USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 730 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 27 LYS NZ :NH3+ 173:sc= 1.1 (180deg=0) USER MOD Set 1.2: A 94 HIS : no HE2:sc= -0.715 K(o=0.39,f=-7.6!) USER MOD Set 2.1: A 85 GLN :FLIP amide:sc= -3.02! C(o=-3.3!,f=-3.3!) USER MOD Set 2.2: A 86 GLN :FLIP amide:sc= -0.25 X(o=-3.3,f=-3.3) USER MOD Set 3.1: A 44 ASN : amide:sc= -2.07! C(o=-2.4!,f=-7.5!) USER MOD Set 3.2: A 48 LYS NZ :NH3+ 142:sc= -0.378 (180deg=0) USER MOD Set 4.1: A 43 GLN : amide:sc= -0.342 K(o=-1.2,f=-7.2!) USER MOD Set 4.2: A 47 LYS NZ :NH3+ -161:sc= -0.813 (180deg=-1.33) USER MOD Set 5.1: A 31 SER OG : rot -71:sc= 1.21 USER MOD Set 5.2: A 32 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 10 HIS : no HD1:sc= -0.0447 X(o=-0.045,f=-0.41) USER MOD Single : A 11 GLN : amide:sc= -0.829 K(o=-0.83,f=-2.4) USER MOD Single : A 16 MET CE :methyl -117:sc= 0 (180deg=-0.568) USER MOD Single : A 21 SER OG : rot -77:sc= 0.713 USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= 0.733 (180deg=0.153) USER MOD Single : A 26 LYS NZ :NH3+ 150:sc= 0.7 (180deg=0.261) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -1.88 F(o=-4!,f=-1.9) USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= 0.79 (180deg=-0.437) USER MOD Single : A 59 HIS : +bothHN:sc= -14.7! C(o=-15!,f=-21!) USER MOD Single : A 64 GLN : amide:sc= 0.554 K(o=0.55,f=0) USER MOD Single : A 69 THR OG1 : rot 79:sc= 0.783 USER MOD Single : A 71 LYS NZ :NH3+ -136:sc= 0.0579 (180deg=-2.77!) USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= -0.294 (180deg=-0.44) USER MOD Single : A 74 SER OG : rot 69:sc= 0.488 USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0528 F(o=-2.8!,f=-0.053) USER MOD Single : A 78 THR OG1 : rot 85:sc= 0.141 USER MOD Single : A 81 LYS NZ :NH3+ -174:sc= 0.773 (180deg=0.478) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= -0.825 (180deg=-1.24!) USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.117) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.0167 F(o=-0.93,f=-0.017) USER MOD Single : A 107 GLN : amide:sc= -0.0325 X(o=-0.033,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 23.153 -8.274 -14.625 1.00 1.70 N ATOM 2 CA HIS A 10 22.820 -9.616 -15.089 1.00 1.73 C ATOM 3 C HIS A 10 23.727 -10.635 -14.417 1.00 1.58 C ATOM 4 O HIS A 10 23.297 -11.734 -14.063 1.00 1.52 O ATOM 5 CB HIS A 10 22.959 -9.710 -16.611 1.00 2.04 C ATOM 6 CG HIS A 10 22.015 -8.816 -17.354 1.00 2.54 C ATOM 7 ND1 HIS A 10 22.093 -7.440 -17.346 1.00 3.19 N ATOM 8 CD2 HIS A 10 20.951 -9.126 -18.140 1.00 3.29 C ATOM 9 CE1 HIS A 10 21.096 -6.968 -18.108 1.00 4.01 C ATOM 10 NE2 HIS A 10 20.376 -7.950 -18.613 1.00 4.11 N ATOM 0 HA HIS A 10 21.784 -9.829 -14.824 1.00 1.73 H new ATOM 0 HB2 HIS A 10 23.982 -9.458 -16.891 1.00 2.04 H new ATOM 0 HB3 HIS A 10 22.789 -10.741 -16.920 1.00 2.04 H new ATOM 0 HD2 HIS A 10 20.606 -10.125 -18.362 1.00 3.29 H new ATOM 0 HE1 HIS A 10 20.907 -5.919 -18.285 1.00 4.01 H new ATOM 0 HE2 HIS A 10 19.564 -7.865 -19.225 1.00 4.11 H new ATOM 18 N GLN A 11 24.987 -10.254 -14.235 1.00 1.60 N ATOM 19 CA GLN A 11 25.957 -11.124 -13.590 1.00 1.56 C ATOM 20 C GLN A 11 25.501 -11.457 -12.175 1.00 1.29 C ATOM 21 O GLN A 11 25.594 -12.600 -11.741 1.00 1.26 O ATOM 22 CB GLN A 11 27.336 -10.459 -13.552 1.00 1.75 C ATOM 23 CG GLN A 11 28.291 -10.971 -14.619 1.00 2.28 C ATOM 24 CD GLN A 11 28.886 -12.323 -14.274 1.00 3.08 C ATOM 25 OE1 GLN A 11 28.536 -13.341 -14.873 1.00 3.64 O ATOM 26 NE2 GLN A 11 29.791 -12.340 -13.304 1.00 3.73 N ATOM 0 H GLN A 11 25.358 -9.349 -14.526 1.00 1.60 H new ATOM 0 HA GLN A 11 26.032 -12.046 -14.167 1.00 1.56 H new ATOM 0 HB2 GLN A 11 27.214 -9.383 -13.672 1.00 1.75 H new ATOM 0 HB3 GLN A 11 27.781 -10.621 -12.570 1.00 1.75 H new ATOM 0 HG2 GLN A 11 27.762 -11.044 -15.569 1.00 2.28 H new ATOM 0 HG3 GLN A 11 29.096 -10.249 -14.757 1.00 2.28 H new ATOM 0 HE21 GLN A 11 30.051 -11.473 -12.834 1.00 3.73 H new ATOM 0 HE22 GLN A 11 30.226 -13.220 -13.028 1.00 3.73 H new ATOM 35 N PHE A 12 25.002 -10.449 -11.460 1.00 1.14 N ATOM 36 CA PHE A 12 24.540 -10.640 -10.093 1.00 0.98 C ATOM 37 C PHE A 12 23.615 -11.843 -9.994 1.00 0.94 C ATOM 38 O PHE A 12 23.818 -12.714 -9.156 1.00 0.91 O ATOM 39 CB PHE A 12 23.822 -9.390 -9.571 1.00 0.98 C ATOM 40 CG PHE A 12 23.403 -9.515 -8.134 1.00 0.86 C ATOM 41 CD1 PHE A 12 24.344 -9.746 -7.143 1.00 0.83 C ATOM 42 CD2 PHE A 12 22.068 -9.417 -7.775 1.00 0.86 C ATOM 43 CE1 PHE A 12 23.963 -9.875 -5.825 1.00 0.77 C ATOM 44 CE2 PHE A 12 21.682 -9.548 -6.455 1.00 0.82 C ATOM 45 CZ PHE A 12 22.630 -9.777 -5.479 1.00 0.76 C ATOM 0 H PHE A 12 24.909 -9.495 -11.808 1.00 1.14 H new ATOM 0 HA PHE A 12 25.420 -10.820 -9.475 1.00 0.98 H new ATOM 0 HB2 PHE A 12 24.480 -8.527 -9.679 1.00 0.98 H new ATOM 0 HB3 PHE A 12 22.942 -9.199 -10.186 1.00 0.98 H new ATOM 0 HD1 PHE A 12 25.388 -9.826 -7.407 1.00 0.83 H new ATOM 0 HD2 PHE A 12 21.322 -9.236 -8.535 1.00 0.86 H new ATOM 0 HE1 PHE A 12 24.707 -10.053 -5.063 1.00 0.77 H new ATOM 0 HE2 PHE A 12 20.639 -9.471 -6.187 1.00 0.82 H new ATOM 0 HZ PHE A 12 22.330 -9.879 -4.447 1.00 0.76 H new ATOM 55 N PHE A 13 22.600 -11.897 -10.854 1.00 1.03 N ATOM 56 CA PHE A 13 21.666 -13.018 -10.829 1.00 1.16 C ATOM 57 C PHE A 13 22.434 -14.332 -10.798 1.00 1.12 C ATOM 58 O PHE A 13 22.186 -15.194 -9.952 1.00 1.08 O ATOM 59 CB PHE A 13 20.727 -12.977 -12.039 1.00 1.42 C ATOM 60 CG PHE A 13 19.644 -11.945 -11.912 1.00 1.67 C ATOM 61 CD1 PHE A 13 18.429 -12.264 -11.327 1.00 2.16 C ATOM 62 CD2 PHE A 13 19.836 -10.657 -12.392 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.425 -11.320 -11.224 1.00 2.70 C ATOM 64 CE2 PHE A 13 18.835 -9.710 -12.288 1.00 2.42 C ATOM 65 CZ PHE A 13 17.650 -10.025 -11.651 1.00 2.77 C ATOM 0 H PHE A 13 22.406 -11.191 -11.564 1.00 1.03 H new ATOM 0 HA PHE A 13 21.057 -12.940 -9.928 1.00 1.16 H new ATOM 0 HB2 PHE A 13 21.310 -12.773 -12.937 1.00 1.42 H new ATOM 0 HB3 PHE A 13 20.271 -13.958 -12.171 1.00 1.42 H new ATOM 0 HD1 PHE A 13 18.265 -13.262 -10.947 1.00 2.16 H new ATOM 0 HD2 PHE A 13 20.777 -10.392 -12.851 1.00 1.91 H new ATOM 0 HE1 PHE A 13 16.466 -11.594 -10.810 1.00 2.70 H new ATOM 0 HE2 PHE A 13 18.979 -8.724 -12.704 1.00 2.42 H new ATOM 0 HZ PHE A 13 16.903 -9.263 -11.487 1.00 2.77 H new ATOM 75 N ARG A 14 23.387 -14.470 -11.717 1.00 1.21 N ATOM 76 CA ARG A 14 24.209 -15.670 -11.783 1.00 1.30 C ATOM 77 C ARG A 14 24.984 -15.846 -10.482 1.00 1.14 C ATOM 78 O ARG A 14 24.982 -16.923 -9.896 1.00 1.12 O ATOM 79 CB ARG A 14 25.174 -15.606 -12.973 1.00 1.55 C ATOM 80 CG ARG A 14 25.483 -16.970 -13.580 1.00 1.71 C ATOM 81 CD ARG A 14 26.980 -17.230 -13.666 1.00 2.48 C ATOM 82 NE ARG A 14 27.624 -17.164 -12.354 1.00 2.80 N ATOM 83 CZ ARG A 14 28.279 -16.098 -11.899 1.00 3.53 C ATOM 84 NH1 ARG A 14 28.403 -15.013 -12.655 1.00 4.35 N ATOM 85 NH2 ARG A 14 28.816 -16.117 -10.687 1.00 3.79 N ATOM 0 H ARG A 14 23.607 -13.767 -12.423 1.00 1.21 H new ATOM 0 HA ARG A 14 23.553 -16.529 -11.923 1.00 1.30 H new ATOM 0 HB2 ARG A 14 24.747 -14.963 -13.743 1.00 1.55 H new ATOM 0 HB3 ARG A 14 26.106 -15.141 -12.650 1.00 1.55 H new ATOM 0 HG2 ARG A 14 25.014 -17.749 -12.979 1.00 1.71 H new ATOM 0 HG3 ARG A 14 25.047 -17.030 -14.577 1.00 1.71 H new ATOM 0 HD2 ARG A 14 27.153 -18.212 -14.106 1.00 2.48 H new ATOM 0 HD3 ARG A 14 27.437 -16.498 -14.332 1.00 2.48 H new ATOM 0 HE ARG A 14 27.568 -17.985 -11.751 1.00 2.80 H new ATOM 0 HH11 ARG A 14 27.995 -14.993 -13.590 1.00 4.35 H new ATOM 0 HH12 ARG A 14 28.906 -14.199 -12.301 1.00 4.35 H new ATOM 0 HH21 ARG A 14 28.727 -16.948 -10.103 1.00 3.79 H new ATOM 0 HH22 ARG A 14 29.318 -15.300 -10.339 1.00 3.79 H new ATOM 99 N ASP A 15 25.638 -14.777 -10.032 1.00 1.12 N ATOM 100 CA ASP A 15 26.408 -14.816 -8.790 1.00 1.14 C ATOM 101 C ASP A 15 25.548 -15.346 -7.648 1.00 1.00 C ATOM 102 O ASP A 15 26.001 -16.152 -6.840 1.00 1.05 O ATOM 103 CB ASP A 15 26.944 -13.421 -8.429 1.00 1.29 C ATOM 104 CG ASP A 15 27.634 -12.715 -9.588 1.00 1.49 C ATOM 105 OD1 ASP A 15 28.033 -13.397 -10.554 1.00 2.10 O ATOM 106 OD2 ASP A 15 27.785 -11.477 -9.521 1.00 1.84 O ATOM 0 H ASP A 15 25.650 -13.875 -10.508 1.00 1.12 H new ATOM 0 HA ASP A 15 27.255 -15.485 -8.943 1.00 1.14 H new ATOM 0 HB2 ASP A 15 26.118 -12.803 -8.078 1.00 1.29 H new ATOM 0 HB3 ASP A 15 27.647 -13.514 -7.601 1.00 1.29 H new ATOM 111 N MET A 16 24.301 -14.882 -7.585 1.00 0.93 N ATOM 112 CA MET A 16 23.377 -15.308 -6.542 1.00 0.98 C ATOM 113 C MET A 16 23.176 -16.818 -6.604 1.00 0.88 C ATOM 114 O MET A 16 23.447 -17.534 -5.641 1.00 0.88 O ATOM 115 CB MET A 16 22.031 -14.588 -6.695 1.00 1.15 C ATOM 116 CG MET A 16 21.361 -14.256 -5.372 1.00 1.45 C ATOM 117 SD MET A 16 22.254 -12.997 -4.439 1.00 1.92 S ATOM 118 CE MET A 16 21.374 -13.037 -2.879 1.00 2.23 C ATOM 0 H MET A 16 23.910 -14.211 -8.246 1.00 0.93 H new ATOM 0 HA MET A 16 23.802 -15.049 -5.572 1.00 0.98 H new ATOM 0 HB2 MET A 16 22.184 -13.666 -7.256 1.00 1.15 H new ATOM 0 HB3 MET A 16 21.360 -15.212 -7.285 1.00 1.15 H new ATOM 0 HG2 MET A 16 20.344 -13.911 -5.560 1.00 1.45 H new ATOM 0 HG3 MET A 16 21.284 -15.162 -4.771 1.00 1.45 H new ATOM 0 HE1 MET A 16 20.898 -12.072 -2.705 1.00 2.23 H new ATOM 0 HE2 MET A 16 20.613 -13.817 -2.910 1.00 2.23 H new ATOM 0 HE3 MET A 16 22.075 -13.246 -2.071 1.00 2.23 H new ATOM 128 N ASP A 17 22.711 -17.305 -7.748 1.00 0.91 N ATOM 129 CA ASP A 17 22.498 -18.736 -7.918 1.00 0.97 C ATOM 130 C ASP A 17 23.771 -19.491 -7.563 1.00 0.88 C ATOM 131 O ASP A 17 23.733 -20.494 -6.855 1.00 0.86 O ATOM 132 CB ASP A 17 22.077 -19.057 -9.356 1.00 1.19 C ATOM 133 CG ASP A 17 21.072 -18.061 -9.909 1.00 1.80 C ATOM 134 OD1 ASP A 17 20.107 -17.726 -9.188 1.00 2.44 O ATOM 135 OD2 ASP A 17 21.249 -17.618 -11.063 1.00 2.46 O ATOM 0 H ASP A 17 22.477 -16.738 -8.563 1.00 0.91 H new ATOM 0 HA ASP A 17 21.695 -19.050 -7.251 1.00 0.97 H new ATOM 0 HB2 ASP A 17 22.960 -19.068 -9.995 1.00 1.19 H new ATOM 0 HB3 ASP A 17 21.646 -20.058 -9.389 1.00 1.19 H new ATOM 140 N ASP A 18 24.903 -18.986 -8.048 1.00 0.95 N ATOM 141 CA ASP A 18 26.197 -19.595 -7.780 1.00 1.09 C ATOM 142 C ASP A 18 26.419 -19.749 -6.281 1.00 1.01 C ATOM 143 O ASP A 18 26.770 -20.829 -5.811 1.00 1.05 O ATOM 144 CB ASP A 18 27.317 -18.752 -8.397 1.00 1.33 C ATOM 145 CG ASP A 18 27.537 -19.055 -9.868 1.00 1.90 C ATOM 146 OD1 ASP A 18 26.552 -19.373 -10.568 1.00 2.49 O ATOM 147 OD2 ASP A 18 28.696 -18.968 -10.323 1.00 2.48 O ATOM 0 H ASP A 18 24.946 -18.151 -8.632 1.00 0.95 H new ATOM 0 HA ASP A 18 26.211 -20.586 -8.233 1.00 1.09 H new ATOM 0 HB2 ASP A 18 27.077 -17.695 -8.280 1.00 1.33 H new ATOM 0 HB3 ASP A 18 28.243 -18.931 -7.851 1.00 1.33 H new ATOM 152 N GLU A 19 26.206 -18.670 -5.529 1.00 1.02 N ATOM 