 -17.535 1.00 27.27 O ATOM 109 CB THR A 8 -26.039 -7.159 -16.343 1.00 28.93 C ATOM 110 OG1 THR A 8 -24.875 -7.549 -15.636 1.00 27.50 O ATOM 111 CG2 THR A 8 -27.254 -7.289 -15.415 1.00 29.61 C ATOM 0 H THR A 8 -28.117 -8.351 -18.292 1.00 30.26 H new ATOM 0 HA THR A 8 -25.296 -7.764 -18.222 1.00 28.58 H new ATOM 0 HB THR A 8 -25.965 -6.117 -16.653 1.00 28.93 H new ATOM 0 HG1 THR A 8 -24.093 -7.459 -16.219 1.00 27.50 H new ATOM 0 HG21 THR A 8 -27.097 -6.682 -14.523 1.00 29.61 H new ATOM 0 HG22 THR A 8 -28.148 -6.945 -15.935 1.00 29.61 H new ATOM 0 HG23 THR A 8 -27.381 -8.332 -15.126 1.00 29.61 H new ATOM 119 N ALA A 9 -25.121 -10.093 -16.945 1.00 25.27 N ATOM 120 CA ALA A 9 -25.039 -11.509 -16.596 1.00 23.64 C ATOM 121 C ALA A 9 -23.825 -11.817 -15.708 1.00 22.02 C ATOM 122 O ALA A 9 -23.385 -12.964 -15.632 1.00 21.44 O ATOM 123 CB ALA A 9 -25.001 -12.350 -17.879 1.00 23.42 C ATOM 0 H ALA A 9 -24.235 -9.598 -16.843 1.00 25.27 H new ATOM 0 HA ALA A 9 -25.925 -11.767 -16.016 1.00 23.64 H new ATOM 0 HB1 ALA A 9 -24.940 -13.407 -17.620 1.00 23.42 H new ATOM 0 HB2 ALA A 9 -25.906 -12.170 -18.459 1.00 23.42 H new ATOM 0 HB3 ALA A 9 -24.130 -12.071 -18.471 1.00 23.42 H new ATOM 129 N PHE A 10 -23.261 -10.812 -15.029 1.00 21.42 N ATOM 130 CA PHE A 10 -22.018 -10.983 -14.281 1.00 19.90 C ATOM 131 C PHE A 10 -22.276 -11.640 -12.926 1.00 18.57 C ATOM 132 O PHE A 10 -22.113 -11.007 -11.885 1.00 18.82 O ATOM 133 CB PHE A 10 -21.301 -9.634 -14.143 1.00 20.54 C ATOM 134 CG PHE A 10 -20.919 -9.015 -15.474 1.00 21.11 C ATOM 135 CD1 PHE A 10 -19.974 -9.655 -16.300 1.00 20.75 C ATOM 136 CD2 PHE A 10 -21.566 -7.850 -15.931 1.00 22.24 C ATOM 137 CE1 PHE A 10 -19.691 -9.144 -17.578 1.00 21.58 C ATOM 138 CE2 PHE A 10 -21.278 -7.336 -17.207 1.00 23.01 C ATOM 139 CZ PHE A 10 -20.342 -7.984 -18.033 1.00 22.71 C ATOM 0 H PHE A 10 -23.650 -9.870 -14.984 1.00 21.42 H new ATOM 0 HA PHE A 10 -21.362 -11.656 -14.833 1.00 19.90 H new ATOM 0 HB2 PHE A 10 -21.946 -8.942 -13.601 1.00 20.54 H new ATOM 0 HB3 PHE A 10 -20.402 -9.769 -13.542 1.00 20.54 H new ATOM 0 HD1 PHE A 10 -19.466 -10.541 -15.950 1.00 20.75 H new ATOM 0 HD2 PHE A 10 -22.285 -7.350 -15.299 1.00 22.24 H new ATOM 0 HE1 PHE A 10 -18.973 -9.643 -18.211 1.00 21.58 H new ATOM 0 HE2 PHE A 10 -21.776 -6.443 -17.554 1.00 23.01 H new ATOM 0 HZ PHE A 10 -20.124 -7.591 -19.015 1.00 22.71 H new ATOM 149 N GLN A 11 -22.660 -12.918 -12.947 1.00 17.41 N ATOM 150 CA GLN A 11 -22.914 -13.729 -11.759 1.00 16.19 C ATOM 151 C GLN A 11 -22.027 -14.977 -11.768 1.00 14.35 C ATOM 152 O GLN A 11 -22.413 -16.025 -11.254 1.00 14.24 O ATOM 153 CB GLN A 11 -24.404 -14.087 -11.702 1.00 17.14 C ATOM 154 CG GLN A 11 -25.253 -12.813 -11.630 1.00 18.42 C ATOM 155 CD GLN A 11 -26.740 -13.122 -11.511 1.00 19.56 C ATOM 156 OE1 GLN A 11 -27.512 -12.852 -12.424 1.00 20.53 O ATOM 157 NE2 GLN A 11 -27.161 -13.683 -10.382 1.00 19.68 N ATOM 0 H GLN A 11 -22.806 -13.430 -13.817 1.00 17.41 H new ATOM 0 HA GLN A 11 -22.663 -13.163 -10.862 1.00 16.19 H new ATOM 0 HB2 GLN A 11 -24.680 -14.667 -12.583 1.00 17.14 H new ATOM 0 HB3 GLN A 11 -24.602 -14.714 -10.833 1.00 17.14 H new ATOM 0 HG2 GLN A 11 -24.938 -12.215 -10.775 1.00 18.42 H new ATOM 0 HG3 GLN A 11 -25.078 -12.211 -12.521 1.00 18.42 H new ATOM 0 HE21 GLN A 11 -26.495 -13.896 -9.639 1.00 19.68 H new ATOM 0 HE22 GLN A 11 -28.150 -13.900 -10.258 1.00 19.68 H new ATOM 166 N THR A 12 -20.831 -14.845 -12.344 1.00 13.18 N ATOM 167 CA THR A 12 -19.846 -15.899 -12.494 1.00 11.62 C ATOM 168 C THR A 12 -18.481 -15.216 -12.431 1.00 10.19 C ATOM 169 O THR A 12 -18.396 -14.040 -12.775 1.00 10.84 O ATOM 170 CB THR A 12 -20.056 -16.579 -13.852 1.00 12.59 C ATOM 171 OG1 THR A 12 -21.360 -17.114 -13.942 1.00 13.57 O ATOM 172 CG2 THR A 12 -19.060 -17.701 -14.151 1.00 12.11 C ATOM 0 H THR A 12 -20.515 -13.957 -12.734 1.00 13.18 H new ATOM 0 HA THR A 12 -19.927 -16.662 -11.720 1.00 11.62 H new ATOM 0 HB THR A 12 -19.897 -15.792 -14.589 1.00 12.59 H new ATOM 0 HG1 THR A 12 -21.478 -17.543 -14.815 1.00 13.57 H new ATOM 0 HG21 THR A 12 -19.277 -18.129 -15.129 1.00 12.11 H new ATOM 0 HG22 THR A 12 -18.047 -17.299 -14.148 1.00 12.11 H new ATOM 0 HG23 THR A 12 -19.145 -18.476 -13.389 1.00 12.11 H new ATOM 180 N GLU A 13 -17.452 -15.952 -11.993 1.00 8.61 N ATOM 181 CA GLU A 13 -16.148 -15.418 -11.598 1.00 7.33 C ATOM 182 C GLU A 13 -15.505 -14.633 -12.756 1.00 8.13 C ATOM 183 O GLU A 13 -15.598 -13.409 -12.809 1.00 8.49 O ATOM 184 CB GLU A 13 -15.275 -16.554 -11.007 1.00 5.99 C ATOM 185 CG GLU A 13 -14.429 -16.147 -9.788 1.00 5.04 C ATOM 186 CD GLU A 13 -13.217 -15.296 -10.138 1.00 5.72 C ATOM 187 OE1 GLU A 13 -13.431 -14.173 -10.637 1.00 7.04 O ATOM 188 OE2 GLU A 13 -12.088 -15.775 -9.910 1.00 5.56 O ATOM 0 H GLU A 13 -17.508 -16.966 -11.902 1.00 8.61 H new ATOM 0 HA GLU A 13 -16.260 -14.685 -10.799 1.00 7.33 H new ATOM 0 HB2 GLU A 13 -15.924 -17.382 -10.721 1.00 5.99 H new ATOM 0 HB3 GLU A 13 -14.610 -16.925 -11.786 1.00 5.99 H new ATOM 0 HG2 GLU A 13 -15.058 -15.596 -9.088 1.00 5.04 H new ATOM 0 HG3 GLU A 13 -14.093 -17.047 -9.274 1.00 5.04 H new ATOM 195 N GLN A 14 -14.904 -15.343 -13.718 1.00 8.87 N ATOM 196 CA GLN A 14 -14.332 -14.761 -14.932 1.00 10.25 C ATOM 197 C GLN A 14 -15.052 -15.253 -16.195 1.00 11.34 C ATOM 198 O GLN A 14 -14.954 -14.602 -17.231 1.00 12.49 O ATOM 199 CB GLN A 14 -12.830 -15.069 -15.000 1.00 10.52 C ATOM 200 CG GLN A 14 -12.049 -14.504 -13.803 1.00 10.54 C ATOM 201 CD GLN A 14 -12.142 -12.981 -13.685 1.00 11.57 C ATOM 202 OE1 GLN A 14 -11.815 -12.262 -14.625 1.00 12.78 O ATOM 203 NE2 GLN A 14 -12.583 -12.475 -12.540 1.00 11.52 N ATOM 0 H GLN A 14 -14.801 -16.357 -13.671 1.00 8.87 H new ATOM 0 HA GLN A 14 -14.471 -13.681 -14.888 1.00 10.25 H new ATOM 0 HB2 GLN A 14 -12.687 -16.149 -15.044 1.00 10.52 H new ATOM 0 HB3 GLN A 14 -12.421 -14.656 -15.922 1.00 10.52 H new ATOM 0 HG2 GLN A 14 -12.426 -14.956 -12.886 1.00 10.54 H new ATOM 0 HG3 GLN A 14 -11.001 -14.791 -13.893 1.00 10.54 H new ATOM 0 HE21 GLN A 14 -12.848 -13.097 -11.776 1.00 11.52 H new ATOM 0 HE22 GLN A 14 -12.657 -11.464 -12.424 1.00 11.52 H new ATOM 212 N ILE A 15 -15.778 -16.378 -16.098 1.00 11.31 N ATOM 213 CA ILE A 15 -16.511 -17.028 -17.188 1.00 12.47 C ATOM 214 C ILE A 15 -15.542 -17.720 -18.159 1.00 12.84 C ATOM 215 O ILE A 15 -14.354 -17.411 -18.197 1.00 12.81 O ATOM 216 CB ILE A 15 -17.502 -16.057 -17.890 1.00 13.71 C ATOM 217 CG1 ILE A 15 -18.482 -15.439 -16.875 1.00 13.85 C ATOM 218 CG2 ILE A 15 -18.328 -16.762 -18.981 1.00 15.04 C ATOM 219 CD1 ILE A 15 -19.120 -14.134 -17.366 1.00 15.37 C ATOM 0 H ILE A 15 -15.872 -16.880 -15.215 1.00 11.31 H new ATOM 0 HA ILE A 15 -17.136 -17.810 -16.758 1.00 12.47 H new ATOM 0 HB ILE A 15 -16.891 -15.280 -18.348 1.00 13.71 H new ATOM 0 HG12 ILE A 15 -19.269 -16.160 -16.655 1.00 13.85 H new ATOM 0 HG13 ILE A 15 -17.954 -15.248 -15.941 1.00 13.85 H new ATOM 0 HG21 ILE A 15 -19.006 -16.045 -19.444 1.00 15.04 H new ATOM 0 HG22 ILE A 15 -17.658 -17.169 -19.738 1.00 15.04 H new ATOM 0 HG23 ILE A 15 -18.905 -17.571 -18.534 1.00 15.04 H new ATOM 0 HD11 ILE A 15 -19.799 -13.752 -16.604 1.00 15.37 H new ATOM 0 HD12 ILE A 15 -18.340 -13.398 -17.559 1.00 15.37 H new ATOM 0 HD13 ILE A 15 -19.675 -14.324 -18.285 1.00 15.37 H new ATOM 231 N GLN A 16 -16.062 -18.689 -18.917 1.00 13.54 N ATOM 232 CA GLN A 16 -15.435 -19.334 -20.060 1.00 14.35 C ATOM 233 C GLN A 16 -14.417 -20.360 -19.577 1.00 13.48 C ATOM 234 O GLN A 16 -13.261 -20.347 -19.995 1.00 13.79 O ATOM 235 CB GLN A 16 -14.928 -18.296 -21.090 1.00 15.96 C ATOM 236 CG GLN A 16 -14.212 -18.842 -22.337 1.00 17.13 C ATOM 237 CD GLN A 16 -14.828 -20.119 -22.899 1.00 17.67 C ATOM 238 OE1 GLN A 16 -15.710 -20.074 -23.750 1.00 18.79 O ATOM 239 NE2 GLN A 16 -14.357 -21.271 -22.431 1.00 17.09 N ATOM 0 H GLN A 16 -16.992 -19.064 -18.732 1.00 13.54 H new ATOM 0 HA GLN A 16 -16.168 -19.907 -20.628 1.00 14.35 H new ATOM 0 HB2 GLN A 16 -15.781 -17.703 -21.421 1.00 15.96 H new ATOM 0 HB3 GLN A 16 -14.247 -17.616 -20.579 1.00 15.96 H new ATOM 0 HG2 GLN A 16 -14.220 -18.076 -23.112 1.00 17.13 H new ATOM 0 HG3 GLN A 16 -13.168 -19.034 -22.089 1.00 17.13 H new ATOM 0 HE21 GLN A 16 -13.623 -21.272 -21.723 1.00 17.09 H new ATOM 0 HE22 GLN A 16 -14.730 -22.154 -22.780 1.00 17.09 H new ATOM 248 N ASP A 17 -14.880 -21.293 -18.740 1.00 12.79 N ATOM 249 CA ASP A 17 -14.144 -22.478 -18.293 1.00 12.32 C ATOM 250 C ASP A 17 -13.063 -22.139 -17.266 1.00 11.24 C ATOM 251 O ASP A 17 -12.978 -22.803 -16.236 1.00 10.39 O ATOM 252 CB ASP A 17 -13.596 -23.321 -19.452 1.00 13.71 C ATOM 253 CG ASP A 17 -12.964 -24.600 -18.916 1.00 13.70 C ATOM 254 OD1 ASP A 17 -11.777 -24.827 -19.224 1.00 14.39 O ATOM 255 OD2 ASP A 17 -13.680 -25.323 -18.190 1.00 13.28 O ATOM 0 H ASP A 17 -15.816 -21.241 -18.339 1.00 12.79 H new ATOM 0 HA ASP A 17 -14.877 -23.106 -17.786 1.00 12.32 H new ATOM 0 HB2 ASP A 17 -14.400 -23.566 -20.145 1.00 13.71 H new ATOM 0 HB3 ASP A 17 -12.857 -22.748 -20.011 1.00 13.71 H new ATOM 260 N SER A 18 -12.309 -21.056 -17.476 1.00 11.56 N ATOM 261 CA SER A 18 -11.483 -20.393 -16.471 1.00 10.83 C ATOM 262 C SER A 18 -12.186 -20.334 -15.110 1.00 9.17 C ATOM 263 O SER A 18 -11.580 -20.557 -14.061 1.00 8.50 O ATOM 264 CB SER A 18 -11.188 -18.977 -16.976 1.00 11.83 C ATOM 265 OG SER A 18 -10.746 -19.054 -18.318 1.00 13.06 O ATOM 0 H SER A 18 -12.258 -20.602 -18.388 1.00 11.56 H new ATOM 0 HA SER A 18 -10.561 -20.957 -16.327 1.00 10.83 H new ATOM 0 HB2 SER A 18 -12.083 -18.358 -16.908 1.00 11.83 H new ATOM 0 HB3 SER A 18 -10.427 -18.506 -16.354 1.00 11.83 H new ATOM 0 HG SER A 18 -10.556 -18.153 -18.652 1.00 13.06 H new ATOM 271 N GLU A 19 -13.492 -20.054 -15.145 1.00 8.89 N ATOM 272 CA GLU A 19 -14.387 -20.084 -14.003 1.00 7.81 C ATOM 273 C GLU A 19 -14.181 -21.310 -13.105 1.00 7.11 C ATOM 274 O GLU A 19 -14.247 -21.169 -11.889 1.00 6.32 O ATOM 275 CB GLU A 19 -15.831 -19.960 -14.504 1.00 8.60 C ATOM 276 CG GLU A 19 -16.246 -21.113 -15.426 1.00 9.62 C ATOM 277 CD GLU A 19 -17.466 -20.731 -16.239 1.00 10.38 C ATOM 278 OE1 GLU A 19 -18.535 -20.615 -15.597 1.00 10.42 O ATOM 279 OE2 GLU A 19 -17.292 -20.519 -17.460 1.00 11.25 O ATOM 0 H GLU A 19 -13.966 -19.790 -16.009 1.00 8.89 H new ATOM 0 HA GLU A 19 -14.155 -19.235 -13.360 1.00 7.81 H new ATOM 0 HB2 GLU A 19 -16.505 -19.926 -13.648 1.00 8.60 H new ATOM 0 HB3 GLU A 19 -15.945 -19.016 -15.037 1.00 8.60 H new ATOM 0 HG2 GLU A 19 -15.422 -21.367 -16.093 1.00 9.62 H new ATOM 0 HG3 GLU A 19 -16.461 -22.001 -14.832 1.00 9.62 H new ATOM 286 N HIS A 20 -13.916 -22.498 -13.658 1.00 7.86 N ATOM 287 CA HIS A 20 -13.583 -23.675 -12.861 1.00 8.00 C ATOM 288 C HIS A 20 -12.494 -23.361 -11.838 1.00 7.62 C ATOM 289 O HIS A 20 -12.617 -23.761 -10.685 1.00 7.56 O ATOM 290 CB HIS A 20 -13.138 -24.841 -13.751 1.00 9.34 C ATOM 291 CG HIS A 20 -14.279 -25.591 -14.383 1.00 10.19 C ATOM 292 ND1 HIS A 20 -14.503 -25.776 -15.728 1.00 11.22 N ATOM 293 CD2 HIS A 20 -15.159 -26.391 -13.708 1.00 10.57 C ATOM 294 CE1 HIS A 20 -15.500 -26.665 -15.854 1.00 12.10 C ATOM 295 NE2 HIS A 20 -15.916 -27.099 -14.648 1.00 11.80 N ATOM 0 H HIS A 20 -13.927 -22.667 -14.664 1.00 7.86 H new ATOM 0 HA HIS A 20 -14.488 -23.968 -12.328 1.00 8.00 H new ATOM 0 HB2 HIS A 20 -12.487 -24.458 -14.537 1.00 9.34 H new ATOM 0 HB3 HIS A 20 -12.545 -25.535 -13.155 1.00 9.34 H new ATOM 0 HD1 HIS A 20 -14.002 -25.320 -16.491 1.00 11.22 H new ATOM 0 HD2 HIS A 20 -15.253 -26.464 -12.635 1.00 10.57 H new ATOM 0 HE1 HIS A 20 -15.914 -26.990 -16.797 1.00 12.10 H new ATOM 303 N SER A 21 -11.443 -22.648 -12.247 1.00 7.99 N ATOM 304 CA SER A 21 -10.386 -22.232 -11.335 1.00 8.23 C ATOM 305 C SER A 21 -10.922 -21.195 -10.347 1.00 7.15 C ATOM 306 O SER A 21 -10.627 -21.262 -9.157 1.00 7.32 O ATOM 307 CB SER A 21 -9.188 -21.700 -12.125 1.00 9.51 C ATOM 308 OG SER A 21 -8.774 -22.666 -13.072 1.00 10.28 O ATOM 0 H SER A 21 -11.305 -22.347 -13.212 1.00 7.99 H new ATOM 0 HA SER A 21 -10.045 -23.092 -10.758 1.00 8.23 H new ATOM 0 HB2 SER A 21 -9.457 -20.773 -12.631 1.00 9.51 H new ATOM 0 HB3 SER A 21 -8.367 -21.467 -11.447 1.00 9.51 H new ATOM 0 HG SER A 21 -8.008 -22.322 -13.577 1.00 10.28 H new ATOM 314 N GLY A 22 -11.706 -20.239 -10.853 1.00 6.56 N ATOM 315 CA GLY A 22 -12.249 -19.144 -10.066 1.00 5.90 C ATOM 316 C GLY A 22 -13.311 -19.599 -9.056 1.00 5.34 C ATOM 317 O GLY A 22 -13.056 -19.642 -7.856 1.00 5.74 O ATOM 0 H GLY A 22 -11.981 -20.209 -11.835 1.00 6.56 H new ATOM 0 HA2 GLY A 22 -11.437 -18.650 -9.533 1.00 5.90 H new ATOM 0 HA3 GLY A 22 -12.687 -18.404 -10.736 1.00 5.90 H new ATOM 321 N LYS A 23 -14.529 -19.893 -9.530 1.00 5.34 N ATOM 322 CA LYS A 23 -15.671 -20.163 -8.657 1.00 5.97 C ATOM 323 C LYS A 23 -15.519 -21.498 -7.924 1.00 6.97 C ATOM 324 O LYS A 23 -15.955 -21.611 -6.781 1.00 7.98 O ATOM 325 CB LYS A 23 -17.023 -20.048 -9.394 1.00 6.78 C ATOM 326 CG LYS A 23 -17.199 -21.005 -10.583 1.00 7.87 C ATOM 327 CD LYS A 23 -18.561 -20.850 -11.271 1.00 9.38 C ATOM 328 CE LYS A 23 -18.710 -21.908 -12.380 1.00 10.78 C ATOM 329 NZ LYS A 23 -19.640 -21.504 -13.458 1.00 12.09 N ATOM 0 H LYS A 23 -14.746 -19.949 -10.525 1.00 5.34 H new ATOM 0 HA LYS A 23 -15.677 -19.381 -7.898 1.00 5.97 H new ATOM 0 HB2 LYS A 23 -17.826 -20.230 -8.679 1.00 6.78 H new ATOM 0 HB3 LYS A 23 -17.139 -19.025 -9.751 1.00 6.78 H new ATOM 0 HG2 LYS A 23 -16.407 -20.825 -11.310 1.00 7.87 H new ATOM 0 HG3 LYS A 23 -17.086 -22.032 -10.237 1.00 7.87 H new ATOM 0 HD2 LYS A 23 -19.362 -20.961 -10.540 1.00 9.38 H new ATOM 0 HD3 LYS A 23 -18.652 -19.850 -11.695 1.00 9.38 H new ATOM 0 HE2 LYS A 23 -17.730 -22.110 -12.813 1.00 10.78 H new ATOM 0 HE3 LYS A 23 -19.062 -22.840 -11.938 1.00 10.78 H new ATOM 0 HZ1 LYS A 23 -19.933 -22.344 -13.997 1.00 12.09 H new ATOM 0 HZ2 LYS A 23 -20.478 -21.050 -13.042 1.00 12.09 H new ATOM 0 HZ3 LYS A 23 -19.164 -20.833 -14.094 1.00 12.09 H new ATOM 343 N MET A 24 -14.932 -22.506 -8.585 1.00 7.20 N ATOM 344 CA MET A 24 -14.707 -23.850 -8.053 1.00 8.54 C ATOM 345 C MET A 24 -15.988 -24.612 -7.737 1.00 9.57 C ATOM 346 O MET A 24 -16.272 -25.605 -8.406 1.00 10.35 O ATOM 347 CB MET A 24 -13.711 -23.828 -6.879 1.00 8.76 C ATOM 348 CG MET A 24 -12.279 -23.894 -7.412 1.00 8.71 C ATOM 349 SD MET A 24 -11.736 -25.596 -7.744 1.00 10.62 S ATOM 350 CE MET A 24 -10.298 -25.326 -8.797 1.00 11.04 C ATOM 0 H MET A 24 -14.590 -22.400 -9.540 1.00 7.20 H new ATOM 0 HA MET A 24 -14.246 -24.424 -8.857 1.00 8.54 H new ATOM 0 HB2 MET A 24 -13.848 -22.921 -6.291 1.00 8.76 H new ATOM 0 HB3 MET A 24 -13.900 -24.671 -6.214 1.00 8.76 H new ATOM 0 HG2 MET A 24 -12.209 -23.309 -8.329 1.00 8.71 H new ATOM 0 HG3 MET A 24 -11.604 -23.436 -6.689 1.00 8.71 H new ATOM 0 HE1 MET A 24 -9.650 -26.202 -8.760 1.00 11.04 H new ATOM 0 HE2 MET A 24 -10.625 -25.160 -9.824 1.00 11.04 H new ATOM 0 HE3 MET A 24 -9.748 -24.453 -8.446 1.00 11.04 H new ATOM 360 N VAL A 25 -16.751 -24.164 -6.738 1.00 10.05 N ATOM 361 CA VAL A 25 -18.056 -24.699 -6.378 1.00 11.44 C ATOM 362 C VAL A 25 -17.921 -26.121 -5.821 1.00 12.48 C ATOM 363 O VAL A 25 -18.030 -26.325 -4.615 1.00 13.27 O ATOM 364 CB VAL A 25 -19.021 -24.574 -7.578 1.00 12.07 C ATOM 365 CG1 VAL A 25 -20.376 -25.236 -7.297 1.00 13.65 C ATOM 366 CG2 VAL A 25 -19.263 -23.096 -7.911 1.00 11.58 C ATOM 0 H VAL A 25 -16.462 -23.391 -6.139 1.00 10.05 H new ATOM 0 HA VAL A 25 -18.496 -24.114 -5.571 1.00 11.44 H new ATOM 0 HB VAL A 25 -18.550 -25.084 -8.418 1.00 12.07 H new ATOM 0 HG11 VAL A 25 -21.023 -25.124 -8.167 1.00 13.65 H new ATOM 0 HG12 VAL A 25 -20.227 -26.296 -7.089 1.00 13.65 H new ATOM 0 HG13 VAL A 25 -20.842 -24.759 -6.435 1.00 13.65 H new ATOM 0 HG21 VAL A 25 -19.945 -23.021 -8.758 1.00 11.58 H new ATOM 0 HG22 VAL A 25 -19.701 -22.595 -7.047 1.00 11.58 H new ATOM 0 HG23 VAL A 25 -18.316 -22.620 -8.164 1.00 11.58 H new ATOM 376 N ALA A 26 -17.677 -27.100 -6.693 1.00 12.77 N ATOM 377 CA ALA A 26 -17.474 -28.496 -6.356 1.00 13.92 C ATOM 378 C ALA A 26 -16.914 -29.189 -7.596 1.00 13.68 C ATOM 379 O ALA A 26 -17.527 -29.135 -8.661 1.00 13.64 O ATOM 380 CB ALA A 26 -18.793 -29.143 -5.923 1.00 15.29 C ATOM 0 H ALA A 26 -17.614 -26.926 -7.696 1.00 12.77 H new ATOM 0 HA ALA A 26 -16.779 -28.590 -5.522 1.00 13.92 H new ATOM 0 HB1 ALA A 26 -18.620 -30.190 -5.674 1.00 15.29 H new ATOM 0 HB2 ALA A 26 -19.184 -28.622 -5.049 1.00 15.29 H new ATOM 0 HB3 ALA A 26 -19.515 -29.078 -6.737 1.00 15.29 H new ATOM 386 N LYS A 27 -15.749 -29.825 -7.473 1.00 13.89 N ATOM 387 CA LYS A 27 -15.085 -30.523 -8.564 1.00 14.11 C ATOM 388 C LYS A 27 -14.384 -31.743 -7.959 1.00 14.86 C ATOM 389 O LYS A 27 -13.168 -31.879 -8.045 1.00 14.79 O ATOM 390 CB LYS A 27 -14.133 -29.537 -9.268 1.00 13.38 C ATOM 391 CG LYS A 27 -13.730 -29.963 -10.688 1.00 13.73 C ATOM 392 CD LYS A 27 -14.870 -29.738 -11.696 1.00 14.00 C ATOM 393 CE LYS A 27 -14.386 -30.001 -13.132 1.00 14.48 C ATOM 394 NZ LYS A 27 -15.438 -29.739 -14.141 1.00 15.40 N ATOM 0 H LYS A 27 -15.234 -29.868 -6.594 1.00 13.89 H new ATOM 0 HA LYS A 27 -15.774 -30.882 -9.329 1.00 14.11 H new ATOM 0 HB2 LYS A 27 -14.610 -28.558 -9.315 1.00 13.38 H new ATOM 0 HB3 LYS A 27 -13.232 -29.424 -8.664 1.00 13.38 H new ATOM 0 HG2 LYS A 27 -12.851 -29.399 -11.001 1.00 13.73 H new ATOM 0 HG3 LYS A 27 -13.449 -31.016 -10.686 1.00 13.73 H new ATOM 0 HD2 LYS A 27 -15.705 -30.398 -11.462 1.00 14.00 H new ATOM 0 HD3 LYS A 27 -15.239 -28.716 -11.613 1.00 14.00 H new ATOM 0 HE2 LYS A 27 -13.521 -29.372 -13.342 1.00 14.48 H new ATOM 0 HE3 LYS A 27 -14.055 -31.036 -13.217 1.00 14.48 H new ATOM 0 HZ1 LYS A 27 -15.202 -30.234 -15.025 1.00 15.40 H new ATOM 0 HZ2 LYS A 27 -16.353 -30.082 -13.785 1.00 15.40 H new ATOM 0 HZ3 LYS A 27 -15.498 -28.717 -14.322 1.00 15.40 H new ATOM 408 N ARG A 28 -15.186 -32.604 -7.317 1.00 15.86 N ATOM 409 CA ARG A 28 -14.753 -33.551 -6.293 1.00 16.79 C ATOM 410 C ARG A 28 -14.234 -32.760 -5.094 1.00 16.46 C ATOM 411 O ARG A 28 -13.030 -32.628 -4.895 1.00 16.63 O ATOM 412 CB ARG A 28 -13.743 -34.592 -6.805 1.00 17.84 C ATOM 413 CG ARG A 28 -14.339 -35.455 -7.922 1.00 18.51 C ATOM 414 CD ARG A 28 -13.354 -36.566 -8.309 1.00 19.72 C ATOM 415 NE ARG A 28 -13.926 -37.487 -9.307 1.00 20.69 N ATOM 416 CZ ARG A 28 -14.768 -38.500 -9.041 1.00 21.81 C ATOM 417 NH1 ARG A 28 -15.203 -38.696 -7.791 1.00 22.13 N ATOM 418 NH2 ARG A 28 -15.174 -39.311 -10.025 1.00 22.78 N ATOM 0 H ARG A 28 -16.187 -32.658 -7.506 1.00 15.86 H new ATOM 0 HA ARG A 28 -15.611 -34.151 -5.988 1.00 16.79 H new ATOM 0 HB2 ARG A 28 -12.852 -34.084 -7.173 1.00 17.84 H new ATOM 0 HB3 ARG A 28 -13.428 -35.231 -5.980 1.00 17.84 H new ATOM 0 HG2 ARG A 28 -15.281 -35.892 -7.592 1.00 18.51 H new ATOM 0 HG3 ARG A 28 -14.562 -34.836 -8.791 1.00 18.51 H new ATOM 0 HD2 ARG A 28 -12.443 -36.120 -8.707 1.00 19.72 H new ATOM 0 HD3 ARG A 28 -13.071 -37.127 -7.418 1.00 19.72 H new ATOM 0 HE ARG A 28 -13.661 -37.344 -10.281 1.00 20.69 H new ATOM 0 HH11 ARG A 28 -14.896 -38.077 -7.041 1.00 22.13 H new ATOM 0 HH12 ARG A 28 -15.842 -39.465 -7.588 1.00 22.13 H new ATOM 0 HH21 ARG A 28 -14.844 -39.161 -10.978 1.00 22.78 H new ATOM 0 HH22 ARG A 28 -15.813 -40.079 -9.822 1.00 22.78 H new ATOM 432 N GLN A 29 -15.173 -32.228 -4.303 1.00 16.26 N ATOM 433 CA GLN A 29 -14.907 -31.278 -3.232 1.00 16.12 C ATOM 434 C GLN A 29 -14.252 -30.019 -3.819 1.00 15.07 C ATOM 435 O GLN A 29 -14.358 -29.771 -5.022 1.00 15.17 O ATOM 436 CB GLN A 29 -14.105 -31.923 -2.084 1.00 16.84 C ATOM 437 CG GLN A 29 -14.717 -33.241 -1.580 1.00 18.03 C ATOM 438 CD GLN A 29 -14.319 -34.452 -2.421 1.00 18.88 C ATOM 439 OE1 GLN A 29 -15.130 -35.010 -3.156 1.00 19.35 O ATOM 440 NE2 GLN A 29 -13.062 -34.873 -2.327 1.00 19.33 N ATOM 0 H GLN A 29 -16.163 -32.456 -4.398 1.00 16.26 H new ATOM 0 HA GLN A 29 -15.846 -30.969 -2.773 1.00 16.12 H new ATOM 0 HB2 GLN A 29 -13.086 -32.110 -2.422 1.00 16.84 H new ATOM 0 HB3 GLN A 29 -14.042 -31.219 -1.254 1.00 16.84 H new ATOM 0 HG2 GLN A 29 -14.407 -33.406 -0.548 1.00 18.03 H new ATOM 0 HG3 GLN A 29 -15.803 -33.151 -1.576 1.00 18.03 H new ATOM 0 HE21 GLN A 29 -12.408 -34.392 -1.709 1.00 19.33 H new ATOM 0 HE22 GLN A 29 -12.751 -35.677 -2.873 1.00 19.33 H new ATOM 449 N PHE A 30 -13.609 -29.203 -2.983 1.00 14.35 N ATOM 450 CA PHE A 30 -12.863 -28.041 -3.450 1.00 13.59 C ATOM 451 C PHE A 30 -11.444 -28.451 -3.824 1.00 12.98 C ATOM 452 O PHE A 30 -11.064 -29.612 -3.693 1.00 13.58 O ATOM 453 CB PHE A 30 -12.799 -26.971 -2.361 1.00 13.45 C ATOM 454 CG PHE A 30 -14.095 -26.753 -1.602 1.00 14.55 C ATOM 455 CD1 PHE A 30 -15.275 -26.430 -2.300 1.00 15.17 C ATOM 456 CD2 PHE A 30 -14.139 -26.947 -0.208 1.00 15.28 C ATOM 457 CE1 PHE A 30 -16.491 -26.307 -1.606 1.00 16.40 C ATOM 458 CE2 PHE A 30 -15.355 -26.818 0.485 1.00 16.56 C ATOM 459 CZ PHE A 30 -16.532 -26.501 -0.214 1.00 17.07 C ATOM 0 H PHE A 30 -13.592 -29.330 -1.971 1.00 14.35 H new ATOM 0 HA PHE A 30 -13.374 -27.635 -4.323 1.00 13.59 H new ATOM 0 HB2 PHE A 30 -12.020 -27.244 -1.649 1.00 13.45 H new ATOM 0 HB3 PHE A 30 -12.499 -26.027 -2.816 1.00 13.45 H new ATOM 0 HD1 PHE A 30 -15.245 -26.277 -3.369 1.00 15.17 H new ATOM 0 HD2 PHE A 30 -13.236 -27.196 0.330 1.00 15.28 H new ATOM 0 HE1 PHE A 30 -17.396 -26.063 -2.143 1.00 16.40 H new ATOM 0 HE2 PHE A 30 -15.385 -26.963 1.555 1.00 16.56 H new ATOM 0 HZ PHE A 30 -17.467 -26.406 0.318 1.00 17.07 H new ATOM 469 N ARG A 31 -10.642 -27.468 -4.240 1.00 12.15 N ATOM 470 CA ARG A 31 -9.260 -27.692 -4.622 1.00 11.82 C ATOM 471 C ARG A 31 -8.508 -26.366 -4.679 1.00 10.62 C ATOM 472 O ARG A 31 -7.437 -26.239 -4.092 1.00 10.43 O ATOM 473 CB ARG A 31 -9.254 -28.407 -5.974 1.00 12.60 C ATOM 474 CG ARG A 31 -7.828 -28.698 -6.461 1.00 13.00 C ATOM 475 CD ARG A 31 -7.855 -29.563 -7.727 1.00 14.35 C ATOM 476 NE ARG A 31 -6.494 -29.875 -8.198 1.00 14.89 N ATOM 477 CZ ARG A 31 -5.682 -30.809 -7.676 1.00 15.83 C ATOM 478 NH1 ARG A 31 -6.090 -31.538 -6.631 1.00 16.34 N ATOM 479 NH2 ARG A 31 -4.467 -31.008 -8.198 1.00 16.50 N ATOM 0 H ARG A 31 -10.940 -26.496 -4.319 1.00 12.15 H new ATOM 0 HA ARG A 31 -8.751 -28.314 -3.886 1.00 11.82 H new ATOM 0 HB2 ARG A 31 -9.808 -29.342 -5.893 1.00 12.60 H new ATOM 0 HB3 ARG A 31 -9.771 -27.793 -6.712 1.00 12.60 H new ATOM 0 HG2 ARG A 31 -7.310 -27.761 -6.665 1.00 13.00 H new ATOM 0 HG3 ARG A 31 -7.268 -29.208 -5.678 1.00 13.00 H new ATOM 0 HD2 ARG A 31 -8.392 -30.490 -7.524 1.00 14.35 H new ATOM 0 HD3 ARG A 31 -8.403 -29.043 -8.513 1.00 14.35 H new ATOM 0 HE ARG A 31 -6.138 -29.336 -8.987 1.00 14.89 H new ATOM 0 HH11 ARG A 31 -7.016 -31.384 -6.232 1.00 16.34 H new ATOM 0 HH12 ARG A 31 -5.475 -32.248 -6.233 1.00 16.34 H new ATOM 0 HH21 ARG A 31 -4.156 -30.450 -8.993 1.00 16.50 H new ATOM 0 HH22 ARG A 31 -3.851 -31.718 -7.801 1.00 16.50 H new ATOM 493 N ILE A 32 -9.063 -25.398 -5.416 1.00 10.19 N ATOM 494 CA ILE A 32 -8.452 -24.106 -5.712 1.00 9.47 C ATOM 495 C ILE A 32 -7.212 -24.310 -6.586 1.00 9.57 C ATOM 496 O ILE A 32 -7.237 -24.008 -7.777 1.00 10.36 O ATOM 497 CB ILE A 32 -8.190 -23.273 -4.437 1.00 9.53 C ATOM 498 CG1 ILE A 32 -9.507 -23.079 -3.660 1.00 10.17 C ATOM 499 CG2 ILE A 32 -7.585 -21.921 -4.836 1.00 9.25 C ATOM 500 CD1 ILE A 32 -9.324 -22.332 -2.334 1.00 10.71 C ATOM 0 H ILE A 32 -9.986 -25.501 -5.837 1.00 10.19 H new ATOM 0 HA ILE A 32 -9.157 -23.504 -6.286 1.00 9.47 H new ATOM 0 HB ILE A 32 -7.487 -23.796 -3.788 1.00 9.53 H new ATOM 0 HG12 ILE A 32 -10.212 -22.530 -4.284 1.00 10.17 H new ATOM 0 HG13 ILE A 32 -9.951 -24.055 -3.461 1.00 10.17 H new ATOM 0 HG21 ILE A 32 -7.398 -21.328 -3.941 1.00 9.25 H new ATOM 0 HG22 ILE A 32 -6.647 -22.084 -5.366 1.00 9.25 H new ATOM 0 HG23 ILE A 32 -8.280 -21.389 -5.485 1.00 9.25 H new ATOM 0 HD11 ILE A 32 -10.289 -22.229 -1.838 1.00 10.71 H new ATOM 0 HD12 ILE A 32 -8.644 -22.892 -1.692 1.00 10.71 H new ATOM 0 HD13 ILE A 32 -8.909 -21.343 -2.528 1.00 10.71 H new ATOM 512 N GLY A 33 -6.130 -24.839 -6.015 1.00 9.31 N ATOM 513 CA GLY A 33 -4.878 -25.067 -6.720 1.00 9.92 C ATOM 514 C GLY A 33 -4.120 -23.760 -6.957 1.00 9.28 C ATOM 515 O GLY A 33 -2.999 -23.613 -6.477 1.00 9.79 O ATOM 0 H GLY A 33 -6.103 -25.124 -5.036 1.00 9.31 H new ATOM 0 HA2 GLY A 33 -4.255 -25.751 -6.144 1.00 9.92 H new ATOM 0 HA3 GLY A 33 -5.081 -25.549 -7.676 1.00 9.92 H new ATOM 519 N ASP A 34 -4.728 -22.831 -7.700 1.00 8.55 N ATOM 520 CA ASP A 34 -4.140 -21.565 -8.112 1.00 8.32 C ATOM 521 C ASP A 34 -5.209 -20.466 -8.045 1.00 7.37 C ATOM 522 O ASP A 34 -6.387 -20.754 -7.819 1.00 6.91 O ATOM 523 CB ASP A 34 -3.566 -21.743 -9.529 1.00 9.52 C ATOM 524 CG ASP A 34 -2.789 -20.539 -10.045 1.00 10.19 C ATOM 525 OD1 ASP A 34 -2.394 -19.702 -9.202 1.00 10.08 O ATOM 526 OD2 ASP A 34 -2.621 -20.470 -11.279 1.00 11.24 O ATOM 0 H ASP A 34 -5.682 -22.951 -8.042 1.00 8.55 H new ATOM 0 HA ASP A 34 -3.328 -21.265 -7.450 1.00 8.32 H new ATOM 0 HB2 ASP A 34 -2.911 -22.614 -9.536 1.00 9.52 H new ATOM 0 HB3 ASP A 34 -4.385 -21.954 -10.217 1.00 9.52 H new ATOM 531 N ILE A 35 -4.800 -19.210 -8.234 1.00 7.54 N ATOM 532 CA ILE A 35 -5.627 -18.012 -8.272 1.00 7.09 C ATOM 533 C ILE A 35 -6.235 -17.730 -6.897 1.00 5.48 C ATOM 534 O ILE A 35 -5.816 -16.806 -6.205 1.00 5.66 O ATOM 535 CB ILE A 35 -6.678 -18.068 -9.408 1.00 8.22 C ATOM 536 CG1 ILE A 35 -6.006 -18.410 -10.753 1.00 10.06 C ATOM 537 CG2 ILE A 35 -7.423 -16.727 -9.509 1.00 8.40 C ATOM 538 CD1 ILE A 35 -7.002 -18.462 -11.916 1.00 11.12 C ATOM 0 H ILE A 35 -3.813 -18.993 -8.374 1.00 7.54 H new ATOM 0 HA ILE A 35 -4.987 -17.163 -8.513 1.00 7.09 H new ATOM 0 HB ILE A 35 -7.398 -18.853 -9.174 1.00 8.22 H new ATOM 0 HG12 ILE A 35 -5.239 -17.667 -10.970 1.00 10.06 H new ATOM 0 HG13 ILE A 35 -5.502 -19.373 -10.668 1.00 10.06 H new ATOM 0 HG21 ILE A 35 -8.159 -16.779 -10.311 1.00 8.40 H new ATOM 0 HG22 ILE A 35 -7.928 -16.520 -8.566 1.00 8.40 H new ATOM 0 HG23 ILE A 35 -6.710 -15.930 -9.722 1.00 8.40 H new ATOM 0 HD11 ILE A 35 -6.473 -18.707 -12.837 1.00 11.12 H new ATOM 0 HD12 ILE A 35 -7.755 -19.224 -11.716 1.00 11.12 H new ATOM 0 HD13 ILE A 35 -7.487 -17.492 -12.023 1.00 11.12 H new ATOM 550 N ALA A 36 -7.247 -18.502 -6.501 1.00 4.54 N ATOM 551 CA ALA A 36 -8.020 -18.318 -5.278 1.00 3.72 C ATOM 552 C ALA A 36 -8.932 -17.086 -5.303 1.00 3.12 C ATOM 553 O ALA A 36 -10.078 -17.210 -4.880 1.00 3.57 O ATOM 554 CB ALA A 36 -7.124 -18.329 -4.035 1.00 3.82 C ATOM 0 H ALA A 36 -7.561 -19.304 -7.047 1.00 4.54 H new ATOM 0 HA ALA A 36 -8.687 -19.178 -5.222 1.00 3.72 H new ATOM 0 HB1 ALA A 36 -7.736 -18.189 -3.144 1.00 3.82 H new ATOM 0 HB2 ALA A 36 -6.603 -19.284 -3.971 1.00 3.82 H new ATOM 0 HB3 ALA A 36 -6.395 -17.522 -4.105 1.00 3.82 H new ATOM 560 N GLY A 37 -8.429 -15.915 -5.720 1.00 3.02 N ATOM 561 CA GLY A 37 -9.139 -14.643 -5.885 1.00 2.53 C ATOM 562 C GLY A 37 -10.435 -14.488 -5.089 1.00 2.13 C ATOM 563 O GLY A 37 -10.381 -14.177 -3.901 1.00 3.00 O ATOM 0 H GLY A 37 -7.443 -15.828 -5.968 1.00 3.02 H new ATOM 0 HA2 GLY A 37 -8.464 -13.835 -5.603 1.00 2.53 H new ATOM 0 HA3 GLY A 37 -9.368 -14.513 -6.943 1.00 2.53 H new ATOM 567 N GLU A 38 -11.576 -14.693 -5.752 1.00 1.92 N ATOM 568 CA GLU A 38 -12.925 -14.262 -5.377 1.00 1.59 C ATOM 569 C GLU A 38 -13.157 -12.799 -5.774 1.00 1.34 C ATOM 570 O GLU A 38 -12.820 -12.470 -6.907 1.00 1.37 O ATOM 571 CB GLU A 38 -13.353 -14.651 -3.950 1.00 1.89 C ATOM 572 CG GLU A 38 -13.448 -16.172 -3.782 1.00 2.40 C ATOM 573 CD GLU A 38 -13.776 -16.539 -2.342 1.00 3.35 C ATOM 574 OE1 GLU A 38 -12.809 -16.883 -1.624 1.00 4.49 O ATOM 575 OE2 GLU A 38 -14.966 -16.443 -1.981 1.00 3.64 O ATOM 0 H GLU A 38 -11.581 -15.205 -6.634 1.00 1.92 H new ATOM 0 HA GLU A 38 -13.630 -14.846 -5.968 1.00 1.59 H new ATOM 0 HB2 GLU A 38 -12.637 -14.250 -3.233 1.00 1.89 H new ATOM 0 HB3 GLU A 38 -14.319 -14.199 -3.723 1.00 1.89 H new ATOM 0 HG2 GLU A 38 -14.216 -16.568 -4.447 1.00 2.40 H new ATOM 0 HG3 GLU A 38 -12.505 -16.634 -4.074 1.00 2.40 H new ATOM 582 N HIS A 39 -13.758 -11.923 -4.957 1.00 1.31 N ATOM 583 CA HIS A 39 -14.327 -10.673 -5.454 1.00 1.37 C ATOM 584 C HIS A 39 -13.231 -9.794 -6.049 1.00 1.22 C ATOM 585 O HIS A 39 -13.420 -9.194 -7.103 1.00 1.48 O ATOM 586 CB HIS A 39 -15.156 -9.962 -4.384 1.00 1.69 C ATOM 587 CG HIS A 39 -16.133 -10.868 -3.670 1.00 2.47 C ATOM 588 ND1 HIS A 39 -15.818 -11.825 -2.729 1.00 3.08 N ATOM 589 CD2 HIS A 39 -17.481 -10.939 -3.893 1.00 3.60 C ATOM 590 CE1 HIS A 39 -16.956 -12.456 -2.396 1.00 3.92 C ATOM 591 NE2 HIS A 39 -17.998 -11.948 -3.077 1.00 4.25 N ATOM 0 H HIS A 39 -13.860 -12.061 -3.952 1.00 1.31 H new ATOM 0 HA HIS A 39 -15.027 -10.902 -6.258 1.00 1.37 H new ATOM 0 HB2 HIS A 39 -14.483 -9.519 -3.650 1.00 1.69 H new ATOM 0 HB3 HIS A 39 -15.706 -9.143 -4.848 1.00 1.69 H new ATOM 0 HD1 HIS A 39 -14.889 -12.019 -2.354 1.00 3.08 H new ATOM 0 HD2 HIS A 39 -18.045 -10.324 -4.578 1.00 3.60 H new ATOM 0 HE1 HIS A 39 -17.025 -13.261 -1.679 1.00 3.92 H new ATOM 599 N THR A 40 -12.047 -9.819 -5.433 1.00 1.13 N ATOM 600 CA THR A 40 -10.827 -9.265 -5.988 1.00 1.36 C ATOM 601 C THR A 40 -10.669 -9.531 -7.494 1.00 1.28 C ATOM 602 O THR A 40 -10.295 -8.620 -8.239 1.00 1.66 O ATOM 603 CB THR A 40 -9.653 -9.755 -5.131 1.00 1.73 C ATOM 604 OG1 THR A 40 -8.460 -9.178 -5.599 1.00 2.37 O ATOM 605 CG2 THR A 40 -9.490 -11.275 -5.111 1.00 3.11 C ATOM 0 H THR A 40 -11.915 -10.237 -4.512 1.00 1.13 H new ATOM 0 HA THR A 40 -10.861 -8.177 -5.941 1.00 1.36 H new ATOM 0 HB THR A 40 -9.874 -9.448 -4.109 1.00 1.73 H new ATOM 0 HG1 THR A 40 -7.907 -9.868 -6.021 1.00 2.37 H new ATOM 0 HG21 THR A 40 -8.639 -11.541 -4.484 1.00 3.11 H new ATOM 0 HG22 THR A 40 -10.394 -11.733 -4.710 1.00 3.11 H new ATOM 0 HG23 THR A 40 -9.320 -11.636 -6.125 1.00 3.11 H new ATOM 613 N SER A 41 -10.893 -10.770 -7.924 1.00 1.11 N ATOM 614 CA SER A 41 -11.033 -11.172 -9.323 1.00 1.11 C ATOM 615 C SER A 41 -12.398 -10.782 -9.927 1.00 1.06 C ATOM 616 O SER A 41 -12.482 -10.043 -10.915 1.00 1.09 O ATOM 617 CB SER A 41 -10.739 -12.674 -9.437 1.00 1.30 C ATOM 618 OG SER A 41 -9.383 -12.913 -9.109 1.00 1.89 O ATOM 0 H SER A 41 -10.986 -11.556 -7.280 1.00 1.11 H new ATOM 0 HA SER A 41 -10.305 -10.623 -9.921 1.00 1.11 H new ATOM 0 HB2 SER A 41 -11.391 -13.235 -8.768 1.00 1.30 H new ATOM 0 HB3 SER A 41 -10.947 -13.021 -10.449 1.00 1.30 H new ATOM 0 HG SER A 41 -9.194 -13.872 -9.179 1.00 1.89 H new ATOM 624 N PHE A 42 -13.462 -11.350 -9.354 1.00 1.20 N ATOM 625 CA PHE A 42 -14.826 -11.429 -9.879 1.00 1.46 C ATOM 626 C PHE A 42 -15.469 -10.063 -10.125 1.00 1.62 C ATOM 627 O PHE A 42 -16.319 -9.934 -11.003 1.00 1.86 O ATOM 628 CB PHE A 42 -15.658 -12.334 -8.950 1.00 1.94 C ATOM 629 CG PHE A 42 -17.172 -12.222 -9.014 1.00 2.20 C ATOM 630 CD1 PHE A 42 -17.842 -12.307 -10.248 1.00 3.05 C ATOM 631 CD2 PHE A 42 -17.920 -12.054 -7.831 1.00 2.59 C ATOM 632 CE1 PHE A 42 -19.237 -12.149 -10.310 1.00 3.30 C ATOM 633 CE2 PHE A 42 -19.319 -11.924 -7.890 1.00 2.89 C ATOM 634 CZ PHE A 42 -19.977 -11.957 -9.131 1.00 2.86 C ATOM 0 H PHE A 42 -13.386 -11.800 -8.442 1.00 1.20 H new ATOM 0 HA PHE A 42 -14.791 -11.875 -10.873 1.00 1.46 H new ATOM 0 HB2 PHE A 42 -15.390 -13.369 -9.164 1.00 1.94 H new ATOM 0 HB3 PHE A 42 -15.351 -12.131 -7.924 1.00 1.94 H new ATOM 0 HD1 PHE A 42 -17.282 -12.495 -11.152 1.00 3.05 H new ATOM 0 HD2 PHE A 42 -17.417 -12.025 -6.876 1.00 2.59 H new