USER MOD reduce.3.24.130724 H: found=0, std=0, add=1210, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1210 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 61 HIS : no HD1:sc= -4.22! C(o=-6.2!,f=-11!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -146:sc= -1.97! (180deg=-2.21!) USER MOD Set 2.1: A 4 HIS : no HD1:sc= -0.0802 X(o=-0.11,f=-0.075) USER MOD Set 2.2: A 5 HIS : no HD1:sc= -0.0263 X(o=-0.11,f=-0.075) USER MOD Set 3.1: A 3 HIS : no HE2:sc= -0.216 K(o=-0.2,f=-3.2!) USER MOD Set 3.2: A 6 HIS : no HE2:sc= 0.0115 X(o=-0.2,f=-0.49) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.356 (180deg=-0.395) USER MOD Single : A 2 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.042) USER MOD Single : A 7 HIS : no HD1:sc=-0.00935 X(o=-0.0093,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= -0.0375 (180deg=-0.284) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.0905 K(o=0.09,f=-0.43) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.051 K(o=-0.051,f=-1.3!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.0944 F(o=-2.2!,f=-0.094) USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -1.91! (180deg=-3.22!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -160:sc= -1.51! USER MOD Single : A 55 SER OG : rot -18:sc= 1.23 USER MOD Single : A 56 ASN :FLIP amide:sc= -1.23 F(o=-3!,f=-1.2) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= 0.779 F(o=-0.82,f=0.78) USER MOD Single : A 64 GLN : amide:sc= -0.968 K(o=-0.97,f=-1.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0539 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -124:sc= -0.137 (180deg=-3.04!) USER MOD Single : A 77 SER OG : rot -97:sc= 0.57 USER MOD Single : A 80 CYS SG : rot -67:sc= -5.23! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 98 ASN :FLIP amide:sc= -0.682 F(o=-3.9!,f=-0.68) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.0831 F(o=-0.97,f=-0.083) USER MOD Single : A 102 LYS NZ :NH3+ 171:sc= -1.11 (180deg=-1.39) USER MOD Single : A 105 GLN : amide:sc= -1.99 K(o=-2,f=-5.4!) USER MOD Single : A 107 LYS NZ :NH3+ 158:sc= -2.75 (180deg=-4.23!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc=-0.00208 (180deg=-0.00208) USER MOD Single : A 112 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.0263 X(o=-0.026,f=-0.16) USER MOD Single : A 115 HIS : no HD1:sc= -0.0093 X(o=-0.0093,f=-0.016) USER MOD Single : A 122 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.014) USER MOD Single : A 126 THR OG1 : rot -95:sc= -4.91! USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -179:sc= -3.85! (180deg=-3.91!