153 CA GLU A 19 26.384 -18.720 -4.084 1.00 1.12 C ATOM 154 C GLU A 19 25.401 -19.718 -3.475 1.00 0.89 C ATOM 155 O GLU A 19 25.805 -20.656 -2.781 1.00 0.88 O ATOM 156 CB GLU A 19 26.258 -17.317 -3.454 1.00 1.38 C ATOM 157 CG GLU A 19 24.841 -16.768 -3.337 1.00 2.04 C ATOM 158 CD GLU A 19 24.728 -15.625 -2.340 1.00 2.53 C ATOM 159 OE1 GLU A 19 25.771 -15.037 -1.981 1.00 3.07 O ATOM 160 OE2 GLU A 19 23.593 -15.309 -1.927 1.00 3.02 O ATOM 0 H GLU A 19 25.914 -17.763 -5.893 1.00 1.02 H new ATOM 0 HA GLU A 19 27.394 -19.066 -3.864 1.00 1.12 H new ATOM 0 HB2 GLU A 19 26.700 -17.345 -2.458 1.00 1.38 H new ATOM 0 HB3 GLU A 19 26.850 -16.619 -4.046 1.00 1.38 H new ATOM 0 HG2 GLU A 19 24.509 -16.423 -4.316 1.00 2.04 H new ATOM 0 HG3 GLU A 19 24.169 -17.572 -3.037 1.00 2.04 H new ATOM 167 N GLU A 20 24.110 -19.543 -3.760 1.00 0.84 N ATOM 168 CA GLU A 20 23.099 -20.464 -3.255 1.00 0.84 C ATOM 169 C GLU A 20 23.540 -21.899 -3.521 1.00 0.73 C ATOM 170 O GLU A 20 23.387 -22.778 -2.672 1.00 0.78 O ATOM 171 CB GLU A 20 21.740 -20.191 -3.910 1.00 1.03 C ATOM 172 CG GLU A 20 20.573 -20.200 -2.933 1.00 1.61 C ATOM 173 CD GLU A 20 20.409 -21.533 -2.225 1.00 1.98 C ATOM 174 OE1 GLU A 20 19.746 -22.427 -2.792 1.00 2.49 O ATOM 175 OE2 GLU A 20 20.944 -21.683 -1.107 1.00 2.50 O ATOM 0 H GLU A 20 23.746 -18.781 -4.331 1.00 0.84 H new ATOM 0 HA GLU A 20 22.990 -20.315 -2.181 1.00 0.84 H new ATOM 0 HB2 GLU A 20 21.776 -19.223 -4.409 1.00 1.03 H new ATOM 0 HB3 GLU A 20 21.562 -20.941 -4.681 1.00 1.03 H new ATOM 0 HG2 GLU A 20 20.720 -19.415 -2.191 1.00 1.61 H new ATOM 0 HG3 GLU A 20 19.654 -19.963 -3.469 1.00 1.61 H new ATOM 182 N SER A 21 24.112 -22.124 -4.704 1.00 0.75 N ATOM 183 CA SER A 21 24.602 -23.441 -5.074 1.00 0.89 C ATOM 184 C SER A 21 25.738 -23.851 -4.144 1.00 0.84 C ATOM 185 O SER A 21 25.760 -24.974 -3.643 1.00 0.91 O ATOM 186 CB SER A 21 25.075 -23.454 -6.531 1.00 1.14 C ATOM 187 OG SER A 21 24.675 -24.645 -7.184 1.00 1.59 O ATOM 0 H SER A 21 24.245 -21.408 -5.418 1.00 0.75 H new ATOM 0 HA SER A 21 23.786 -24.157 -4.976 1.00 0.89 H new ATOM 0 HB2 SER A 21 24.666 -22.592 -7.057 1.00 1.14 H new ATOM 0 HB3 SER A 21 26.161 -23.363 -6.565 1.00 1.14 H new ATOM 0 HG SER A 21 25.258 -25.382 -6.906 1.00 1.59 H new ATOM 193 N TRP A 22 26.672 -22.925 -3.892 1.00 0.91 N ATOM 194 CA TRP A 22 27.799 -23.204 -3.004 1.00 1.05 C ATOM 195 C TRP A 22 27.306 -23.827 -1.702 1.00 0.87 C ATOM 196 O TRP A 22 27.884 -24.794 -1.216 1.00 0.92 O ATOM 197 CB TRP A 22 28.619 -21.940 -2.694 1.00 1.38 C ATOM 198 CG TRP A 22 29.570 -22.148 -1.552 1.00 1.53 C ATOM 199 CD1 TRP A 22 30.900 -22.464 -1.623 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.252 -22.087 -0.157 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.411 -22.612 -0.352 1.00 2.16 N ATOM 202 CE2 TRP A 22 30.422 -22.387 0.549 1.00 1.65 C ATOM 203 CE3 TRP A 22 28.093 -21.810 0.566 1.00 1.73 C ATOM 204 CZ2 TRP A 22 30.469 -22.427 1.923 1.00 1.79 C ATOM 205 CZ3 TRP A 22 28.142 -21.846 1.942 1.00 2.24 C ATOM 206 CH2 TRP A 22 29.324 -22.157 2.608 1.00 2.11 C ATOM 0 H TRP A 22 26.667 -21.985 -4.288 1.00 0.91 H new ATOM 0 HA TRP A 22 28.451 -23.906 -3.524 1.00 1.05 H new ATOM 0 HB2 TRP A 22 29.179 -21.645 -3.582 1.00 1.38 H new ATOM 0 HB3 TRP A 22 27.942 -21.119 -2.456 1.00 1.38 H new ATOM 0 HD1 TRP A 22 31.464 -22.580 -2.537 1.00 2.19 H new ATOM 0 HE1 TRP A 22 32.376 -22.852 -0.125 1.00 2.16 H new ATOM 0 HE3 TRP A 22 27.172 -21.571 0.056 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 31.386 -22.665 2.442 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 27.251 -21.630 2.512 1.00 2.24 H new ATOM 0 HH2 TRP A 22 29.333 -22.185 3.688 1.00 2.11 H new ATOM 217 N ILE A 23 26.244 -23.261 -1.131 1.00 0.80 N ATOM 218 CA ILE A 23 25.693 -23.787 0.115 1.00 0.90 C ATOM 219 C ILE A 23 25.426 -25.283 -0.014 1.00 0.87 C ATOM 220 O ILE A 23 26.002 -26.097 0.713 1.00 0.95 O ATOM 221 CB ILE A 23 24.381 -23.078 0.516 1.00 1.16 C ATOM 222 CG1 ILE A 23 24.588 -21.562 0.629 1.00 1.34 C ATOM 223 CG2 ILE A 23 23.858 -23.647 1.830 1.00 1.46 C ATOM 224 CD1 ILE A 23 23.302 -20.790 0.825 1.00 1.92 C ATOM 0 H ILE A 23 25.754 -22.449 -1.506 1.00 0.80 H new ATOM 0 HA ILE A 23 26.435 -23.602 0.892 1.00 0.90 H new ATOM 0 HB ILE A 23 23.641 -23.258 -0.264 1.00 1.16 H new ATOM 0 HG12 ILE A 23 25.257 -21.356 1.465 1.00 1.34 H new ATOM 0 HG13 ILE A 23 25.084 -21.203 -0.273 1.00 1.34 H new ATOM 0 HG21 ILE A 23 22.933 -23.140 2.103 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.667 -24.714 1.714 1.00 1.46 H new ATOM 0 HG23 ILE A 23 24.600 -23.495 2.614 1.00 1.46 H new ATOM 0 HD11 ILE A 23 23.524 -19.725 0.897 1.00 1.92 H new ATOM 0 HD12 ILE A 23 22.639 -20.966 -0.022 1.00 1.92 H new ATOM 0 HD13 ILE A 23 22.815 -21.122 1.742 1.00 1.92 H new ATOM 236 N LYS A 24 24.558 -25.637 -0.957 1.00 0.92 N ATOM 237 CA LYS A 24 24.215 -27.034 -1.198 1.00 1.18 C ATOM 238 C LYS A 24 25.471 -27.868 -1.435 1.00 1.21 C ATOM 239 O LYS A 24 25.563 -29.010 -0.988 1.00 1.38 O ATOM 240 CB LYS A 24 23.272 -27.147 -2.399 1.00 1.40 C ATOM 241 CG LYS A 24 21.951 -26.416 -2.203 1.00 2.00 C ATOM 242 CD LYS A 24 21.049 -26.541 -3.424 1.00 2.68 C ATOM 243 CE LYS A 24 21.486 -25.613 -4.548 1.00 3.24 C ATOM 244 NZ LYS A 24 21.428 -24.183 -4.139 1.00 3.58 N ATOM 0 H LYS A 24 24.079 -24.975 -1.567 1.00 0.92 H new ATOM 0 HA LYS A 24 23.709 -27.420 -0.313 1.00 1.18 H new ATOM 0 HB2 LYS A 24 23.771 -26.748 -3.282 1.00 1.40 H new ATOM 0 HB3 LYS A 24 23.070 -28.200 -2.595 1.00 1.40 H new ATOM 0 HG2 LYS A 24 21.438 -26.819 -1.330 1.00 2.00 H new ATOM 0 HG3 LYS A 24 22.145 -25.363 -2.001 1.00 2.00 H new ATOM 0 HD2 LYS A 24 21.059 -27.571 -3.779 1.00 2.68 H new ATOM 0 HD3 LYS A 24 20.022 -26.311 -3.142 1.00 2.68 H new ATOM 0 HE2 LYS A 24 22.503 -25.863 -4.851 1.00 3.24 H new ATOM 0 HE3 LYS A 24 20.847 -25.769 -5.417 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 21.465 -23.578 -4.984 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 20.542 -24.005 -3.625 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 22.236 -23.965 -3.522 1.00 3.58 H new ATOM 258 N GLU A 25 26.439 -27.283 -2.135 1.00 1.18 N ATOM 259 CA GLU A 25 27.692 -27.958 -2.427 1.00 1.40 C ATOM 260 C GLU A 25 28.419 -28.319 -1.136 1.00 1.37 C ATOM 261 O GLU A 25 28.812 -29.468 -0.936 1.00 1.59 O ATOM 262 CB GLU A 25 28.570 -27.059 -3.296 1.00 1.58 C ATOM 263 CG GLU A 25 28.459 -27.339 -4.787 1.00 2.34 C ATOM 264 CD GLU A 25 27.856 -26.177 -5.553 1.00 2.86 C ATOM 265 OE1 GLU A 25 28.532 -25.132 -5.679 1.00 3.45 O ATOM 266 OE2 GLU A 25 26.709 -26.307 -6.028 1.00 3.26 O ATOM 0 H GLU A 25 26.375 -26.337 -2.511 1.00 1.18 H new ATOM 0 HA GLU A 25 27.479 -28.880 -2.968 1.00 1.40 H new ATOM 0 HB2 GLU A 25 28.302 -26.019 -3.111 1.00 1.58 H new ATOM 0 HB3 GLU A 25 29.609 -27.179 -2.991 1.00 1.58 H new ATOM 0 HG2 GLU A 25 29.449 -27.559 -5.187 1.00 2.34 H new ATOM 0 HG3 GLU A 25 27.848 -28.228 -4.942 1.00 2.34 H new ATOM 273 N LYS A 26 28.582 -27.335 -0.254 1.00 1.19 N ATOM 274 CA LYS A 26 29.249 -27.564 1.019 1.00 1.29 C ATOM 275 C LYS A 26 28.494 -28.629 1.807 1.00 1.31 C ATOM 276 O LYS A 26 29.087 -29.590 2.294 1.00 1.49 O ATOM 277 CB LYS A 26 29.354 -26.260 1.816 1.00 1.34 C ATOM 278 CG LYS A 26 29.690 -26.456 3.289 1.00 1.63 C ATOM 279 CD LYS A 26 31.092 -27.020 3.476 1.00 2.01 C ATOM 280 CE LYS A 26 31.297 -27.571 4.880 1.00 2.27 C ATOM 281 NZ LYS A 26 32.431 -28.534 4.939 1.00 2.77 N ATOM 0 H LYS A 26 28.262 -26.377 -0.399 1.00 1.19 H new ATOM 0 HA LYS A 26 30.263 -27.919 0.833 1.00 1.29 H new ATOM 0 HB2 LYS A 26 30.118 -25.629 1.361 1.00 1.34 H new ATOM 0 HB3 LYS A 26 28.409 -25.722 1.738 1.00 1.34 H new ATOM 0 HG2 LYS A 26 29.609 -25.503 3.811 1.00 1.63 H new ATOM 0 HG3 LYS A 26 28.963 -27.130 3.742 1.00 1.63 H new ATOM 0 HD2 LYS A 26 31.266 -27.811 2.746 1.00 2.01 H new ATOM 0 HD3 LYS A 26 31.827 -26.239 3.281 1.00 2.01 H new ATOM 0 HE2 LYS A 26 31.484 -26.748 5.569 1.00 2.27 H new ATOM 0 HE3 LYS A 26 30.384 -28.065 5.213 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 32.866 -28.501 5.883 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 32.080 -29.495 4.753 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 33.140 -28.280 4.222 1.00 2.77 H new ATOM 295 N LYS A 27 27.175 -28.465 1.903 1.00 1.25 N ATOM 296 CA LYS A 27 26.338 -29.429 2.607 1.00 1.48 C ATOM 297 C LYS A 27 26.652 -30.845 2.132 1.00 1.65 C ATOM 298 O LYS A 27 26.849 -31.755 2.938 1.00 1.84 O ATOM 299 CB LYS A 27 24.855 -29.123 2.377 1.00 1.61 C ATOM 300 CG LYS A 27 24.339 -27.944 3.187 1.00 2.10 C ATOM 301 CD LYS A 27 22.826 -27.825 3.103 1.00 2.50 C ATOM 302 CE LYS A 27 22.219 -27.442 4.442 1.00 3.05 C ATOM 303 NZ LYS A 27 20.751 -27.224 4.343 1.00 3.62 N ATOM 0 H LYS A 27 26.667 -27.676 1.503 1.00 1.25 H new ATOM 0 HA LYS A 27 26.551 -29.354 3.673 1.00 1.48 H new ATOM 0 HB2 LYS A 27 24.695 -28.922 1.318 1.00 1.61 H new ATOM 0 HB3 LYS A 27 24.268 -30.007 2.626 1.00 1.61 H new ATOM 0 HG2 LYS A 27 24.638 -28.059 4.229 1.00 2.10 H new ATOM 0 HG3 LYS A 27 24.797 -27.024 2.824 1.00 2.10 H new ATOM 0 HD2 LYS A 27 22.560 -27.077 2.356 1.00 2.50 H new ATOM 0 HD3 LYS A 27 22.404 -28.773 2.770 1.00 2.50 H new ATOM 0 HE2 LYS A 27 22.421 -28.227 5.170 1.00 3.05 H new ATOM 0 HE3 LYS A 27 22.697 -26.534 4.811 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 20.356 -27.081 5.295 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 20.563 -26.383 3.761 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 20.305 -28.055 3.904 1.00 3.62 H new ATOM 317 N LEU A 28 26.711 -31.019 0.812 1.00 1.65 N ATOM 318 CA LEU A 28 27.015 -32.319 0.226 1.00 1.92 C ATOM 319 C LEU A 28 28.405 -32.776 0.654 1.00 1.96 C ATOM 320 O LEU A 28 28.634 -33.959 0.903 1.00 2.16 O ATOM 321 CB LEU A 28 26.931 -32.251 -1.304 1.00 2.05 C ATOM 322 CG LEU A 28 26.221 -33.434 -1.978 1.00 2.51 C ATOM 323 CD1 LEU A 28 26.936 -34.743 -1.665 1.00 2.78 C ATOM 324 CD2 LEU A 28 24.761 -33.502 -1.548 1.00 3.19 C ATOM 0 H LEU A 28 26.552 -30.276 0.131 1.00 1.65 H new ATOM 0 HA LEU A 28 26.280 -33.040 0.583 1.00 1.92 H new ATOM 0 HB2 LEU A 28 26.414 -31.333 -1.582 1.00 2.05 H new ATOM 0 HB3 LEU A 28 27.943 -32.181 -1.704 1.00 2.05 H new ATOM 0 HG LEU A 28 26.252 -33.279 -3.056 1.00 2.51 H new ATOM 0 HD11 LEU A 28 26.416 -35.567 -2.153 1.00 2.78 H new ATOM 0 HD12 LEU A 28 27.962 -34.694 -2.031 1.00 2.78 H new ATOM 0 HD13 LEU A 28 26.943 -34.905 -0.587 1.00 2.78 H new ATOM 0 HD21 LEU A 28 24.277 -34.347 -2.037 1.00 3.19 H new ATOM 0 HD22 LEU A 28 24.706 -33.628 -0.467 1.00 3.19 H new ATOM 0 HD23 LEU A 28 24.255 -32.579 -1.832 1.00 3.19 H new ATOM 336 N LEU A 29 29.330 -31.825 0.739 1.00 1.84 N ATOM 337 CA LEU A 29 30.699 -32.122 1.142 1.00 2.00 C ATOM 338 C LEU A 29 30.720 -32.799 2.509 1.00 2.03 C ATOM 339 O LEU A 29 31.423 -33.787 2.712 1.00 2.24 O ATOM 340 CB LEU A 29 31.541 -30.840 1.173 1.00 2.00 C ATOM 341 CG LEU A 29 32.918 -30.943 0.504 1.00 2.43 C ATOM 342 CD1 LEU A 29 33.664 -32.179 0.989 1.00 3.02 C ATOM 343 CD2 LEU A 29 32.779 -30.960 -1.012 1.00 3.08 C ATOM 0 H LEU A 29 29.155 -30.841 0.534 1.00 1.84 H new ATOM 0 HA LEU A 29 31.130 -32.804 0.409 1.00 2.00 H new ATOM 0 HB2 LEU A 29 30.978 -30.043 0.687 1.00 2.00 H new ATOM 0 HB3 LEU A 29 31.682 -30.542 2.212 1.00 2.00 H new ATOM 0 HG LEU A 29 33.498 -30.064 0.785 1.00 2.43 H new ATOM 0 HD11 LEU A 29 34.637 -32.231 0.501 1.00 3.02 H new ATOM 0 HD12 LEU A 29 33.802 -32.121 2.069 1.00 3.02 H new ATOM 0 HD13 LEU A 29 33.087 -33.071 0.745 1.00 3.02 H new ATOM 0 HD21 LEU A 29 33.767 -31.033 -1.467 1.00 3.08 H new ATOM 0 HD22 LEU A 29 32.176 -31.817 -1.313 1.00 3.08 H new ATOM 0 HD23 LEU A 29 32.294 -30.042 -1.343 1.00 3.08 H new ATOM 355 N VAL A 30 29.938 -32.263 3.443 1.00 1.90 N ATOM 356 CA VAL A 30 29.863 -32.821 4.791 1.00 2.05 C ATOM 357 C VAL A 30 29.519 -34.307 4.741 1.00 2.27 C ATOM 358 O VAL A 30 30.181 -35.128 5.375 1.00 2.48 O ATOM 359 CB VAL A 30 28.818 -32.086 5.657 1.00 2.03 C ATOM 360 CG1 VAL A 30 28.916 -32.533 7.110 1.00 2.35 C ATOM 361 CG2 VAL A 30 28.995 -30.578 5.543 1.00 2.26 C ATOM 0 H VAL A 30 29.348 -31.445 3.292 1.00 1.90 H new ATOM 0 HA VAL A 30 30.845 -32.688 5.246 1.00 2.05 H new ATOM 0 HB VAL A 30 27.824 -32.342 5.289 1.00 2.03 H new ATOM 0 HG11 VAL A 30 28.171 -32.004 7.705 1.00 2.35 H new ATOM 0 HG12 VAL A 30 28.735 -33.606 7.174 1.00 2.35 H new ATOM 0 HG13 VAL A 30 29.912 -32.310 7.493 1.00 2.35 H new ATOM 0 HG21 VAL A 30 28.250 -30.076 6.160 1.00 2.26 H new ATOM 0 HG22 VAL A 30 29.993 -30.302 5.883 1.00 2.26 H new ATOM 0 HG23 VAL A 30 28.869 -30.274 4.504 1.00 2.26 H new ATOM 371 N SER A 31 28.485 -34.644 3.972 1.00 2.30 N ATOM 372 CA SER A 31 28.058 -36.034 3.827 1.00 2.61 C ATOM 373 C SER A 31 29.241 -36.924 3.459 1.00 2.74 C ATOM 374 O SER A 31 29.313 -38.085 3.864 1.00 3.01 O ATOM 375 CB SER A 31 26.972 -36.148 2.752 1.00 2.70 C ATOM 376 OG SER A 31 27.539 -36.410 1.477 1.00 2.71 O ATOM 0 H SER A 31 27.928 -33.975 3.441 1.00 2.30 H new ATOM 0 HA SER A 31 27.651 -36.366 4.782 1.00 2.61 H new ATOM 0 HB2 SER A 31 26.278 -36.946 3.015 1.00 2.70 H new ATOM 0 HB3 SER A 31 26.396 -35.224 2.714 1.00 2.70 H new ATOM 0 HG SER A 31 28.002 -35.609 1.154 1.00 2.71 H new ATOM 382 N SER A 32 30.158 -36.365 2.678 1.00 2.63 N ATOM 383 CA SER A 32 31.341 -37.088 2.232 1.00 2.85 C ATOM 384 C SER A 32 32.412 -37.109 3.320 1.00 2.93 C ATOM 385 O SER A 32 33.076 -38.125 3.531 1.00 3.19 O ATOM 386 CB SER A 32 31.889 -36.446 0.955 1.00 2.84 C ATOM 387 OG SER A 32 30.858 -35.776 0.243 1.00 3.16 O ATOM 0 H SER A 32 30.103 -35.405 2.339 1.00 2.63 H new ATOM 0 HA SER A 32 31.058 -38.119 2.021 1.00 2.85 H new ATOM 0 HB2 SER A 32 32.680 -35.740 1.208 1.00 2.84 H new ATOM 0 HB3 SER A 32 32.336 -37.212 0.321 1.00 2.84 H new ATOM 0 HG SER A 32 31.230 -35.372 -0.568 1.00 3.16 H new ATOM 393 N GLU A 33 32.578 -35.979 4.004 1.00 2.79 N ATOM 394 CA GLU A 33 33.564 -35.865 5.075 1.00 2.95 C ATOM 395 C GLU A 33 33.321 -36.930 6.139 1.00 3.13 C ATOM 396 O GLU A 33 34.263 -37.533 6.656 1.00 3.53 O ATOM 397 CB GLU A 33 33.510 -34.468 5.703 1.00 3.57 C ATOM 398 CG GLU A 33 33.967 -33.359 4.766 1.00 3.89 C ATOM 399 CD GLU A 33 34.847 -33.867 3.637 1.00 3.97 C ATOM 400 OE1 GLU A 33 34.407 -34.775 2.902 1.00 4.15 O ATOM 401 OE2 GLU A 33 35.976 -33.353 3.483 1.00 4.37 O ATOM 0 H GLU A 33 32.041 -35.128 3.835 1.00 2.79 H new ATOM 0 HA GLU A 33 34.555 -36.019 4.649 1.00 2.95 H new ATOM 0 HB2 GLU A 33 32.489 -34.263 6.024 1.00 3.57 H new ATOM 0 HB3 GLU A 33 34.134 -34.457 6.597 1.00 3.57 H new ATOM 0 HG2 GLU A 33 33.093 -32.863 4.344 1.00 3.89 H new ATOM 0 HG3 GLU A 33 34.514 -32.609 5.338 1.00 3.89 H new ATOM 540 N GLN A 43 44.488 -38.046 13.301 1.00 3.28 N ATOM 541 CA GLN A 43 45.289 -37.431 12.247 1.00 3.01 C ATOM 542 C GLN A 43 44.409 -36.997 11.082 1.00 2.82 C ATOM 543 O GLN A 43 44.633 -35.949 10.472 1.00 2.61 O ATOM 544 CB GLN A 43 46.364 -38.404 11.756 1.00 3.07 C ATOM 545 CG GLN A 43 47.607 -37.720 11.205 1.00 3.47 C ATOM 546 CD GLN A 43 48.276 -38.525 10.109 1.00 3.77 C ATOM 547 OE1 GLN A 43 48.266 -38.135 8.942 1.00 4.06 O ATOM 548 NE2 GLN A 43 48.860 -39.659 10.479 1.00 4.24 N ATOM 0 HA GLN A 43 45.774 -36.548 12.663 1.00 3.01 H new ATOM 0 HB2 GLN A 43 46.655 -39.056 12.580 1.00 3.07 H new ATOM 0 HB3 GLN A 43 45.938 -39.041 10.981 1.00 3.07 H new ATOM 0 HG2 GLN A 43 47.335 -36.739 10.816 1.00 3.47 H new ATOM 0 HG3 GLN A 43 48.317 -37.556 12.016 1.00 3.47 H new ATOM 0 HE21 GLN A 43 48.845 -39.945 11.458 1.00 4.24 H new ATOM 0 HE22 GLN A 43 49.324 -40.244 9.784 1.00 4.24 H new ATOM 557 N ASN A 44 43.401 -37.808 10.781 1.00 2.97 N ATOM 558 CA ASN A 44 42.477 -37.513 9.694 1.00 2.93 C ATOM 559 C ASN A 44 41.651 -36.271 10.021 1.00 2.82 C ATOM 560 O ASN A 44 41.232 -35.540 9.124 1.00 2.66 O ATOM 561 CB ASN A 44 41.570 -38.723 9.426 1.00 3.26 C ATOM 562 CG ASN A 44 40.126 -38.341 9.160 1.00 3.37 C ATOM 563 OD1 ASN A 44 39.666 -38.362 8.019 1.00 3.42 O ATOM 564 ND2 ASN A 44 39.405 -37.990 10.214 1.00 3.83 N ATOM 0 H ASN A 44 43.203 -38.677 11.277 1.00 2.97 H new ATOM 0 HA ASN A 44 43.050 -37.309 8.789 1.00 2.93 H new ATOM 0 HB2 ASN A 44 41.956 -39.276 8.570 1.00 3.26 H new ATOM 0 HB3 ASN A 44 41.609 -39.395 10.283 1.00 3.26 H new ATOM 0 HD21 ASN A 44 38.428 -37.723 10.097 1.00 3.83 H new ATOM 0 HD22 ASN A 44 39.827 -37.987 11.143 1.00 3.83 H new ATOM 571 N LEU A 45 41.436 -36.033 11.312 1.00 3.00 N ATOM 572 CA LEU A 45 40.678 -34.875 11.762 1.00 3.01 C ATOM 573 C LEU A 45 41.437 -33.603 11.423 1.00 2.73 C ATOM 574 O LEU A 45 40.925 -32.733 10.724 1.00 2.57 O ATOM 575 CB LEU A 45 40.416 -34.950 13.271 1.00 3.36 C ATOM 576 CG LEU A 45 39.070 -34.374 13.724 1.00 3.84 C ATOM 577 CD1 LEU A 45 38.632 -35.000 15.041 1.00 4.27 C ATOM 578 CD2 LEU A 45 39.150 -32.859 13.852 1.00 4.23 C ATOM 0 H LEU A 45 41.778 -36.630 12.065 1.00 3.00 H new ATOM 0 HA LEU A 45 39.716 -34.867 11.250 1.00 3.01 H new ATOM 0 HB2 LEU A 45 40.471 -35.993 13.583 1.00 3.36 H new ATOM 0 HB3 LEU A 45 41.214 -34.420 13.790 1.00 3.36 H new ATOM 0 HG LEU A 45 38.324 -34.615 12.966 1.00 3.84 H new ATOM 0 HD11 LEU A 45 37.674 -34.577 15.344 1.00 4.27 H new ATOM 0 HD12 LEU A 45 38.529 -36.078 14.915 1.00 4.27 H new ATOM 0 HD13 LEU A 45 39.379 -34.794 15.808 1.00 4.27 H new ATOM 0 HD21 LEU A 45 38.184 -32.470 14.175 1.00 4.23 H new ATOM 0 HD22 LEU A 45 39.911 -32.596 14.586 1.00 4.23 H new ATOM 0 HD23 LEU A 45 39.412 -32.426 12.887 1.00 4.23 H new ATOM 590 N ARG A 46 42.675 -33.511 11.908 1.00 2.73 N ATOM 591 CA ARG A 46 43.513 -32.349 11.637 1.00 2.59 C ATOM 592 C ARG A 46 43.584 -32.095 10.135 1.00 2.28 C ATOM 593 O ARG A 46 43.558 -30.949 9.684 1.00 2.17 O ATOM 594 CB ARG A 46 44.919 -32.555 12.209 1.00 2.76 C ATOM 595 CG ARG A 46 44.999 -32.322 13.710 1.00 2.97 C ATOM 596 CD ARG A 46 46.440 -32.264 14.200 1.00 3.51 C ATOM 597 NE ARG A 46 46.864 -33.519 14.818 1.00 4.06 N ATOM 598 CZ ARG A 46 46.416 -33.953 15.996 1.00 4.80 C ATOM 599 NH1 ARG A 46 45.520 -33.244 16.670 1.00 5.15 N ATOM 600 NH2 ARG A 46 46.863 -35.099 16.497 1.00 5.49 N ATOM 0 H ARG A 46 43.116 -34.225 12.488 1.00 2.73 H new ATOM 0 HA ARG A 46 43.070 -31.479 12.121 1.00 2.59 H new ATOM 0 HB2 ARG A 46 45.248 -33.570 11.988 1.00 2.76 H new ATOM 0 HB3 ARG A 46 45.611 -31.879 11.706 1.00 2.76 H new ATOM 0 HG2 ARG A 46 44.493 -31.390 13.960 1.00 2.97 H new ATOM 0 HG3 ARG A 46 44.471 -33.121 14.230 1.00 2.97 H new ATOM 0 HD2 ARG A 46 47.098 -32.033 13.362 1.00 3.51 H new ATOM 0 HD3 ARG A 46 46.545 -31.453 14.920 1.00 3.51 H new ATOM 0 HE ARG A 46 47.542 -34.096 14.319 1.00 4.06 H new ATOM 0 HH11 ARG A 46 45.172 -32.365 16.287 1.00 5.15 H new ATOM 0 HH12 ARG A 46 45.179 -33.578 17.571 1.00 5.15 H new ATOM 0 HH21 ARG A 46 47.550 -35.648 15.980 1.00 5.49 H new ATOM 0 HH22 ARG A 46 46.519 -35.430 17.399 1.00 5.49 H new ATOM 614 N LYS A 47 43.657 -33.178 9.364 1.00 2.24 N ATOM 615 CA LYS A 47 43.712 -33.080 7.911 1.00 2.12 C ATOM 616 C LYS A 47 42.453 -32.395 7.388 1.00 2.02 C ATOM 617 O LYS A 47 42.526 -31.377 6.698 1.00 1.89 O ATOM 618 CB LYS A 47 43.862 -34.471 7.287 1.00 2.32 C ATOM 619 CG LYS A 47 45.284 -34.795 6.853 1.00 2.70 C ATOM 620 CD LYS A 47 45.376 -36.167 6.198 1.00 3.12 C ATOM 621 CE LYS A 47 46.192 -37.136 7.040 1.00 3.66 C ATOM 622 NZ LYS A 47 45.537 -37.431 8.343 1.00 4.30 N ATOM 0 H LYS A 47 43.679 -34.132 9.723 1.00 2.24 H new ATOM 0 HA LYS A 47 44.580 -32.483 7.631 1.00 2.12 H new ATOM 0 HB2 LYS A 47 43.531 -35.220 8.006 1.00 2.32 H new ATOM 0 HB3 LYS A 47 43.202 -34.545 6.423 1.00 2.32 H new ATOM 0 HG2 LYS A 47 45.633 -34.035 6.155 1.00 2.70 H new ATOM 0 HG3 LYS A 47 45.945 -34.760 7.719 1.00 2.70 H new ATOM 0 HD2 LYS A 47 44.373 -36.568 6.050 1.00 3.12 H new ATOM 0 HD3 LYS A 47 45.830 -36.070 5.212 1.00 3.12 H new ATOM 0 HE2 LYS A 47 46.335 -38.065 6.488 1.00 3.66 H new ATOM 0 HE3 LYS A 47 47.182 -36.716 7.219 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 46.240 -37.817 9.005 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 45.135 -36.556 8.736 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 44.778 -38.127 8.200 1.00 4.30 H new ATOM 636 N LYS A 48 41.296 -32.946 7.745 1.00 2.17 N ATOM 637 CA LYS A 48 40.019 -32.378 7.332 1.00 2.20 C ATOM 638 C LYS A 48 39.947 -30.911 7.739 1.00 2.02 C ATOM 639 O LYS A 48 39.557 -30.055 6.949 1.00 1.90 O ATOM 640 CB LYS A 48 38.859 -33.157 7.961 1.00 2.54 C ATOM 641 CG LYS A 48 38.618 -34.514 7.320 1.00 3.02 C ATOM 642 CD LYS A 48 37.924 -35.473 8.277 1.00 3.19 C ATOM 643 CE LYS A 48 37.296 -36.645 7.536 1.00 3.73 C ATOM 644 NZ LYS A 48 36.822 -37.704 8.468 1.00 4.17 N ATOM 0 H LYS A 48 41.218 -33.785 8.319 1.00 2.17 H new ATOM 0 HA LYS A 48 39.938 -32.451 6.247 1.00 2.20 H new ATOM 0 HB2 LYS A 48 39.060 -33.297 9.023 1.00 2.54 H new ATOM 0 HB3 LYS A 48 37.949 -32.562 7.885 1.00 2.54 H new ATOM 0 HG2 LYS A 48 38.010 -34.390 6.424 1.00 3.02 H new ATOM 0 HG3 LYS A 48 39.569 -34.941 7.003 1.00 3.02 H new ATOM 0 HD2 LYS A 48 38.644 -35.846 9.006 1.00 3.19 H new ATOM 0 HD3 LYS A 48 37.154 -34.939 8.834 1.00 3.19 H new ATOM 0 HE2 LYS A 48 36.458 -36.288 6.937 1.00 3.73 H new ATOM 0 HE3 LYS A 48 38.024 -37.069 6.845 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 35.928 -38.101 8.116 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 37.536 -38.458 8.529 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 36.671 -37.294 9.412 1.00 4.17 H new ATOM 658 N HIS A 49 40.341 -30.634 8.979 1.00 2.10 N ATOM 659 CA HIS A 49 40.339 -29.276 9.507 1.00 2.10 C ATOM 