ATOM 0 HE1 PHE A 42 -19.741 -12.175 -11.265 1.00 3.30 H new ATOM 0 HE2 PHE A 42 -19.888 -11.799 -6.981 1.00 2.89 H new ATOM 0 HZ PHE A 42 -21.049 -11.835 -9.179 1.00 2.86 H new ATOM 644 N ASP A 43 -15.040 -9.020 -9.410 1.00 1.61 N ATOM 645 CA ASP A 43 -15.457 -7.652 -9.701 1.00 1.81 C ATOM 646 C ASP A 43 -15.203 -7.307 -11.187 1.00 1.78 C ATOM 647 O ASP A 43 -15.938 -6.513 -11.772 1.00 2.20 O ATOM 648 CB ASP A 43 -14.766 -6.721 -8.696 1.00 1.96 C ATOM 649 CG ASP A 43 -15.327 -5.312 -8.643 1.00 2.10 C ATOM 650 OD1 ASP A 43 -16.106 -4.906 -9.527 1.00 2.59 O ATOM 651 OD2 ASP A 43 -14.990 -4.592 -7.685 1.00 2.75 O ATOM 0 H ASP A 43 -14.399 -9.101 -8.620 1.00 1.61 H new ATOM 0 HA ASP A 43 -16.532 -7.524 -9.574 1.00 1.81 H new ATOM 0 HB2 ASP A 43 -14.839 -7.164 -7.703 1.00 1.96 H new ATOM 0 HB3 ASP A 43 -13.706 -6.666 -8.943 1.00 1.96 H new ATOM 656 N LYS A 44 -14.219 -7.979 -11.812 1.00 1.59 N ATOM 657 CA LYS A 44 -13.931 -8.121 -13.240 1.00 1.74 C ATOM 658 C LYS A 44 -12.573 -7.496 -13.481 1.00 1.63 C ATOM 659 O LYS A 44 -12.430 -6.529 -14.228 1.00 2.00 O ATOM 660 CB LYS A 44 -15.018 -7.611 -14.200 1.00 2.29 C ATOM 661 CG LYS A 44 -16.239 -8.547 -14.166 1.00 3.50 C ATOM 662 CD LYS A 44 -17.625 -7.892 -14.054 1.00 4.08 C ATOM 663 CE LYS A 44 -18.010 -6.965 -15.214 1.00 4.11 C ATOM 664 NZ LYS A 44 -17.226 -5.716 -15.211 1.00 3.65 N ATOM 0 H LYS A 44 -13.532 -8.492 -11.260 1.00 1.59 H new ATOM 0 HA LYS A 44 -13.922 -9.184 -13.482 1.00 1.74 H new ATOM 0 HB2 LYS A 44 -15.317 -6.601 -13.919 1.00 2.29 H new ATOM 0 HB3 LYS A 44 -14.621 -7.556 -15.214 1.00 2.29 H new ATOM 0 HG2 LYS A 44 -16.225 -9.154 -15.071 1.00 3.50 H new ATOM 0 HG3 LYS A 44 -16.119 -9.228 -13.324 1.00 3.50 H new ATOM 0 HD2 LYS A 44 -18.375 -8.679 -13.976 1.00 4.08 H new ATOM 0 HD3 LYS A 44 -17.664 -7.321 -13.126 1.00 4.08 H new ATOM 0 HE2 LYS A 44 -17.857 -7.486 -16.159 1.00 4.11 H new ATOM 0 HE3 LYS A 44 -19.072 -6.726 -15.149 1.00 4.11 H new ATOM 0 HZ1 LYS A 44 -17.761 -4.969 -15.698 1.00 3.65 H new ATOM 0 HZ2 LYS A 44 -17.040 -5.426 -14.230 1.00 3.65 H new ATOM 0 HZ3 LYS A 44 -16.323 -5.872 -15.703 1.00 3.65 H new ATOM 678 N LEU A 45 -11.584 -8.079 -12.806 1.00 1.40 N ATOM 679 CA LEU A 45 -10.190 -7.717 -12.913 1.00 1.46 C ATOM 680 C LEU A 45 -9.423 -8.957 -13.388 1.00 1.44 C ATOM 681 O LEU A 45 -9.827 -10.075 -13.075 1.00 2.09 O ATOM 682 CB LEU A 45 -9.686 -7.152 -11.577 1.00 1.58 C ATOM 683 CG LEU A 45 -10.404 -5.832 -11.232 1.00 1.61 C ATOM 684 CD1 LEU A 45 -11.528 -6.080 -10.230 1.00 2.29 C ATOM 685 CD2 LEU A 45 -9.444 -4.799 -10.640 1.00 2.12 C ATOM 0 H LEU A 45 -11.747 -8.842 -12.149 1.00 1.40 H new ATOM 0 HA LEU A 45 -10.033 -6.922 -13.642 1.00 1.46 H new ATOM 0 HB2 LEU A 45 -9.854 -7.880 -10.783 1.00 1.58 H new ATOM 0 HB3 LEU A 45 -8.611 -6.982 -11.632 1.00 1.58 H new ATOM 0 HG LEU A 45 -10.810 -5.441 -12.165 1.00 1.61 H new ATOM 0 HD11 LEU A 45 -12.023 -5.137 -9.998 1.00 2.29 H new ATOM 0 HD12 LEU A 45 -12.251 -6.774 -10.659 1.00 2.29 H new ATOM 0 HD13 LEU A 45 -11.114 -6.506 -9.316 1.00 2.29 H new ATOM 0 HD21 LEU A 45 -9.990 -3.884 -10.411 1.00 2.12 H new ATOM 0 HD22 LEU A 45 -9.001 -5.195 -9.726 1.00 2.12 H new ATOM 0 HD23 LEU A 45 -8.655 -4.580 -11.360 1.00 2.12 H new ATOM 697 N PRO A 46 -8.378 -8.760 -14.202 1.00 1.15 N ATOM 698 CA PRO A 46 -7.712 -9.804 -14.971 1.00 1.42 C ATOM 699 C PRO A 46 -6.915 -10.770 -14.097 1.00 1.35 C ATOM 700 O PRO A 46 -6.831 -10.611 -12.887 1.00 1.41 O ATOM 701 CB PRO A 46 -6.780 -9.052 -15.933 1.00 1.86 C ATOM 702 CG PRO A 46 -6.518 -7.722 -15.229 1.00 1.92 C ATOM 703 CD PRO A 46 -7.861 -7.453 -14.558 1.00 1.47 C ATOM 0 HA PRO A 46 -8.443 -10.428 -15.486 1.00 1.42 H new ATOM 0 HB2 PRO A 46 -5.855 -9.602 -16.104 1.00 1.86 H new ATOM 0 HB3 PRO A 46 -7.247 -8.903 -16.907 1.00 1.86 H new ATOM 0 HG2 PRO A 46 -5.707 -7.796 -14.505 1.00 1.92 H new ATOM 0 HG3 PRO A 46 -6.247 -6.934 -15.932 1.00 1.92 H new ATOM 0 HD2 PRO A 46 -7.741 -6.824 -13.676 1.00 1.47 H new ATOM 0 HD3 PRO A 46 -8.540 -6.931 -15.232 1.00 1.47 H new ATOM 711 N GLU A 47 -6.253 -11.727 -14.751 1.00 1.87 N ATOM 712 CA GLU A 47 -5.266 -12.626 -14.168 1.00 2.31 C ATOM 713 C GLU A 47 -3.850 -12.039 -14.322 1.00 1.97 C ATOM 714 O GLU A 47 -2.868 -12.772 -14.418 1.00 2.69 O ATOM 715 CB GLU A 47 -5.407 -13.999 -14.850 1.00 3.25 C ATOM 716 CG GLU A 47 -5.463 -13.913 -16.387 1.00 3.62 C ATOM 717 CD GLU A 47 -5.341 -15.287 -17.031 1.00 4.66 C ATOM 718 OE1 GLU A 47 -4.545 -15.394 -17.988 1.00 5.47 O ATOM 719 OE2 GLU A 47 -6.063 -16.193 -16.564 1.00 5.23 O ATOM 0 H GLU A 47 -6.400 -11.901 -15.745 1.00 1.87 H new ATOM 0 HA GLU A 47 -5.436 -12.747 -13.098 1.00 2.31 H new ATOM 0 HB2 GLU A 47 -4.567 -14.630 -14.559 1.00 3.25 H new ATOM 0 HB3 GLU A 47 -6.312 -14.486 -14.487 1.00 3.25 H new ATOM 0 HG2 GLU A 47 -6.401 -13.450 -16.692 1.00 3.62 H new ATOM 0 HG3 GLU A 47 -4.659 -13.270 -16.745 1.00 3.62 H new ATOM 726 N GLY A 48 -3.735 -10.708 -14.381 1.00 1.46 N ATOM 727 CA GLY A 48 -2.494 -10.032 -14.708 1.00 1.74 C ATOM 728 C GLY A 48 -1.440 -10.129 -13.605 1.00 0.94 C ATOM 729 O GLY A 48 -1.729 -10.528 -12.481 1.00 1.79 O ATOM 0 H GLY A 48 -4.512 -10.073 -14.200 1.00 1.46 H new ATOM 0 HA2 GLY A 48 -2.088 -10.457 -15.626 1.00 1.74 H new ATOM 0 HA3 GLY A 48 -2.703 -8.981 -14.909 1.00 1.74 H new ATOM 733 N GLY A 49 -0.225 -9.691 -13.930 1.00 1.23 N ATOM 734 CA GLY A 49 0.946 -9.747 -13.054 1.00 0.93 C ATOM 735 C GLY A 49 1.226 -8.436 -12.307 1.00 0.93 C ATOM 736 O GLY A 49 2.013 -8.413 -11.368 1.00 1.55 O ATOM 0 H GLY A 49 -0.021 -9.274 -14.838 1.00 1.23 H new ATOM 0 HA2 GLY A 49 0.805 -10.546 -12.326 1.00 0.93 H new ATOM 0 HA3 GLY A 49 1.821 -10.009 -13.649 1.00 0.93 H new ATOM 740 N ARG A 50 0.615 -7.326 -12.728 1.00 0.71 N ATOM 741 CA ARG A 50 0.785 -6.014 -12.110 1.00 0.76 C ATOM 742 C ARG A 50 -0.449 -5.159 -12.358 1.00 0.85 C ATOM 743 O ARG A 50 -0.724 -4.817 -13.506 1.00 1.15 O ATOM 744 CB ARG A 50 2.035 -5.285 -12.631 1.00 0.90 C ATOM 745 CG ARG A 50 3.326 -5.897 -12.075 1.00 1.73 C ATOM 746 CD ARG A 50 4.493 -4.909 -12.111 1.00 2.39 C ATOM 747 NE ARG A 50 5.696 -5.539 -11.542 1.00 3.36 N ATOM 748 CZ ARG A 50 6.642 -4.957 -10.785 1.00 4.67 C ATOM 749 NH1 ARG A 50 6.533 -3.685 -10.386 1.00 5.41 N ATOM 750 NH2 ARG A 50 7.719 -5.667 -10.428 1.00 5.68 N ATOM 0 H ARG A 50 -0.023 -7.317 -13.523 1.00 0.71 H new ATOM 0 HA ARG A 50 0.918 -6.173 -11.040 1.00 0.76 H new ATOM 0 HB2 ARG A 50 2.053 -5.327 -13.720 1.00 0.90 H new ATOM 0 HB3 ARG A 50 1.983 -4.232 -12.354 1.00 0.90 H new ATOM 0 HG2 ARG A 50 3.159 -6.223 -11.048 1.00 1.73 H new ATOM 0 HG3 ARG A 50 3.585 -6.784 -12.653 1.00 1.73 H new ATOM 0 HD2 ARG A 50 4.686 -4.596 -13.137 1.00 2.39 H new ATOM 0 HD3 ARG A 50 4.240 -4.012 -11.547 1.00 2.39 H new ATOM 0 HE ARG A 50 5.826 -6.530 -11.745 1.00 3.36 H new ATOM 0 HH11 ARG A 50 5.718 -3.134 -10.656 1.00 5.41 H new ATOM 0 HH12 ARG A 50 7.265 -3.266 -9.812 1.00 5.41 H new ATOM 0 HH21 ARG A 50 7.814 -6.637 -10.730 1.00 5.68 H new ATOM 0 HH22 ARG A 50 8.445 -5.238 -9.854 1.00 5.68 H new ATOM 764 N ALA A 51 -1.156 -4.760 -11.294 1.00 1.04 N ATOM 765 CA ALA A 51 -2.001 -3.580 -11.376 1.00 0.95 C ATOM 766 C ALA A 51 -1.127 -2.338 -11.248 1.00 0.82 C ATOM 767 O ALA A 51 0.056 -2.412 -10.916 1.00 1.16 O ATOM 768 CB ALA A 51 -3.072 -3.556 -10.287 1.00 1.44 C ATOM 0 H ALA A 51 -1.156 -5.230 -10.389 1.00 1.04 H new ATOM 0 HA ALA A 51 -2.513 -3.601 -12.338 1.00 0.95 H new ATOM 0 HB1 ALA A 51 -3.677 -2.655 -10.391 1.00 1.44 H new ATOM 0 HB2 ALA A 51 -3.710 -4.435 -10.384 1.00 1.44 H new ATOM 0 HB3 ALA A 51 -2.595 -3.561 -9.307 1.00 1.44 H new ATOM 774 N THR A 52 -1.739 -1.189 -11.506 1.00 0.85 N ATOM 775 CA THR A 52 -1.065 0.078 -11.681 1.00 0.97 C ATOM 776 C THR A 52 -1.111 0.880 -10.366 1.00 1.27 C ATOM 777 O THR A 52 -1.610 1.997 -10.316 1.00 1.64 O ATOM 778 CB THR A 52 -1.636 0.746 -12.955 1.00 1.15 C ATOM 779 OG1 THR A 52 -1.254 2.105 -13.061 1.00 1.57 O ATOM 780 CG2 THR A 52 -3.125 0.460 -13.263 1.00 1.11 C ATOM 0 H THR A 52 -2.752 -1.118 -11.601 1.00 0.85 H new ATOM 0 HA THR A 52 0.005 -0.016 -11.868 1.00 0.97 H new ATOM 0 HB THR A 52 -1.149 0.229 -13.782 1.00 1.15 H new ATOM 0 HG1 THR A 52 -1.297 2.527 -12.177 1.00 1.57 H new ATOM 0 HG21 THR A 52 -3.414 0.979 -14.177 1.00 1.11 H new ATOM 0 HG22 THR A 52 -3.270 -0.612 -13.394 1.00 1.11 H new ATOM 0 HG23 THR A 52 -3.742 0.811 -12.436 1.00 1.11 H new ATOM 788 N TYR A 53 -0.522 0.356 -9.282 1.00 1.62 N ATOM 789 CA TYR A 53 -0.493 1.072 -8.000 1.00 2.07 C ATOM 790 C TYR A 53 0.561 2.186 -8.071 1.00 1.88 C ATOM 791 O TYR A 53 1.629 2.095 -7.470 1.00 2.23 O ATOM 792 CB TYR A 53 -0.183 0.129 -6.819 1.00 2.47 C ATOM 793 CG TYR A 53 -1.317 -0.628 -6.176 1.00 2.21 C ATOM 794 CD1 TYR A 53 -2.386 -1.116 -6.944 1.00 2.30 C ATOM 795 CD2 TYR A 53 -1.195 -1.001 -4.824 1.00 3.28 C ATOM 796 CE1 TYR A 53 -3.376 -1.898 -6.333 1.00 2.58 C ATOM 797 CE2 TYR A 53 -2.172 -1.806 -4.223 1.00 3.47 C ATOM 798 CZ TYR A 53 -3.272 -2.244 -4.972 1.00 2.77 C ATOM 799 OH TYR A 53 -4.096 -3.185 -4.431 1.00 3.35 O ATOM 0 H TYR A 53 -0.062 -0.554 -9.267 1.00 1.62 H new ATOM 0 HA TYR A 53 -1.481 1.497 -7.825 1.00 2.07 H new ATOM 0 HB2 TYR A 53 0.548 -0.602 -7.164 1.00 2.47 H new ATOM 0 HB3 TYR A 53 0.301 0.721 -6.042 1.00 2.47 H new ATOM 0 HD1 TYR A 53 -2.445 -0.890 -7.999 1.00 2.30 H new ATOM 0 HD2 TYR A 53 -0.345 -0.666 -4.248 1.00 3.28 H new ATOM 0 HE1 TYR A 53 -4.224 -2.237 -6.910 1.00 2.58 H new ATOM 0 HE2 TYR A 53 -2.077 -2.088 -3.185 1.00 3.47 H new ATOM 0 HH TYR A 53 -3.884 -3.298 -3.481 1.00 3.35 H new ATOM 809 N ARG A 54 0.248 3.247 -8.813 1.00 1.52 N ATOM 810 CA ARG A 54 1.041 4.459 -8.903 1.00 1.23 C ATOM 811 C ARG A 54 0.430 5.489 -7.961 1.00 0.93 C ATOM 812 O ARG A 54 -0.683 5.964 -8.195 1.00 1.10 O ATOM 813 CB ARG A 54 1.044 4.962 -10.349 1.00 1.62 C ATOM 814 CG ARG A 54 1.603 3.877 -11.279 1.00 2.06 C ATOM 815 CD ARG A 54 2.170 4.497 -12.555 1.00 2.22 C ATOM 816 NE ARG A 54 1.138 5.289 -13.245 1.00 2.56 N ATOM 817 CZ ARG A 54 1.377 6.299 -14.097 1.00 3.13 C ATOM 818 NH1 ARG A 54 2.632 6.560 -14.482 1.00 3.17 N ATOM 819 NH2 ARG A 54 0.361 7.040 -14.554 1.00 4.37 N ATOM 0 H ARG A 54 -0.595 3.282 -9.386 1.00 1.52 H new ATOM 0 HA ARG A 54 2.075 4.274 -8.614 1.00 1.23 H new ATOM 0 HB2 ARG A 54 0.031 5.227 -10.653 1.00 1.62 H new ATOM 0 HB3 ARG A 54 1.647 5.866 -10.427 1.00 1.62 H new ATOM 0 HG2 ARG A 54 2.383 3.316 -10.764 1.00 2.06 H new ATOM 0 HG3 ARG A 54 0.815 3.168 -11.533 1.00 2.06 H new ATOM 0 HD2 ARG A 54 3.022 5.132 -12.311 1.00 2.22 H new ATOM 0 HD3 ARG A 54 2.537 3.712 -13.216 1.00 2.22 H new ATOM 0 HE ARG A 54 0.163 5.051 -13.061 1.00 2.56 H new ATOM 0 HH11 ARG A 54 3.402 5.993 -14.128 1.00 3.17 H new ATOM 0 HH12 ARG A 54 2.818 7.326 -15.129 1.00 3.17 H new ATOM 0 HH21 ARG A 54 -0.593 6.837 -14.255 1.00 4.37 H new ATOM 0 HH22 ARG A 54 0.540 7.808 -15.201 1.00 4.37 H new ATOM 833 N GLY A 55 1.123 5.816 -6.870 1.00 0.70 N ATOM 834 CA GLY A 55 0.510 6.670 -5.872 1.00 0.59 C ATOM 835 C GLY A 55 1.480 7.205 -4.840 1.00 0.51 C ATOM 836 O GLY A 55 2.696 7.206 -5.039 1.00 0.55 O ATOM 0 H GLY A 55 2.075 5.512 -6.665 1.00 0.70 H new ATOM 0 HA2 GLY A 55 0.029 7.510 -6.373 1.00 0.59 H new ATOM 0 HA3 GLY A 55 -0.275 6.111 -5.363 1.00 0.59 H new ATOM 840 N THR A 56 0.899 7.658 -3.731 1.00 0.61 N ATOM 841 CA THR A 56 1.562 8.305 -2.623 1.00 0.75 C ATOM 842 C THR A 56 1.192 7.573 -1.334 1.00 0.90 C ATOM 843 O THR A 56 0.047 7.166 -1.144 1.00 1.26 O ATOM 844 CB THR A 56 1.144 9.783 -2.567 1.00 1.09 C ATOM 845 OG1 THR A 56 -0.256 9.921 -2.414 1.00 2.39 O ATOM 846 CG2 THR A 56 1.574 10.535 -3.829 1.00 1.47 C ATOM 0 H THR A 56 -0.107 7.574 -3.582 1.00 0.61 H new ATOM 0 HA THR A 56 2.644 8.267 -2.749 1.00 0.75 H new ATOM 0 HB THR A 56 1.647 10.212 -1.700 1.00 1.09 H new ATOM 0 HG1 THR A 56 -0.710 9.193 -2.888 1.00 2.39 H new ATOM 0 HG21 THR A 56 1.262 11.577 -3.756 1.00 1.47 H new ATOM 0 HG22 THR A 56 2.658 10.487 -3.930 1.00 1.47 H new ATOM 0 HG23 THR A 56 1.108 10.078 -4.702 1.00 1.47 H new ATOM 854 N ALA A 57 2.187 7.417 -0.468 1.00 0.82 N ATOM 855 CA ALA A 57 2.096 7.048 0.927 1.00 0.90 C ATOM 856 C ALA A 57 2.619 8.265 1.692 1.00 0.90 C ATOM 857 O ALA A 57 3.742 8.256 2.195 1.00 1.09 O ATOM 858 CB ALA A 57 2.957 5.805 1.162 1.00 0.92 C ATOM 0 H ALA A 57 3.156 7.559 -0.755 1.00 0.82 H new ATOM 0 HA ALA A 57 1.086 6.799 1.252 1.00 0.90 H new ATOM 0 HB1 ALA A 57 2.898 5.515 2.211 1.00 0.92 H new ATOM 0 HB2 ALA A 57 2.594 4.988 0.538 1.00 0.92 H new ATOM 0 HB3 ALA A 57 3.993 6.026 0.904 1.00 0.92 H new ATOM 864 N PHE A 58 1.825 9.337 1.702 1.00 0.80 N ATOM 865 CA PHE A 58 2.231 10.641 2.218 1.00 0.80 C ATOM 866 C PHE A 58 2.041 10.683 3.723 1.00 0.69 C ATOM 867 O PHE A 58 1.067 10.156 4.253 1.00 0.70 O ATOM 868 CB PHE A 58 1.523 11.777 1.481 1.00 0.94 C ATOM 869 CG PHE A 58 0.036 11.893 1.750 1.00 1.01 C ATOM 870 CD1 PHE A 58 -0.900 11.246 0.923 1.00 2.31 C ATOM 871 CD2 PHE A 58 -0.407 12.635 2.859 1.00 1.58 C ATOM 872 CE1 PHE A 58 -2.274 11.342 1.207 1.00 2.49 C ATOM 873 CE2 PHE A 58 -1.776 12.714 3.157 1.00 1.60 C ATOM 874 CZ PHE A 58 -2.714 12.080 2.321 1.00 1.39 C ATOM 0 H PHE A 58 0.869 9.321 1.347 1.00 0.80 H new ATOM 0 HA PHE A 58 3.294 10.791 2.027 1.00 0.80 H new ATOM 0 HB2 PHE A 58 2.000 12.718 1.754 1.00 0.94 H new ATOM 0 HB3 PHE A 58 1.673 11.643 0.410 1.00 0.94 H new ATOM 0 HD1 PHE A 58 -0.563 10.676 0.070 1.00 2.31 H new ATOM 0 HD2 PHE A 58 0.310 13.147 3.484 1.00 1.58 H new ATOM 0 HE1 PHE A 58 -2.992 10.849 0.569 1.00 2.49 H new ATOM 0 HE2 PHE A 58 -2.109 13.261 4.027 1.00 1.60 H new ATOM 0 HZ PHE A 58 -3.770 12.160 2.534 1.00 1.39 H new ATOM 884 N GLY A 59 2.996 11.283 4.421 1.00 0.67 N ATOM 885 CA GLY A 59 3.009 11.256 5.872 1.00 0.69 C ATOM 886 C GLY A 59 1.996 12.255 6.422 1.00 0.82 C ATOM 887 O GLY A 59 1.603 13.187 5.725 1.00 0.94 O ATOM 0 H GLY A 59 3.772 11.795 4.002 1.00 0.67 H new ATOM 0 HA2 GLY A 59 2.773 10.253 6.227 1.00 0.69 H new ATOM 0 HA3 GLY A 59 4.006 11.497 6.239 1.00 0.69 H new ATOM 891 N SER A 60 1.636 12.134 7.702 1.00 0.91 N ATOM 892 CA SER A 60 0.908 13.193 8.397 1.00 1.09 C ATOM 893 C SER A 60 1.662 14.528 8.284 1.00 1.09 C ATOM 894 O SER A 60 1.048 15.591 8.273 1.00 1.33 O ATOM 895 CB SER A 60 0.707 12.807 9.867 1.00 1.18 C ATOM 896 OG SER A 60 -0.235 13.663 10.487 1.00 1.67 O ATOM 0 H SER A 60 1.837 11.315 8.275 1.00 0.91 H new ATOM 0 HA SER A 60 -0.069 13.316 7.930 1.00 1.09 H new ATOM 0 HB2 SER A 60 0.365 11.774 9.933 1.00 1.18 H new ATOM 0 HB3 SER A 60 1.659 12.862 10.396 1.00 1.18 H new ATOM 0 HG SER A 60 -0.350 13.399 11.424 1.00 1.67 H new ATOM 902 N ASP A 61 2.995 14.444 8.225 1.00 0.96 N ATOM 903 CA ASP A 61 3.930 15.554 8.081 1.00 1.08 C ATOM 904 C ASP A 61 4.248 15.850 6.602 1.00 1.06 C ATOM 905 O ASP A 61 5.073 16.706 6.300 1.00 1.20 O ATOM 906 CB ASP A 61 5.203 15.123 8.830 1.00 1.19 C ATOM 907 CG ASP A 61 6.256 16.218 8.920 1.00 1.48 C ATOM 908 OD1 ASP A 61 5.909 17.293 9.454 1.00 2.36 O ATOM 909 OD2 ASP A 61 7.404 15.933 8.511 1.00 2.31 O ATOM 0 H ASP A 61 3.474 13.545 8.280 1.00 0.96 H new ATOM 0 HA ASP A 61 3.505 16.473 8.486 1.00 1.08 H new ATOM 0 HB2 ASP A 61 4.932 14.807 9.837 1.00 1.19 H new ATOM 0 HB3 ASP A 61 5.634 14.256 8.329 1.00 1.19 H new ATOM 914 N ASP A 62 3.670 15.079 5.670 1.00 0.98 N ATOM 915 CA ASP A 62 4.374 14.560 4.521 1.00 0.97 C ATOM 916 C ASP A 62 5.897 14.556 4.579 1.00 0.93 C ATOM 917 O ASP A 62 6.591 15.166 3.766 1.00 1.14 O ATOM 918 CB ASP A 62 3.791 14.931 3.158 1.00 1.42 C ATOM 919 CG ASP A 62 4.262 13.912 2.125 1.00 2.02 C ATOM 920 OD1 ASP A 62 4.158 14.221 0.920 1.00 2.57 O ATOM 921 OD2 ASP A 62 4.654 12.800 