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot -100:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 144 LYS NZ :NH3+ 168:sc=-0.00975 (180deg=-0.176) USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ -163:sc= -0.041 (180deg=-0.345) USER MOD Single : A 152 LYS NZ :NH3+ 164:sc= -0.0478 (180deg=-0.313) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -65.302 -28.535 27.763 1.00 49.86 N ATOM 2 CA MET A 1 -64.517 -29.790 27.634 1.00 49.83 C ATOM 3 C MET A 1 -63.682 -29.785 26.358 1.00 49.39 C ATOM 4 O MET A 1 -62.678 -30.492 26.259 1.00 49.33 O ATOM 5 CB MET A 1 -65.456 -31.000 27.633 1.00 50.04 C ATOM 6 CG MET A 1 -66.497 -30.958 26.529 1.00 50.55 C ATOM 7 SD MET A 1 -67.521 -32.442 26.483 1.00 50.77 S ATOM 8 CE MET A 1 -68.604 -32.062 25.108 1.00 51.02 C ATOM 0 H1 MET A 1 -65.848 -28.557 28.648 1.00 49.86 H new ATOM 0 H2 MET A 1 -64.655 -27.721 27.775 1.00 49.86 H new ATOM 0 H3 MET A 1 -65.953 -28.448 26.956 1.00 49.86 H new ATOM 0 HA MET A 1 -63.842 -29.856 28.487 1.00 49.83 H new ATOM 0 HB2 MET A 1 -64.864 -31.909 27.529 1.00 50.04 H new ATOM 0 HB3 MET A 1 -65.962 -31.058 28.597 1.00 50.04 H new ATOM 0 HG2 MET A 1 -67.135 -30.085 26.669 1.00 50.55 H new ATOM 0 HG3 MET A 1 -65.997 -30.836 25.568 1.00 50.55 H new ATOM 0 HE1 MET A 1 -69.299 -32.887 24.953 1.00 51.02 H new ATOM 0 HE2 MET A 1 -69.164 -31.153 25.326 1.00 51.02 H new ATOM 0 HE3 MET A 1 -68.009 -31.914 24.206 1.00 51.02 H new ATOM 20 N HIS A 2 -64.102 -28.983 25.386 1.00 49.14 N ATOM 21 CA HIS A 2 -63.394 -28.886 24.113 1.00 48.76 C ATOM 22 C HIS A 2 -62.702 -27.534 23.974 1.00 48.61 C ATOM 23 O HIS A 2 -63.199 -26.518 24.460 1.00 48.62 O ATOM 24 CB HIS A 2 -64.365 -29.096 22.949 1.00 48.61 C ATOM 25 CG HIS A 2 -65.518 -28.140 22.946 1.00 48.88 C ATOM 26 ND1 HIS A 2 -65.564 -27.018 22.146 1.00 48.99 N ATOM 27 CD2 HIS A 2 -66.675 -28.145 23.651 1.00 49.11 C ATOM 28 CE1 HIS A 2 -66.698 -26.375 22.358 1.00 49.28 C ATOM 29 NE2 HIS A 2 -67.390 -27.038 23.265 1.00 49.36 N ATOM 0 H HIS A 2 -64.929 -28.390 25.454 1.00 49.14 H new ATOM 0 HA HIS A 2 -62.633 -29.666 24.090 1.00 48.76 H new ATOM 0 HB2 HIS A 2 -63.820 -28.997 22.010 1.00 48.61 H new ATOM 0 HB3 HIS A 2 -64.750 -30.115 22.988 1.00 48.61 H new ATOM 0 HD2 HIS A 2 -66.978 -28.882 24.380 1.00 49.11 H new ATOM 0 HE1 HIS A 2 -67.007 -25.461 21.872 1.00 49.28 H new ATOM 0 HE2 HIS A 2 -68.308 -26.771 23.622 1.00 49.36 H new ATOM 38 N HIS A 3 -61.550 -27.532 23.310 1.00 48.51 N