660 C HIS A 49 41.098 -28.338 8.573 1.00 1.82 C ATOM 661 O HIS A 49 40.599 -27.275 8.206 1.00 1.72 O ATOM 662 CB HIS A 49 40.967 -29.249 10.903 1.00 2.37 C ATOM 663 CG HIS A 49 41.140 -27.868 11.454 1.00 2.66 C ATOM 664 ND1 HIS A 49 42.274 -27.178 11.739 1.00 2.97 N flip ATOM 665 CD2 HIS A 49 40.095 -27.030 11.768 1.00 3.22 C flip ATOM 666 CE1 HIS A 49 41.931 -25.919 12.226 1.00 3.47 C flip ATOM 667 NE2 HIS A 49 40.613 -25.880 12.222 1.00 3.60 N flip ATOM 0 H HIS A 49 40.668 -31.339 9.640 1.00 2.10 H new ATOM 0 HA HIS A 49 39.306 -28.935 9.578 1.00 2.10 H new ATOM 0 HB2 HIS A 49 40.343 -29.828 11.584 1.00 2.37 H new ATOM 0 HB3 HIS A 49 41.939 -29.741 10.865 1.00 2.37 H new ATOM 0 HD2 HIS A 49 39.044 -27.258 11.667 1.00 3.22 H new ATOM 0 HE1 HIS A 49 42.605 -25.137 12.542 1.00 3.47 H new ATOM 0 HE2 HIS A 49 40.059 -25.079 12.525 1.00 3.60 H new ATOM 675 N LYS A 50 42.310 -28.738 8.190 1.00 1.76 N ATOM 676 CA LYS A 50 43.128 -27.933 7.293 1.00 1.67 C ATOM 677 C LYS A 50 42.321 -27.517 6.067 1.00 1.49 C ATOM 678 O LYS A 50 42.351 -26.357 5.656 1.00 1.46 O ATOM 679 CB LYS A 50 44.381 -28.707 6.870 1.00 1.79 C ATOM 680 CG LYS A 50 45.653 -27.871 6.890 1.00 2.13 C ATOM 681 CD LYS A 50 45.756 -26.972 5.665 1.00 2.64 C ATOM 682 CE LYS A 50 45.925 -25.509 6.051 1.00 3.07 C ATOM 683 NZ LYS A 50 44.699 -24.956 6.693 1.00 3.17 N ATOM 0 H LYS A 50 42.743 -29.612 8.487 1.00 1.76 H new ATOM 0 HA LYS A 50 43.440 -27.034 7.824 1.00 1.67 H new ATOM 0 HB2 LYS A 50 44.509 -29.563 7.532 1.00 1.79 H new ATOM 0 HB3 LYS A 50 44.232 -29.101 5.865 1.00 1.79 H new ATOM 0 HG2 LYS A 50 45.673 -27.260 7.792 1.00 2.13 H new ATOM 0 HG3 LYS A 50 46.521 -28.530 6.932 1.00 2.13 H new ATOM 0 HD2 LYS A 50 46.601 -27.287 5.053 1.00 2.64 H new ATOM 0 HD3 LYS A 50 44.860 -27.086 5.054 1.00 2.64 H new ATOM 0 HE2 LYS A 50 46.768 -25.409 6.734 1.00 3.07 H new ATOM 0 HE3 LYS A 50 46.164 -24.925 5.162 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 44.619 -23.943 6.473 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 43.862 -25.456 6.331 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 44.759 -25.083 7.723 1.00 3.17 H new ATOM 697 N ARG A 51 41.589 -28.470 5.500 1.00 1.50 N ATOM 698 CA ARG A 51 40.759 -28.201 4.332 1.00 1.50 C ATOM 699 C ARG A 51 39.613 -27.267 4.705 1.00 1.38 C ATOM 700 O ARG A 51 39.224 -26.396 3.926 1.00 1.27 O ATOM 701 CB ARG A 51 40.211 -29.510 3.759 1.00 1.77 C ATOM 702 CG ARG A 51 39.897 -29.446 2.273 1.00 2.17 C ATOM 703 CD ARG A 51 38.802 -30.430 1.893 1.00 2.52 C ATOM 704 NE ARG A 51 37.515 -30.061 2.480 1.00 2.87 N ATOM 705 CZ ARG A 51 36.506 -30.909 2.658 1.00 3.47 C ATOM 706 NH1 ARG A 51 36.630 -32.182 2.306 1.00 4.13 N ATOM 707 NH2 ARG A 51 35.369 -30.482 3.190 1.00 3.79 N ATOM 0 H ARG A 51 41.554 -29.434 5.830 1.00 1.50 H new ATOM 0 HA ARG A 51 41.371 -27.717 3.571 1.00 1.50 H new ATOM 0 HB2 ARG A 51 40.937 -30.304 3.933 1.00 1.77 H new ATOM 0 HB3 ARG A 51 39.305 -29.782 4.301 1.00 1.77 H new ATOM 0 HG2 ARG A 51 39.587 -28.435 2.009 1.00 2.17 H new ATOM 0 HG3 ARG A 51 40.798 -29.663 1.700 1.00 2.17 H new ATOM 0 HD2 ARG A 51 38.709 -30.469 0.808 1.00 2.52 H new ATOM 0 HD3 ARG A 51 39.080 -31.430 2.226 1.00 2.52 H new ATOM 0 HE ARG A 51 37.383 -29.092 2.771 1.00 2.87 H new ATOM 0 HH11 ARG A 51 37.503 -32.515 1.896 1.00 4.13 H new ATOM 0 HH12 ARG A 51 35.853 -32.828 2.445 1.00 4.13 H new ATOM 0 HH21 ARG A 51 35.269 -29.504 3.462 1.00 3.79 H new ATOM 0 HH22 ARG A 51 34.594 -31.131 3.327 1.00 3.79 H new ATOM 721 N LEU A 52 39.086 -27.449 5.913 1.00 1.51 N ATOM 722 CA LEU A 52 37.997 -26.618 6.407 1.00 1.55 C ATOM 723 C LEU A 52 38.427 -25.157 6.447 1.00 1.33 C ATOM 724 O LEU A 52 37.701 -24.279 5.994 1.00 1.22 O ATOM 725 CB LEU A 52 37.555 -27.084 7.797 1.00 1.88 C ATOM 726 CG LEU A 52 36.163 -27.723 7.857 1.00 2.21 C ATOM 727 CD1 LEU A 52 36.138 -29.033 7.081 1.00 2.90 C ATOM 728 CD2 LEU A 52 35.738 -27.947 9.300 1.00 2.58 C ATOM 0 H LEU A 52 39.398 -28.167 6.567 1.00 1.51 H new ATOM 0 HA LEU A 52 37.150 -26.714 5.728 1.00 1.55 H new ATOM 0 HB2 LEU A 52 38.284 -27.803 8.171 1.00 1.88 H new ATOM 0 HB3 LEU A 52 37.575 -26.229 8.473 1.00 1.88 H new ATOM 0 HG LEU A 52 35.453 -27.038 7.393 1.00 2.21 H new ATOM 0 HD11 LEU A 52 35.141 -29.470 7.137 1.00 2.90 H new ATOM 0 HD12 LEU A 52 36.394 -28.843 6.038 1.00 2.90 H new ATOM 0 HD13 LEU A 52 36.862 -29.725 7.512 1.00 2.90 H new ATOM 0 HD21 LEU A 52 34.747 -28.401 9.321 1.00 2.58 H new ATOM 0 HD22 LEU A 52 36.451 -28.609 9.791 1.00 2.58 H new ATOM 0 HD23 LEU A 52 35.710 -26.991 9.824 1.00 2.58 H new ATOM 740 N GLU A 53 39.624 -24.905 6.972 1.00 1.38 N ATOM 741 CA GLU A 53 40.147 -23.545 7.042 1.00 1.39 C ATOM 742 C GLU A 53 40.036 -22.876 5.678 1.00 1.16 C ATOM 743 O GLU A 53 39.432 -21.811 5.544 1.00 1.13 O ATOM 744 CB GLU A 53 41.605 -23.547 7.507 1.00 1.66 C ATOM 745 CG GLU A 53 41.808 -24.136 8.895 1.00 2.20 C ATOM 746 CD GLU A 53 40.501 -24.342 9.635 1.00 2.62 C ATOM 747 OE1 GLU A 53 39.616 -25.036 9.094 1.00 3.08 O ATOM 748 OE2 GLU A 53 40.356 -23.799 10.749 1.00 3.17 O ATOM 0 H GLU A 53 40.245 -25.619 7.352 1.00 1.38 H new ATOM 0 HA GLU A 53 39.556 -22.985 7.767 1.00 1.39 H new ATOM 0 HB2 GLU A 53 42.203 -24.112 6.792 1.00 1.66 H new ATOM 0 HB3 GLU A 53 41.980 -22.524 7.499 1.00 1.66 H new ATOM 0 HG2 GLU A 53 42.327 -25.090 8.809 1.00 2.20 H new ATOM 0 HG3 GLU A 53 42.451 -23.475 9.476 1.00 2.20 H new ATOM 755 N ALA A 54 40.601 -23.526 4.661 1.00 1.13 N ATOM 756 CA ALA A 54 40.543 -23.009 3.300 1.00 1.16 C ATOM 757 C ALA A 54 39.098 -22.718 2.915 1.00 0.99 C ATOM 758 O ALA A 54 38.770 -21.624 2.455 1.00 1.03 O ATOM 759 CB ALA A 54 41.166 -24.001 2.329 1.00 1.35 C ATOM 0 H ALA A 54 41.102 -24.409 4.756 1.00 1.13 H new ATOM 0 HA ALA A 54 41.111 -22.080 3.251 1.00 1.16 H new ATOM 0 HB1 ALA A 54 41.115 -23.600 1.317 1.00 1.35 H new ATOM 0 HB2 ALA A 54 42.208 -24.170 2.600 1.00 1.35 H new ATOM 0 HB3 ALA A 54 40.622 -24.944 2.374 1.00 1.35 H new ATOM 765 N GLU A 55 38.235 -23.707 3.131 1.00 0.99 N ATOM 766 CA GLU A 55 36.816 -23.566 2.833 1.00 1.06 C ATOM 767 C GLU A 55 36.271 -22.276 3.441 1.00 0.88 C ATOM 768 O GLU A 55 35.693 -21.449 2.742 1.00 0.90 O ATOM 769 CB GLU A 55 36.045 -24.773 3.375 1.00 1.35 C ATOM 770 CG GLU A 55 35.860 -25.891 2.361 1.00 1.84 C ATOM 771 CD GLU A 55 35.504 -27.211 3.015 1.00 1.93 C ATOM 772 OE1 GLU A 55 36.370 -27.783 3.706 1.00 2.20 O ATOM 773 OE2 GLU A 55 34.356 -27.671 2.845 1.00 2.60 O ATOM 0 H GLU A 55 38.496 -24.616 3.512 1.00 0.99 H new ATOM 0 HA GLU A 55 36.688 -23.521 1.752 1.00 1.06 H new ATOM 0 HB2 GLU A 55 36.571 -25.167 4.244 1.00 1.35 H new ATOM 0 HB3 GLU A 55 35.065 -24.442 3.719 1.00 1.35 H new ATOM 0 HG2 GLU A 55 35.075 -25.614 1.658 1.00 1.84 H new ATOM 0 HG3 GLU A 55 36.777 -26.010 1.784 1.00 1.84 H new ATOM 780 N LEU A 56 36.472 -22.117 4.749 1.00 0.90 N ATOM 781 CA LEU A 56 36.013 -20.933 5.472 1.00 0.98 C ATOM 782 C LEU A 56 36.545 -19.647 4.846 1.00 0.91 C ATOM 783 O LEU A 56 35.868 -18.619 4.853 1.00 0.99 O ATOM 784 CB LEU A 56 36.449 -21.011 6.934 1.00 1.26 C ATOM 785 CG LEU A 56 35.825 -22.157 7.737 1.00 2.02 C ATOM 786 CD1 LEU A 56 36.598 -22.386 9.027 1.00 2.67 C ATOM 787 CD2 LEU A 56 34.360 -21.868 8.032 1.00 2.55 C ATOM 0 H LEU A 56 36.954 -22.800 5.333 1.00 0.90 H new ATOM 0 HA LEU A 56 34.925 -20.912 5.412 1.00 0.98 H new ATOM 0 HB2 LEU A 56 37.534 -21.112 6.969 1.00 1.26 H new ATOM 0 HB3 LEU A 56 36.201 -20.069 7.422 1.00 1.26 H new ATOM 0 HG LEU A 56 35.879 -23.067 7.139 1.00 2.02 H new ATOM 0 HD11 LEU A 56 36.141 -23.203 9.585 1.00 2.67 H new ATOM 0 HD12 LEU A 56 37.631 -22.640 8.792 1.00 2.67 H new ATOM 0 HD13 LEU A 56 36.576 -21.478 9.630 1.00 2.67 H new ATOM 0 HD21 LEU A 56 33.934 -22.693 8.603 1.00 2.55 H new ATOM 0 HD22 LEU A 56 34.280 -20.947 8.610 1.00 2.55 H new ATOM 0 HD23 LEU A 56 33.815 -21.756 7.095 1.00 2.55 H new ATOM 799 N ALA A 57 37.763 -19.709 4.320 1.00 0.92 N ATOM 800 CA ALA A 57 38.392 -18.546 3.704 1.00 1.14 C ATOM 801 C ALA A 57 37.699 -18.150 2.403 1.00 1.08 C ATOM 802 O ALA A 57 37.673 -16.977 2.046 1.00 1.22 O ATOM 803 CB ALA A 57 39.869 -18.816 3.454 1.00 1.37 C ATOM 0 H ALA A 57 38.335 -20.553 4.308 1.00 0.92 H new ATOM 0 HA ALA A 57 38.293 -17.711 4.398 1.00 1.14 H new ATOM 0 HB1 ALA A 57 40.326 -17.940 2.994 1.00 1.37 H new ATOM 0 HB2 ALA A 57 40.365 -19.029 4.401 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.975 -19.672 2.788 1.00 1.37 H new ATOM 809 N ALA A 58 37.157 -19.137 1.694 1.00 1.03 N ATOM 810 CA ALA A 58 36.475 -18.898 0.420 1.00 1.19 C ATOM 811 C ALA A 58 35.105 -18.243 0.608 1.00 1.03 C ATOM 812 O ALA A 58 34.563 -17.666 -0.333 1.00 1.17 O ATOM 813 CB ALA A 58 36.329 -20.204 -0.347 1.00 1.43 C ATOM 0 H ALA A 58 37.176 -20.116 1.980 1.00 1.03 H new ATOM 0 HA ALA A 58 37.090 -18.203 -0.152 1.00 1.19 H new ATOM 0 HB1 ALA A 58 35.821 -20.016 -1.293 1.00 1.43 H new ATOM 0 HB2 ALA A 58 37.316 -20.623 -0.543 1.00 1.43 H new ATOM 0 HB3 ALA A 58 35.746 -20.910 0.244 1.00 1.43 H new ATOM 819 N HIS A 59 34.541 -18.342 1.809 1.00 0.87 N ATOM 820 CA HIS A 59 33.230 -17.753 2.077 1.00 0.90 C ATOM 821 C HIS A 59 33.277 -16.240 1.938 1.00 0.80 C ATOM 822 O HIS A 59 32.360 -15.628 1.397 1.00 0.89 O ATOM 823 CB HIS A 59 32.742 -18.110 3.481 1.00 1.13 C ATOM 824 CG HIS A 59 32.554 -19.573 3.697 1.00 1.46 C ATOM 825 ND1 HIS A 59 33.588 -20.472 3.723 1.00 2.16 N ATOM 826 CD2 HIS A 59 31.424 -20.291 3.917 1.00 1.68 C ATOM 827 CE1 HIS A 59 33.075 -21.684 3.957 1.00 2.61 C ATOM 828 NE2 HIS A 59 31.767 -21.628 4.093 1.00 2.36 N ATOM 0 H HIS A 59 34.965 -18.819 2.605 1.00 0.87 H new ATOM 0 HA HIS A 59 32.536 -18.162 1.343 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.458 -17.733 4.211 1.00 1.13 H new ATOM 0 HB3 HIS A 59 31.797 -17.600 3.668 1.00 1.13 H new ATOM 0 HD1 HIS A 59 34.575 -20.255 3.588 1.00 2.16 H new ATOM 0 HD2 HIS A 59 30.422 -19.890 3.950 1.00 1.68 H new ATOM 0 HE1 HIS A 59 33.658 -22.591 4.026 1.00 2.61 H new ATOM 0 HE2 HIS A 59 31.135 -22.405 4.287 1.00 2.36 H new ATOM 836 N GLU A 60 34.341 -15.637 2.451 1.00 0.87 N ATOM 837 CA GLU A 60 34.485 -14.191 2.388 1.00 1.09 C ATOM 838 C GLU A 60 34.462 -13.708 0.937 1.00 1.11 C ATOM 839 O GLU A 60 33.587 -12.945 0.554 1.00 1.12 O ATOM 840 CB GLU A 60 35.774 -13.752 3.100 1.00 1.39 C ATOM 841 CG GLU A 60 36.327 -12.408 2.637 1.00 1.92 C ATOM 842 CD GLU A 60 35.309 -11.283 2.714 1.00 2.39 C ATOM 843 OE1 GLU A 60 34.533 -11.245 3.692 1.00 2.70 O ATOM 844 OE2 GLU A 60 35.293 -10.438 1.796 1.00 3.01 O ATOM 0 H GLU A 60 35.111 -16.123 2.912 1.00 0.87 H new ATOM 0 HA GLU A 60 33.640 -13.733 2.903 1.00 1.09 H new ATOM 0 HB2 GLU A 60 35.583 -13.702 4.172 1.00 1.39 H new ATOM 0 HB3 GLU A 60 36.536 -14.516 2.948 1.00 1.39 H new