2.558 1.00 3.25 O ATOM 0 H ASP A 62 2.689 14.803 5.706 1.00 0.98 H new ATOM 0 HA ASP A 62 4.144 13.500 4.624 1.00 0.97 H new ATOM 0 HB2 ASP A 62 2.702 14.944 3.205 1.00 1.42 H new ATOM 0 HB3 ASP A 62 4.110 15.933 2.872 1.00 1.42 H new ATOM 926 N ALA A 63 6.394 13.719 5.486 1.00 0.86 N ATOM 927 CA ALA A 63 7.657 13.037 5.292 1.00 0.88 C ATOM 928 C ALA A 63 7.324 11.592 4.925 1.00 0.74 C ATOM 929 O ALA A 63 7.788 10.657 5.572 1.00 0.81 O ATOM 930 CB ALA A 63 8.435 13.116 6.601 1.00 1.02 C ATOM 0 H ALA A 63 5.931 13.500 6.368 1.00 0.86 H new ATOM 0 HA ALA A 63 8.265 13.481 4.503 1.00 0.88 H new ATOM 0 HB1 ALA A 63 9.393 12.610 6.486 1.00 1.02 H new ATOM 0 HB2 ALA A 63 8.606 14.161 6.860 1.00 1.02 H new ATOM 0 HB3 ALA A 63 7.863 12.634 7.394 1.00 1.02 H new ATOM 936 N GLY A 64 6.524 11.418 3.875 1.00 0.70 N ATOM 937 CA GLY A 64 6.065 10.144 3.366 1.00 0.66 C ATOM 938 C GLY A 64 6.702 9.886 2.001 1.00 0.62 C ATOM 939 O GLY A 64 7.558 10.650 1.554 1.00 0.96 O ATOM 0 H GLY A 64 6.165 12.206 3.335 1.00 0.70 H new ATOM 0 HA2 GLY A 64 6.329 9.346 4.060 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.978 10.144 3.279 1.00 0.66 H new ATOM 943 N GLY A 65 6.368 8.747 1.392 1.00 0.61 N ATOM 944 CA GLY A 65 7.013 8.196 0.211 1.00 0.67 C ATOM 945 C GLY A 65 6.003 7.838 -0.863 1.00 0.54 C ATOM 946 O GLY A 65 4.813 8.096 -0.729 1.00 0.70 O ATOM 0 H GLY A 65 5.604 8.161 1.729 1.00 0.61 H new ATOM 0 HA2 GLY A 65 7.725 8.919 -0.186 1.00 0.67 H new ATOM 0 HA3 GLY A 65 7.581 7.308 0.487 1.00 0.67 H new ATOM 950 N LYS A 66 6.500 7.304 -1.975 1.00 0.56 N ATOM 951 CA LYS A 66 5.688 6.911 -3.115 1.00 0.62 C ATOM 952 C LYS A 66 5.005 5.563 -2.860 1.00 0.67 C ATOM 953 O LYS A 66 5.340 4.859 -1.912 1.00 1.31 O ATOM 954 CB LYS A 66 6.619 6.795 -4.325 1.00 1.01 C ATOM 955 CG LYS A 66 7.241 8.156 -4.656 1.00 1.24 C ATOM 956 CD LYS A 66 8.368 8.026 -5.697 1.00 1.78 C ATOM 957 CE LYS A 66 9.692 7.492 -5.110 1.00 2.33 C ATOM 958 NZ LYS A 66 9.889 6.029 -5.203 1.00 3.78 N ATOM 0 H LYS A 66 7.496 7.131 -2.108 1.00 0.56 H new ATOM 0 HA LYS A 66 4.908 7.652 -3.288 1.00 0.62 H new ATOM 0 HB2 LYS A 66 7.406 6.070 -4.118 1.00 1.01 H new ATOM 0 HB3 LYS A 66 6.062 6.424 -5.185 1.00 1.01 H new ATOM 0 HG2 LYS A 66 6.470 8.826 -5.036 1.00 1.24 H new ATOM 0 HG3 LYS A 66 7.636 8.607 -3.746 1.00 1.24 H new ATOM 0 HD2 LYS A 66 8.039 7.360 -6.495 1.00 1.78 H new ATOM 0 HD3 LYS A 66 8.548 9.001 -6.149 1.00 1.78 H new ATOM 0 HE2 LYS A 66 10.520 7.985 -5.620 1.00 2.33 H new ATOM 0 HE3 LYS A 66 9.746 7.782 -4.061 1.00 2.33 H new ATOM 0 HZ1 LYS A 66 10.414 5.696 -4.370 1.00 3.78 H new ATOM 0 HZ2 LYS A 66 8.964 5.556 -5.241 1.00 3.78 H new ATOM 0 HZ3 LYS A 66 10.428 5.805 -6.064 1.00 3.78 H new ATOM 972 N LEU A 67 4.087 5.193 -3.753 1.00 0.56 N ATOM 973 CA LEU A 67 3.547 3.850 -3.889 1.00 0.58 C ATOM 974 C LEU A 67 3.944 3.354 -5.281 1.00 0.60 C ATOM 975 O LEU A 67 3.630 4.012 -6.275 1.00 0.91 O ATOM 976 CB LEU A 67 2.024 3.896 -3.724 1.00 0.68 C ATOM 977 CG LEU A 67 1.381 2.503 -3.684 1.00 0.76 C ATOM 978 CD1 LEU A 67 1.536 1.861 -2.302 1.00 0.88 C ATOM 979 CD2 LEU A 67 -0.105 2.647 -4.013 1.00 0.93 C ATOM 0 H LEU A 67 3.687 5.849 -4.424 1.00 0.56 H new ATOM 0 HA LEU A 67 3.937 3.174 -3.128 1.00 0.58 H new ATOM 0 HB2 LEU A 67 1.780 4.429 -2.805 1.00 0.68 H new ATOM 0 HB3 LEU A 67 1.592 4.466 -4.547 1.00 0.68 H new ATOM 0 HG LEU A 67 1.878 1.862 -4.412 1.00 0.76 H new ATOM 0 HD11 LEU A 67 1.071 0.875 -2.304 1.00 0.88 H new ATOM 0 HD12 LEU A 67 2.595 1.762 -2.064 1.00 0.88 H new ATOM 0 HD13 LEU A 67 1.053 2.488 -1.553 1.00 0.88 H new ATOM 0 HD21 LEU A 67 -0.580 1.666 -3.989 1.00 0.93 H new ATOM 0 HD22 LEU A 67 -0.579 3.297 -3.278 1.00 0.93 H new ATOM 0 HD23 LEU A 67 -0.217 3.081 -5.007 1.00 0.93 H new ATOM 991 N THR A 68 4.680 2.238 -5.332 1.00 0.63 N ATOM 992 CA THR A 68 5.226 1.621 -6.531 1.00 0.72 C ATOM 993 C THR A 68 4.315 0.488 -7.006 1.00 0.80 C ATOM 994 O THR A 68 3.852 -0.299 -6.184 1.00 0.98 O ATOM 995 CB THR A 68 6.605 1.061 -6.164 1.00 0.99 C ATOM 996 OG1 THR A 68 6.477 0.269 -4.995 1.00 2.44 O ATOM 997 CG2 THR A 68 7.591 2.203 -5.899 1.00 1.73 C ATOM 0 H THR A 68 4.920 1.718 -4.488 1.00 0.63 H new ATOM 0 HA THR A 68 5.302 2.351 -7.337 1.00 0.72 H new ATOM 0 HB THR A 68 6.982 0.459 -6.991 1.00 0.99 H new ATOM 0 HG1 THR A 68 7.242 -0.340 -4.927 1.00 2.44 H new ATOM 0 HG21 THR A 68 8.566 1.789 -5.640 1.00 1.73 H new ATOM 0 HG22 THR A 68 7.684 2.818 -6.794 1.00 1.73 H new ATOM 0 HG23 THR A 68 7.226 2.815 -5.075 1.00 1.73 H new ATOM 1005 N TYR A 69 4.106 0.359 -8.319 1.00 0.81 N ATOM 1006 CA TYR A 69 3.061 -0.508 -8.841 1.00 0.85 C ATOM 1007 C TYR A 69 3.461 -1.989 -8.834 1.00 0.80 C ATOM 1008 O TYR A 69 4.343 -2.400 -9.590 1.00 0.86 O ATOM 1009 CB TYR A 69 2.565 -0.004 -10.203 1.00 0.87 C ATOM 1010 CG TYR A 69 3.556 -0.046 -11.349 1.00 0.91 C ATOM 1011 CD1 TYR A 69 3.516 -1.110 -12.271 1.00 2.12 C ATOM 1012 CD2 TYR A 69 4.462 1.013 -11.545 1.00 1.75 C ATOM 1013 CE1 TYR A 69 4.409 -1.139 -13.356 1.00 2.22 C ATOM 1014 CE2 TYR A 69 5.352 0.985 -12.632 1.00 1.80 C ATOM 1015 CZ TYR A 69 5.326 -0.090 -13.536 1.00 1.20 C ATOM 1016 OH TYR A 69 6.184 -0.099 -14.594 1.00 1.46 O ATOM 0 H TYR A 69 4.648 0.845 -9.034 1.00 0.81 H new ATOM 0 HA TYR A 69 2.210 -0.455 -8.161 1.00 0.85 H new ATOM 0 HB2 TYR A 69 1.693 -0.593 -10.486 1.00 0.87 H new ATOM 0 HB3 TYR A 69 2.229 1.026 -10.082 1.00 0.87 H new ATOM 0 HD1 TYR A 69 2.797 -1.906 -12.144 1.00 2.12 H new ATOM 0 HD2 TYR A 69 4.473 1.848 -10.860 1.00 1.75 H new ATOM 0 HE1 TYR A 69 4.390 -1.966 -14.050 1.00 2.22 H new ATOM 0 HE2 TYR A 69 6.057 1.791 -12.773 1.00 1.80 H new ATOM 0 HH TYR A 69 6.747 0.703 -14.565 1.00 1.46 H new ATOM 1026 N THR A 70 2.863 -2.792 -7.946 1.00 0.76 N ATOM 1027 CA THR A 70 3.079 -4.236 -7.840 1.00 0.77 C ATOM 1028 C THR A 70 1.860 -4.911 -7.191 1.00 0.73 C ATOM 1029 O THR A 70 1.789 -4.964 -5.964 1.00 0.74 O ATOM 1030 CB THR A 70 4.356 -4.518 -7.016 1.00 0.90 C ATOM 1031 OG1 THR A 70 5.493 -3.988 -7.672 1.00 1.15 O ATOM 1032 CG2 THR A 70 4.614 -6.020 -6.844 1.00 1.04 C ATOM 0 H THR A 70 2.194 -2.441 -7.260 1.00 0.76 H new ATOM 0 HA THR A 70 3.209 -4.649 -8.840 1.00 0.77 H new ATOM 0 HB THR A 70 4.196 -4.053 -6.043 1.00 0.90 H new ATOM 0 HG1 THR A 70 6.294 -4.172 -7.138 1.00 1.15 H new ATOM 0 HG21 THR A 70 5.521 -6.169 -6.259 1.00 1.04 H new ATOM 0 HG22 THR A 70 3.770 -6.477 -6.328 1.00 1.04 H new ATOM 0 HG23 THR A 70 4.734 -6.483 -7.823 1.00 1.04 H new ATOM 1040 N ILE A 71 0.927 -5.455 -7.992 1.00 0.75 N ATOM 1041 CA ILE A 71 -0.020 -6.485 -7.549 1.00 0.81 C ATOM 1042 C ILE A 71 -0.169 -7.528 -8.661 1.00 0.84 C ATOM 1043 O ILE A 71 -0.673 -7.217 -9.737 1.00 1.11 O ATOM 1044 CB ILE A 71 -1.396 -5.931 -7.069 1.00 0.87 C ATOM 1045 CG1 ILE A 71 -2.563 -6.099 -8.061 1.00 1.06 C ATOM 1046 CG2 ILE A 71 -1.308 -4.454 -6.666 1.00 0.98 C ATOM 1047 CD1 ILE A 71 -3.862 -5.406 -7.650 1.00 1.25 C ATOM 0 H ILE A 71 0.811 -5.189 -8.970 1.00 0.75 H new ATOM 0 HA ILE A 71 0.395 -6.952 -6.656 1.00 0.81 H new ATOM 0 HB ILE A 71 -1.625 -6.556 -6.206 1.00 0.87 H new ATOM 0 HG12 ILE A 71 -2.254 -5.713 -9.032 1.00 1.06 H new ATOM 0 HG13 ILE A 71 -2.761 -7.163 -8.190 1.00 1.06 H new ATOM 0 HG21 ILE A 71 -2.288 -4.107 -6.338 1.00 0.98 H new ATOM 0 HG22 ILE A 71 -0.592 -4.341 -5.852 1.00 0.98 H new ATOM 0 HG23 ILE A 71 -0.982 -3.862 -7.521 1.00 0.98 H new ATOM 0 HD11 ILE A 71 -4.624 -5.581 -8.410 1.00 1.25 H new ATOM 0 HD12 ILE A 71 -4.202 -5.808 -6.696 1.00 1.25 H new ATOM 0 HD13 ILE A 71 -3.687 -4.335 -7.551 1.00 1.25 H new ATOM 1059 N ASP A 72 0.240 -8.767 -8.410 1.00 0.90 N ATOM 1060 CA ASP A 72 -0.154 -9.892 -9.237 1.00 0.87 C ATOM 1061 C ASP A 72 -1.634 -10.132 -8.964 1.00 0.82 C ATOM 1062 O ASP A 72 -2.008 -10.436 -7.835 1.00 0.93 O ATOM 1063 CB ASP A 72 0.700 -11.105 -8.878 1.00 0.95 C ATOM 1064 CG ASP A 72 2.142 -10.940 -9.332 1.00 2.30 C ATOM 1065 OD1 ASP A 72 2.460 -11.461 -10.422 1.00 3.33 O ATOM 1066 OD2 ASP A 72 2.893 -10.298 -8.564 1.00 3.22 O ATOM 0 H ASP A 72 0.850 -9.015 -7.631 1.00 0.90 H new ATOM 0 HA ASP A 72 -0.003 -9.701 -10.299 1.00 0.87 H new ATOM 0 HB2 ASP A 72 0.675 -11.260 -7.799 1.00 0.95 H new ATOM 0 HB3 ASP A 72 0.275 -11.997 -9.338 1.00 0.95 H new ATOM 1071 N PHE A 73 -2.490 -9.933 -9.963 1.00 0.86 N ATOM 1072 CA PHE A 73 -3.936 -9.937 -9.801 1.00 0.83 C ATOM 1073 C PHE A 73 -4.468 -11.237 -9.236 1.00 0.93 C ATOM 1074 O PHE A 73 -5.377 -11.205 -8.412 1.00 1.26 O ATOM 1075 CB PHE A 73 -4.658 -9.680 -11.119 1.00 0.90 C ATOM 1076 CG PHE A 73 -4.743 -8.226 -11.496 1.00 0.97 C ATOM 1077 CD1 PHE A 73 -3.715 -7.613 -12.227 1.00 2.00 C ATOM 1078 CD2 PHE A 73 -5.847 -7.473 -11.070 1.00 1.98 C ATOM 1079 CE1 PHE A 73 -3.866 -6.292 -12.666 1.00 2.13 C ATOM 1080 CE2 PHE A 73 -5.933 -6.116 -11.404 1.00 2.17 C ATOM 1081 CZ PHE A 73 -4.990 -5.544 -12.274 1.00 1.52 C ATOM 0 H PHE A 73 -2.190 -9.762 -10.923 1.00 0.86 H new ATOM 0 HA PHE A 73 -4.134 -9.131 -9.094 1.00 0.83 H new ATOM 0 HB2 PHE A 73 -4.145 -10.222 -11.914 1.00 0.90 H new ATOM 0 HB3 PHE A 73 -5.667 -10.088 -11.055 1.00 0.90 H new ATOM 0 HD1 PHE A 73 -2.810 -8.158 -12.451 1.00 2.00 H new ATOM 0 HD2 PHE A 73 -6.628 -7.938 -10.487 1.00 1.98 H new ATOM 0 HE1 PHE A 73 -3.118 -5.847 -13.306 1.00 2.13 H new ATOM 0 HE2 PHE A 73 -6.725 -5.508 -10.992 1.00 2.17 H new ATOM 0 HZ PHE A 73 -5.127 -4.537 -12.639 1.00 1.52 H new ATOM 1091 N ALA A 74 -3.936 -12.358 -9.729 1.00 0.97 N ATOM 1092 CA ALA A 74 -4.448 -13.697 -9.470 1.00 1.16 C ATOM 1093 C ALA A 74 -4.818 -13.888 -7.996 1.00 1.13 C ATOM 1094 O ALA A 74 -5.876 -14.433 -7.690 1.00 1.22 O ATOM 1095 CB ALA A 74 -3.404 -14.719 -9.929 1.00 1.43 C ATOM 0 H ALA A 74 -3.116 -12.354 -10.335 1.00 0.97 H new ATOM 0 HA ALA A 74 -5.369 -13.845 -10.034 1.00 1.16 H new ATOM 0 HB1 ALA A 74 -3.774 -15.727 -9.741 1.00 1.43 H new ATOM 0 HB2 ALA A 74 -3.217 -14.594 -10.996 1.00 1.43 H new ATOM 0 HB3 ALA A 74 -2.477 -14.564 -9.378 1.00 1.43 H new ATOM 1101 N ALA A 75 -3.948 -13.389 -7.111 1.00 1.16 N ATOM 1102 CA ALA A 75 -4.140 -13.425 -5.656 1.00 1.24 C ATOM 1103 C ALA A 75 -4.090 -12.036 -5.001 1.00 1.17 C ATOM 1104 O ALA A 75 -4.574 -11.871 -3.883 1.00 1.33 O ATOM 1105 CB ALA A 75 -3.154 -14.395 -5.006 1.00 1.37 C ATOM 0 H ALA A 75 -3.075 -12.941 -7.390 1.00 1.16 H new ATOM 0 HA ALA A 75 -5.151 -13.792 -5.482 1.00 1.24 H new ATOM 0 HB1 ALA A 75 -3.313 -14.407 -3.928 1.00 1.37 H new ATOM 0 HB2 ALA A 75 -3.311 -15.396 -5.407 1.00 1.37 H new ATOM 0 HB3 ALA A 75 -2.134 -14.074 -5.219 1.00 1.37 H new ATOM 1111 N LYS A 76 -3.572 -11.018 -5.701 1.00 1.02 N ATOM 1112 CA LYS A 76 -3.802 -9.618 -5.398 1.00 0.95 C ATOM 1113 C LYS A 76 -3.075 -9.174 -4.133 1.00 0.86 C ATOM 1114 O LYS A 76 -3.554 -8.354 -3.357 1.00 1.01 O ATOM 1115 CB LYS A 76 -5.299 -9.413 -5.381 1.00 1.29 C ATOM 1116 CG LYS A 76 -5.749 -7.992 -5.729 1.00 1.46 C ATOM 1117 CD LYS A 76 -6.077 -7.888 -7.227 1.00 2.78 C ATOM 1118 CE LYS A 76 -7.040 -6.725 -7.512 1.00 3.25 C ATOM 1119 NZ LYS A 76 -8.442 -7.070 -7.193 1.00 4.22 N ATOM 0 H LYS A 76 -2.968 -11.159 -6.511 1.00 1.02 H new ATOM 0 HA LYS A 76 -3.373 -8.968 -6.161 1.00 0.95 H new ATOM 0 HB2 LYS A 76 -5.756 -10.108 -6.085 1.00 1.29 H new ATOM 0 HB3 LYS A 76 -5.677 -9.668 -4.391 1.00 1.29 H new ATOM 0 HG2 LYS A 76 -6.626 -7.726 -5.139 1.00 1.46 H new ATOM 0 HG3 LYS A 76 -4.964 -7.281 -5.472 1.00 1.46 H new ATOM 0 HD2 LYS A 76 -5.156 -7.747 -7.793 1.00 2.78 H new ATOM 0 HD3 LYS A 76 -6.522 -8.822 -7.569 1.00 2.78 H new ATOM 0 HE2 LYS A 76 -6.740 -5.855 -6.928 1.00 3.25 H new ATOM 0 HE3 LYS A 76 -6.967 -6.444 -8.563 1.00 3.25 H new ATOM 0 HZ1 LYS A 76 -8.979 -6.200 -7.004 1.00 4.22 H new ATOM 0 HZ2 LYS A 76 -8.868 -7.572 -7.998 1.00 4.22 H new ATOM 0 HZ3 LYS A 76 -8.466 -7.681 -6.352 1.00 4.22 H new ATOM 1133 N GLN A 77 -1.858 -9.676 -3.990 1.00 1.04 N ATOM 1134 CA GLN A 77 -0.907 -9.402 -2.929 1.00 1.05 C ATOM 1135 C GLN A 77 -0.277 -8.017 -3.123 1.00 1.19 C ATOM 1136 O GLN A 77 0.939 -7.873 -3.205 1.00 1.90 O ATOM 1137 CB GLN A 77 0.118 -10.547 -2.890 1.00 1.44 C ATOM 1138 CG GLN A 77 0.752 -10.874 -4.257 1.00 1.12 C ATOM 1139 CD GLN A 77 0.075 -12.075 -4.923 1.00 1.40 C ATOM 1140 OE1 GLN A 77 -0.820 -11.871 -5.891 1.00 2.10 O flip ATOM 1141 NE2 GLN A 77 0.339 -13.211 -4.548 1.00 1.41 N flip ATOM 0 H GLN A 77 -1.482 -10.338 -4.669 1.00 1.04 H new ATOM 0 HA GLN A 77 -1.400 -9.366 -1.957 1.00 1.05 H new ATOM 0 HB2 GLN A 77 0.910 -10.287 -2.188 1.00 1.44 H new ATOM 0 HB3 GLN A 77 -0.369 -11.443 -2.504 1.00 1.44 H new ATOM 0 HG2 GLN A 77 0.676 -10.005 -4.911 1.00 1.12 H new ATOM 0 HG3 GLN A 77 1.814 -11.082 -4.125 1.00 1.12 H new ATOM 0 HE21 GLN A 77 1.025 -13.357 -3.807 1.00 1.41 H new ATOM 0 HE22 GLN A 77 -0.127 -14.011 -4.977 1.00 1.41 H new ATOM 1150 N GLY A 78 -1.121 -6.994 -3.247 1.00 1.12 N ATOM 1151 CA GLY A 78 -0.724 -5.686 -3.741 1.00 1.43 C ATOM 1152 C GLY A 78 -0.100 -4.801 -2.671 1.00 1.08 C ATOM 1153 O GLY A 78 -0.664 -4.690 -1.586 1.00 1.39 O ATOM 0 H GLY A 78 -2.110 -7.056 -3.003 1.00 1.12 H new ATOM 0 HA2 GLY A 78 -0.012 -5.814 -4.557 1.00 1.43 H new ATOM 0 HA3 GLY A 78 -1.597 -5.182 -4.156 1.00 1.43 H new ATOM 1157 N ASN A 79 1.040 -4.159 -2.958 1.00 0.72 N ATOM 1158 CA ASN A 79 1.740 -3.261 -2.039 1.00 0.80 C ATOM 1159 C ASN A 79 2.681 -2.390 -2.870 1.00 0.92 C ATOM 1160 O ASN A 79 2.889 -2.677 -4.050 1.00 1.50 O ATOM 1161 CB ASN A 79 2.548 -4.070 -1.009 1.00 1.01 C ATOM 1162 CG ASN A 79 1.898 -4.163 0.368 1.00 1.63 C ATOM 1163 OD1 ASN A 79 2.325 -3.521 1.314 1.00 3.32 O ATOM 1164 ND2 ASN A 79 0.879 -4.989 0.527 1.00 0.88 N ATOM 0 H ASN A 79 1.510 -4.254 -3.858 1.00 0.72 H new ATOM 0 HA ASN A 79 1.023 -2.645 -1.495 1.00 0.80 H new ATOM 0 HB2 ASN A 79 2.700 -5.078 -1.395 1.00 1.01 H new ATOM 0 HB3 ASN A 79 3.534 -3.618 -0.902 1.00 1.01 H new ATOM 0 HD21 ASN A 79 0.445 -5.093 1.444 1.00 0.88 H new ATOM 0 HD22 ASN A 79 0.527 -5.523 -0.267 1.00 0.88 H new ATOM 1171 N GLY A 80 3.254 -1.339 -2.271 1.00 0.65 N ATOM 1172 CA GLY A 80 4.279 -0.534 -2.916 1.00 0.65 C ATOM 1173 C GLY A 80 5.138 0.180 -1.881 1.00 0.75 C ATOM 1174 O GLY A 80 4.607 0.594 -0.860 1.00 0.93 O ATOM 0 H GLY A 80 3.016 -1.030 -1.329 1.00 0.65 H new ATOM 0 HA2 GLY A 80 4.907 -1.169 -3.540 1.00 0.65 H new ATOM 0 HA3 GLY A 80 3.812 0.198 -3.575 1.00 0.65 H new ATOM 1178 N LYS A 81 6.444 0.315 -2.131 1.00 0.81 N ATOM 1179 CA LYS A 81 7.410 0.751 -1.117 1.00 0.87 C ATOM 1180 C LYS A 81 7.737 2.247 -1.145 1.00 0.84 C ATOM 1181 O LYS A 81 7.821 2.863 -2.211 1.00 0.91 O ATOM 1182 CB LYS A 81 8.648 -0.156 -1.087 1.00 1.06 C ATOM 1183 CG LYS A 81 9.441 -0.433 -2.374 1.00 1.18 C ATOM 1184 CD LYS A 81 10.360 -1.622 -2.029 1.00 1.97 C ATOM 1185 CE LYS A 81 11.311 -2.113 -3.127 1.00 2.52 C ATOM 1186 NZ LYS A 81 12.527 -1.287 -3.253 1.00 3.48 N ATOM 0 H LYS A 81 6.862 0.125 -3.042 1.00 0.81 H new ATOM 0 HA LYS A 81 6.907 0.628 -0.158 1.00 0.87 H new ATOM 0 HB2 LYS A 81 9.344 0.273 -0.366 1.00 1.06 H new ATOM 0 HB3 LYS A 81 8.331 -1.120 -0.690 1.00 1.06 H new ATOM 0 HG2 LYS A 81 8.776 -0.676 -3.203 1.00 1.18 H new ATOM 0 HG3 LYS A 81 10.021 0.439 -2.676 1.00 1.18 H new ATOM 0 HD2 LYS A 81 10.959 -1.345 -1.162 1.00 1.97 H new ATOM 0 HD3 LYS A 81 9.731 -2.459 -1.728 1.00 1.97 H new ATOM 0 HE2 LYS A 81 11.599 -3.143 -2.916 1.00 2.52 H new ATOM 0 HE3 LYS A 81 10.783 -2.119 -4.081 1.00 2.52 H new ATOM 0 HZ1 LYS A 81 13.266 -1.830 -3.744 1.00 3.48 H new ATOM 0 HZ2 LYS A 81 12.309 -0.429 -3.798 1.00 3.48 H new ATOM 0 HZ3 LYS A 81 12.865 -1.020 -2.306 1.00 3.48 H new ATOM 1200 N ILE A 82 7.935 2.833 0.045 1.00 0.90 N ATOM 1201 CA ILE A 82 7.993 4.288 0.249 1.00 0.99 C ATOM 1202 C ILE A 82 