ATOM 39 CA HIS A 3 -60.788 -26.306 23.103 1.00 48.41 C ATOM 40 C HIS A 3 -60.021 -26.362 21.787 1.00 47.69 C ATOM 41 O HIS A 3 -59.575 -27.428 21.361 1.00 47.71 O ATOM 42 CB HIS A 3 -59.819 -26.080 24.265 1.00 48.65 C ATOM 43 CG HIS A 3 -59.061 -24.791 24.172 1.00 49.23 C ATOM 44 ND1 HIS A 3 -59.534 -23.601 24.685 1.00 49.67 N ATOM 45 CD2 HIS A 3 -57.856 -24.508 23.623 1.00 49.51 C ATOM 46 CE1 HIS A 3 -58.653 -22.645 24.456 1.00 50.18 C ATOM 47 NE2 HIS A 3 -57.626 -23.168 23.813 1.00 50.10 N ATOM 0 H HIS A 3 -61.124 -28.366 22.906 1.00 48.51 H new ATOM 0 HA HIS A 3 -61.489 -25.473 23.059 1.00 48.41 H new ATOM 0 HB2 HIS A 3 -60.377 -26.097 25.201 1.00 48.65 H new ATOM 0 HB3 HIS A 3 -59.110 -26.907 24.302 1.00 48.65 H new ATOM 0 HD1 HIS A 3 -60.425 -23.479 25.166 1.00 49.67 H new ATOM 0 HD2 HIS A 3 -57.198 -25.207 23.128 1.00 49.51 H new ATOM 0 HE1 HIS A 3 -58.755 -21.610 24.746 1.00 50.18 H new ATOM 56 N HIS A 4 -59.870 -25.207 21.146 1.00 47.09 N ATOM 57 CA HIS A 4 -59.159 -25.126 19.876 1.00 46.41 C ATOM 58 C HIS A 4 -58.221 -23.922 19.856 1.00 46.39 C ATOM 59 O HIS A 4 -58.458 -22.929 20.546 1.00 46.85 O ATOM 60 CB HIS A 4 -60.158 -25.034 18.720 1.00 45.73 C ATOM 61 CG HIS A 4 -59.565 -25.349 17.381 1.00 45.44 C ATOM 62 ND1 HIS A 4 -59.916 -24.680 16.226 1.00 45.50 N ATOM 63 CD2 HIS A 4 -58.647 -26.275 17.011 1.00 45.16 C ATOM 64 CE1 HIS A 4 -59.244 -25.183 15.207 1.00 45.26 C ATOM 65 NE2 HIS A 4 -58.468 -26.151 15.657 1.00 45.05 N ATOM 0 H HIS A 4 -60.230 -24.315 21.485 1.00 47.09 H new ATOM 0 HA HIS A 4 -58.560 -26.029 19.759 1.00 46.41 H new ATOM 0 HB2 HIS A 4 -60.984 -25.719 18.911 1.00 45.73 H new ATOM 0 HB3 HIS A 4 -60.577 -24.028 18.694 1.00 45.73 H new ATOM 0 HD2 HIS A 4 -58.149 -26.979 17.661 1.00 45.16 H new ATOM 0 HE1 HIS A 4 -59.317 -24.858 14.180 1.00 45.26 H new ATOM 0 HE2 HIS A 4 -57.837 -26.716 15.089 1.00 45.05 H new ATOM 74 N HIS A 5 -57.156 -24.019 19.063 1.00 45.90 N ATOM 75 CA HIS A 5 -56.176 -22.942 18.952 1.00 45.88 C ATOM 76 C HIS A 5 -55.552 -22.626 20.310 1.00 45.61 C ATOM 77 O HIS A 5 -55.747 -23.360 21.279 1.00 45.58 O ATOM 78 CB HIS A 5 -56.826 -21.683 18.374 1.00 46.02 C ATOM 79 CG HIS A 5 -57.375 -21.865 16.993 1.00 46.32 C ATOM 80 ND1 HIS A 5 -58.664 -21.519 16.643 1.00 46.47 N ATOM 81 CD2 HIS A 5 -56.801 -22.353 15.866 1.00 46.57 C ATOM 82 CE1 HIS A 5 -58.858 -21.783 15.364 1.00 46.78 C ATOM 83 NE2 HIS A 5 -57.743 -22.290 14.870 1.00 46.84 N ATOM 0 H HIS A 5 -56.950 -24.835 18.487 1.00 45.90 H new ATOM 0 HA HIS A 5 -55.387 -23.277 