ATOM 0 HG2 GLU A 60 37.192 -12.149 3.247 1.00 1.92 H new ATOM 0 HG3 GLU A 60 36.678 -12.502 1.609 1.00 1.92 H new ATOM 851 N PRO A 61 35.424 -14.144 0.112 1.00 1.23 N ATOM 852 CA PRO A 61 35.501 -13.740 -1.295 1.00 1.42 C ATOM 853 C PRO A 61 34.265 -14.125 -2.110 1.00 1.32 C ATOM 854 O PRO A 61 33.746 -13.317 -2.881 1.00 1.44 O ATOM 855 CB PRO A 61 36.736 -14.490 -1.824 1.00 1.60 C ATOM 856 CG PRO A 61 36.999 -15.570 -0.834 1.00 1.59 C ATOM 857 CD PRO A 61 36.516 -15.052 0.485 1.00 1.29 C ATOM 0 HA PRO A 61 35.563 -12.655 -1.384 1.00 1.42 H new ATOM 0 HB2 PRO A 61 36.550 -14.903 -2.815 1.00 1.60 H new ATOM 0 HB3 PRO A 61 37.593 -13.822 -1.913 1.00 1.60 H new ATOM 0 HG2 PRO A 61 36.475 -16.486 -1.108 1.00 1.59 H new ATOM 0 HG3 PRO A 61 38.061 -15.810 -0.793 1.00 1.59 H new ATOM 0 HD2 PRO A 61 36.166 -15.858 1.130 1.00 1.29 H new ATOM 0 HD3 PRO A 61 37.306 -14.531 1.026 1.00 1.29 H new ATOM 865 N ALA A 62 33.819 -15.368 -1.956 1.00 1.18 N ATOM 866 CA ALA A 62 32.667 -15.871 -2.709 1.00 1.22 C ATOM 867 C ALA A 62 31.349 -15.222 -2.300 1.00 1.00 C ATOM 868 O ALA A 62 30.550 -14.842 -3.157 1.00 1.06 O ATOM 869 CB ALA A 62 32.567 -17.386 -2.574 1.00 1.31 C ATOM 0 H ALA A 62 34.235 -16.047 -1.319 1.00 1.18 H new ATOM 0 HA ALA A 62 32.839 -15.602 -3.751 1.00 1.22 H new ATOM 0 HB1 ALA A 62 31.707 -17.746 -3.138 1.00 1.31 H new ATOM 0 HB2 ALA A 62 33.475 -17.847 -2.963 1.00 1.31 H new ATOM 0 HB3 ALA A 62 32.448 -17.651 -1.523 1.00 1.31 H new ATOM 875 N ILE A 63 31.103 -15.118 -1.001 1.00 0.82 N ATOM 876 CA ILE A 63 29.856 -14.537 -0.516 1.00 0.73 C ATOM 877 C ILE A 63 29.896 -13.010 -0.544 1.00 0.73 C ATOM 878 O ILE A 63 28.922 -12.371 -0.943 1.00 0.73 O ATOM 879 CB ILE A 63 29.510 -15.047 0.902 1.00 0.79 C ATOM 880 CG1 ILE A 63 29.270 -16.566 0.866 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.286 -14.325 1.451 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.034 -17.188 2.226 1.00 0.67 C ATOM 0 H ILE A 63 31.743 -15.425 -0.269 1.00 0.82 H new ATOM 0 HA ILE A 63 29.068 -14.862 -1.195 1.00 0.73 H new ATOM 0 HB ILE A 63 30.350 -14.837 1.564 1.00 0.79 H new ATOM 0 HG12 ILE A 63 28.409 -16.772 0.230 1.00 1.08 H new ATOM 0 HG13 ILE A 63 30.131 -17.048 0.403 1.00 1.08 H new ATOM 0 HG21 ILE A 63 28.060 -14.699 2.450 1.00 0.96 H new ATOM 0 HG22 ILE A 63 28.487 -13.255 1.501 1.00 0.96 H new ATOM 0 HG23 ILE A 63 27.434 -14.504 0.795 1.00 0.96 H new ATOM 0 HD11 ILE A 63 28.873 -18.260 2.113 1.00 0.67 H new ATOM 0 HD12 ILE A 63 29.904 -17.016 2.860 1.00 0.67 H new ATOM 0 HD13 ILE A 63 28.155 -16.736 2.685 1.00 0.67 H new ATOM 894 N GLN A 64 31.024 -12.424 -0.142 1.00 0.83 N ATOM 895 CA GLN A 64 31.166 -10.968 -0.146 1.00 0.95 C ATOM 896 C GLN A 64 30.816 -10.395 -1.514 1.00 0.95 C ATOM 897 O GLN A 64 30.016 -9.468 -1.611 1.00 0.92 O ATOM 898 CB GLN A 64 32.584 -10.546 0.243 1.00 1.17 C ATOM 899 CG GLN A 64 32.781 -9.036 0.288 1.00 1.62 C ATOM 900 CD GLN A 64 33.707 -8.536 -0.806 1.00 2.58 C ATOM 901 OE1 GLN A 64 33.262 -7.955 -1.796 1.00 3.24 O ATOM 902 NE2 GLN A 64 35.001 -8.768 -0.636 1.00 3.27 N ATOM 0 H GLN A 64 31.846 -12.930 0.188 1.00 0.83 H new ATOM 0 HA GLN A 64 30.472 -10.571 0.595 1.00 0.95 H new ATOM 0 HB2 GLN A 64 32.823 -10.964 1.221 1.00 1.17 H new ATOM 0 HB3 GLN A 64 33.290 -10.975 -0.468 1.00 1.17 H new ATOM 0 HG2 GLN A 64 31.813 -8.544 0.193 1.00 1.62 H new ATOM 0 HG3 GLN A 64 33.187 -8.755 1.260 1.00 1.62 H new ATOM 0 HE21 GLN A 64 35.327 -9.253 0.200 1.00 3.27 H new ATOM 0 HE22 GLN A 64 35.671 -8.461 -1.341 1.00 3.27 H new ATOM 911 N GLY A 65 31.413 -10.951 -2.571 1.00 1.05 N ATOM 912 CA GLY A 65 31.132 -10.472 -3.913 1.00 1.14 C ATOM 913 C GLY A 65 29.650 -10.253 -4.135 1.00 0.94 C ATOM 914 O GLY A 65 29.231 -9.197 -4.610 1.00 0.94 O ATOM 0 H GLY A 65 32.082 -11.720 -2.520 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.667 -9.538 -4.085 1.00 1.14 H new ATOM 0 HA3 GLY A 65 31.506 -11.192 -4.641 1.00 1.14 H new ATOM 918 N VAL A 66 28.852 -11.252 -3.771 1.00 0.83 N ATOM 919 CA VAL A 66 27.406 -11.165 -3.917 1.00 0.72 C ATOM 920 C VAL A 66 26.852 -9.992 -3.117 1.00 0.59 C ATOM 921 O VAL A 66 26.174 -9.122 -3.660 1.00 0.56 O ATOM 922 CB VAL A 66 26.715 -12.474 -3.466 1.00 0.77 C ATOM 923 CG1 VAL A 66 25.238 -12.464 -3.842 1.00 1.22 C ATOM 924 CG2 VAL A 66 27.419 -13.682 -4.067 1.00 1.46 C ATOM 0 H VAL A 66 29.184 -12.131 -3.373 1.00 0.83 H new ATOM 0 HA VAL A 66 27.195 -11.008 -4.975 1.00 0.72 H new ATOM 0 HB VAL A 66 26.785 -12.542 -2.380 1.00 0.77 H new ATOM 0 HG11 VAL A 66 24.773 -13.394 -3.515 1.00 1.22 H new ATOM 0 HG12 VAL A 66 24.745 -11.622 -3.357 1.00 1.22 H new ATOM 0 HG13 VAL A 66 25.138 -12.369 -4.923 1.00 1.22 H new ATOM 0 HG21 VAL A 66 26.920 -14.594 -3.739 1.00 1.46 H new ATOM 0 HG22 VAL A 66 27.384 -13.620 -5.155 1.00 1.46 H new ATOM 0 HG23 VAL A 66 28.458 -13.699 -3.738 1.00 1.46 H new ATOM 934 N LEU A 67 27.155 -9.968 -1.823 1.00 0.58 N ATOM 935 CA LEU A 67 26.691 -8.893 -0.949 1.00 0.62 C ATOM 936 C LEU A 67 27.032 -7.527 -1.537 1.00 0.69 C ATOM 937 O LEU A 67 26.180 -6.645 -1.619 1.00 0.71 O ATOM 938 CB LEU A 67 27.308 -9.029 0.447 1.00 0.74 C ATOM 939 CG LEU A 67 26.509 -9.886 1.438 1.00 1.29 C ATOM 940 CD1 LEU A 67 25.260 -9.146 1.899 1.00 1.90 C ATOM 941 CD2 LEU A 67 26.147 -11.232 0.824 1.00 2.13 C ATOM 0 H LEU A 67 27.718 -10.678 -1.356 1.00 0.58 H new ATOM 0 HA LEU A 67 25.607 -8.974 -0.866 1.00 0.62 H new ATOM 0 HB2 LEU A 67 28.306 -9.456 0.345 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.430 -8.032 0.871 1.00 0.74 H new ATOM 0 HG LEU A 67 27.136 -10.073 2.310 1.00 1.29 H new ATOM 0 HD11 LEU A 67 24.706 -9.769 2.601 1.00 1.90 H new ATOM 0 HD12 LEU A 67 25.548 -8.216 2.389 1.00 1.90 H new ATOM 0 HD13 LEU A 67 24.631 -8.923 1.038 1.00 1.90 H new ATOM 0 HD21 LEU A 67 25.581 -11.821 1.546 1.00 2.13 H new ATOM 0 HD22 LEU A 67 25.542 -11.074 -0.069 1.00 2.13 H new ATOM 0 HD23 LEU A 67 27.058 -11.766 0.555 1.00 2.13 H new ATOM 953 N ASP A 68 28.286 -7.364 -1.942 1.00 0.79 N ATOM 954 CA ASP A 68 28.752 -6.110 -2.523 1.00 0.94 C ATOM 955 C ASP A 68 27.889 -5.708 -3.712 1.00 0.86 C ATOM 956 O ASP A 68 27.407 -4.578 -3.784 1.00 0.91 O ATOM 957 CB ASP A 68 30.221 -6.238 -2.950 1.00 1.12 C ATOM 958 CG ASP A 68 30.587 -5.291 -4.079 1.00 1.55 C ATOM 959 OD1 ASP A 68 30.999 -4.150 -3.787 1.00 2.24 O ATOM 960 OD2 ASP A 68 30.455 -5.690 -5.256 1.00 2.04 O ATOM 0 H ASP A 68 29.002 -8.088 -1.878 1.00 0.79 H new ATOM 0 HA ASP A 68 28.671 -5.331 -1.765 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.863 -6.039 -2.092 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.416 -7.264 -3.264 1.00 1.12 H new ATOM 965 N THR A 69 27.696 -6.633 -4.648 1.00 0.80 N ATOM 966 CA THR A 69 26.887 -6.350 -5.825 1.00 0.80 C ATOM 967 C THR A 69 25.459 -5.995 -5.417 1.00 0.67 C ATOM 968 O THR A 69 24.897 -5.014 -5.898 1.00 0.73 O ATOM 969 CB THR A 69 26.891 -7.542 -6.781 1.00 0.86 C ATOM 970 OG1 THR A 69 28.213 -7.999 -6.998 1.00 1.02 O ATOM 971 CG2 THR A 69 26.292 -7.229 -8.135 1.00 0.94 C ATOM 0 H THR A 69 28.085 -7.575 -4.614 1.00 0.80 H new ATOM 0 HA THR A 69 27.321 -5.495 -6.343 1.00 0.80 H new ATOM 0 HB THR A 69 26.278 -8.302 -6.297 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.500 -8.545 -6.236 1.00 1.02 H new ATOM 0 HG21 THR A 69 26.327 -8.119 -8.763 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.256 -6.913 -8.010 1.00 0.94 H new ATOM 0 HG23 THR A 69 26.861 -6.429 -8.608 1.00 0.94 H new ATOM 979 N GLY A 70 24.878 -6.798 -4.524 1.00 0.57 N ATOM 980 CA GLY A 70 23.524 -6.537 -4.064 1.00 0.59 C ATOM 981 C GLY A 70 23.380 -5.157 -3.453 1.00 0.69 C ATOM 982 O GLY A 70 22.381 -4.474 -3.680 1.00 0.79 O ATOM 0 H GLY A 70 25.320 -7.621 -4.114 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.833 -6.635 -4.901 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.241 -7.289 -3.328 1.00 0.59 H new ATOM 986 N LYS A 71 24.374 -4.738 -2.671 1.00 0.76 N ATOM 987 CA LYS A 71 24.335 -3.424 -2.041 1.00 0.94 C ATOM 988 C LYS A 71 24.219 -2.345 -3.108 1.00 0.99 C ATOM 989 O LYS A 71 23.434 -1.403 -2.975 1.00 1.12 O ATOM 990 CB LYS A 71 25.589 -3.199 -1.189 1.00 1.05 C ATOM 991 CG LYS A 71 25.493 -1.996 -0.261 1.00 1.35 C ATOM 992 CD LYS A 71 26.109 -0.753 -0.888 1.00 1.91 C ATOM 993 CE LYS A 71 25.508 0.521 -0.313 1.00 2.53 C ATOM 994 NZ LYS A 71 24.022 0.529 -0.416 1.00 3.25 N ATOM 0 H LYS A 71 25.208 -5.286 -2.461 1.00 0.76 H new ATOM 0 HA LYS A 71 23.464 -3.372 -1.387 1.00 0.94 H new ATOM 0 HB2 LYS A 71 25.777 -4.092 -0.593 1.00 1.05 H new ATOM 0 HB3 LYS A 71 26.447 -3.070 -1.849 1.00 1.05 H new ATOM 0 HG2 LYS A 71 24.447 -1.803 -0.022 1.00 1.35 H new ATOM 0 HG3 LYS A 71 25.999 -2.219 0.678 1.00 1.35 H new ATOM 0 HD2 LYS A 71 27.186 -0.756 -0.720 1.00 1.91 H new ATOM 0 HD3 LYS A 71 25.954 -0.774 -1.967 1.00 1.91 H new ATOM 0 HE2 LYS A 71 25.800 0.621 0.732 1.00 2.53 H new ATOM 0 HE3 LYS A 71 25.913 1.384 -0.841 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 23.702 1.462 -0.745 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 23.717 -0.200 -1.092 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 23.608 0.330 0.517 1.00 3.25 H new ATOM 1008 N LYS A 72 24.993 -2.505 -4.177 1.00 0.95 N ATOM 1009 CA LYS A 72 24.971 -1.561 -5.287 1.00 1.08 C ATOM 1010 C LYS A 72 23.610 -1.605 -5.967 1.00 1.06 C ATOM 1011 O LYS A 72 22.993 -0.571 -6.217 1.00 1.26 O ATOM 1012 CB LYS A 72 26.080 -1.891 -6.292 1.00 1.14 C ATOM 1013 CG LYS A 72 27.272 -0.949 -6.223 1.00 1.49 C ATOM 1014 CD LYS A 72 28.047 -1.113 -4.920 1.00 2.07 C ATOM 1015 CE LYS A 72 29.378 -1.815 -5.143 1.00 2.89 C ATOM 1016 NZ LYS A 72 29.196 -3.180 -5.708 1.00 3.71 N ATOM 0 H LYS A 72 25.644 -3.281 -4.297 1.00 0.95 H new ATOM 0 HA LYS A 72 25.146 -0.556 -4.903 1.00 1.08 H new ATOM 0 HB2 LYS A 72 26.424 -2.910 -6.117 1.00 1.14 H new ATOM 0 HB3 LYS A 72 25.665 -1.863 -7.299 1.00 1.14 H new ATOM 0 HG2 LYS A 72 27.935 -1.139 -7.067 1.00 1.49 H new ATOM 0 HG3 LYS A 72 26.927 0.081 -6.314 1.00 1.49 H new ATOM 0 HD2 LYS A 72 28.222 -0.134 -4.475 1.00 2.07 H new ATOM 0 HD3 LYS A 72 27.449 -1.684 -4.210 1.00 2.07 H new ATOM 0 HE2 LYS A 72 29.993 -1.221 -5.819 1.00 2.89 H new ATOM 0 HE3 LYS A 72 29.916 -1.882 -4.198 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 30.125 -3.632 -5.830 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 28.616 -3.750 -5.059 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 28.720 -3.113 -6.630 1.00 3.71 H new ATOM 1030 N LEU A 73 23.144 -2.819 -6.245 1.00 0.89 N ATOM 1031 CA LEU A 73 21.848 -3.023 -6.876 1.00 0.98 C ATOM 1032 C LEU A 73 20.774 -2.218 -6.151 1.00 1.14 C ATOM 1033 O LEU A 73 19.957 -1.549 -6.780 1.00 1.32 O ATOM 1034 CB LEU A 73 21.484 -4.513 -6.863 1.00 0.97 C ATOM 1035 CG LEU A 73 20.796 -5.034 -8.129 1.00 0.92 C ATOM 1036 CD1 LEU A 73 20.682 -6.553 -8.086 1.00 0.96 C ATOM 1037 CD2 LEU A 73 19.422 -4.395 -8.297 1.00 1.52 C ATOM 0 H LEU A 73 23.650 -3.681 -6.041 1.00 0.89 H new ATOM 0 HA LEU A 73 21.906 -2.681 -7.909 1.00 0.98 H new ATOM 0 HB2 LEU A 73 22.394 -5.090 -6.701 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.831 -4.702 -6.011 1.00 0.97 H new ATOM 0 HG LEU A 73 21.406 -4.759 -8.990 1.00 0.92 H new ATOM 0 HD11 LEU A 73 20.191 -6.907 -8.993 1.00 0.96 H new ATOM 0 HD12 LEU A 73 21.678 -6.991 -8.018 1.00 0.96 H new ATOM 0 HD13 LEU A 73 20.095 -6.849 -7.216 1.00 0.96 H new ATOM 0 HD21 LEU A 73 18.951 -4.779 -9.202 1.00 1.52 H new ATOM 0 HD22 LEU A 73 18.801 -4.636 -7.434 1.00 1.52 H new ATOM 0 HD23 LEU A 73 19.531 -3.313 -8.375 1.00 1.52 H new ATOM 1049 N SER A 74 20.789 -2.287 -4.820 1.00 1.13 N ATOM 1050 CA SER A 74 19.821 -1.565 -4.001 1.00 1.36 C ATOM 1051 C SER A 74 19.814 -0.078 -4.343 1.00 1.52 C ATOM 1052 O SER A 74 18.777 0.480 -4.704 1.00 1.76 O ATOM 1053 CB SER A 74 20.136 -1.756 -2.515 1.00 1.37 C ATOM 1054 OG SER A 74 20.281 -3.129 -2.195 1.00 1.67 O ATOM 0 H SER A 74 21.463 -2.837 -4.287 1.00 1.13 H new ATOM 0 HA SER A 74 18.832 -1.971 -4.213 1.00 1.36 H new ATOM 0 HB2 SER A 74 21.052 -1.222 -2.263 1.00 1.37 H new ATOM 0 HB3 SER A 74 19.338 -1.322 -1.913 1.00 1.37 H new ATOM 0 HG SER A 74 21.098 -3.477 -2.609 1.00 1.67 H new ATOM 1060 N ASP A 75 20.977 0.558 -4.227 1.00 1.47 N ATOM 1061 CA ASP A 75 21.108 1.981 -4.525 1.00 1.71 C ATOM 1062 C ASP A 75 20.658 2.284 -5.950 1.00 1.86 C ATOM 1063 O ASP A 75 20.134 3.364 -6.230 1.00 2.14 O ATOM 1064 CB ASP A 75 22.560 2.434 -4.334 1.00 1.72 C ATOM 1065 CG ASP A 75 23.173 1.907 -3.050 1.00 1.79 C ATOM 1066 OD1 ASP A 75 22.560 2.097 -1.978 1.00 2.34 O ATOM 1067 OD2 ASP A 75 24.265 1.304 -3.114 1.00 2.15 O ATOM 0 H ASP A 75 21.843 0.109 -3.928 1.00 1.47 H new ATOM 0 HA ASP A 75 20.467 2.529 -3.834 1.00 1.71 H new ATOM 0 HB2 ASP A 75 23.156 2.097 -5.182 1.00 1.72 H new ATOM 0 HB3 ASP A 75 22.599 3.523 -4.330 1.00 1.72 H new ATOM 1072 N ASP A 76 20.877 1.328 -6.846 1.00 1.77 N ATOM 1073 CA ASP A 76 20.507 1.484 -8.250 1.00 2.01 C ATOM 1074 C ASP A 76 19.021 1.209 -8.464 1.00 1.98 C ATOM 1075 O ASP A 76 18.425 1.708 -9.419 1.00 2.28 O ATOM 1076 CB ASP A 76 21.339 0.539 -9.128 1.00 2.20 C ATOM 1077 CG ASP A 76 22.536 1.218 -9.772 1.00 2.36 C ATOM 1078 OD1 ASP A 76 22.936 2.305 -9.307 1.00 2.64 O ATOM 1079 OD2 ASP A 76 23.073 0.660 -10.752 1.00 2.89 O ATOM 0 H ASP A 76 21.311 0.432 -6.624 1.00 1.77 H new ATOM 0 HA ASP A 76 20.711 2.516 -8.535 1.00 2.01 H new ATOM 0 HB2 ASP A 76 21.687 -0.297 -8.522 1.00 2.20 H new ATOM 0 HB3 ASP A 76 20.702 0.124 -9.909 1.00 2.20 H new ATOM 1084 N ASN A 77 18.436 0.404 -7.581 1.00 1.87 N ATOM 1085 CA ASN A 77 17.023 0.046 -7.673 1.00 2.13 C ATOM 1086 C ASN A 77 16.277 0.447 -6.404 1.00 1.92 C ATOM 1087 O ASN A 77 16.080 -0.371 -5.501 1.00 2.30 O ATOM 1088 CB ASN A 77 16.875 -1.461 -7.912 1.00 3.00 C ATOM 1089 CG ASN A 77 17.218 -1.862 -9.333 1.00 3.68 C ATOM 1090 OD1 ASN A 77 18.400 -1.470 -9.792 1.00 3.93 O flip ATOM 1091 ND2 ASN A 77 16.433 -2.527 -10.008 1.00 4.42 N flip ATOM 0 H ASN A 77 18.922 -0.015 -6.789 1.00 1.87 H new ATOM 0 HA ASN A 77 16.588 0.587 -8.514 1.00 2.13 H new ATOM 0 HB2 ASN A 77 17.522 -2.000 -7.220 1.00 3.00 H new ATOM 0 HB3 ASN A 77 15.851 -1.761 -7.691 1.00 3.00 H new ATOM 0 HD21 ASN A 77 15.534 -2.807 -9.616 1.00 4.42 H new ATOM 0 HD22 ASN A 77 16.681 -2.798 -10.960 1.00 4.42 H new ATOM 1098 N THR A 78 15.856 1.709 -6.341 1.00 2.42 N ATOM 1099 CA THR A 78 15.124 2.213 -5.183 1.00 3.13 C ATOM 1100 C THR A 78 13.929 1.317 -4.875 1.00 3.07 C ATOM 1101 O THR A 78 13.780 0.827 -3.756 1.00 3.33 O ATOM 1102 CB THR A 78 14.657 3.653 -5.430 1.00 4.02 C ATOM 1103 OG1 THR A 78 15.345 4.223 -6.530 1.00 4.29 O ATOM 1104 CG2 THR A 78 14.866 4.563 -4.238 1.00 4.87 C ATOM 0 H THR A 78 16.009 2.399 -7.077 1.00 2.42 H new ATOM 0 HA THR A 78 15.794 2.206 -4.323 1.00 3.13 H new ATOM 0 HB THR A 78 13.588 3.579 -5.628 1.00 4.02 H new ATOM 0 HG1 THR A 78 14.892 3.975 -7.363 1.00 4.29 H new ATOM 0 HG21 THR A 78 14.515 5.566 -4.480 1.00 4.87 H new ATOM 0 HG22 THR A 78 14.307 4.179 -3.385 1.00 4.87 H new ATOM 0 HG23 THR A 78 15.927 4.600 -3.990 1.00 4.87 H new ATOM 1112 N ILE A 79 13.086 1.100 -5.882 1.00 3.06 N ATOM 1113 CA ILE A 79 11.904 0.254 -5.732 1.00 3.21 C ATOM 1114 C ILE A 79 12.199 -1.171 -6.205 1.00 2.90 C ATOM 1115 O ILE A 79 12.271 -1.437 -7.405 1.00 3.08 O ATOM 1116 CB ILE A 79 10.696 0.830 -6.514 1.00 3.81 C ATOM 1117 CG1 ILE A 79 9.540 -0.179 -6.567 1.00 4.11 C ATOM 1118 CG2 ILE A 79 11.107 1.249 -7.922 1.00 4.49 C ATOM 1119 CD1 ILE A 79 8.896 -0.443 -5.221 1.00 4.56 C ATOM 0 H ILE A 79 13.200 1.500 -6.813 1.00 3.06 H new ATOM 0 HA ILE A 79 11.647 0.232 -4.673 1.00 3.21 H new ATOM 0 HB ILE A 79 10.349 1.716 -5.982 1.00 3.81 H new ATOM 0 HG12 ILE A 79 8.780 0.189 -7.257 1.00 4.11 H new ATOM 0 HG13 ILE A 79 9.910 -1.120 -6.973 1.00 4.11 H new ATOM 0 HG21 ILE A 79 10.241 1.650 -8.450 1.00 4.49 H new ATOM 0 HG22 ILE A 79 11.882 2.014 -7.863 1.00 4.49 H new ATOM 0 HG23 ILE A 79 11.492 0.384 -8.461 1.00 4.49 H new ATOM 0 HD11 ILE A 79 8.088 -1.165 -5.339 1.00 4.56 H new ATOM 0 HD12 ILE A 79 9.641 -0.842 -4.533 1.00 4.56 H new ATOM 0 HD13 ILE A 79 8.494 0.488 -4.821 1.00 4.56 H new ATOM 1131 N GLY A 80 12.376 -2.080 -5.250 1.00 2.87 N ATOM 1132 CA GLY A 80 12.667 -3.465 -5.581 1.00 2.77 C ATOM 1133 C GLY A 80 13.748 -4.049 -4.696 1.00 2.49 C ATOM 1134 O GLY A 80 13.744 -5.246 -4.401 1.00 2.38 O ATOM 0 H GLY A 80 12.323 -1.882 -4.251 1.00 2.87 H new ATOM 0 HA2 GLY A 80 11.758 -4.059 -5.482 1.00 2.77 H new ATOM 0 HA3 GLY A 80 12.979 -3.530 -6.623 1.00 2.77 H new ATOM 1138 N LYS A 81 14.674 -3.194 -4.270 1.00 2.47 N ATOM 1139 CA LYS A 81 15.776 -3.615 -3.406 1.00 2.30 C ATOM 1140 C LYS A 81 15.277 -4.469 -2.241 1.00 2.13 C ATOM 1141 O LYS A 81 15.926 -5.437 -1.855 1.00 1.92 O ATOM 1142 CB LYS A 81 16.518 -2.391 -2.867 1.00 2.45 C ATOM 1143 CG LYS A 81 15.634 -1.464 -2.047 1.00 2.98 C ATOM 1144 CD LYS A 81 16.373 -0.208 -1.613 1.00 3.54 C ATOM 1145 CE LYS A 81 15.508 0.666 -0.714 1.00 4.27 C ATOM 1146 NZ LYS A 81 14.053 0.416 -0.919 1.00 4.40 N ATOM 0 H LYS A 81 14.684 -2.203 -4.509 1.00 2.47 H new ATOM 0 HA LYS A 81 16.456 -4.220 -4.005 1.00 2.30 H new ATOM 0 HB2 LYS A 81 17.354 -2.724 -2.251 1.00 2.45 H new ATOM 0 HB3 LYS A 81 16.940 -1.833 -3.703 1.00 2.45 H new ATOM 0 HG2 LYS A 81 14.759 -1.185 -2.634 1.00 2.98 H new ATOM 0 HG3 LYS A 81 15.272 -1.994 -1.166 1.00 2.98 H new ATOM 0 HD2 LYS A 81 17.285 -0.485 -1.084 1.00 3.54 H new ATOM 0 HD3 LYS A 81 16.675 0.360 -2.493 1.00 3.54 H new ATOM 0 HE2 LYS A 81 15.764 0.478 0.329 1.00 4.27 H new ATOM 0 HE3 LYS A 81 15.726 1.716 -0.911 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 13.501 1.101 -0.364 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 13.821 0.522 -1.927 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 13.820 -0.549 -0.609 1.00 4.40 H new ATOM 1160 N GLU A 82 14.130 -4.097 -1.681 1.00 2.24 N ATOM 1161 CA GLU A 82 13.551 -4.828 -0.558 1.00 2.14 C ATOM 1162 C GLU A 82 13.449 -6.321 -0.867 1.00 1.94 C ATOM 1163 O GLU A 82 13.908 -7.154 -0.089 1.00 1.76 O ATOM 1164 CB GLU A 82 12.171 -4.263 -0.200 1.00 2.37 C ATOM 1165 CG GLU A 82 11.395 -3.722 -1.394 1.00 2.74 C ATOM 1166 CD GLU A 82 11.512 -2.215 -1.539 1.00 2.68 C ATOM 1167 OE1 GLU A 82 12.522 -1.748 -2.105 1.00 2.89 O ATOM 1168 OE2 GLU A 82 10.595 -1.501 -1.084 1.00 3.00 O ATOM 0 H GLU A 82 13.582 -3.293 -1.987 1.00 2.24 H new ATOM 0 HA GLU A 82 14.213 -4.703 0.299 1.00 2.14 H new ATOM 0 HB2 GLU A 82 11.582 -5.046 0.279 1.00 2.37 H new ATOM 0 HB3 GLU A 82 12.295 -3.465 0.532 1.00 2.37 H new ATOM 0 HG2 GLU A 82 11.759 -4.199 -2.304 1.00 2.74 H new ATOM 0 HG3 GLU A 82 10.344 -3.992 -1.291 1.00 2.74 H new ATOM 1175 N GLU A 83 12.851 -6.652 -2.009 1.00 2.03 N ATOM 1176 CA GLU A 83 12.702 -8.048 -2.412 1.00 1.94 C ATOM 1177 C GLU A 83 14.049 -8.760 -2.365 1.00 1.73 C ATOM 1178 O GLU A 83 14.189 -9.807 -1.733 1.00 1.57 O ATOM 1179 CB GLU A 83 12.105 -8.140 -3.822 1.00 2.17 C ATOM 1180 CG GLU A 83 12.091 -9.551 -4.398 1.00 2.39 C ATOM 1181 CD GLU A 83 13.431 -9.964 -4.982 1.00 2.51 C ATOM 1182 OE1 GLU A 83 13.870 -9.334 -5.967 1.00 2.93 O ATOM 1183 OE2 GLU A 83 14.043 -10.919 -4.457 1.00 2.94 O ATOM 0 H GLU A 83 12.464 -5.977 -2.668 1.00 2.03 H new ATOM 0 HA GLU A 83 12.022 -8.537 -1.714 1.00 1.94 H new ATOM 0 HB2 GLU A 83 11.084 -7.758 -3.799 1.00 2.17 H new ATOM 0 HB3 GLU A 83 12.673 -7.492 -4.489 1.00 2.17 H new ATOM 0 HG2 GLU A 83 11.809 -10.255 -3.615 1.00 2.39 H new ATOM 0 HG3 GLU A 83 11.327 -9.614 -5.173 1.00 2.39 H new ATOM 1190 N ILE A 84 15.037 -8.182 -3.039 1.00 1.75 N ATOM 1191 CA ILE A 84 16.375 -8.756 -3.075 1.00 1.60 C ATOM 1192 C ILE A 84 16.908 -8.980 -1.663 1.00 1.38 C ATOM 1193 O ILE A 84 17.417 -10.055 -1.346 1.00 1.22 O ATOM 1194 CB ILE A 84 17.356 -7.857 -3.859 1.00 1.73 C ATOM 1195 CG1 ILE A 84 16.890 -7.696 -5.310 1.00 2.03 C ATOM 1196 CG2 ILE A 84 18.766 -8.432 -3.815 1.00 1.57 C ATOM 1197 CD1 ILE A 84 17.402 -6.435 -5.971 1.00 2.47 C ATOM 0 H ILE A 84 14.935 -7.316 -3.568 1.00 1.75 H new ATOM 0 HA ILE A 84 16.299 -9.715 -3.587 1.00 1.60 H new ATOM 0 HB ILE A 84 17.372 -6.875 -3.387 1.00 1.73 H new ATOM 0 HG12 ILE A 84 17.220 -8.559 -5.887 1.00 2.03 H new ATOM 0 HG13 ILE A 84 15.800 -7.694 -5.335 1.00 2.03 H new ATOM 0 HG21 ILE A 84 19.441 -7.783 -4.373 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.100 -8.498 -2.779 1.00 1.57 H new ATOM 0 HG23 ILE A 84 18.767 -9.427 -4.261 1.00 1.57 H new ATOM 0 HD11 ILE A 84 17.034 -6.386 -6.996 1.00 2.47 H new ATOM 0 HD12 ILE A 84 17.050 -5.565 -5.417 1.00 2.47 H new ATOM 0 HD13 ILE A 84 18.492 -6.444 -5.977 1.00 2.47 H new ATOM 1209 N GLN A 85 16.785 -7.961 -0.815 1.00 1.45 N ATOM 1210 CA GLN A 85 17.254 -8.057 0.563 1.00 1.35 C ATOM 1211 C GLN A 85 16.639 -9.275 1.248 1.00 1.19 C ATOM 1212 O GLN A 85 17.332 -10.022 1.937 1.00 1.05 O ATOM 1213 CB GLN A 85 16.934 -6.765 1.336 1.00 1.56 C ATOM 1214 CG GLN A 85 15.796 -6.887 2.344 1.00 1.77 C ATOM 1215 CD GLN A 85 16.183 -7.667 3.586 1.00 2.36 C ATOM 1216 OE1 GLN A 85 15.238 -8.429 4.124 1.00 2.80 O flip ATOM 1217 NE2 GLN A 85 17.318 -7.587 4.057 1.00 3.13 N flip ATOM 0 H GLN A 85 16.366 -7.063 -1.058 1.00 1.45 H new ATOM 0 HA GLN A 85 18.337 -8.182 0.556 1.00 1.35 H new ATOM 0 HB2 GLN A 85 17.832 -6.441 1.861 1.00 1.56 H new ATOM 0 HB3 GLN A 85 16.684 -5.982 0.620 1.00 1.56 H new ATOM 0 HG2 GLN A 85 15.469 -5.889 2.636 1.00 1.77 H new ATOM 0 HG3 GLN A 85 14.946 -7.374 1.866 1.00 1.77 H new ATOM 0 HE21 GLN A 85 18.014 -6.989 3.612 1.00 3.13 H new ATOM 0 HE22 GLN