9.438 4.741 0.039 1.00 1.00 C ATOM 1203 O ILE A 82 10.121 5.267 0.911 1.00 1.59 O ATOM 1204 CB ILE A 82 7.243 4.760 1.536 1.00 1.15 C ATOM 1205 CG1 ILE A 82 8.040 5.481 2.646 1.00 3.08 C ATOM 1206 CG2 ILE A 82 6.391 3.628 2.109 1.00 2.26 C ATOM 1207 CD1 ILE A 82 7.180 5.984 3.814 1.00 3.31 C ATOM 0 H ILE A 82 8.061 2.301 0.906 1.00 0.90 H new ATOM 0 HA ILE A 82 7.410 4.823 -0.501 1.00 0.99 H new ATOM 0 HB ILE A 82 6.625 5.573 1.155 1.00 1.15 H new ATOM 0 HG12 ILE A 82 8.797 4.800 3.034 1.00 3.08 H new ATOM 0 HG13 ILE A 82 8.568 6.328 2.207 1.00 3.08 H new ATOM 0 HG21 ILE A 82 5.877 3.977 3.005 1.00 2.26 H new ATOM 0 HG22 ILE A 82 5.656 3.315 1.368 1.00 2.26 H new ATOM 0 HG23 ILE A 82 7.032 2.784 2.364 1.00 2.26 H new ATOM 0 HD11 ILE A 82 7.817 6.477 4.548 1.00 3.31 H new ATOM 0 HD12 ILE A 82 6.439 6.692 3.442 1.00 3.31 H new ATOM 0 HD13 ILE A 82 6.673 5.140 4.282 1.00 3.31 H new ATOM 1219 N GLU A 83 9.937 4.482 -1.167 1.00 0.73 N ATOM 1220 CA GLU A 83 11.364 4.480 -1.408 1.00 0.78 C ATOM 1221 C GLU A 83 11.775 5.735 -2.173 1.00 1.08 C ATOM 1222 O GLU A 83 11.880 5.719 -3.404 1.00 1.73 O ATOM 1223 CB GLU A 83 11.719 3.164 -2.092 1.00 1.04 C ATOM 1224 CG GLU A 83 13.172 2.750 -1.845 1.00 1.29 C ATOM 1225 CD GLU A 83 13.352 1.366 -2.438 1.00 1.88 C ATOM 1226 OE1 GLU A 83 13.004 1.199 -3.630 1.00 2.41 O ATOM 1227 OE2 GLU A 83 13.666 0.411 -1.695 1.00 2.74 O ATOM 0 H GLU A 83 9.369 4.272 -1.988 1.00 0.73 H new ATOM 0 HA GLU A 83 11.936 4.526 -0.482 1.00 0.78 H new ATOM 0 HB2 GLU A 83 11.054 2.379 -1.731 1.00 1.04 H new ATOM 0 HB3 GLU A 83 11.548 3.258 -3.164 1.00 1.04 H new ATOM 0 HG2 GLU A 83 13.858 3.459 -2.308 1.00 1.29 H new ATOM 0 HG3 GLU A 83 13.394 2.743 -0.778 1.00 1.29 H new ATOM 1234 N HIS A 84 11.927 6.844 -1.443 1.00 0.84 N ATOM 1235 CA HIS A 84 12.849 7.930 -1.795 1.00 0.83 C ATOM 1236 C HIS A 84 13.261 8.824 -0.612 1.00 0.78 C ATOM 1237 O HIS A 84 13.731 9.937 -0.849 1.00 1.22 O ATOM 1238 CB HIS A 84 12.281 8.800 -2.925 1.00 1.40 C ATOM 1239 CG HIS A 84 11.129 9.684 -2.512 1.00 1.43 C ATOM 1240 ND1 HIS A 84 11.119 11.060 -2.555 1.00 2.65 N ATOM 1241 CD2 HIS A 84 9.917 9.280 -2.019 1.00 1.84 C ATOM 1242 CE1 HIS A 84 9.912 11.470 -2.128 1.00 3.58 C ATOM 1243 NE2 HIS A 84 9.141 10.420 -1.808 1.00 3.11 N ATOM 0 H HIS A 84 11.408 7.016 -0.582 1.00 0.84 H new ATOM 0 HA HIS A 84 13.754 7.425 -2.133 1.00 0.83 H new ATOM 0 HB2 HIS A 84 13.080 9.427 -3.321 1.00 1.40 H new ATOM 0 HB3 HIS A 84 11.952 8.151 -3.737 1.00 1.40 H new ATOM 0 HD1 HIS A 84 11.888 11.659 -2.856 1.00 2.65 H new ATOM 0 HD2 HIS A 84 9.616 8.261 -1.828 1.00 1.84 H new ATOM 0 HE1 HIS A 84 9.605 12.503 -2.053 1.00 3.58 H new ATOM 1251 N LEU A 85 13.022 8.441 0.647 1.00 0.79 N ATOM 1252 CA LEU A 85 13.096 9.417 1.725 1.00 0.82 C ATOM 1253 C LEU A 85 14.547 9.751 2.064 1.00 0.96 C ATOM 1254 O LEU A 85 15.430 8.894 2.014 1.00 1.23 O ATOM 1255 CB LEU A 85 12.274 8.981 2.943 1.00 0.88 C ATOM 1256 CG LEU A 85 10.786 9.302 2.735 1.00 0.97 C ATOM 1257 CD1 LEU A 85 10.246 8.640 1.472 1.00 2.00 C ATOM 1258 CD2 LEU A 85 9.928 8.844 3.912 1.00 1.70 C ATOM 0 H LEU A 85 12.783 7.492 0.934 1.00 0.79 H new ATOM 0 HA LEU A 85 12.639 10.343 1.377 1.00 0.82 H new ATOM 0 HB2 LEU A 85 12.401 7.911 3.110 1.00 0.88 H new ATOM 0 HB3 LEU A 85 12.640 9.488 3.836 1.00 0.88 H new ATOM 0 HG LEU A 85 10.726 10.387 2.645 1.00 0.97 H new ATOM 0 HD11 LEU A 85 9.191 8.887 1.354 1.00 2.00 H new ATOM 0 HD12 LEU A 85 10.802 9.000 0.606 1.00 2.00 H new ATOM 0 HD13 LEU A 85 10.359 7.559 1.551 1.00 2.00 H new ATOM 0 HD21 LEU A 85 8.884 9.092 3.720 1.00 1.70 H new ATOM 0 HD22 LEU A 85 10.028 7.766 4.037 1.00 1.70 H new ATOM 0 HD23 LEU A 85 10.259 9.347 4.821 1.00 1.70 H new ATOM 1270 N LYS A 86 14.755 11.035 2.380 1.00 1.13 N ATOM 1271 CA LYS A 86 16.041 11.702 2.500 1.00 1.42 C ATOM 1272 C LYS A 86 17.020 10.970 3.422 1.00 1.31 C ATOM 1273 O LYS A 86 18.222 10.965 3.170 1.00 1.66 O ATOM 1274 CB LYS A 86 15.838 13.178 2.897 1.00 1.78 C ATOM 1275 CG LYS A 86 15.099 13.400 4.229 1.00 1.67 C ATOM 1276 CD LYS A 86 13.602 13.726 4.104 1.00 2.89 C ATOM 1277 CE LYS A 86 13.340 15.214 3.813 1.00 4.11 C ATOM 1278 NZ LYS A 86 11.895 15.542 3.828 1.00 5.39 N ATOM 0 H LYS A 86 13.977 11.668 2.569 1.00 1.13 H new ATOM 0 HA LYS A 86 16.517 11.676 1.520 1.00 1.42 H new ATOM 0 HB2 LYS A 86 16.814 13.660 2.956 1.00 1.78 H new ATOM 0 HB3 LYS A 86 15.283 13.679 2.104 1.00 1.78 H new ATOM 0 HG2 LYS A 86 15.209 12.504 4.840 1.00 1.67 H new ATOM 0 HG3 LYS A 86 15.588 14.214 4.765 1.00 1.67 H new ATOM 0 HD2 LYS A 86 13.168 13.122 3.307 1.00 2.89 H new ATOM 0 HD3 LYS A 86 13.095 13.446 5.027 1.00 2.89 H new ATOM 0 HE2 LYS A 86 13.857 15.824 4.554 1.00 4.11 H new ATOM 0 HE3 LYS A 86 13.759 15.471 2.840 1.00 4.11 H new ATOM 0 HZ1 LYS A 86 11.767 16.554 3.627 1.00 5.39 H new ATOM 0 HZ2 LYS A 86 11.404 14.980 3.103 1.00 5.39 H new ATOM 0 HZ3 LYS A 86 11.499 15.322 4.764 1.00 5.39 H new ATOM 1292 N SER A 87 16.503 10.377 4.499 1.00 1.09 N ATOM 1293 CA SER A 87 17.270 9.636 5.484 1.00 1.18 C ATOM 1294 C SER A 87 16.993 8.151 5.227 1.00 1.09 C ATOM 1295 O SER A 87 15.827 7.783 5.072 1.00 1.05 O ATOM 1296 CB SER A 87 16.833 10.091 6.879 1.00 1.43 C ATOM 1297 OG SER A 87 16.764 11.508 6.922 1.00 1.89 O ATOM 0 H SER A 87 15.506 10.404 4.711 1.00 1.09 H new ATOM 0 HA SER A 87 18.344 9.810 5.414 1.00 1.18 H new ATOM 0 HB2 SER A 87 15.861 9.663 7.123 1.00 1.43 H new ATOM 0 HB3 SER A 87 17.538 9.729 7.627 1.00 1.43 H new ATOM 0 HG SER A 87 16.482 11.795 7.816 1.00 1.89 H new ATOM 1303 N PRO A 88 18.025 7.305 5.101 1.00 1.17 N ATOM 1304 CA PRO A 88 17.887 5.943 4.604 1.00 1.21 C ATOM 1305 C PRO A 88 16.794 5.169 5.341 1.00 1.21 C ATOM 1306 O PRO A 88 15.912 4.588 4.707 1.00 1.46 O ATOM 1307 CB PRO A 88 19.272 5.300 4.751 1.00 1.43 C ATOM 1308 CG PRO A 88 19.994 6.190 5.764 1.00 1.51 C ATOM 1309 CD PRO A 88 19.391 7.568 5.512 1.00 1.36 C ATOM 0 HA PRO A 88 17.567 5.932 3.562 1.00 1.21 H new ATOM 0 HB2 PRO A 88 19.198 4.272 5.106 1.00 1.43 H new ATOM 0 HB3 PRO A 88 19.801 5.271 3.798 1.00 1.43 H new ATOM 0 HG2 PRO A 88 19.822 5.856 6.787 1.00 1.51 H new ATOM 0 HG3 PRO A 88 21.072 6.188 5.605 1.00 1.51 H new ATOM 0 HD2 PRO A 88 19.422 8.184 6.411 1.00 1.36 H new ATOM 0 HD3 PRO A 88 19.940 8.105 4.739 1.00 1.36 H new ATOM 1317 N GLU A 89 16.822 5.209 6.674 1.00 1.22 N ATOM 1318 CA GLU A 89 15.936 4.463 7.549 1.00 1.26 C ATOM 1319 C GLU A 89 14.456 4.811 7.344 1.00 1.20 C ATOM 1320 O GLU A 89 13.592 4.011 7.696 1.00 1.46 O ATOM 1321 CB GLU A 89 16.391 4.589 9.017 1.00 1.38 C ATOM 1322 CG GLU A 89 16.366 6.004 9.622 1.00 2.34 C ATOM 1323 CD GLU A 89 17.544 6.871 9.194 1.00 2.52 C ATOM 1324 OE1 GLU A 89 18.480 7.007 10.005 1.00 2.87 O ATOM 1325 OE2 GLU A 89 17.498 7.360 8.045 1.00 3.48 O ATOM 0 H GLU A 89 17.490 5.785 7.186 1.00 1.22 H new ATOM 0 HA GLU A 89 16.012 3.411 7.273 1.00 1.26 H new ATOM 0 HB2 GLU A 89 15.758 3.945 9.627 1.00 1.38 H new ATOM 0 HB3 GLU A 89 17.407 4.202 9.094 1.00 1.38 H new ATOM 0 HG2 GLU A 89 15.438 6.498 9.333 1.00 2.34 H new ATOM 0 HG3 GLU A 89 16.360 5.925 10.709 1.00 2.34 H new ATOM 1332 N LEU A 90 14.149 5.973 6.758 1.00 1.14 N ATOM 1333 CA LEU A 90 12.773 6.354 6.463 1.00 1.06 C ATOM 1334 C LEU A 90 12.209 5.570 5.273 1.00 0.87 C ATOM 1335 O LEU A 90 10.991 5.539 5.098 1.00 0.98 O ATOM 1336 CB LEU A 90 12.677 7.864 6.196 1.00 1.10 C ATOM 1337 CG LEU A 90 12.539 8.764 7.433 1.00 1.35 C ATOM 1338 CD1 LEU A 90 11.094 8.772 7.944 1.00 1.48 C ATOM 1339 CD2 LEU A 90 13.502 8.376 8.555 1.00 2.04 C ATOM 0 H LEU A 90 14.843 6.666 6.479 1.00 1.14 H new ATOM 0 HA LEU A 90 12.172 6.108 7.339 1.00 1.06 H new ATOM 0 HB2 LEU A 90 13.566 8.172 5.646 1.00 1.10 H new ATOM 0 HB3 LEU A 90 11.821 8.043 5.545 1.00 1.10 H new ATOM 0 HG LEU A 90 12.808 9.772 7.117 1.00 1.35 H new ATOM 0 HD11 LEU A 90 11.022 9.416 8.820 1.00 1.48 H new ATOM 0 HD12 LEU A 90 10.434 9.147 7.162 1.00 1.48 H new ATOM 0 HD13 LEU A 90 10.798 7.758 8.213 1.00 1.48 H new ATOM 0 HD21 LEU A 90 13.361 9.045 9.404 1.00 2.04 H new ATOM 0 HD22 LEU A 90 13.305 7.350 8.865 1.00 2.04 H new ATOM 0 HD23 LEU A 90 14.529 8.456 8.197 1.00 2.04 H new ATOM 1351 N ASN A 91 13.051 4.955 4.431 1.00 0.73 N ATOM 1352 CA ASN A 91 12.588 4.241 3.257 1.00 0.70 C ATOM 1353 C ASN A 91 11.933 2.937 3.697 1.00 0.68 C ATOM 1354 O ASN A 91 12.570 1.883 3.723 1.00 0.89 O ATOM 1355 CB ASN A 91 13.741 4.037 2.269 1.00 0.85 C ATOM 1356 CG ASN A 91 14.186 5.382 1.704 1.00 1.08 C ATOM 1357 OD1 ASN A 91 13.687 5.815 0.670 1.00 2.03 O ATOM 1358 ND2 ASN A 91 15.075 6.081 2.401 1.00 0.85 N ATOM 0 H ASN A 91 14.064 4.944 4.553 1.00 0.73 H new ATOM 0 HA ASN A 91 11.835 4.823 2.725 1.00 0.70 H new ATOM 0 HB2 ASN A 91 14.577 3.548 2.769 1.00 0.85 H new ATOM 0 HB3 ASN A 91 13.425 3.379 1.459 1.00 0.85 H new ATOM 0 HD21 ASN A 91 15.361 7.006 2.080 1.00 0.85 H new ATOM 0 HD22 ASN A 91 15.471 5.693 3.257 1.00 0.85 H new ATOM 1365 N VAL A 92 10.656 3.044 4.075 1.00 0.78 N ATOM 1366 CA VAL A 92 9.806 1.932 4.450 1.00 0.68 C ATOM 1367 C VAL A 92 9.572 1.052 3.228 1.00 0.65 C ATOM 1368 O VAL A 92 9.301 1.564 2.139 1.00 0.80 O ATOM 1369 CB VAL A 92 8.465 2.460 4.998 1.00 0.63 C ATOM 1370 CG1 VAL A 92 7.346 1.414 5.026 1.00 0.90 C ATOM 1371 CG2 VAL A 92 8.613 3.003 6.415 1.00 1.02 C ATOM 0 H VAL A 92 10.177 3.943 4.127 1.00 0.78 H new ATOM 0 HA VAL A 92 10.289 1.343 5.230 1.00 0.68 H new ATOM 0 HB VAL A 92 8.186 3.249 4.300 1.00 0.63 H new ATOM 0 HG11 VAL A 92 6.437 1.864 5.424 1.00 0.90 H new ATOM 0 HG12 VAL A 92 7.159 1.054 4.014 1.00 0.90 H new ATOM 0 HG13 VAL A 92 7.645 0.579 5.659 1.00 0.90 H new ATOM 0 HG21 VAL A 92 7.648 3.366 6.768 1.00 1.02 H new ATOM 0 HG22 VAL A 92 8.965 2.209 7.074 1.00 1.02 H new ATOM 0 HG23 VAL A 92 9.332 3.822 6.417 1.00 1.02 H new ATOM 1381 N ASP A 93 9.597 -0.264 3.440 1.00 0.61 N ATOM 1382 CA ASP A 93 9.033 -1.227 2.515 1.00 0.61 C ATOM 1383 C ASP A 93 7.711 -1.725 3.103 1.00 0.68 C ATOM 1384 O ASP A 93 7.473 -1.624 4.305 1.00 0.87 O ATOM 1385 CB ASP A 93 10.042 -2.356 2.257 1.00 0.63 C ATOM 1386 CG ASP A 93 9.771 -3.103 0.957 1.00 1.08 C ATOM 1387 OD1 ASP A 93 8.587 -3.167 0.561 1.00 2.65 O ATOM 1388 OD2 ASP A 93 10.759 -3.560 0.346 1.00 1.88 O ATOM 0 H ASP A 93 10.015 -0.688 4.268 1.00 0.61 H new ATOM 0 HA ASP A 93 8.826 -0.777 1.544 1.00 0.61 H new ATOM 0 HB2 ASP A 93 11.048 -1.938 2.228 1.00 0.63 H new ATOM 0 HB3 ASP A 93 10.013 -3.060 3.088 1.00 0.63 H new ATOM 1393 N LEU A 94 6.825 -2.200 2.241 1.00 0.69 N ATOM 1394 CA LEU A 94 5.410 -2.430 2.473 1.00 1.05 C ATOM 1395 C LEU A 94 5.096 -3.896 2.145 1.00 1.16 C ATOM 1396 O LEU A 94 5.283 -4.332 1.010 1.00 1.35 O ATOM 1397 CB LEU A 94 4.634 -1.400 1.623 1.00 1.44 C ATOM 1398 CG LEU A 94 3.854 -0.416 2.502 1.00 1.30 C ATOM 1399 CD1 LEU A 94 3.345 0.818 1.754 1.00 1.80 C ATOM 1400 CD2 LEU A 94 2.643 -1.096 3.137 1.00 2.06 C ATOM 0 H LEU A 94 7.098 -2.453 1.291 1.00 0.69 H new ATOM 0 HA LEU A 94 5.110 -2.284 3.511 1.00 1.05 H new ATOM 0 HB2 LEU A 94 5.331 -0.850 0.991 1.00 1.44 H new ATOM 0 HB3 LEU A 94 3.944 -1.921 0.959 1.00 1.44 H new ATOM 0 HG LEU A 94 4.572 -0.089 3.254 1.00 1.30 H new ATOM 0 HD11 LEU A 94 2.804 1.465 2.445 1.00 1.80 H new ATOM 0 HD12 LEU A 94 4.190 1.363 1.334 1.00 1.80 H new ATOM 0 HD13 LEU A 94 2.678 0.507 0.950 1.00 1.80 H new ATOM 0 HD21 LEU A 94 2.105 -0.378 3.756 1.00 2.06 H new ATOM 0 HD22 LEU A 94 1.982 -1.467 2.354 1.00 2.06 H new ATOM 0 HD23 LEU A 94 2.976 -1.930 3.755 1.00 2.06 H new ATOM 1412 N ALA A 95 4.679 -4.682 3.146 1.00 1.15 N ATOM 1413 CA ALA A 95 4.644 -6.135 3.043 1.00 1.18 C ATOM 1414 C ALA A 95 3.417 -6.618 2.268 1.00 1.13 C ATOM 1415 O ALA A 95 2.286 -6.224 2.558 1.00 1.20 O ATOM 1416 CB ALA A 95 4.678 -6.763 4.440 1.00 1.27 C ATOM 0 H ALA A 95 4.358 -4.323 4.045 1.00 1.15 H new ATOM 0 HA ALA A 95 5.527 -6.452 2.487 1.00 1.18 H new ATOM 0 HB1 ALA A 95 4.651 -7.849 4.351 1.00 1.27 H new ATOM 0 HB2 ALA A 95 5.592 -6.463 4.952 1.00 1.27 H new ATOM 0 HB3 ALA A 95 3.814 -6.424 5.012 1.00 1.27 H new ATOM 1422 N ALA A 96 3.639 -7.534 1.320 1.00 1.20 N ATOM 1423 CA ALA A 96 2.621 -7.985 0.384 1.00 1.20 C ATOM 1424 C ALA A 96 1.657 -8.923 1.110 1.00 0.93 C ATOM 1425 O ALA A 96 2.086 -9.735 1.927 1.00 1.21 O ATOM 1426 CB ALA A 96 3.306 -8.696 -0.786 1.00 1.47 C ATOM 0 H ALA A 96 4.544 -7.985 1.185 1.00 1.20 H new ATOM 0 HA ALA A 96 2.053 -7.140 -0.006 1.00 1.20 H new ATOM 0 HB1 ALA A 96 2.552 -9.039 -1.495 1.00 1.47 H new ATOM 0 HB2 ALA A 96 3.985 -8.005 -1.285 1.00 1.47 H new ATOM 0 HB3 ALA A 96 3.869 -9.552 -0.413 1.00 1.47 H new ATOM 1432 N ALA A 97 0.353 -8.769 0.856 1.00 0.83 N ATOM 1433 CA ALA A 97 -0.693 -9.442 1.613 1.00 0.71 C ATOM 1434 C ALA A 97 -1.952 -9.568 0.759 1.00 0.81 C ATOM 1435 O ALA A 97 -2.382 -8.595 0.142 1.00 1.29 O ATOM 1436 CB ALA A 97 -0.996 -8.659 2.891 1.00 0.85 C ATOM 0 H ALA A 97 -0.003 -8.168 0.113 1.00 0.83 H new ATOM 0 HA ALA A 97 -0.352 -10.441 1.886 1.00 0.71 H new ATOM 0 HB1 ALA A 97 -1.779 -9.168 3.452 1.00 0.85 H new ATOM 0 HB2 ALA A 97 -0.095 -8.596 3.501 1.00 0.85 H new ATOM 0 HB3 ALA A 97 -1.330 -7.654 2.632 1.00 0.85 H new ATOM 1442 N ASP A 98 -2.508 -10.774 0.705 1.00 0.81 N ATOM 1443 CA ASP A 98 -3.545 -11.180 -0.231 1.00 0.95 C ATOM 1444 C ASP A 98 -4.919 -10.693 0.224 1.00 1.10 C ATOM 1445 O ASP A 98 -5.367 -11.008 1.329 1.00 1.92 O ATOM 1446 CB ASP A 98 -3.554 -12.714 -0.341 1.00 1.30 C ATOM 1447 CG ASP A 98 -2.162 -13.289 -0.558 1.00 2.69 C ATOM 1448 OD1 ASP A 98 -1.365 -13.170 0.401 1.00 3.33 O ATOM 1449 OD2 ASP A 98 -1.924 -13.815 -1.663 1.00 3.92 O ATOM 0 H ASP A 98 -2.235 -11.525 1.340 1.00 0.81 H new ATOM 0 HA ASP A 98 -3.330 -10.734 -1.202 1.00 0.95 H new ATOM 0 HB2 ASP A 98 -3.982 -13.138 0.568 1.00 1.30 H new ATOM 0 HB3 ASP A 98 -4.200 -13.012 -1.167 1.00 1.30 H new ATOM 1454 N ILE A 99 -5.638 -9.972 -0.640 1.00 0.93 N ATOM 1455 CA ILE A 99 -7.018 -9.612 -0.395 1.00 0.96 C ATOM 1456 C ILE A 99 -7.919 -10.835 -0.594 1.00 1.16 C ATOM 1457 O ILE A 99 -8.571 -11.008 -1.621 1.00 1.67 O ATOM 1458 CB ILE A 99 -7.421 -8.353 -1.180 1.00 0.90 C ATOM 1459 CG1 ILE A 99 -8.930 -8.151 -1.131 1.00 0.89 C ATOM 1460 CG2 ILE A 99 -6.962 -8.322 -2.631 1.00 1.28 C ATOM 1461 CD1 ILE A 99 -9.268 -6.688 -1.400 1.00 1.11 C ATOM 0 H ILE A 99 -5.271 -9.626 -1.526 1.00 0.93 H new ATOM 0 HA ILE A 99 -7.151 -9.319 0.646 1.00 0.96 H new ATOM 0 HB ILE A 99 -6.899 -7.539 -0.678 1.00 0.90 H new ATOM 0 HG12 ILE A 99 -9.415 -8.787 -1.871 1.00 0.89 H new ATOM 0 HG13 ILE A 99 -9.314 -8.448 -0.155 1.00 0.89 H new ATOM 0 HG21 ILE A 99 -7.295 -7.395 -3.098 1.00 1.28 H new ATOM 0 HG22 ILE A 99 -5.874 -8.377 -2.670 1.00 1.28 H new ATOM 0 HG23 ILE A 99 -7.388 -9.171 -3.166 1.00 1.28 H new ATOM 0 HD11 ILE A 99 -10.349 -6.552 -1.363 1.00 1.11 H new ATOM 0 HD12 ILE A 99 -8.797 -6.061 -0.643 1.00 1.11 H new ATOM 0 HD13 ILE A 99 -8.900 -6.405 -2.386 1.00 1.11 H new ATOM 1473 N LYS A 100 -7.949 -11.671 0.441 1.00 1.30 N ATOM 1474 CA LYS A 100 -9.016 -12.598 0.755 1.00 1.38 C ATOM 1475 C LYS A 100 -10.121 -12.014 1.637 1.00 1.26 C ATOM 1476 O LYS A 100 -11.269 -12.414 1.439 1.00 2.06 O ATOM 1477 CB LYS A 100 -8.454 -13.919 1.306 1.00 2.30 C ATOM 1478 CG LYS A 100 -7.980 -14.862 0.189 1.00 4.05 C ATOM 1479 CD LYS A 100 -9.112 -15.006 -0.834 1.00 5.46 C ATOM 1480 CE LYS A 100 -9.144 -16.313 -1.622 1.00 6.98 C ATOM 1481 NZ LYS A 100 -10.398 -16.386 -2.399 1.00 8.23 N ATOM 0 H LYS A 100 -7.185 -11.717 1.115 1.00 1.30 H new ATOM 0 HA LYS A 100 -9.516 -12.812 -0.190 1.00 1.38 H new ATOM 0 HB2 LYS A 100 -7.621 -13.706 1.976 1.00 2.30 H new ATOM 0 HB3 LYS A 100 -9.220 -14.418 1.899 1.00 2.30 H new ATOM 0 HG2 LYS A 100 -7.085 -14.464 -0.289 1.00 4.05 H new ATOM 0 HG3 LYS A 100 -7.715 -15.836 0.601 1.00 4.05 H new ATOM 0 HD2 LYS A 100 -10.062 -14.897 -0.311 1.00 5.46 H new ATOM 0 HD3 LYS A 100 -9.041 -14.180 -1.542 1.00 5.46 H new ATOM 0 HE2 LYS A 100 -8.285 -16.369 -2.291 1.00 6.98 H new ATOM 0 HE3 LYS A 100 -9.074 -17.162 -0.942 1.00 6.98 H new ATOM 0 HZ1 LYS A 100 -10.271 -17.033 -3.203 1.00 8.23 H new ATOM 0 HZ2 LYS A 100 -11.164 -16.737 -1.790 1.00 8.23 H new ATOM 0 HZ3 LYS A 100 -10.643 -15.439 -2.752 1.00 8.23 H new ATOM 1495 N PRO A 101 -9.886 -11.071 2.569 1.00 2.17 N ATOM 1496 CA PRO A 101 -10.997 -10.298 3.096 1.00 2.90 C ATOM 1497 C PRO A 101 -11.515 -9.375 1.985 1.00 2.60 C ATOM 1498 O PRO A 101 -11.234 -8.179 1.976 1.00 4.10 O ATOM 1499 CB PRO A 101 -10.446 -9.554 4.317 1.00 4.85 C ATOM 1500 CG PRO A 101 -8.964 -9.396 3.990 1.00 5.17 C ATOM 1501 CD PRO A 101 -8.637 -10.668 3.207 1.00 3.51 C ATOM 0 HA PRO A 101 -11.850 -10.899 3.410 1.00 2.90 H new ATOM 0 HB2 PRO A 101 -10.933 -8.589 4.454 1.00 4.85 H new ATOM 0 HB3 PRO A 101 -10.597 -10.121 5.236 1.00 4.85 H new ATOM 0 HG2 PRO A 101 -8.776 -8.500 3.398 1.00 5.17 H new ATOM 0 HG3 PRO A 101 -8.360 -9.314 4.893 1.00 5.17 H new ATOM 0 HD2 PRO A 101 -7.860 -10.482 2.465 1.00 3.51 H new ATOM 0 HD3 PRO A 101 -8.265 -11.450 3.869 1.00 3.51 H new ATOM 1509 N ASP A 102 -12.282 -9.933 1.042 1.00 1.97 N ATOM 1510 CA ASP A 102 -12.992 -9.189 0.011 1.00 3.02 C ATOM 1511 C ASP A 102 -14.060 -8.331 0.691 1.00 2.27 C ATOM 1512 O ASP A 102 -15.247 -8.661 0.664 1.00 2.54 O ATOM 1513 CB ASP A 102 -13.686 -10.150 -0.964 1.00 4.34 C ATOM 1514 CG ASP A 102 -12.826 -10.781 -2.048 1.00 6.13 C ATOM 1515 OD1 ASP A 102 -13.147 -11.950 -2.347 1.00 7.29 O ATOM 1516 OD2 ASP A 102 -12.015 -10.077 -2.691 1.00 6.89 O ATOM 0 H ASP A 102 -12.426 -10.941 0.978 1.00 1.97 H new ATOM 0 HA ASP A 102 -12.283 -8.573 -0.542 1.00 3.02 H new ATOM 0 HB2 ASP A 102 -14.139 -10.953 -0.382 1.00 4.34 H new ATOM 0 HB3 ASP A 102 -14.499 -9.610 -1.449 1.00 4.34 H new ATOM 1521 N GLY A 103 -13.659 -7.228 1.319 1.00 2.99 N ATOM 1522 CA GLY A 103 -14.557 -6.384 2.089 1.00 4.01 C ATOM 1523 C GLY A 103 -15.432 -5.517 1.186 1.00 3.53 C ATOM 1524 O GLY A 103 -15.359 -4.295 1.279 1.00 4.66 O ATOM 0 H GLY A 103 -12.695 -6.896 1.305 1.00 2.99 H new ATOM 0 HA2 GLY A 103 -15.191 -7.007 2.720 1.00 4.01 H new ATOM 0 HA3 GLY A 103 -13.975 -5.745 2.754 1.00 4.01 H new ATOM 1528 N LYS A 104 -16.259 -6.146 0.338 1.00 2.21 N ATOM 1529 CA LYS A 104 -17.196 -5.506 -0.578 1.00 1.91 C ATOM 1530 C LYS A 104 -16.432 -4.983 -1.794 1.00 2.00 C ATOM 1531 O LYS A 104 -15.558 -4.127 -1.660 1.00 3.07 O ATOM 1532 CB LYS A 104 -18.026 -4.416 0.123 1.00 2.10 C ATOM 1533 CG LYS A 104 -19.290 -4.046 -0.664 1.00 2.83 C ATOM 1534 CD LYS A 104 -19.996 -2.819 -0.066 1.00 3.66 C ATOM 1535 CE LYS A 104 -20.450 -3.052 1.385 1.00 4.03 C ATOM 1536 NZ LYS A 104 -21.228 -1.915 1.918 1.00 5.49 N ATOM 0 H LYS A 104 -16.289 -7.164 0.274 1.00 2.21 H new ATOM 0 HA LYS A 104 -17.922 -6.242 -0.925 1.00 1.91 H new ATOM 0 HB2 LYS A 104 -18.309 -4.762 1.117 1.00 2.10 H new ATOM 0 HB3 LYS A 104 -17.412 -3.526 0.258 1.00 2.10 H new ATOM 0 HG2 LYS A 104 -19.026 -3.843 -1.702 1.00 2.83 H new ATOM 0 HG3 LYS A 104 -19.976 -4.893 -0.669 1.00 2.83 H new ATOM 0 HD2 LYS A 104 -19.322 -1.963 -0.100 1.00 3.66 H new ATOM 0 HD3 LYS A 104 -20.862 -2.567 -0.679 1.00 3.66 H new ATOM 0 HE2 LYS A 104 -21.055 -3.958 1.433 1.00 4.03 H new ATOM 0 HE3 LYS A 104 -19.576 -3.218 2.015 1.00 4.03 H new ATOM 0 HZ1 LYS A 104 -21.512 -2.118 2.898 1.00 5.49 H new ATOM 0 HZ2 LYS A 104 -20.644 -1.055 1.898 1.00 5.49 H new ATOM 0 HZ3 LYS A 104 -22.077 -1.771 1.334 1.00 5.49 H new ATOM 1550 N ARG A 105 -16.740 -5.532 -2.976 1.00 1.57 N ATOM 1551 CA ARG A 105 -15.993 -5.322 -4.212 1.00 1.70 C ATOM 1552 C ARG A 105 -14.607 -5.934 -4.062 1.00 1.68 C ATOM 1553 O ARG A 105 -14.365 -7.012 -4.593 1.00 2.86 O ATOM 1554 CB ARG A 105 -15.942 -3.844 -4.645 1.00 2.09 C ATOM 1555 CG ARG A 105 -17.317 -3.329 -5.095 1.00 2.84 C ATOM 1556 CD ARG A 105 -17.169 -2.106 -6.009 1.00 3.61 C ATOM 1557 NE ARG A 105 -16.573 -2.500 -7.297 1.00 4.90 N ATOM 1558 CZ ARG A 105 -16.376 -1.718 -8.366 1.00 6.00 C ATOM 1559 NH1 ARG A 105 -16.616 -0.405 -8.284 1.00 6.07 N ATOM 1560 NH2 ARG A 105 -15.942 -2.256 -9.505 1.00 7.50 N ATOM 0 H ARG A 105 -17.541 -6.152 -3.097 1.00 1.57 H new ATOM 0 HA ARG A 105 -16.519 -5.826 -5.022 1.00 1.70 H new ATOM 0 HB2 ARG A 105 -15.580 -3.236 -3.816 1.00 2.09 H new ATOM 0 HB3 ARG A 105 -15.227 -3.729 -5.460 1.00 2.09 H new ATOM 0 HG2 ARG A 105 -17.852 -4.119 -5.622 1.00 2.84 H new ATOM 0 HG3 ARG A 105 -17.915 -3.066 -4.223 1.00 2.84 H new ATOM 0 HD2 ARG A 105 -18.144 -1.648 -6.176 1.00 3.61 H new ATOM 0 HD3 ARG A 105 -16.544 -1.356 -5.525 1.00 3.61 H new ATOM 0 HE ARG A 105 -16.279 -3.473 -7.384 1.00 4.90 H new ATOM 0 HH11 ARG A 105 -16.948 -0.001 -7.408 1.00 6.07 H new ATOM 0 HH12 ARG A 105 -16.467 0.193 -9.097 1.00 6.07 H new ATOM 0 HH21 ARG A 105 -15.762 -3.258 -9.559 1.00 7.50 H new ATOM 0 HH22 ARG A 105 -15.790 -1.665 -10.323 1.00 7.50 H new ATOM 1574 N HIS A 106 -13.741 -5.262 -3.300 1.00 1.68 N ATOM 1575 CA HIS A 106 -12.384 -5.665 -2.962 1.00 1.72 C ATOM 1576 C HIS A 106 -11.697 -4.501 -2.239 1.00 1.97 C ATOM 1577 O HIS A 106 -10.638 -4.031 -2.652 1.00 3.30 O ATOM 1578 CB HIS A 106 -11.624 -6.108 -4.220 1.00 2.39 C ATOM 1579 CG HIS A 106 -11.687 -5.143 -5.381 1.00 3.69 C ATOM 1580 ND1 HIS A 106 -11.456 -3.786 -5.333 1.00 4.45 N ATOM 1581 CD2 HIS A 106 -11.861 -5.483 -6.696 1.00 5.29 C ATOM 1582 CE1 HIS A 106 -11.463 -3.329 -6.597 1.00 5.99 C ATOM 1583 NE2 HIS A 106 -11.666 -4.331 -7.463 1.00 6.51 N ATOM 0 H HIS A 106 -13.989 -4.367 -2.879 1.00 1.68 H new ATOM 0 HA HIS A 106 -12.397 -6.526 -2.294 1.00 1.72 H new ATOM 0 HB2 HIS A 106 -10.578 -6.267 -3.957 1.00 2.39 H new ATOM 0 HB3 HIS A 106 -12.021 -7.070 -4.545 1.00 2.39 H new ATOM 0 HD1 HIS A 106 -11.307 -3.229 -4.491 1.00 4.45 H new ATOM 0 HD2 HIS A 106 -12.105 -6.465 -7.073 1.00 5.29 H new ATOM 0 HE1 HIS A 106 -11.324 -2.295 -6.876 1.00 5.99 H new ATOM 1591 N ALA A 107 -12.327 -3.991 -1.177 1.00 1.48 N ATOM 1592 CA ALA A 107 -11.951 -2.701 -0.612 1.00 2.32 C ATOM 1593 C ALA A 107 -10.882 -2.767 0.486 1.00 1.47 C ATOM 1594 O ALA A 107 -10.661 -1.747 1.133 1.00 1.82 O ATOM 1595 CB ALA A 107 -13.211 -1.991 -0.105 1.00 3.87 C ATOM 0 H ALA A 107 -13.098 -4.454 -0.695 1.00 1.48 H new ATOM 0 HA ALA A 107 -11.483 -2.134 -1.417 1.00 2.32 H new ATOM 0 HB1 ALA A 107 -12.938 -1.025 0.319 1.00 3.87 H new ATOM 0 HB2 ALA A 107 -13.903 -1.841 -0.934 1.00 3.87 H new ATOM 0 HB3 ALA A 107 -13.689 -2.602 0.661 1.00 3.87 H new ATOM 1601 N VAL A 108 -10.206 -3.903 0.719 1.00 1.23 N ATOM 1602 CA VAL A 108 -9.183 -3.991 1.768 1.00 0.84 C ATOM 1603 C VAL A 108 -8.144 -5.109 1.547 1.00 0.84 C ATOM 1604 O VAL A 108 -8.362 -6.268 1.890 1.00 0.92 O ATOM 1605 CB VAL A 108 -9.798 -4.113 3.178 1.00 1.50 C ATOM 1606 CG1 VAL A 108 -10.017 -2.777 3.900 1.00 1.78 C ATOM 1607 CG2 VAL A 108 -11.101 -4.916 3.190 1.00 2.14 C ATOM 0 H VAL A 108 -10.349 -4.768 0.197 1.00 1.23 H new ATOM 0 HA VAL A 108 -8.647 -3.045 1.697 1.00 0.84 H new ATOM 0 HB VAL A 108 -9.036 -4.657 3.735 1.00 1.50 H new ATOM 0 HG11 VAL A 108 -10.452 -2.961 4.882 1.00 1.78 H new ATOM 0 HG12 VAL A 108 -9.062 -2.266 4.017 1.00 1.78 H new ATOM 0 HG13 VAL A 108 -10.693 -2.154 3.315 1.00 1.78 H new ATOM 0 HG21 VAL A 108 -11.487 -4.968 4.208 1.00 2.14 H new ATOM 0 HG22 VAL A 108 -11.835 -4.428 2.548 1.00 2.14 H new ATOM 0 HG23 VAL A 108 -10.910 -5.924 2.822 1.00 2.14 H new ATOM 1617 N ILE A 109 -6.957 -4.708 1.097 1.00 1.00 N ATOM 1618 CA ILE A 109 -5.677 -5.284 1.467 1.00 1.00 C ATOM 1619 C ILE A 109 -5.381 -4.767 2.877 1.00 1.04 C ATOM 1620 O ILE A 109 -5.701 -3.622 3.206 1.00 1.21 O ATOM 1621 CB ILE A 109 -4.560 -4.708 0.560 1.00 1.22 C ATOM 1622 CG1 ILE A 109 -4.820 -4.823 -0.949 1.00 2.02 C ATOM 1623 CG2 ILE A 109 -3.180 -5.272 0.930 1.00 1.63 C ATOM 1624 CD1 ILE A 109 -4.461 -6.194 -1.501 1.00 2.98 C ATOM 0 H ILE A 109 -6.863 -3.938 0.435 1.00 1.00 H new ATOM 0 HA ILE A 109 -5.709 -6.371 1.387 1.00 1.00 H new ATOM 0 HB ILE A 109 -4.571 -3.638 0.766 1.00 1.22 H new ATOM 0 HG12 ILE A 109 -5.872 -4.619 -1.149 1.00 2.02 H new ATOM 0 HG13 ILE A 109 -4.242 -4.062 -1.473 1.00 2.02 H new ATOM 0 HG21 ILE A 109 -2.424 -4.844 0.272 1.00 1.63 H new ATOM 0 HG22 ILE A 109 -2.948 -5.016 1.964 1.00 1.63 H new ATOM 0 HG23 ILE A 109 -3.188 -6.356 0.817 1.00 1.63 H new ATOM 0 HD11 ILE A 109 -4.665 -6.220 -2.572 1.00 2.98 H new ATOM 0 HD12 ILE A 109 -3.403 -6.390 -1.328 1.00 2.98 H new ATOM 0 HD13 ILE A 109 -5.058 -6.956 -1.000 1.00 2.98 H new ATOM 1636 N SER A 110 -4.705 -5.566 3.700 1.00 0.98 N ATOM 1637 CA SER A 110 -4.012 -5.036 4.856 1.00 1.16 C ATOM 1638 C SER A 110 -2.743 -5.853 5.041 1.00 0.93 C ATOM 1639 O SER A 110 -2.780 -7.072 4.883 1.00 1.52 O ATOM 1640 CB SER A 110 -4.919 -5.057 6.092 1.00 1.57 C ATOM 1641 OG SER A 110 -4.285 -4.429 7.190 1.00 2.37 O ATOM 0 H SER A 110 -4.627 -6.576 3.583 1.00 0.98 H new ATOM 0 HA SER A 110 -3.743 -3.990 4.708 1.00 1.16 H new ATOM 0 HB2 SER A 110 -5.857 -4.549 5.869 1.00 1.57 H new ATOM 0 HB3 SER A 110 -5.167 -6.087 6.349 1.00 1.57 H new ATOM 0 HG SER A 110 -3.684 -3.728 6.863 1.00 2.37 H new ATOM 1647 N GLY A 111 -1.628 -5.177 5.317 1.00 0.52 N ATOM 1648 CA GLY A 111 -0.337 -5.837 5.529 1.00 0.64 C ATOM 1649 C GLY A 111 0.565 -5.010 6.448 1.00 0.46 C ATOM 1650 O GLY A 111 0.233 -3.864 6.754 1.00 0.71 O ATOM 0 H GLY A 111 -1.592 -4.161 5.400 1.00 0.52 H new ATOM 0 HA2 GLY A 111 -0.497 -6.823 5.965 1.00 0.64 H new ATOM 0 HA3 GLY A 111 0.158 -5.989 4.570 1.00 0.64 H new ATOM 1654 N SER A 112 1.683 -5.571 6.927 1.00 0.59 N ATOM 1655 CA SER A 112 2.619 -4.820 7.754 1.00 0.51 C ATOM 1656 C SER A 112 3.518 -3.941 6.876 1.00 0.55 C ATOM 1657 O SER A 112 3.519 -4.074 5.651 1.00 0.77 O ATOM 1658 CB SER A 112 3.403 -5.729 8.706 1.00 0.72 C ATOM 1659 OG SER A 112 4.241 -6.647 8.044 1.00 2.34 O ATOM 0 H SER A 112 1.955 -6.539 6.754 1.00 0.59 H new ATOM 0 HA SER A 112 2.050 -4.152 8.401 1.00 0.51 H new ATOM 0 HB2 SER A 112 4.007 -5.111 9.370 1.00 0.72 H new ATOM 0 HB3 SER A 112 2.700 -6.278 9.333 1.00 0.72 H new ATOM 0 HG SER A 112 4.961 -6.926 8.647 1.00 2.34 H new ATOM 1665 N VAL A 113 4.283 -3.033 7.486 1.00 0.52 N ATOM 1666 CA VAL A 113 5.326 -2.286 6.802 1.00 0.52 C ATOM 1667 C VAL A 113 6.619 -2.430 7.602 1.00 0.50 C ATOM 1668 O VAL A 113 6.600 -2.409 8.833 1.00 0.62 O ATOM 1669 CB VAL A 113 4.923 -0.815 6.556 1.00 0.58 C ATOM 1670 CG1 VAL A 113 3.403 -0.608 6.493 1.00 0.74 C ATOM 1671 CG2 VAL A 113 5.489 0.136 7.612 1.00 0.66 C ATOM 0 H VAL A 113 4.191 -2.798 8.474 1.00 0.52 H new ATOM 0 HA VAL A 113 5.483 -2.697 5.805 1.00 0.52 H new ATOM 0 HB VAL A 113 5.355 -0.580 5.583 1.00 0.58 H new ATOM 0 HG11 VAL A 113 3.186 0.446 6.318 1.00 0.74 H new ATOM 0 HG12 VAL A 113 2.988 -1.204 5.680 1.00 0.74 H new ATOM 0 HG13 VAL A 113 2.954 -0.919 7.436 1.00 0.74 H new ATOM 0 HG21 VAL A 113 5.174 1.156 7.389 1.00 0.66 H new ATOM 0 HG22 VAL A 113 5.119 -0.151 8.596 1.00 0.66 H new ATOM 0 HG23 VAL A 113 6.578 0.082 7.604 1.00 0.66 H new ATOM 1681 N LEU A 114 7.736 -2.564 6.892 1.00 0.56 N ATOM 1682 CA LEU A 114 9.073 -2.665 7.437 1.00 0.71 C ATOM 1683 C LEU A 114 9.727 -1.301 7.286 1.00 0.71 C ATOM 1684 O LEU A 114 9.958 -0.817 6.181 1.00 0.74 O ATOM 1685 CB LEU A 114 9.795 -3.798 6.706 1.00 1.00 C ATOM 1686 CG LEU A 114 11.302 -3.992 6.904 1.00 0.78 C ATOM 1687 CD1 LEU A 114 12.123 -3.403 5.754 1.00 1.96 C ATOM 1688 CD2 LEU A 114 11.841 -3.602 8.273 1.00 2.69 C ATOM 0 H LEU A 114 7.725 -2.606 5.873 1.00 0.56 H new ATOM 0 HA LEU A 114 9.097 -2.917 8.497 1.00 0.71 H new ATOM 0 HB2 LEU A 114 9.307 -4.731 6.989 1.00 1.00 H new ATOM 0 HB3 LEU A 114 9.622 -3.659 5.639 1.00 1.00 H new ATOM 0 HG LEU A 114 11.433 -5.074 6.877 1.00 0.78 H new ATOM 0 HD11 LEU A 114 13.184 -3.567 5.943 1.00 1.96 H new ATOM 0 HD12 LEU A 114 11.842 -3.889 4.820 1.00 1.96 H new ATOM 0 HD13 LEU A 114 11.929 -2.333 5.679 1.00 1.96 H new ATOM 0 HD21 LEU A 114 12.916 -3.779 8.305 1.00 2.69 H new ATOM 0 HD22 LEU A 114 11.642 -2.546 8.455 1.00 2.69 H new ATOM 0 HD23 LEU A 114 11.352 -4.201 9.041 1.00 2.69 H new ATOM 1700 N TYR A 115 10.044 -0.693 8.423 1.00 0.87 N ATOM 1701 CA TYR A 115 10.762 0.571 8.523 1.00 1.05 C ATOM 1702 C TYR A 115 12.234 0.254 8.318 1.00 1.02 C ATOM 1703 O TYR A 115 13.034 0.283 9.248 1.00 1.15 O ATOM 1704 CB TYR A 115 10.435 1.283 9.851 1.00 1.31 C ATOM 1705 CG TYR A 115 11.265 2.516 10.174 1.00 1.62 C ATOM 1706 CD1 TYR A 115 10.898 3.778 9.670 1.00 2.92 C ATOM 1707 CD2 TYR A 115 12.350 2.417 11.067 1.00 2.44 C ATOM 1708 CE1 TYR A 115 11.634 4.920 10.033 1.00 3.81 C ATOM 1709 CE2 TYR A 115 13.129 3.545 11.366 1.00 3.31 C ATOM 1710 CZ TYR A 115 12.789 4.792 10.822 1.00 3.71 C ATOM 1711 OH TYR A 115 13.540 5.885 11.135 1.00 4.83 O ATOM 0 H TYR A 115 9.799 -1.081 9.334 1.00 0.87 H new ATOM 0 HA TYR A 115 10.455 1.285 7.759 1.00 1.05 H new ATOM 0 HB2 TYR A 115 9.384 1.572 9.835 1.00 1.31 H new ATOM 0 HB3 TYR A 115 10.556 0.566 10.663 1.00 1.31 H new ATOM 0 HD1 TYR A 115 10.052 3.869 9.005 1.00 2.92 H new ATOM 0 HD2 TYR A 115 12.584 1.467 11.524 1.00 2.44 H new ATOM 0 HE1 TYR A 115 11.311 5.897 9.705 1.00 3.81 H new ATOM 0 HE2 TYR A 115 13.988 3.453 12.014 1.00 3.31 H new ATOM 0 HH TYR A 115 14.301 5.611 11.689 1.00 4.83 H new ATOM 1721 N ASN A 116 12.555 -0.112 7.077 1.00 0.95 N ATOM 1722 CA ASN A 116 13.890 -0.260 6.517 1.00 1.06 C ATOM 1723 C ASN A 116 14.722 -1.407 7.111 1.00 0.87 C ATOM 1724 O ASN A 116 15.238 -2.225 6.356 1.00 1.07 O ATOM 1725 CB ASN A 116 14.607 1.088 6.538 1.00 1.52 C ATOM 1726 CG ASN A 116 15.722 1.112 5.504 1.00 2.19 C ATOM 1727 OD1 ASN A 116 16.898 0.989 5.834 1.00 2.78 O ATOM 1728 ND2 ASN A 116 15.344 1.265 4.239 1.00 3.06 N ATOM 0 H ASN A 116 11.833 -0.328 6.390 1.00 0.95 H new ATOM 0 HA ASN A 116 13.766 -0.574 5.481 1.00 1.06 H new ATOM 0 HB2 ASN A 116 13.896 1.888 6.334 1.00 1.52 H new ATOM 0 HB3 ASN A 116 15.019 1.273 7.530 1.00 1.52 H new ATOM 0 HD21 ASN A 116 16.043 1.284 3.497 1.00 3.06 H new ATOM 0 HD22 ASN A 116 14.355 1.364 4.011 1.00 3.06 H new ATOM 1735 N GLN A 117 14.859 -1.489 8.440 1.00 0.78 N ATOM 1736 CA GLN A 117 15.477 -2.611 9.146 1.00 0.84 C ATOM 1737 C GLN A 117 14.680 -3.050 10.388 1.00 0.98 C ATOM 1738 O GLN A 117 15.167 -3.887 11.146 1.00 1.55 O ATOM 1739 CB GLN A 117 16.945 -2.326 9.527 1.00 1.21 C ATOM 1740 CG GLN A 117 17.636 -1.174 8.790 1.00 1.56 C ATOM 1741 CD GLN A 117 17.242 0.193 9.344 1.00 1.48 C ATOM 1742 OE1 GLN A 117 16.833 0.328 10.493 1.00 2.42 O ATOM 1743 NE2 GLN A 117 17.367 1.232 8.534 1.00 1.84 N ATOM 0 H GLN A 117 14.533 -0.755 9.069 1.00 0.78 H new ATOM 0 HA GLN A 117 15.463 -3.439 8.437 1.00 0.84 H new ATOM 0 HB2 GLN A 117 16.985 -2.118 10.596 1.00 1.21 H new ATOM 0 HB3 GLN A 117 17.523 -3.234 9.357 1.00 1.21 H new ATOM 0 HG2 GLN A 117 18.717 -1.295 8.865 1.00 1.56 H new ATOM 0 HG3 GLN A 117 17.383 -1.220 7.731 1.00 1.56 H new ATOM 0 HE21 GLN A 117 17.709 1.099 7.582 1.00 1.84 H new ATOM 0 HE22 GLN A 117 17.121 2.166 8.861 1.00 1.84 H new ATOM 1752 N ALA A 118 13.474 -2.515 10.628 1.00 0.87 N ATOM 1753 CA ALA A 118 12.654 -2.886 11.781 1.00 1.04 C ATOM 1754 C ALA A 118 11.180 -2.798 11.413 1.00 0.87 C ATOM 1755 O ALA A 118 10.778 -1.827 10.787 1.00 1.08 O ATOM 1756 CB ALA A 118 12.928 -1.923 12.940 1.00 1.31 C ATOM 0 H ALA A 118 13.043 -1.813 10.026 1.00 0.87 H new ATOM 0 HA ALA A 118 12.902 -3.905 12.077 1.00 1.04 H new ATOM 0 HB1 ALA A 118 12.316 -2.202 13.797 1.00 1.31 H new ATOM 0 HB2 