A 85 17.562 -8.119 4.893 1.00 3.13 H new ATOM 1226 N GLN A 86 15.339 -9.476 1.046 1.00 1.26 N ATOM 1227 CA GLN A 86 14.647 -10.615 1.636 1.00 1.18 C ATOM 1228 C GLN A 86 15.271 -11.916 1.145 1.00 1.03 C ATOM 1229 O GLN A 86 15.591 -12.801 1.938 1.00 0.90 O ATOM 1230 CB GLN A 86 13.154 -10.579 1.290 1.00 1.37 C ATOM 1231 CG GLN A 86 12.249 -10.945 2.457 1.00 1.47 C ATOM 1232 CD GLN A 86 12.358 -9.972 3.617 1.00 2.31 C ATOM 1233 OE1 GLN A 86 12.153 -8.690 3.337 1.00 2.90 O flip ATOM 1234 NE2 GLN A 86 12.621 -10.367 4.752 1.00 3.09 N flip ATOM 0 H GLN A 86 14.747 -8.867 0.481 1.00 1.26 H new ATOM 0 HA GLN A 86 14.749 -10.560 2.720 1.00 1.18 H new ATOM 0 HB2 GLN A 86 12.895 -9.580 0.940 1.00 1.37 H new ATOM 0 HB3 GLN A 86 12.964 -11.265 0.465 1.00 1.37 H new ATOM 0 HG2 GLN A 86 11.215 -10.977 2.112 1.00 1.47 H new ATOM 0 HG3 GLN A 86 12.500 -11.947 2.805 1.00 1.47 H new ATOM 0 HE21 GLN A 86 12.771 -11.361 4.924 1.00 3.09 H new ATOM 0 HE22 GLN A 86 12.689 -9.700 5.521 1.00 3.09 H new ATOM 1243 N ARG A 87 15.450 -12.017 -0.170 1.00 1.11 N ATOM 1244 CA ARG A 87 16.045 -13.205 -0.779 1.00 1.09 C ATOM 1245 C ARG A 87 17.432 -13.466 -0.197 1.00 0.91 C ATOM 1246 O ARG A 87 17.745 -14.580 0.223 1.00 0.87 O ATOM 1247 CB ARG A 87 16.134 -13.037 -2.300 1.00 1.29 C ATOM 1248 CG ARG A 87 16.363 -14.342 -3.050 1.00 1.78 C ATOM 1249 CD ARG A 87 16.784 -14.102 -4.495 1.00 2.22 C ATOM 1250 NE ARG A 87 16.210 -12.874 -5.047 1.00 2.81 N ATOM 1251 CZ ARG A 87 16.512 -12.391 -6.251 1.00 3.73 C ATOM 1252 NH1 ARG A 87 17.367 -13.039 -7.029 1.00 4.21 N ATOM 1253 NH2 ARG A 87 15.966 -11.259 -6.673 1.00 4.43 N ATOM 0 H ARG A 87 15.191 -11.289 -0.836 1.00 1.11 H new ATOM 0 HA ARG A 87 15.408 -14.061 -0.558 1.00 1.09 H new ATOM 0 HB2 ARG A 87 15.213 -12.579 -2.660 1.00 1.29 H new ATOM 0 HB3 ARG A 87 16.945 -12.348 -2.533 1.00 1.29 H new ATOM 0 HG2 ARG A 87 17.131 -14.924 -2.540 1.00 1.78 H new ATOM 0 HG3 ARG A 87 15.449 -14.936 -3.032 1.00 1.78 H new ATOM 0 HD2 ARG A 87 17.871 -14.048 -4.550 1.00 2.22 H new ATOM 0 HD3 ARG A 87 16.476 -14.950 -5.106 1.00 2.22 H new ATOM 0 HE ARG A 87 15.540 -12.358 -4.477 1.00 2.81 H new ATOM 0 HH11 ARG A 87 17.794 -13.907 -6.706 1.00 4.21 H new ATOM 0 HH12 ARG A 87 17.599 -12.669 -7.951 1.00 4.21 H new ATOM 0 HH21 ARG A 87 15.312 -10.754 -6.075 1.00 4.43 H new ATOM 0 HH22 ARG A 87 16.200 -10.893 -7.596 1.00 4.43 H new ATOM 1267 N LEU A 88 18.263 -12.428 -0.177 1.00 0.87 N ATOM 1268 CA LEU A 88 19.613 -12.540 0.358 1.00 0.78 C ATOM 1269 C LEU A 88 19.566 -13.001 1.810 1.00 0.71 C ATOM 1270 O LEU A 88 20.366 -13.833 2.235 1.00 0.67 O ATOM 1271 CB LEU A 88 20.337 -11.196 0.256 1.00 0.86 C ATOM 1272 CG LEU A 88 21.862 -11.263 0.400 1.00 1.04 C ATOM 1273 CD1 LEU A 88 22.527 -10.208 -0.473 1.00 1.90 C ATOM 1274 CD2 LEU A 88 22.273 -11.090 1.857 1.00 1.15 C ATOM 0 H LEU A 88 18.023 -11.500 -0.526 1.00 0.87 H new ATOM 0 HA LEU A 88 20.161 -13.278 -0.228 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.099 -10.745 -0.707 1.00 0.86 H new ATOM 0 HB3 LEU A 88 19.944 -10.531 1.025 1.00 0.86 H new ATOM 0 HG LEU A 88 22.195 -12.246 0.066 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.609 -10.270 -0.358 1.00 1.90 H new ATOM 0 HD12 LEU A 88 22.262 -10.380 -1.516 1.00 1.90 H new ATOM 0 HD13 LEU A 88 22.186 -9.218 -0.170 1.00 1.90 H new ATOM 0 HD21 LEU A 88 23.359 -11.141 1.937 1.00 1.15 H new ATOM 0 HD22 LEU A 88 21.927 -10.122 2.220 1.00 1.15 H new ATOM 0 HD23 LEU A 88 21.827 -11.883 2.457 1.00 1.15 H new ATOM 1286 N ALA A 89 18.611 -12.460 2.562 1.00 0.77 N ATOM 1287 CA ALA A 89 18.445 -12.816 3.964 1.00 0.81 C ATOM 1288 C ALA A 89 18.273 -14.323 4.121 1.00 0.74 C ATOM 1289 O ALA A 89 18.737 -14.910 5.099 1.00 0.77 O ATOM 1290 CB ALA A 89 17.257 -12.075 4.560 1.00 0.97 C ATOM 0 H ALA A 89 17.940 -11.772 2.221 1.00 0.77 H new ATOM 0 HA ALA A 89 19.344 -12.520 4.504 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.145 -12.351 5.609 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.423 -11.000 4.483 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.351 -12.342 4.016 1.00 0.97 H new ATOM 1296 N GLN A 90 17.616 -14.948 3.143 1.00 0.73 N ATOM 1297 CA GLN A 90 17.402 -16.392 3.175 1.00 0.79 C ATOM 1298 C GLN A 90 18.735 -17.114 3.027 1.00 0.73 C ATOM 1299 O GLN A 90 19.028 -18.062 3.756 1.00 0.79 O ATOM 1300 CB GLN A 90 16.435 -16.830 2.071 1.00 0.90 C ATOM 1301 CG GLN A 90 15.079 -16.139 2.134 1.00 1.35 C ATOM 1302 CD GLN A 90 14.158 -16.758 3.169 1.00 1.96 C ATOM 1303 OE1 GLN A 90 13.628 -17.851 2.970 1.00 2.38 O ATOM 1304 NE2 GLN A 90 13.967 -16.062 4.284 1.00 2.72 N ATOM 0 H GLN A 90 17.226 -14.479 2.325 1.00 0.73 H new ATOM 0 HA GLN A 90 16.956 -16.654 4.135 1.00 0.79 H new ATOM 0 HB2 GLN A 90 16.890 -16.629 1.101 1.00 0.90 H new ATOM 0 HB3 GLN A 90 16.287 -17.908 2.137 1.00 0.90 H new ATOM 0 HG2 GLN A 90 15.223 -15.084 2.366 1.00 1.35 H new ATOM 0 HG3 GLN A 90 14.604 -16.188 1.154 1.00 1.35 H new ATOM 0 HE21 GLN A 90 14.427 -15.160 4.407 1.00 2.72 H new ATOM 0 HE22 GLN A 90 13.361 -16.430 5.017 1.00 2.72 H new ATOM 1313 N PHE A 91 19.549 -16.655 2.078 1.00 0.66 N ATOM 1314 CA PHE A 91 20.857 -17.254 1.843 1.00 0.67 C ATOM 1315 C PHE A 91 21.643 -17.307 3.149 1.00 0.67 C ATOM 1316 O PHE A 91 22.181 -18.351 3.526 1.00 0.74 O ATOM 1317 CB PHE A 91 21.639 -16.458 0.789 1.00 0.65 C ATOM 1318 CG PHE A 91 23.036 -16.962 0.582 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.054 -16.560 1.424 1.00 1.03 C ATOM 1320 CD2 PHE A 91 23.335 -17.826 -0.461 1.00 0.93 C ATOM 1321 CE1 PHE A 91 25.340 -17.010 1.235 1.00 1.19 C ATOM 1322 CE2 PHE A 91 24.624 -18.277 -0.653 1.00 0.92 C ATOM 1323 CZ PHE A 91 25.610 -17.918 0.195 1.00 0.90 C ATOM 0 H PHE A 91 19.325 -15.873 1.463 1.00 0.66 H new ATOM 0 HA PHE A 91 20.713 -18.267 1.468 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.102 -16.497 -0.159 1.00 0.65 H new ATOM 0 HB3 PHE A 91 21.679 -15.411 1.090 1.00 0.65 H new ATOM 0 HD1 PHE A 91 23.838 -15.885 2.239 1.00 1.03 H new ATOM 0 HD2 PHE A 91 22.551 -18.149 -1.129 1.00 0.93 H new ATOM 0 HE1 PHE A 91 26.136 -16.669 1.880 1.00 1.19 H new ATOM 0 HE2 PHE A 91 24.846 -18.923 -1.489 1.00 0.92 H new ATOM 0 HZ PHE A 91 26.603 -18.326 0.076 1.00 0.90 H new ATOM 1333 N VAL A 92 21.691 -16.174 3.848 1.00 0.64 N ATOM 1334 CA VAL A 92 22.401 -16.094 5.118 1.00 0.72 C ATOM 1335 C VAL A 92 21.873 -17.144 6.086 1.00 0.77 C ATOM 1336 O VAL A 92 22.642 -17.908 6.662 1.00 0.86 O ATOM 1337 CB VAL A 92 22.281 -14.698 5.768 1.00 0.77 C ATOM 1338 CG1 VAL A 92 23.512 -14.394 6.611 1.00 0.86 C ATOM 1339 CG2 VAL A 92 22.073 -13.623 4.709 1.00 1.37 C ATOM 0 H VAL A 92 21.248 -15.303 3.556 1.00 0.64 H new ATOM 0 HA VAL A 92 23.454 -16.278 4.904 1.00 0.72 H new ATOM 0 HB VAL A 92 21.409 -14.700 6.422 1.00 0.77 H new ATOM 0 HG11 VAL A 92 23.410 -13.407 7.061 1.00 0.86 H new ATOM 0 HG12 VAL A 92 23.609 -15.143 7.397 1.00 0.86 H new ATOM 0 HG13 VAL A 92 24.400 -14.415 5.979 1.00 0.86 H new ATOM 0 HG21 VAL A 92 21.991 -12.649 5.191 1.00 1.37 H new ATOM 0 HG22 VAL A 92 22.920 -13.619 4.023 1.00 1.37 H new ATOM 0 HG23 VAL A 92 21.158 -13.831 4.154 1.00 1.37 H new ATOM 1349 N ASP A 93 20.551 -17.194 6.241 1.00 0.77 N ATOM 1350 CA ASP A 93 19.929 -18.174 7.127 1.00 0.86 C ATOM 1351 C ASP A 93 20.427 -19.573 6.784 1.00 0.91 C ATOM 1352 O ASP A 93 20.842 -20.332 7.660 1.00 1.00 O ATOM 1353 CB ASP A 93 18.401 -18.113 7.021 1.00 0.90 C ATOM 1354 CG ASP A 93 17.726 -19.299 7.687 1.00 1.10 C ATOM 1355 OD1 ASP A 93 17.989 -19.537 8.886 1.00 1.55 O ATOM 1356 OD2 ASP A 93 16.939 -19.992 7.010 1.00 1.71 O ATOM 0 H ASP A 93 19.895 -16.572 5.768 1.00 0.77 H new ATOM 0 HA ASP A 93 20.207 -17.938 8.154 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.044 -17.191 7.480 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.114 -18.078 5.970 1.00 0.90 H new ATOM 1361 N HIS A 94 20.409 -19.900 5.496 1.00 0.89 N ATOM 1362 CA HIS A 94 20.875 -21.202 5.037 1.00 0.98 C ATOM 1363 C HIS A 94 22.272 -21.476 5.581 1.00 1.00 C ATOM 1364 O HIS A 94 22.487 -22.451 6.299 1.00 1.12 O ATOM 1365 CB HIS A 94 20.886 -21.256 3.506 1.00 1.00 C ATOM 1366 CG HIS A 94 20.632 -22.623 2.941 1.00 1.35 C ATOM 1367 ND1 HIS A 94 20.613 -22.906 1.593 1.00 2.17 N ATOM 1368 CD2 HIS A 94 20.381 -23.800 3.571 1.00 1.73 C ATOM 1369 CE1 HIS A 94 20.355 -24.212 1.449 1.00 2.46 C ATOM 1370 NE2 HIS A 94 20.208 -24.801 2.619 1.00 2.14 N ATOM 0 H HIS A 94 20.078 -19.283 4.754 1.00 0.89 H new ATOM 0 HA HIS A 94 20.193 -21.968 5.407 1.00 0.98 H new ATOM 0 HB2 HIS A 94 20.131 -20.570 3.123 1.00 1.00 H new ATOM 0 HB3 HIS A 94 21.852 -20.900 3.147 1.00 1.00 H new ATOM 0 HD1 HIS A 94 20.768 -22.238 0.838 1.00 2.17 H new ATOM 0 HD2 HIS A 94 20.325 -23.937 4.641 1.00 1.73 H new ATOM 0 HE1 HIS A 94 20.277 -24.717 0.498 1.00 2.46 H new ATOM 1378 N TRP A 95 23.217 -20.594 5.256 1.00 0.93 N ATOM 1379 CA TRP A 95 24.588 -20.739 5.731 1.00 1.00 C ATOM 1380 C TRP A 95 24.615 -20.844 7.253 1.00 1.06 C ATOM 1381 O TRP A 95 25.342 -21.659 7.812 1.00 1.16 O ATOM 1382 CB TRP A 95 25.448 -19.562 5.268 1.00 0.97 C ATOM 1383 CG TRP A 95 26.920 -19.777 5.478 1.00 1.09 C ATOM 1384 CD1 TRP A 95 27.628 -20.917 5.225 1.00 2.01 C ATOM 1385 CD2 TRP A 95 27.862 -18.825 5.984 1.00 1.04 C ATOM 1386 NE1 TRP A 95 28.951 -20.728 5.546 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.118 -19.452 6.010 1.00 1.04 C ATOM 1388 CE3 TRP A 95 27.764 -17.501 6.415 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 30.267 -18.800 6.450 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 28.902 -16.854 6.853 1.00 2.64 C ATOM 1391 CH2 TRP A 95 30.141 -17.503 6.867 1.00 2.05 C ATOM 0 H TRP A 95 23.057 -19.776 4.668 1.00 0.93 H new ATOM 0 HA TRP A 95 25.000 -21.655 5.308 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.263 -19.381 4.209 1.00 0.97 H new ATOM 0 HB3 TRP A 95 25.140 -18.664 5.804 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.210 -21.832 4.831 1.00 2.01 H new ATOM 0 HE1 TRP A 95 29.689 -21.426 5.453 1.00 1.88 H new ATOM 0 HE3 TRP A 95 26.812 -16.991 6.406 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.224 -19.300 6.462 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 28.835 -15.830 7.190 1.00 2.64 H new ATOM 0 HH2 TRP A 95 31.014 -16.970 7.213 1.00 2.05 H new ATOM 1402 N LYS A 96 23.806 -20.020 7.915 1.00 1.03 N ATOM 1403 CA LYS A 96 23.723 -20.034 9.374 1.00 1.12 C ATOM 1404 C LYS A 96 23.491 -21.458 9.869 1.00 1.21 C ATOM 1405 O LYS A 96 24.178 -21.934 10.774 1.00 1.32 O ATOM 1406 CB LYS A 96 22.598 -19.107 9.857 1.00 1.12 C ATOM 1407 CG LYS A 96 22.391 -19.112 11.367 1.00 1.49 C ATOM 1408 CD LYS A 96 20.937 -19.381 11.738 1.00 1.83 C ATOM 1409 CE LYS A 96 20.584 -20.859 11.621 1.00 2.36 C ATOM 1410 NZ LYS A 