ALA A 118 13.982 -1.974 13.214 1.00 1.31 H new ATOM 0 HB3 ALA A 118 12.682 -0.906 12.634 1.00 1.31 H new ATOM 1762 N GLU A 119 10.361 -3.777 11.795 1.00 0.84 N ATOM 1763 CA GLU A 119 8.921 -3.637 11.672 1.00 0.88 C ATOM 1764 C GLU A 119 8.408 -2.952 12.938 1.00 1.05 C ATOM 1765 O GLU A 119 8.554 -3.517 14.017 1.00 1.81 O ATOM 1766 CB GLU A 119 8.266 -5.021 11.505 1.00 1.35 C ATOM 1767 CG GLU A 119 6.819 -4.903 10.998 1.00 1.66 C ATOM 1768 CD GLU A 119 5.997 -6.162 11.239 1.00 2.56 C ATOM 1769 OE1 GLU A 119 5.704 -6.858 10.245 1.00 2.94 O ATOM 1770 OE2 GLU A 119 5.626 -6.378 12.417 1.00 3.71 O ATOM 0 H GLU A 119 10.671 -4.666 12.188 1.00 0.84 H new ATOM 0 HA GLU A 119 8.669 -3.041 10.795 1.00 0.88 H new ATOM 0 HB2 GLU A 119 8.850 -5.619 10.805 1.00 1.35 H new ATOM 0 HB3 GLU A 119 8.276 -5.547 12.460 1.00 1.35 H new ATOM 0 HG2 GLU A 119 6.335 -4.060 11.492 1.00 1.66 H new ATOM 0 HG3 GLU A 119 6.831 -4.683 9.930 1.00 1.66 H new ATOM 1777 N LYS A 120 7.786 -1.777 12.806 1.00 0.63 N ATOM 1778 CA LYS A 120 6.550 -1.404 13.476 1.00 0.62 C ATOM 1779 C LYS A 120 5.787 -0.365 12.647 1.00 0.68 C ATOM 1780 O LYS A 120 5.764 0.832 12.943 1.00 0.99 O ATOM 1781 CB LYS A 120 6.724 -1.005 14.949 1.00 0.91 C ATOM 1782 CG LYS A 120 6.696 -2.192 15.924 1.00 1.48 C ATOM 1783 CD LYS A 120 5.580 -3.218 15.679 1.00 1.80 C ATOM 1784 CE LYS A 120 5.981 -4.474 14.872 1.00 2.85 C ATOM 1785 NZ LYS A 120 4.896 -5.458 14.713 1.00 3.53 N ATOM 0 H LYS A 120 8.148 -1.036 12.206 1.00 0.63 H new ATOM 0 HA LYS A 120 5.936 -2.303 13.532 1.00 0.62 H new ATOM 0 HB2 LYS A 120 7.671 -0.477 15.063 1.00 0.91 H new ATOM 0 HB3 LYS A 120 5.934 -0.305 15.221 1.00 0.91 H new ATOM 0 HG2 LYS A 120 7.656 -2.705 15.873 1.00 1.48 H new ATOM 0 HG3 LYS A 120 6.595 -1.805 16.938 1.00 1.48 H new ATOM 0 HD2 LYS A 120 5.191 -3.540 16.645 1.00 1.80 H new ATOM 0 HD3 LYS A 120 4.764 -2.720 15.156 1.00 1.80 H new ATOM 0 HE2 LYS A 120 6.324 -4.164 13.885 1.00 2.85 H new ATOM 0 HE3 LYS A 120 6.825 -4.956 15.366 1.00 2.85 H new ATOM 0 HZ1 LYS A 120 4.878 -5.799 13.731 1.00 3.53 H new ATOM 0 HZ2 LYS A 120 5.058 -6.260 15.355 1.00 3.53 H new ATOM 0 HZ3 LYS A 120 3.985 -5.010 14.941 1.00 3.53 H new ATOM 1799 N GLY A 121 5.089 -0.871 11.631 1.00 0.55 N ATOM 1800 CA GLY A 121 3.944 -0.196 11.061 1.00 0.53 C ATOM 1801 C GLY A 121 3.061 -1.219 10.366 1.00 0.42 C ATOM 1802 O GLY A 121 3.494 -2.347 10.113 1.00 0.52 O ATOM 0 H GLY A 121 5.309 -1.762 11.186 1.00 0.55 H new ATOM 0 HA2 GLY A 121 3.383 0.317 11.842 1.00 0.53 H new ATOM 0 HA3 GLY A 121 4.270 0.564 10.351 1.00 0.53 H new ATOM 1806 N SER A 122 1.826 -0.828 10.070 1.00 0.52 N ATOM 1807 CA SER A 122 0.851 -1.637 9.372 1.00 0.49 C ATOM 1808 C SER A 122 -0.042 -0.742 8.533 1.00 0.45 C ATOM 1809 O SER A 122 -0.398 0.343 8.998 1.00 0.86 O ATOM 1810 CB SER A 122 0.041 -2.419 10.404 1.00 0.63 C ATOM 1811 OG SER A 122 -0.479 -1.537 11.383 1.00 0.73 O ATOM 0 H SER A 122 1.471 0.094 10.321 1.00 0.52 H new ATOM 0 HA SER A 122 1.343 -2.342 8.702 1.00 0.49 H new ATOM 0 HB2 SER A 122 -0.774 -2.950 9.912 1.00 0.63 H new ATOM 0 HB3 SER A 122 0.671 -3.171 10.879 1.00 0.63 H new ATOM 0 HG SER A 122 -0.998 -2.047 12.040 1.00 0.73 H new ATOM 1817 N TYR A 123 -0.418 -1.201 7.333 1.00 0.50 N ATOM 1818 CA TYR A 123 -1.314 -0.476 6.455 1.00 0.52 C ATOM 1819 C TYR A 123 -2.584 -1.239 6.125 1.00 0.52 C ATOM 1820 O TYR A 123 -2.622 -2.470 6.140 1.00 0.55 O ATOM 1821 CB TYR A 123 -0.593 0.095 5.220 1.00 0.92 C ATOM 1822 CG TYR A 123 -0.668 -0.637 3.887 1.00 0.72 C ATOM 1823 CD1 TYR A 123 -0.700 0.130 2.708 1.00 1.82 C ATOM 1824 CD2 TYR A 123 -0.588 -2.040 3.788 1.00 1.87 C ATOM 1825 CE1 TYR A 123 -0.739 -0.494 1.452 1.00 2.09 C ATOM 1826 CE2 TYR A 123 -0.694 -2.670 2.533 1.00 2.39 C ATOM 1827 CZ TYR A 123 -0.769 -1.894 1.361 1.00 1.95 C ATOM 1828 OH TYR A 123 -0.903 -2.466 0.128 1.00 2.66 O ATOM 0 H TYR A 123 -0.101 -2.092 6.951 1.00 0.50 H new ATOM 0 HA TYR A 123 -1.656 0.390 7.021 1.00 0.52 H new ATOM 0 HB2 TYR A 123 -0.976 1.103 5.058 1.00 0.92 H new ATOM 0 HB3 TYR A 123 0.462 0.193 5.477 1.00 0.92 H new ATOM 0 HD1 TYR A 123 -0.694 1.208 2.770 1.00 1.82 H new ATOM 0 HD2 TYR A 123 -0.445 -2.635 4.678 1.00 1.87 H new ATOM 0 HE1 TYR A 123 -0.746 0.105 0.553 1.00 2.09 H new ATOM 0 HE2 TYR A 123 -0.718 -3.748 2.470 1.00 2.39 H new ATOM 0 HH TYR A 123 -0.724 -1.796 -0.565 1.00 2.66 H new ATOM 1838 N SER A 124 -3.625 -0.460 5.843 1.00 0.66 N ATOM 1839 CA SER A 124 -4.950 -0.886 5.453 1.00 0.84 C ATOM 1840 C SER A 124 -5.246 -0.133 4.164 1.00 0.84 C ATOM 1841 O SER A 124 -5.427 1.088 4.209 1.00 1.00 O ATOM 1842 CB SER A 124 -5.939 -0.510 6.566 1.00 1.00 C ATOM 1843 OG SER A 124 -5.613 0.743 7.149 1.00 2.09 O ATOM 0 H SER A 124 -3.551 0.556 5.887 1.00 0.66 H new ATOM 0 HA SER A 124 -5.031 -1.962 5.299 1.00 0.84 H new ATOM 0 HB2 SER A 124 -6.949 -0.471 6.159 1.00 1.00 H new ATOM 0 HB3 SER A 124 -5.934 -1.283 7.335 1.00 1.00 H new ATOM 0 HG SER A 124 -5.274 1.348 6.456 1.00 2.09 H new ATOM 1849 N LEU A 125 -5.213 -0.840 3.030 1.00 0.76 N ATOM 1850 CA LEU A 125 -5.364 -0.224 1.713 1.00 0.80 C ATOM 1851 C LEU A 125 -6.434 -0.912 0.884 1.00 0.80 C ATOM 1852 O LEU A 125 -6.396 -2.116 0.712 1.00 0.79 O ATOM 1853 CB LEU A 125 -4.007 -0.231 1.011 1.00 0.82 C ATOM 1854 CG LEU A 125 -3.990 0.246 -0.451 1.00 0.85 C ATOM 1855 CD1 LEU A 125 -4.326 -0.849 -1.471 1.00 0.89 C ATOM 1856 CD2 LEU A 125 -4.741 1.548 -0.709 1.00 0.96 C ATOM 0 H LEU A 125 -5.081 -1.851 3.002 1.00 0.76 H new ATOM 0 HA LEU A 125 -5.700 0.806 1.835 1.00 0.80 H new ATOM 0 HB2 LEU A 125 -3.323 0.397 1.583 1.00 0.82 H new ATOM 0 HB3 LEU A 125 -3.611 -1.246 1.044 1.00 0.82 H new ATOM 0 HG LEU A 125 -2.942 0.493 -0.620 1.00 0.85 H new ATOM 0 HD11 LEU A 125 -4.293 -0.431 -2.477 1.00 0.89 H new ATOM 0 HD12 LEU A 125 -3.600 -1.658 -1.389 1.00 0.89 H new ATOM 0 HD13 LEU A 125 -5.325 -1.237 -1.272 1.00 0.89 H new ATOM 0 HD21 LEU A 125 -4.673 1.804 -1.766 1.00 0.96 H new ATOM 0 HD22 LEU A 125 -5.788 1.425 -0.432 1.00 0.96 H new ATOM 0 HD23 LEU A 125 -4.299 2.347 -0.114 1.00 0.96 H new ATOM 1868 N GLY A 126 -7.350 -0.145 0.306 1.00 0.88 N ATOM 1869 CA GLY A 126 -8.414 -0.636 -0.552 1.00 0.81 C ATOM 1870 C GLY A 126 -8.155 -0.236 -1.997 1.00 0.79 C ATOM 1871 O GLY A 126 -8.051 0.947 -2.310 1.00 1.35 O ATOM 0 H GLY A 126 -7.371 0.868 0.427 1.00 0.88 H new ATOM 0 HA2 GLY A 126 -8.481 -1.721 -0.475 1.00 0.81 H new ATOM 0 HA3 GLY A 126 -9.372 -0.233 -0.222 1.00 0.81 H new ATOM 1875 N ILE A 127 -8.072 -1.218 -2.892 1.00 1.04 N ATOM 1876 CA ILE A 127 -8.009 -0.955 -4.323 1.00 1.12 C ATOM 1877 C ILE A 127 -9.424 -0.655 -4.806 1.00 1.12 C ATOM 1878 O ILE A 127 -10.353 -1.368 -4.423 1.00 1.32 O ATOM 1879 CB ILE A 127 -7.372 -2.141 -5.057 1.00 1.48 C ATOM 1880 CG1 ILE A 127 -7.313 -1.831 -6.558 1.00 1.41 C ATOM 1881 CG2 ILE A 127 -8.067 -3.488 -4.818 1.00 2.01 C ATOM 1882 CD1 ILE A 127 -6.692 -2.984 -7.328 1.00 2.90 C ATOM 0 H ILE A 127 -8.047 -2.208 -2.647 1.00 1.04 H new ATOM 0 HA ILE A 127 -7.377 -0.093 -4.536 1.00 1.12 H new ATOM 0 HB ILE A 127 -6.371 -2.259 -4.642 1.00 1.48 H new ATOM 0 HG12 ILE A 127 -8.318 -1.638 -6.933 1.00 1.41 H new ATOM 0 HG13 ILE A 127 -6.732 -0.924 -6.723 1.00 1.41 H new ATOM 0 HG21 ILE A 127 -7.549 -4.269 -5.376 1.00 2.01 H new ATOM 0 HG22 ILE A 127 -8.044 -3.726 -3.754 1.00 2.01 H new ATOM 0 HG23 ILE A 127 -9.102 -3.428 -5.154 1.00 2.01 H new ATOM 0 HD11 ILE A 127 -6.662 -2.738 -8.390 1.00 2.90 H new ATOM 0 HD12 ILE A 127 -5.678 -3.158 -6.967 1.00 2.90 H new ATOM 0 HD13 ILE A 127 -7.289 -3.884 -7.180 1.00 2.90 H new ATOM 1894 N PHE A 128 -9.616 0.417 -5.587 1.00 1.03 N ATOM 1895 CA PHE A 128 -10.963 0.927 -5.796 1.00 1.11 C ATOM 1896 C PHE A 128 -11.076 1.838 -7.025 1.00 1.42 C ATOM 1897 O PHE A 128 -10.263 1.801 -7.959 1.00 1.63 O ATOM 1898 CB PHE A 128 -11.430 1.623 -4.494 1.00 2.28 C ATOM 1899 CG PHE A 128 -12.905 1.457 -4.174 1.00 2.99 C ATOM 1900 CD1 PHE A 128 -13.759 2.577 -4.119 1.00 3.35 C ATOM 1901 CD2 PHE A 128 -13.404 0.184 -3.837 1.00 4.31 C ATOM 1902 CE1 PHE A 128 -15.114 2.412 -3.783 1.00 4.39 C ATOM 1903 CE2 PHE A 128 -14.751 0.026 -3.471 1.00 5.30 C ATOM 1904 CZ PHE A 128 -15.611 1.138 -3.459 1.00 5.16 C ATOM 0 H PHE A 128 -8.876 0.929 -6.068 1.00 1.03 H new ATOM 0 HA PHE A 128 -11.627 0.091 -6.017 1.00 1.11 H new ATOM 0 HB2 PHE A 128 -10.846 1.232 -3.661 1.00 2.28 H new ATOM 0 HB3 PHE A 128 -11.207 2.687 -4.568 1.00 2.28 H new ATOM 0 HD1 PHE A 128 -13.372 3.562 -4.335 1.00 3.35 H new ATOM 0 HD2 PHE A 128 -12.749 -0.674 -3.860 1.00 4.31 H new ATOM 0 HE1 PHE A 128 -15.775 3.266 -3.774 1.00 4.39 H new ATOM 0 HE2 PHE A 128 -15.126 -0.950 -3.199 1.00 5.30 H new ATOM 0 HZ PHE A 128 -16.652 1.013 -3.201 1.00 5.16 H new ATOM 1914 N GLY A 129 -12.147 2.632 -7.020 1.00 2.44 N ATOM 1915 CA GLY A 129 -12.477 3.640 -8.006 1.00 3.71 C ATOM 1916 C GLY A 129 -13.483 3.071 -8.998 1.00 3.26 C ATOM 1917 O GLY A 129 -14.570 3.613 -9.170 1.00 4.01 O ATOM 0 H GLY A 129 -12.845 2.579 -6.278 1.00 2.44 H new ATOM 0 HA2 GLY A 129 -12.892 4.521 -7.516 1.00 3.71 H new ATOM 0 HA3 GLY A 129 -11.576 3.961 -8.529 1.00 3.71 H new ATOM 1921 N GLY A 130 -13.148 1.941 -9.630 1.00 2.40 N ATOM 1922 CA GLY A 130 -14.051 1.339 -10.601 1.00 2.56 C ATOM 1923 C GLY A 130 -13.537 0.002 -11.116 1.00 2.10 C ATOM 1924 O GLY A 130 -14.297 -0.962 -11.165 1.00 2.87 O ATOM 0 H GLY A 130 -12.273 1.437 -9.487 1.00 2.40 H new ATOM 0 HA2 GLY A 130 -15.030 1.198 -10.144 1.00 2.56 H new ATOM 0 HA3 GLY A 130 -14.186 2.021 -11.440 1.00 2.56 H new ATOM 1928 N LYS A 131 -12.257 -0.050 -11.497 1.00 1.59 N ATOM 1929 CA LYS A 131 -11.616 -1.241 -12.050 1.00 1.82 C ATOM 1930 C LYS A 131 -10.095 -1.142 -11.882 1.00 1.49 C ATOM 1931 O LYS A 131 -9.352 -1.303 -12.844 1.00 1.87 O ATOM 1932 CB LYS A 131 -12.028 -1.435 -13.523 1.00 2.26 C ATOM 1933 CG LYS A 131 -11.780 -0.181 -14.379 1.00 2.06 C ATOM 1934 CD LYS A 131 -11.682 -0.528 -15.870 1.00 2.64 C ATOM 1935 CE LYS A 131 -11.356 0.739 -16.676 1.00 2.89 C ATOM 1936 NZ LYS A 131 -11.119 0.452 -18.107 1.00 4.05 N ATOM 0 H LYS A 131 -11.628 0.750 -11.427 1.00 1.59 H new ATOM 0 HA LYS A 131 -11.951 -2.123 -11.503 1.00 1.82 H new ATOM 0 HB2 LYS A 131 -11.472 -2.273 -13.944 1.00 2.26 H new ATOM 0 HB3 LYS A 131 -13.085 -1.698 -13.569 1.00 2.26 H new ATOM 0 HG2 LYS A 131 -12.589 0.533 -14.223 1.00 2.06 H new ATOM 0 HG3 LYS A 131 -10.859 0.305 -14.056 1.00 2.06 H new ATOM 0 HD2 LYS A 131 -10.909 -1.280 -16.028 1.00 2.64 H new ATOM 0 HD3 LYS A 131 -12.622 -0.959 -16.216 1.00 2.64 H new ATOM 0 HE2 LYS A 131 -12.179 1.448 -16.582 1.00 2.89 H new ATOM 0 HE3 LYS A 131 -10.473 1.218 -16.253 1.00 2.89 H new ATOM 0 HZ1 LYS A 131 -10.903 1.338 -18.608 1.00 4.05 H new ATOM 0 HZ2 LYS A 131 -10.317 -0.203 -18.201 1.00 4.05 H new ATOM 0 HZ3 LYS A 131 -11.970 0.019 -18.520 1.00 4.05 H new ATOM 1950 N ALA A 132 -9.651 -0.830 -10.660 1.00 1.13 N ATOM 1951 CA ALA A 132 -8.264 -0.578 -10.296 1.00 0.99 C ATOM 1952 C ALA A 132 -7.817 0.722 -10.957 1.00 1.08 C ATOM 1953 O ALA A 132 -6.947 0.732 -11.823 1.00 1.52 O ATOM 1954 CB ALA A 132 -7.355 -1.765 -10.630 1.00 1.23 C ATOM 0 H ALA A 132 -10.284 -0.744 -9.864 1.00 1.13 H new ATOM 0 HA ALA A 132 -8.185 -0.463 -9.215 1.00 0.99 H new ATOM 0 HB1 ALA A 132 -6.330 -1.531 -10.341 1.00 1.23 H new ATOM 0 HB2 ALA A 132 -7.693 -2.647 -10.086 1.00 1.23 H new ATOM 0 HB3 ALA A 132 -7.394 -1.963 -11.701 1.00 1.23 H new ATOM 1960 N GLN A 133 -8.454 1.817 -10.534 1.00 0.87 N ATOM 1961 CA GLN A 133 -8.181 3.167 -11.022 1.00 0.99 C ATOM 1962 C GLN A 133 -7.758 4.102 -9.887 1.00 0.81 C ATOM 1963 O GLN A 133 -6.984 5.025 -10.125 1.00 0.91 O ATOM 1964 CB GLN A 133 -9.344 3.691 -11.866 1.00 1.36 C ATOM 1965 CG GLN A 133 -10.653 3.808 -11.084 1.00 1.49 C ATOM 1966 CD GLN A 133 -11.861 3.840 -12.009 1.00 1.79 C ATOM 1967 OE1 GLN A 133 -12.655 4.771 -11.991 1.00 2.51 O ATOM 1968 NE2 GLN A 133 -12.022 2.795 -12.817 1.00 2.35 N ATOM 0 H GLN A 133 -9.189 1.787 -9.828 1.00 0.87 H new ATOM 0 HA GLN A 133 -7.323 3.129 -11.693 1.00 0.99 H new ATOM 0 HB2 GLN A 133 -9.080 4.669 -12.268 1.00 1.36 H new ATOM 0 HB3 GLN A 133 -9.495 3.027 -12.717 1.00 1.36 H new ATOM 0 HG2 GLN A 133 -10.743 2.966 -10.397 1.00 1.49 H new ATOM 0 HG3 GLN A 133 -10.635 4.714 -10.478 1.00 1.49 H new ATOM 0 HE21 GLN A 133 -11.342 2.034 -12.809 1.00 2.35 H new ATOM 0 HE22 GLN A 133 -12.825 2.755 -13.445 1.00 2.35 H new ATOM 1977 N GLU A 134 -8.196 3.836 -8.652 1.00 0.79 N ATOM 1978 CA GLU A 134 -7.666 4.467 -7.458 1.00 0.82 C ATOM 1979 C GLU A 134 -7.133 3.355 -6.559 1.00 0.94 C ATOM 1980 O GLU A 134 -7.545 2.198 -6.706 1.00 1.64 O ATOM 1981 CB GLU A 134 -8.794 5.225 -6.750 1.00 1.20 C ATOM 1982 CG GLU A 134 -9.418 6.298 -7.652 1.00 1.36 C ATOM 1983 CD GLU A 134 -10.597 6.977 -6.970 1.00 2.20 C ATOM 1984 OE1 GLU A 134 -10.685 8.218 -7.094 1.00 2.09 O ATOM 1985 OE2 GLU A 134 -11.391 6.236 -6.350 1.00 3.77 O ATOM 0 H GLU A 134 -8.940 3.165 -8.460 1.00 0.79 H new ATOM 0 HA GLU A 134 -6.872 5.173 -7.699 1.00 0.82 H new ATOM 0 HB2 GLU A 134 -9.565 4.520 -6.438 1.00 1.20 H new ATOM 0 HB3 GLU A 134 -8.405 5.693 -5.846 1.00 1.20 H new ATOM 0 HG2 GLU A 134 -8.665 7.043 -7.908 1.00 1.36 H new ATOM 0 HG3 GLU A 134 -9.748 5.844 -8.586 1.00 1.36 H new ATOM 1992 N VAL A 135 -6.247 3.695 -5.622 1.00 0.63 N ATOM 1993 CA VAL A 135 -6.090 2.912 -4.405 1.00 0.63 C ATOM 1994 C VAL A 135 -6.175 3.895 -3.244 1.00 0.71 C ATOM 1995 O VAL A 135 -5.627 4.995 -3.336 1.00 1.12 O ATOM 1996 CB VAL A 135 -4.865 1.966 -4.389 1.00 0.68 C ATOM 1997 CG1 VAL A 135 -4.648 1.284 -5.737 1.00 0.88 C ATOM 1998 CG2 VAL A 135 -3.495 2.503 -3.947 1.00 1.04 C ATOM 0 H VAL A 135 -5.631 4.505 -5.686 1.00 0.63 H new ATOM 0 HA VAL A 135 -6.894 2.180 -4.323 1.00 0.63 H new ATOM 0 HB VAL A 135 -5.183 1.292 -3.594 1.00 0.68 H new ATOM 0 HG11 VAL A 135 -3.778 0.630 -5.678 1.00 0.88 H new ATOM 0 HG12 VAL A 135 -5.528 0.694 -5.992 1.00 0.88 H new ATOM 0 HG13 VAL A 135 -4.483 2.040 -6.505 1.00 0.88 H new ATOM 0 HG21 VAL A 135 -2.757 1.703 -3.998 1.00 1.04 H new ATOM 0 HG22 VAL A 135 -3.194 3.318 -4.606 1.00 1.04 H new ATOM 0 HG23 VAL A 135 -3.561 2.870 -2.923 1.00 1.04 H new ATOM 2008 N ALA A 136 -6.938 3.526 -2.216 1.00 0.64 N ATOM 2009 CA ALA A 136 -7.334 4.405 -1.121 1.00 0.66 C ATOM 2010 C ALA A 136 -7.136 3.679 0.208 1.00 0.73 C ATOM 2011 O ALA A 136 -7.732 2.626 0.431 1.00 0.95 O ATOM 2012 CB ALA A 136 -8.797 4.814 -1.307 1.00 0.87 C ATOM 0 H ALA A 136 -7.307 2.580 -2.121 1.00 0.64 H new ATOM 0 HA ALA A 136 -6.718 5.304 -1.119 1.00 0.66 H new ATOM 0 HB1 ALA A 136 -9.098 5.471 -0.491 1.00 0.87 H new ATOM 0 HB2 ALA A 136 -8.910 5.338 -2.256 1.00 0.87 H new ATOM 0 HB3 ALA A 136 -9.426 3.924 -1.307 1.00 0.87 H new ATOM 2018 N GLY A 137 -6.246 4.184 1.062 1.00 0.68 N ATOM 2019 CA GLY A 137 -5.866 3.530 2.300 1.00 0.82 C ATOM 2020 C GLY A 137 -5.284 4.503 3.304 1.00 0.72 C ATOM 2021 O GLY A 137 -5.093 5.691 3.029 1.00 0.71 O ATOM 0 H GLY A 137 -5.766 5.070 0.905 1.00 0.68 H new ATOM 0 HA2 GLY A 137 -6.738 3.041 2.734 1.00 0.82 H new ATOM 0 HA3 GLY A 137 -5.136 2.749 2.087 1.00 0.82 H new ATOM 2025 N SER A 138 -4.933 3.977 4.472 1.00 0.80 N ATOM 2026 CA SER A 138 -3.970 4.630 5.337 1.00 0.68 C ATOM 2027 C SER A 138 -3.123 3.565 6.021 1.00 0.69 C ATOM 2028 O SER A 138 -3.568 2.424 6.178 1.00 0.90 O ATOM 2029 CB SER A 138 -4.678 5.538 6.347 1.00 1.10 C ATOM 2030 OG SER A 138 -5.324 6.606 5.679 1.00 1.98 O ATOM 0 H SER A 138 -5.304 3.100 4.838 1.00 0.80 H new ATOM 0 HA SER A 138 -3.314 5.271 4.748 1.00 0.68 H new ATOM 0 HB2 SER A 138 -5.408 4.961 6.916 1.00 1.10 H new ATOM 0 HB3 SER A 138 -3.955 5.931 7.062 1.00 1.10 H new ATOM 0 