96 19.896 -21.173 10.337 1.00 2.86 N ATOM 0 H LYS A 96 23.199 -19.335 7.465 1.00 1.03 H new ATOM 0 HA LYS A 96 24.665 -19.669 9.783 1.00 1.12 H new ATOM 0 HB2 LYS A 96 22.817 -18.089 9.535 1.00 1.12 H new ATOM 0 HB3 LYS A 96 21.667 -19.401 9.373 1.00 1.12 H new ATOM 0 HG2 LYS A 96 23.028 -19.872 11.819 1.00 1.49 H new ATOM 0 HG3 LYS A 96 22.700 -18.151 11.779 1.00 1.49 H new ATOM 0 HD2 LYS A 96 20.755 -19.044 12.758 1.00 1.83 H new ATOM 0 HD3 LYS A 96 20.283 -18.799 11.088 1.00 1.83 H new ATOM 0 HE2 LYS A 96 21.493 -21.455 11.700 1.00 2.36 H new ATOM 0 HE3 LYS A 96 19.942 -21.145 12.455 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 19.467 -22.119 10.395 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 19.154 -20.466 10.159 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 20.586 -21.154 9.559 1.00 2.86 H new ATOM 1424 N GLU A 97 22.527 -22.143 9.258 1.00 1.20 N ATOM 1425 CA GLU A 97 22.226 -23.517 9.631 1.00 1.32 C ATOM 1426 C GLU A 97 23.413 -24.415 9.285 1.00 1.36 C ATOM 1427 O GLU A 97 23.771 -25.317 10.045 1.00 1.47 O ATOM 1428 CB GLU A 97 20.954 -23.997 8.919 1.00 1.36 C ATOM 1429 CG GLU A 97 20.892 -25.503 8.708 1.00 1.86 C ATOM 1430 CD GLU A 97 20.241 -26.223 9.871 1.00 2.35 C ATOM 1431 OE1 GLU A 97 20.758 -26.110 11.001 1.00 3.03 O ATOM 1432 OE2 GLU A 97 19.215 -26.900 9.653 1.00 2.68 O ATOM 0 H GLU A 97 21.946 -21.769 8.508 1.00 1.20 H new ATOM 0 HA GLU A 97 22.050 -23.567 10.706 1.00 1.32 H new ATOM 0 HB2 GLU A 97 20.086 -23.686 9.500 1.00 1.36 H new ATOM 0 HB3 GLU A 97 20.883 -23.502 7.951 1.00 1.36 H new ATOM 0 HG2 GLU A 97 20.336 -25.717 7.795 1.00 1.86 H new ATOM 0 HG3 GLU A 97 21.901 -25.889 8.564 1.00 1.86 H new ATOM 1439 N LEU A 98 24.025 -24.152 8.131 1.00 1.31 N ATOM 1440 CA LEU A 98 25.178 -24.924 7.687 1.00 1.37 C ATOM 1441 C LEU A 98 26.278 -24.879 8.740 1.00 1.42 C ATOM 1442 O LEU A 98 26.899 -25.895 9.047 1.00 1.54 O ATOM 1443 CB LEU A 98 25.704 -24.393 6.349 1.00 1.31 C ATOM 1444 CG LEU A 98 26.680 -25.326 5.624 1.00 1.61 C ATOM 1445 CD1 LEU A 98 26.467 -25.259 4.118 1.00 2.38 C ATOM 1446 CD2 LEU A 98 28.120 -24.981 5.981 1.00 2.07 C ATOM 0 H LEU A 98 23.740 -23.411 7.490 1.00 1.31 H new ATOM 0 HA LEU A 98 24.865 -25.959 7.547 1.00 1.37 H new ATOM 0 HB2 LEU A 98 24.856 -24.198 5.693 1.00 1.31 H new ATOM 0 HB3 LEU A 98 26.199 -23.437 6.523 1.00 1.31 H new ATOM 0 HG LEU A 98 26.484 -26.347 5.951 1.00 1.61 H new ATOM 0 HD11 LEU A 98 27.169 -25.928 3.621 1.00 2.38 H new ATOM 0 HD12 LEU A 98 25.447 -25.562 3.881 1.00 2.38 H new ATOM 0 HD13 LEU A 98 26.632 -24.239 3.772 1.00 2.38 H new ATOM 0 HD21 LEU A 98 28.797 -25.655 5.456 1.00 2.07 H new ATOM 0 HD22 LEU A 98 28.331 -23.953 5.687 1.00 2.07 H new ATOM 0 HD23 LEU A 98 28.264 -25.088 7.056 1.00 2.07 H new ATOM 1458 N LYS A 99 26.499 -23.693 9.305 1.00 1.38 N ATOM 1459 CA LYS A 99 27.511 -23.520 10.341 1.00 1.47 C ATOM 1460 C LYS A 99 27.240 -24.498 11.476 1.00 1.60 C ATOM 1461 O LYS A 99 28.100 -25.298 11.840 1.00 1.74 O ATOM 1462 CB LYS A 99 27.508 -22.079 10.867 1.00 1.45 C ATOM 1463 CG LYS A 99 27.961 -21.948 12.317 1.00 1.90 C ATOM 1464 CD LYS A 99 27.906 -20.504 12.795 1.00 2.41 C ATOM 1465 CE LYS A 99 26.563 -20.172 13.430 1.00 3.14 C ATOM 1466 NZ LYS A 99 26.405 -20.812 14.766 1.00 4.07 N ATOM 0 H LYS A 99 25.992 -22.842 9.063 1.00 1.38 H new ATOM 0 HA LYS A 99 28.494 -23.721 9.916 1.00 1.47 H new ATOM 0 HB2 LYS A 99 28.158 -21.472 10.237 1.00 1.45 H new ATOM 0 HB3 LYS A 99 26.502 -21.671 10.773 1.00 1.45 H new ATOM 0 HG2 LYS A 99 27.328 -22.566 12.953 1.00 1.90 H new ATOM 0 HG3 LYS A 99 28.979 -22.326 12.416 1.00 1.90 H new ATOM 0 HD2 LYS A 99 28.703 -20.329 13.517 1.00 2.41 H new ATOM 0 HD3 LYS A 99 28.086 -19.835 11.954 1.00 2.41 H new ATOM 0 HE2 LYS A 99 26.467 -19.091 13.532 1.00 3.14 H new ATOM 0 HE3 LYS A 99 25.759 -20.502 12.772 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 25.621 -20.359 15.278 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 26.199 -21.824 14.644 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 27.284 -20.701 15.310 1.00 4.07 H new ATOM 1480 N GLN A 100 26.026 -24.435 12.020 1.00 1.58 N ATOM 1481 CA GLN A 100 25.629 -25.329 13.100 1.00 1.72 C ATOM 1482 C GLN A 100 25.962 -26.771 12.728 1.00 1.81 C ATOM 1483 O GLN A 100 26.634 -27.477 13.478 1.00 1.95 O ATOM 1484 CB GLN A 100 24.131 -25.188 13.393 1.00 1.71 C ATOM 1485 CG GLN A 100 23.662 -25.998 14.594 1.00 1.93 C ATOM 1486 CD GLN A 100 22.898 -27.244 14.191 1.00 2.66 C ATOM 1487 OE1 GLN A 100 23.623 -28.328 13.943 1.00 3.23 O flip ATOM 1488 NE2 GLN A 100 21.671 -27.231 14.102 1.00 3.33 N flip ATOM 0 H GLN A 100 25.304 -23.775 11.730 1.00 1.58 H new ATOM 0 HA GLN A 100 26.181 -25.058 14.000 1.00 1.72 H new ATOM 0 HB2 GLN A 100 23.901 -24.136 13.563 1.00 1.71 H new ATOM 0 HB3 GLN A 100 23.567 -25.499 12.514 1.00 1.71 H new ATOM 0 HG2 GLN A 100 24.525 -26.284 15.195 1.00 1.93 H new ATOM 0 HG3 GLN A 100 23.027 -25.374 15.224 1.00 1.93 H new ATOM 0 HE21 GLN A 100 21.154 -26.375 14.302 1.00 3.33 H new ATOM 0 HE22 GLN A 100 21.171 -28.077 13.828 1.00 3.33 H new ATOM 1497 N LEU A 101 25.499 -27.196 11.551 1.00 1.77 N ATOM 1498 CA LEU A 101 25.767 -28.547 11.067 1.00 1.89 C ATOM 1499 C LEU A 101 27.259 -28.861 11.171 1.00 1.96 C ATOM 1500 O LEU A 101 27.653 -29.894 11.713 1.00 2.12 O ATOM 1501 CB LEU A 101 25.295 -28.699 9.616 1.00 1.86 C ATOM 1502 CG LEU A 101 24.128 -29.673 9.414 1.00 2.09 C ATOM 1503 CD1 LEU A 101 22.851 -29.112 10.023 1.00 2.56 C ATOM 1504 CD2 LEU A 101 23.929 -29.972 7.934 1.00 2.59 C ATOM 0 H LEU A 101 24.939 -26.625 10.919 1.00 1.77 H new ATOM 0 HA LEU A 101 25.216 -29.253 11.688 1.00 1.89 H new ATOM 0 HB2 LEU A 101 25.000 -27.719 9.241 1.00 1.86 H new ATOM 0 HB3 LEU A 101 26.137 -29.033 9.009 1.00 1.86 H new ATOM 0 HG LEU A 101 24.369 -30.606 9.923 1.00 2.09 H new ATOM 0 HD11 LEU A 101 22.034 -29.817 9.870 1.00 2.56 H new ATOM 0 HD12 LEU A 101 22.997 -28.953 11.091 1.00 2.56 H new ATOM 0 HD13 LEU A 101 22.606 -28.164 9.545 1.00 2.56 H new ATOM 0 HD21 LEU A 101 23.097 -30.665 7.812 1.00 2.59 H new ATOM 0 HD22 LEU A 101 23.712 -29.046 7.402 1.00 2.59 H new ATOM 0 HD23 LEU A 101 24.836 -30.420 7.528 1.00 2.59 H new ATOM 1516 N ALA A 102 28.086 -27.952 10.654 1.00 1.86 N ATOM 1517 CA ALA A 102 29.535 -28.122 10.699 1.00 1.95 C ATOM 1518 C ALA A 102 30.001 -28.345 12.133 1.00 2.09 C ATOM 1519 O ALA A 102 30.829 -29.216 12.403 1.00 2.24 O ATOM 1520 CB ALA A 102 30.232 -26.911 10.094 1.00 1.85 C ATOM 0 H ALA A 102 27.776 -27.093 10.200 1.00 1.86 H new ATOM 0 HA ALA A 102 29.798 -29.001 10.110 1.00 1.95 H new ATOM 0 HB1 ALA A 102 31.312 -27.054 10.136 1.00 1.85 H new ATOM 0 HB2 ALA A 102 29.921 -26.793 9.056 1.00 1.85 H new ATOM 0 HB3 ALA A 102 29.963 -26.017 10.657 1.00 1.85 H new ATOM 1526 N ALA A 103 29.457 -27.551 13.053 1.00 2.07 N ATOM 1527 CA ALA A 103 29.806 -27.670 14.464 1.00 2.24 C ATOM 1528 C ALA A 103 29.540 -29.088 14.949 1.00 2.38 C ATOM 1529 O ALA A 103 30.370 -29.693 15.628 1.00 2.56 O ATOM 1530 CB ALA A 103 29.025 -26.660 15.294 1.00 2.21 C ATOM 0 H ALA A 103 28.775 -26.821 12.846 1.00 2.07 H new ATOM 0 HA ALA A 103 30.868 -27.456 14.583 1.00 2.24 H new ATOM 0 HB1 ALA A 103 29.298 -26.763 16.344 1.00 2.21 H new ATOM 0 HB2 ALA A 103 29.260 -25.651 14.955 1.00 2.21 H new ATOM 0 HB3 ALA A 103 27.957 -26.842 15.177 1.00 2.21 H new ATOM 1536 N ALA A 104 28.374 -29.620 14.581 1.00 2.34 N ATOM 1537 CA ALA A 104 27.997 -30.977 14.960 1.00 2.50 C ATOM 1538 C ALA A 104 29.083 -31.959 14.543 1.00 2.58 C ATOM 1539 O ALA A 104 29.523 -32.792 15.338 1.00 2.74 O ATOM 1540 CB ALA A 104 26.665 -31.354 14.329 1.00 2.48 C ATOM 0 H ALA A 104 27.676 -29.130 14.021 1.00 2.34 H new ATOM 0 HA ALA A 104 27.887 -31.020 16.044 1.00 2.50 H new ATOM 0 HB1 ALA A 104 26.398 -32.369 14.622 1.00 2.48 H new ATOM 0 HB2 ALA A 104 25.893 -30.664 14.669 1.00 2.48 H new ATOM 0 HB3 ALA A 104 26.748 -31.299 13.244 1.00 2.48 H new ATOM 1546 N ARG A 105 29.525 -31.846 13.292 1.00 2.50 N ATOM 1547 CA ARG A 105 30.578 -32.713 12.777 1.00 2.60 C ATOM 1548 C ARG A 105 31.788 -32.639 13.703 1.00 2.72 C ATOM 1549 O ARG A 105 32.360 -33.663 14.077 1.00 2.88 O ATOM 1550 CB ARG A 105 30.945 -32.306 11.336 1.00 2.49 C ATOM 1551 CG ARG A 105 32.422 -32.461 10.975 1.00 2.62 C ATOM 1552 CD ARG A 105 32.639 -33.548 9.931 1.00 2.76 C ATOM 1553 NE ARG A 105 32.144 -34.851 10.374 1.00 3.19 N ATOM 1554 CZ ARG A 105 32.658 -35.535 11.395 1.00 3.86 C ATOM 1555 NH1 ARG A 105 33.673 -35.036 12.085 1.00 4.42 N ATOM 1556 NH2 ARG A 105 32.156 -36.715 11.729 1.00 4.39 N ATOM 0 H ARG A 105 29.171 -31.165 12.620 1.00 2.50 H new ATOM 0 HA ARG A 105 30.227 -33.744 12.748 1.00 2.60 H new ATOM 0 HB2 ARG A 105 30.353 -32.905 10.644 1.00 2.49 H new ATOM 0 HB3 ARG A 105 30.657 -31.266 11.184 1.00 2.49 H new ATOM 0 HG2 ARG A 105 32.805 -31.513 10.597 1.00 2.62 H new ATOM 0 HG3 ARG A 105 32.992 -32.700 11.873 1.00 2.62 H new ATOM 0 HD2 ARG A 105 32.136 -33.266 9.006 1.00 2.76 H new ATOM 0 HD3 ARG A 105 33.703 -33.624 9.705 1.00 2.76 H new ATOM 0 HE ARG A 105 31.357 -35.261 9.871 1.00 3.19 H new ATOM 0 HH11 ARG A 105 34.062 -34.127 11.835 1.00 4.42 H new ATOM 0 HH12 ARG A 105 34.065 -35.561 12.867 1.00 4.42 H new ATOM 0 HH21 ARG A 105 31.373 -37.103 11.204 1.00 4.39 H new ATOM 0 HH22 ARG A 105 32.553 -37.235 12.512 1.00 4.39 H new ATOM 1570 N GLY A 106 32.153 -31.417 14.087 1.00 2.67 N ATOM 1571 CA GLY A 106 33.278 -31.220 14.985 1.00 2.83 C ATOM 1572 C GLY A 106 33.129 -32.021 16.265 1.00 3.06 C ATOM 1573 O GLY A 106 34.109 -32.556 16.788 1.00 3.27 O ATOM 0 H GLY A 106 31.688 -30.559 13.791 1.00 2.67 H new ATOM 0 HA2 GLY A 106 34.200 -31.510 14.481 1.00 2.83 H new ATOM 0 HA3 GLY A 106 33.367 -30.161 15.228 1.00 2.83 H new ATOM 1577 N GLN A 107 31.896 -32.110 16.762 1.00 3.06 N ATOM 1578 CA GLN A 107 31.612 -32.863 17.980 1.00 3.32 C ATOM 1579 C GLN A 107 31.700 -34.357 17.698 1.00 3.48 C ATOM 1580 O GLN A 107 32.090 -35.145 18.562 1.00 3.75 O ATOM 1581 CB GLN A 107 30.224 -32.512 18.526 1.00 3.32 C ATOM 1582 CG GLN A 107 30.039 -31.030 18.818 1.00 3.59 C ATOM 1583 CD GLN A 107 30.959 -30.529 19.914 1.00 3.56 C ATOM 1584 OE1 GLN A 107 31.851 -29.717 19.670 1.00 3.65 O ATOM 1585 NE2 GLN A 107 30.745 -31.011 21.132 1.00 4.07 N ATOM 0 H GLN A 107 31.079 -31.670 16.339 1.00 3.06 H new ATOM 0 HA GLN A 107 32.354 -32.595 18.733 1.00 3.32 H new ATOM 0 HB2 GLN A 107 29.469 -32.829 17.806 1.00 3.32 H new ATOM 0 HB3 GLN A 107 30.049 -33.078 19.441 1.00 3.32 H new ATOM 0 HG2 GLN A 107 30.221 -30.459 17.907 1.00 3.59 H new ATOM 0 HG3 GLN A 107 29.004 -30.847 19.107 1.00 3.59 H new ATOM 0 HE21 GLN A 107 29.994 -31.683 21.290 1.00 4.07 H new ATOM 0 HE22 GLN A 107 31.332 -30.710 21.910 1.00 4.07 H new