HG SER A 138 -5.215 6.500 4.711 1.00 1.98 H new ATOM 2036 N ALA A 139 -1.906 3.954 6.408 1.00 0.68 N ATOM 2037 CA ALA A 139 -1.051 3.200 7.303 1.00 0.80 C ATOM 2038 C ALA A 139 -0.870 3.915 8.631 1.00 0.77 C ATOM 2039 O ALA A 139 -0.906 5.144 8.680 1.00 0.75 O ATOM 2040 CB ALA A 139 0.315 2.929 6.663 1.00 0.95 C ATOM 0 H ALA A 139 -1.484 4.828 6.094 1.00 0.68 H new ATOM 0 HA ALA A 139 -1.544 2.246 7.492 1.00 0.80 H new ATOM 0 HB1 ALA A 139 0.936 2.362 7.357 1.00 0.95 H new ATOM 0 HB2 ALA A 139 0.180 2.356 5.746 1.00 0.95 H new ATOM 0 HB3 ALA A 139 0.802 3.876 6.431 1.00 0.95 H new ATOM 2046 N GLU A 140 -0.627 3.121 9.676 1.00 0.87 N ATOM 2047 CA GLU A 140 0.039 3.586 10.882 1.00 0.84 C ATOM 2048 C GLU A 140 1.473 3.068 10.823 1.00 0.75 C ATOM 2049 O GLU A 140 1.674 1.857 10.759 1.00 0.97 O ATOM 2050 CB GLU A 140 -0.682 3.142 12.163 1.00 0.99 C ATOM 2051 CG GLU A 140 0.192 3.475 13.395 1.00 2.17 C ATOM 2052 CD GLU A 140 -0.546 4.013 14.613 1.00 2.58 C ATOM 2053 OE1 GLU A 140 -1.760 4.283 14.529 1.00 2.76 O ATOM 2054 OE2 GLU A 140 0.146 4.268 15.625 1.00 3.60 O ATOM 0 H GLU A 140 -0.890 2.136 9.704 1.00 0.87 H new ATOM 0 HA GLU A 140 0.025 4.675 10.921 1.00 0.84 H new ATOM 0 HB2 GLU A 140 -1.646 3.645 12.242 1.00 0.99 H new ATOM 0 HB3 GLU A 140 -0.883 2.071 12.126 1.00 0.99 H new ATOM 0 HG2 GLU A 140 0.728 2.573 13.689 1.00 2.17 H new ATOM 0 HG3 GLU A 140 0.941 4.208 13.096 1.00 2.17 H new ATOM 2061 N VAL A 141 2.463 3.963 10.853 1.00 0.78 N ATOM 2062 CA VAL A 141 3.869 3.595 10.963 1.00 0.76 C ATOM 2063 C VAL A 141 4.427 4.316 12.178 1.00 0.77 C ATOM 2064 O VAL A 141 4.310 5.531 12.244 1.00 1.07 O ATOM 2065 CB VAL A 141 4.621 3.954 9.672 1.00 0.86 C ATOM 2066 CG1 VAL A 141 6.048 3.387 9.710 1.00 1.64 C ATOM 2067 CG2 VAL A 141 3.878 3.396 8.454 1.00 1.86 C ATOM 0 H VAL A 141 2.306 4.970 10.801 1.00 0.78 H new ATOM 0 HA VAL A 141 3.990 2.519 11.093 1.00 0.76 H new ATOM 0 HB VAL A 141 4.672 5.040 9.594 1.00 0.86 H new ATOM 0 HG11 VAL A 141 6.568 3.649 8.789 1.00 1.64 H new ATOM 0 HG12 VAL A 141 6.584 3.807 10.562 1.00 1.64 H new ATOM 0 HG13 VAL A 141 6.006 2.302 9.807 1.00 1.64 H new ATOM 0 HG21 VAL A 141 4.421 3.657 7.546 1.00 1.86 H new ATOM 0 HG22 VAL A 141 3.808 2.311 8.536 1.00 1.86 H new ATOM 0 HG23 VAL A 141 2.876 3.822 8.413 1.00 1.86 H new ATOM 2077 N LYS A 142 4.981 3.598 13.157 1.00 0.70 N ATOM 2078 CA LYS A 142 5.328 4.175 14.449 1.00 0.86 C ATOM 2079 C LYS A 142 6.747 3.755 14.825 1.00 1.03 C ATOM 2080 O LYS A 142 6.982 2.635 15.271 1.00 1.30 O ATOM 2081 CB LYS A 142 4.265 3.777 15.487 1.00 0.99 C ATOM 2082 CG LYS A 142 4.320 2.284 15.834 1.00 1.15 C ATOM 2083 CD LYS A 142 2.974 1.662 16.234 1.00 1.46 C ATOM 2084 CE LYS A 142 2.400 2.177 17.562 1.00 2.48 C ATOM 2085 NZ LYS A 142 1.862 3.547 17.455 1.00 3.07 N ATOM 0 H LYS A 142 5.199 2.605 13.073 1.00 0.70 H new ATOM 0 HA LYS A 142 5.328 5.264 14.409 1.00 0.86 H new ATOM 0 HB2 LYS A 142 4.409 4.364 16.394 1.00 0.99 H new ATOM 0 HB3 LYS A 142 3.275 4.022 15.102 1.00 0.99 H new ATOM 0 HG2 LYS A 142 4.714 1.741 14.975 1.00 1.15 H new ATOM 0 HG3 LYS A 142 5.026 2.142 16.652 1.00 1.15 H new ATOM 0 HD2 LYS A 142 2.250 1.854 15.442 1.00 1.46 H new ATOM 0 HD3 LYS A 142 3.094 0.581 16.300 1.00 1.46 H new ATOM 0 HE2 LYS A 142 1.609 1.505 17.896 1.00 2.48 H new ATOM 0 HE3 LYS A 142 3.180 2.155 18.323 1.00 2.48 H new ATOM 0 HZ1 LYS A 142 1.070 3.662 18.120 1.00 3.07 H new ATOM 0 HZ2 LYS A 142 2.610 4.232 17.685 1.00 3.07 H new ATOM 0 HZ3 LYS A 142 1.526 3.713 16.485 1.00 3.07 H new ATOM 2099 N THR A 143 7.712 4.650 14.643 1.00 1.05 N ATOM 2100 CA THR A 143 9.083 4.381 15.045 1.00 1.22 C ATOM 2101 C THR A 143 9.676 5.708 15.486 1.00 1.11 C ATOM 2102 O THR A 143 8.997 6.736 15.410 1.00 1.01 O ATOM 2103 CB THR A 143 9.903 3.755 13.896 1.00 1.41 C ATOM 2104 OG1 THR A 143 10.207 4.728 12.918 1.00 1.83 O ATOM 2105 CG2 THR A 143 9.222 2.552 13.235 1.00 2.27 C ATOM 0 H THR A 143 7.568 5.567 14.220 1.00 1.05 H new ATOM 0 HA THR A 143 9.107 3.654 15.857 1.00 1.22 H new ATOM 0 HB THR A 143 10.819 3.382 14.354 1.00 1.41 H new ATOM 0 HG1 THR A 143 10.952 4.414 12.365 1.00 1.83 H new ATOM 0 HG21 THR A 143 9.858 2.167 12.438 1.00 2.27 H new ATOM 0 HG22 THR A 143 9.060 1.772 13.979 1.00 2.27 H new ATOM 0 HG23 THR A 143 8.264 2.861 12.818 1.00 2.27 H new ATOM 2113 N VAL A 144 10.964 5.691 15.836 1.00 1.21 N ATOM 2114 CA VAL A 144 11.791 6.882 15.953 1.00 1.23 C ATOM 2115 C VAL A 144 11.527 7.878 14.812 1.00 1.23 C ATOM 2116 O VAL A 144 11.610 9.081 15.045 1.00 1.33 O ATOM 2117 CB VAL A 144 13.271 6.470 16.086 1.00 1.39 C ATOM 2118 CG1 VAL A 144 13.770 5.616 14.912 1.00 3.29 C ATOM 2119 CG2 VAL A 144 14.179 7.694 16.271 1.00 2.67 C ATOM 0 H VAL A 144 11.466 4.829 16.049 1.00 1.21 H new ATOM 0 HA VAL A 144 11.520 7.422 16.860 1.00 1.23 H new ATOM 0 HB VAL A 144 13.324 5.848 16.980 1.00 1.39 H new ATOM 0 HG11 VAL A 144 14.818 5.360 15.068 1.00 3.29 H new ATOM 0 HG12 VAL A 144 13.179 4.702 14.850 1.00 3.29 H new ATOM 0 HG13 VAL A 144 13.668 6.178 13.984 1.00 3.29 H new ATOM 0 HG21 VAL A 144 15.215 7.368 16.362 1.00 2.67 H new ATOM 0 HG22 VAL A 144 14.080 8.354 15.409 1.00 2.67 H new ATOM 0 HG23 VAL A 144 13.887 8.230 17.174 1.00 2.67 H new ATOM 2129 N ASN A 145 11.158 7.410 13.608 1.00 1.24 N ATOM 2130 CA ASN A 145 10.608 8.307 12.591 1.00 1.29 C ATOM 2131 C ASN A 145 9.526 7.564 11.814 1.00 1.29 C ATOM 2132 O ASN A 145 9.557 7.495 10.589 1.00 1.51 O ATOM 2133 CB ASN A 145 11.683 8.837 11.626 1.00 1.66 C ATOM 2134 CG ASN A 145 12.965 9.281 12.312 1.00 1.52 C ATOM 2135 OD1 ASN A 145 13.149 10.447 12.640 1.00 2.41 O ATOM 2136 ND2 ASN A 145 13.866 8.329 12.520 1.00 1.48 N ATOM 0 H ASN A 145 11.230 6.433 13.323 1.00 1.24 H new ATOM 0 HA ASN A 145 10.188 9.176 13.099 1.00 1.29 H new ATOM 0 HB2 ASN A 145 11.922 8.059 10.901 1.00 1.66 H new ATOM 0 HB3 ASN A 145 11.272 9.678 11.067 1.00 1.66 H new ATOM 0 HD21 ASN A 145 14.753 8.556 12.969 1.00 1.48 H new ATOM 0 HD22 ASN A 145 13.671 7.370 12.231 1.00 1.48 H new ATOM 2143 N GLY A 146 8.525 7.058 12.530 1.00 1.15 N ATOM 2144 CA GLY A 146 7.344 6.484 11.911 1.00 1.22 C ATOM 2145 C GLY A 146 6.261 7.529 12.050 1.00 0.80 C ATOM 2146 O GLY A 146 5.802 7.803 13.161 1.00 0.81 O ATOM 0 H GLY A 146 8.514 7.036 13.550 1.00 1.15 H new ATOM 0 HA2 GLY A 146 7.527 6.247 10.863 1.00 1.22 H new ATOM 0 HA3 GLY A 146 7.057 5.555 12.403 1.00 1.22 H new ATOM 2150 N ILE A 147 5.885 8.152 10.935 1.00 0.62 N ATOM 2151 CA ILE A 147 5.050 9.336 10.951 1.00 0.69 C ATOM 2152 C ILE A 147 3.568 8.937 11.000 1.00 0.99 C ATOM 2153 O ILE A 147 2.789 9.332 10.135 1.00 2.05 O ATOM 2154 CB ILE A 147 5.413 10.253 9.750 1.00 0.95 C ATOM 2155 CG1 ILE A 147 5.722 9.504 8.435 1.00 1.18 C ATOM 2156 CG2 ILE A 147 6.545 11.209 10.143 1.00 1.81 C ATOM 2157 CD1 ILE A 147 7.200 9.159 8.194 1.00 1.17 C ATOM 0 H ILE A 147 6.154 7.846 10.000 1.00 0.62 H new ATOM 0 HA ILE A 147 5.236 9.920 11.852 1.00 0.69 H new ATOM 0 HB ILE A 147 4.515 10.828 9.523 1.00 0.95 H new ATOM 0 HG12 ILE A 147 5.146 8.579 8.422 1.00 1.18 H new ATOM 0 HG13 ILE A 147 5.369 10.111 7.601 1.00 1.18 H new ATOM 0 HG21 ILE A 147 6.793 11.848 9.295 1.00 1.81 H new ATOM 0 HG22 ILE A 147 6.224 11.827 10.982 1.00 1.81 H new ATOM 0 HG23 ILE A 147 7.424 10.633 10.432 1.00 1.81 H new ATOM 0 HD11 ILE A 147 7.301 8.635 7.243 1.00 1.17 H new ATOM 0 HD12 ILE A 147 7.788 10.076 8.167 1.00 1.17 H new ATOM 0 HD13 ILE A 147 7.561 8.520 9.000 1.00 1.17 H new ATOM 2169 N ARG A 148 3.202 8.181 12.048 1.00 0.65 N ATOM 2170 CA ARG A 148 1.932 7.485 12.249 1.00 0.70 C ATOM 2171 C ARG A 148 1.032 7.454 11.021 1.00 0.71 C ATOM 2172 O ARG A 148 1.208 6.572 10.185 1.00 1.33 O ATOM 2173 CB ARG A 148 1.218 7.942 13.524 1.00 0.92 C ATOM 2174 CG ARG A 148 1.892 7.318 14.754 1.00 1.82 C ATOM 2175 CD ARG A 148 1.097 7.599 16.037 1.00 2.10 C ATOM 2176 NE ARG A 148 -0.219 6.930 15.982 1.00 1.99 N ATOM 2177 CZ ARG A 148 -1.381 7.503 15.626 1.00 2.15 C ATOM 2178 NH1 ARG A 148 -1.539 8.829 15.667 1.00 2.74 N ATOM 2179 NH2 ARG A 148 -2.390 6.765 15.168 1.00 2.48 N ATOM 0 H ARG A 148 3.837 8.033 12.832 1.00 0.65 H new ATOM 0 HA ARG A 148 2.194 6.438 12.403 1.00 0.70 H new ATOM 0 HB2 ARG A 148 1.245 9.029 13.596 1.00 0.92 H new ATOM 0 HB3 ARG A 148 0.168 7.651 13.487 1.00 0.92 H new ATOM 0 HG2 ARG A 148 1.985 6.241 14.612 1.00 1.82 H new ATOM 0 HG3 ARG A 148 2.902 7.715 14.857 1.00 1.82 H new ATOM 0 HD2 ARG A 148 1.656 7.246 16.904 1.00 2.10 H new ATOM 0 HD3 ARG A 148 0.961 8.673 16.161 1.00 2.10 H new ATOM 0 HE ARG A 148 -0.248 5.943 16.238 1.00 1.99 H new ATOM 0 HH11 ARG A 148 -0.770 9.425 15.973 1.00 2.74 H new ATOM 0 HH12 ARG A 148 -2.429 9.245 15.393 1.00 2.74 H new ATOM 0 HH21 ARG A 148 -2.285 5.754 15.084 1.00 2.48 H new ATOM 0 HH22 ARG A 148 -3.268 7.211 14.901 1.00 2.48 H new ATOM 2193 N HIS A 149 0.062 8.370 10.949 1.00 0.62 N ATOM 2194 CA HIS A 149 -0.938 8.398 9.898 1.00 0.83 C ATOM 2195 C HIS A 149 -0.269 8.714 8.563 1.00 0.79 C ATOM 2196 O HIS A 149 -0.079 9.881 8.231 1.00 0.90 O ATOM 2197 CB HIS A 149 -2.024 9.431 10.230 1.00 1.09 C ATOM 2198 CG HIS A 149 -2.815 9.093 11.468 1.00 1.27 C ATOM 2199 ND1 HIS A 149 -3.988 8.376 11.513 1.00 2.72 N ATOM 2200 CD2 HIS A 149 -2.485 9.425 12.753 1.00 0.96 C ATOM 2201 CE1 HIS A 149 -4.353 8.280 12.805 1.00 2.44 C ATOM 2202 NE2 HIS A 149 -3.456 8.883 13.608 1.00 1.08 N ATOM 0 H HIS A 149 -0.045 9.120 11.632 1.00 0.62 H new ATOM 0 HA HIS A 149 -1.415 7.421 9.823 1.00 0.83 H new ATOM 0 HB2 HIS A 149 -1.558 10.407 10.361 1.00 1.09 H new ATOM 0 HB3 HIS A 149 -2.706 9.515 9.384 1.00 1.09 H new ATOM 0 HD1 HIS A 149 -4.489 7.988 10.714 1.00 2.72 H new ATOM 0 HD2 HIS A 149 -1.626 10.004 13.057 1.00 0.96 H new ATOM 0 HE1 HIS A 149 -5.248 7.784 13.152 1.00 2.44 H new ATOM 2210 N ILE A 150 0.064 7.678 7.794 1.00 0.77 N ATOM 2211 CA ILE A 150 0.489 7.832 6.416 1.00 0.73 C ATOM 2212 C ILE A 150 -0.754 7.646 5.544 1.00 0.80 C ATOM 2213 O ILE A 150 -1.358 6.575 5.558 1.00 0.97 O ATOM 2214 CB ILE A 150 1.616 6.841 6.079 1.00 0.77 C ATOM 2215 CG1 ILE A 150 2.792 7.014 7.061 1.00 1.12 C ATOM 2216 CG2 ILE A 150 2.083 7.049 4.637 1.00 1.13 C ATOM 2217 CD1 ILE A 150 4.084 6.333 6.598 1.00 1.27 C ATOM 0 H ILE A 150 0.044 6.710 8.115 1.00 0.77 H new ATOM 0 HA ILE A 150 0.912 8.820 6.234 1.00 0.73 H new ATOM 0 HB ILE A 150 1.234 5.825 6.178 1.00 0.77 H new ATOM 0 HG12 ILE A 150 2.983 8.078 7.202 1.00 1.12 H new ATOM 0 HG13 ILE A 150 2.506 6.610 8.032 1.00 1.12 H new ATOM 0 HG21 ILE A 150 2.881 6.343 4.408 1.00 1.13 H new ATOM 0 HG22 ILE A 150 1.247 6.886 3.957 1.00 1.13 H new ATOM 0 HG23 ILE A 150 2.454 8.067 4.518 1.00 1.13 H new ATOM 0 HD11 ILE A 150 4.867 6.497 7.338 1.00 1.27 H new ATOM 0 HD12 ILE A 150 3.911 5.263 6.484 1.00 1.27 H new ATOM 0 HD13 ILE A 150 4.395 6.754 5.642 1.00 1.27 H new ATOM 2229 N GLY A 151 -1.147 8.677 4.798 1.00 0.75 N ATOM 2230 CA GLY A 151 -2.275 8.625 3.887 1.00 0.83 C ATOM 2231 C GLY A 151 -1.838 7.919 2.608 1.00 0.80 C ATOM 2232 O GLY A 151 -0.838 8.298 1.997 1.00 0.97 O ATOM 0 H GLY A 151 -0.679 9.583 4.814 1.00 0.75 H new ATOM 0 HA2 GLY A 151 -3.108 8.093 4.347 1.00 0.83 H new ATOM 0 HA3 GLY A 151 -2.626 9.632 3.662 1.00 0.83 H new ATOM 2236 N LEU A 152 -2.566 6.865 2.229 1.00 0.78 N ATOM 2237 CA LEU A 152 -2.230 6.010 1.106 1.00 1.03 C ATOM 2238 C LEU A 152 -3.208 6.346 -0.022 1.00 0.89 C ATOM 2239 O LEU A 152 -4.371 5.950 0.037 1.00 0.92 O ATOM 2240 CB LEU A 152 -2.330 4.554 1.584 1.00 1.35 C ATOM 2241 CG LEU A 152 -1.491 3.531 0.817 1.00 1.09 C ATOM 2242 CD1 LEU A 152 -1.761 3.570 -0.689 1.00 1.05 C ATOM 2243 CD2 LEU A 152 0.005 3.686 1.099 1.00 1.09 C ATOM 0 H LEU A 152 -3.421 6.583 2.709 1.00 0.78 H new ATOM 0 HA LEU A 152 -1.218 6.161 0.730 1.00 1.03 H new ATOM 0 HB2 LEU A 152 -2.039 4.518 2.634 1.00 1.35 H new ATOM 0 HB3 LEU A 152 -3.375 4.248 1.532 1.00 1.35 H new ATOM 0 HG LEU A 152 -1.802 2.553 1.184 1.00 1.09 H new ATOM 0 HD11 LEU A 152 -1.141 2.826 -1.189 1.00 1.05 H new ATOM 0 HD12 LEU A 152 -2.812 3.352 -0.876 1.00 1.05 H new ATOM 0 HD13 LEU A 152 -1.522 4.560 -1.076 1.00 1.05 H new ATOM 0 HD21 LEU A 152 0.561 2.939 0.533 1.00 1.09 H new ATOM 0 HD22 LEU A 152 0.330 4.683 0.801 1.00 1.09 H new ATOM 0 HD23 LEU A 152 0.191 3.547 2.164 1.00 1.09 H new ATOM 2255 N ALA A 153 -2.767 7.118 -1.017 1.00 0.84 N ATOM 2256 CA ALA A 153 -3.625 7.634 -2.074 1.00 0.77 C ATOM 2257 C ALA A 153 -2.937 7.442 -3.422 1.00 0.61 C ATOM 2258 O ALA A 153 -1.861 8.000 -3.644 1.00 0.71 O ATOM 2259 CB ALA A 153 -3.917 9.113 -1.815 1.00 1.07 C ATOM 0 H ALA A 153 -1.792 7.403 -1.108 1.00 0.84 H new ATOM 0 HA ALA A 153 -4.571 7.092 -2.087 1.00 0.77 H new ATOM 0 HB1 ALA A 153 -4.559 9.501 -2.606 1.00 1.07 H new ATOM 0 HB2 ALA A 153 -4.419 9.222 -0.854 1.00 1.07 H new ATOM 0 HB3 ALA A 153 -2.981 9.672 -1.801 1.00 1.07 H new ATOM 2265 N ALA A 154 -3.546 6.655 -4.313 1.00 0.81 N ATOM 2266 CA ALA A 154 -3.052 6.422 -5.662 1.00 0.70 C ATOM 2267 C ALA A 154 -4.067 6.839 -6.705 1.00 0.72 C ATOM 2268 O ALA A 154 -5.268 6.841 -6.442 1.00 0.89 O ATOM 2269 CB ALA A 154 -2.761 4.941 -5.859 1.00 0.87 C ATOM 0 H ALA A 154 -4.411 6.155 -4.108 1.00 0.81 H new ATOM 0 HA ALA A 154 -2.146 7.017 -5.782 1.00 0.70 H new ATOM 0 HB1 ALA A 154 -2.392 4.774 -6.871 1.00 0.87 H new ATOM 0 HB2 ALA A 154 -2.007 4.619 -5.140 1.00 0.87 H new ATOM 0 HB3 ALA A 154 -3.675 4.367 -5.707 1.00 0.87 H new ATOM 2275 N LYS A 155 -3.552 7.104 -7.905 1.00 0.73 N ATOM 2276 CA LYS A 155 -4.342 7.243 -9.109 1.00 0.82 C ATOM 2277 C LYS A 155 -3.611 6.428 -10.161 1.00 1.13 C ATOM 2278 O LYS A 155 -2.489 6.767 -10.539 1.00 1.38 O ATOM 2279 CB LYS A 155 -4.492 8.711 -9.514 1.00 1.13 C ATOM 2280 CG LYS A 155 -5.313 8.783 -10.809 1.00 2.00 C ATOM 2281 CD LYS A 155 -5.725 10.227 -11.101 1.00 2.13 C ATOM 2282 CE LYS A 155 -6.630 10.259 -12.343 1.00 3.57 C ATOM 2283 NZ LYS A 155 -7.135 11.617 -12.627 1.00 4.12 N ATOM 0 H LYS A 155 -2.552 7.229 -8.061 1.00 0.73 H new ATOM 0 HA LYS A 155 -5.362 6.885 -8.971 1.00 0.82 H new ATOM 0 HB2 LYS A 155 -4.986 9.273 -8.722 1.00 1.13 H new ATOM 0 HB3 LYS A 155 -3.512 9.164 -9.662 1.00 1.13 H new ATOM 0 HG2 LYS A 155 -4.728 8.390 -11.640 1.00 2.00 H new ATOM 0 HG3 LYS A 155 -6.200 8.156 -10.720 1.00 2.00 H new ATOM 0 HD2 LYS A 155 -6.251 10.647 -10.244 1.00 2.13 H new ATOM 0 HD3 LYS A 155 -4.841 10.843 -11.266 1.00 2.13 H new ATOM 0 HE2 LYS A 155 -6.074 9.892 -13.206 1.00 3.57 H new ATOM 0 HE3 LYS A 155 -7.472 9.583 -12.195 1.00 3.57 H new ATOM 0 HZ1 LYS A 155 -7.741 11.592 -13.472 1.00 4.12 H new ATOM 0 HZ2 LYS A 155 -7.688 11.959 -11.815 1.00 4.12 H new ATOM 0 HZ3 LYS A 155 -6.333 12.258 -12.794 1.00 4.12 H new ATOM 2297 N GLN A 156 -4.222 5.318 -10.550 1.00 1.55 N ATOM 2298 CA GLN A 156 -3.580 4.335 -11.382 1.00 2.20 C ATOM 2299 C GLN A 156 -3.572 4.760 -12.854 1.00 2.60 C ATOM 2300 O GLN A 156 -4.164 5.816 -13.172 1.00 2.67 O ATOM 2301 CB GLN A 156 -4.273 2.999 -11.150 1.00 2.76 C ATOM 2302 CG GLN A 156 -4.418 2.677 -9.654 1.00 3.29 C ATOM 2303 CD GLN A 156 -4.773 1.217 -9.412 1.00 3.76 C ATOM 2304 OE1 GLN A 156 -4.094 0.298 -9.861 1.00 4.85 O ATOM 2305 NE2 GLN A 156 -5.843 0.968 -8.668 1.00 3.60 N ATOM 0 H GLN A 156 -5.180 5.082 -10.292 1.00 1.55 H new ATOM 0 HA GLN A 156 -2.529 4.237 -11.112 1.00 2.20 H new ATOM 0 HB2 GLN A 156 -5.259 3.017 -11.614 1.00 2.76 H new ATOM 0 HB3 GLN A 156 -3.705 2.207 -11.638 1.00 2.76 H new ATOM 0 HG2 GLN A 156 -3.485 2.912 -9.141 1.00 3.29 H new ATOM 0 HG3 GLN A 156 -5.189 3.313 -9.220 1.00 3.29 H new ATOM 0 HE21 GLN A 156 -6.399 1.740 -8.300 1.00 3.60 H new ATOM 0 HE22 GLN A 156 -6.109 0.005 -8.464 1.00 3.60 H new TER 2314 GLN A 156