18.278 1.00 45.88 H new ATOM 0 HB2 HIS A 5 -57.631 -21.365 19.036 1.00 46.02 H new ATOM 0 HB3 HIS A 5 -56.090 -20.880 18.359 1.00 46.02 H new ATOM 0 HD2 HIS A 5 -55.791 -22.722 15.770 1.00 46.57 H new ATOM 0 HE1 HIS A 5 -59.773 -21.613 14.815 1.00 46.78 H new ATOM 0 HE2 HIS A 5 -57.604 -22.587 13.904 1.00 46.84 H new ATOM 92 N HIS A 6 -54.795 -21.530 20.365 1.00 45.48 N ATOM 93 CA HIS A 6 -54.140 -21.102 21.600 1.00 45.30 C ATOM 94 C HIS A 6 -53.132 -22.143 22.083 1.00 44.98 C ATOM 95 O HIS A 6 -52.717 -22.125 23.242 1.00 44.86 O ATOM 96 CB HIS A 6 -55.178 -20.832 22.692 1.00 45.32 C ATOM 97 CG HIS A 6 -56.267 -19.896 22.263 1.00 45.57 C ATOM 98 ND1 HIS A 6 -57.583 -20.286 22.126 1.00 45.97 N ATOM 99 CD2 HIS A 6 -56.231 -18.580 21.944 1.00 45.54 C ATOM 100 CE1 HIS A 6 -58.308 -19.252 21.740 1.00 46.17 C ATOM 101 NE2 HIS A 6 -57.513 -18.204 21.622 1.00 45.91 N ATOM 0 H HIS A 6 -54.620 -20.921 19.566 1.00 45.48 H new ATOM 0 HA HIS A 6 -53.601 -20.179 21.386 1.00 45.30 H new ATOM 0 HB2 HIS A 6 -55.623 -21.778 23.001 1.00 45.32 H new ATOM 0 HB3 HIS A 6 -54.675 -20.416 23.565 1.00 45.32 H new ATOM 0 HD1 HIS A 6 -57.940 -21.226 22.296 1.00 45.97 H new ATOM 0 HD2 HIS A 6 -55.358 -17.945 21.943 1.00 45.54 H new ATOM 0 HE1 HIS A 6 -59.372 -19.262 21.552 1.00 46.17 H new ATOM 110 N HIS A 7 -52.736 -23.044 21.187 1.00 44.90 N ATOM 111 CA HIS A 7 -51.773 -24.087 21.527 1.00 44.66 C ATOM 112 C HIS A 7 -50.344 -23.585 21.352 1.00 44.00 C ATOM 113 O HIS A 7 -49.415 -24.098 21.978 1.00 43.85 O ATOM 114 CB HIS A 7 -52.001 -25.327 20.660 1.00 45.10 C ATOM 115 CG HIS A 7 -53.301 -26.020 20.934 1.00 45.54 C ATOM 116 ND1 HIS A 7 -53.484 -26.884 21.994 1.00 45.83 N ATOM 117 CD2 HIS A 7 -54.485 -25.975 20.279 1.00 45.79 C ATOM 118 CE1 HIS A 7 -54.724 -27.340 21.979 1.00 46.25 C ATOM 119 NE2 HIS A 7 -55.351 -26.803 20.949 1.00 46.23 N ATOM 0 H HIS A 7 -53.066 -23.073 20.222 1.00 44.90 H new ATOM 0 HA HIS A 7 -51.920 -24.354 22.573 1.00 44.66 H new ATOM 0 HB2 HIS A 7 -51.968 -25.037 19.610 1.00 45.10 H new ATOM 0 HB3 HIS A 7 -51.183 -26.029 20.823 1.00 45.10 H new ATOM 0 HD2 HIS A 7 -54.707 -25.396 19.395 1.00 45.79 H new ATOM 0 HE1 HIS A 7 -55.151 -28.033 22.688 1.00 46.25 H new ATOM 0 HE2 HIS A 7 -56.323 -26.976 20.692 1.00 46.23 H new ATOM 128 N LYS A 8 -50.176 -22.578 20.497 1.00 43.67 N ATOM 129 CA LYS A 8 -48.862 -21.997 20.232 1.00 43.08 C ATOM 130 C LYS A 8 -47.892 -23.048 19.699 1.00 42.49 C ATOM 131 O LYS A 8 -47.310 -23.816 20.464 1.00 42.51 O ATOM 132 CB LYS A 8 -48.293 -21.352 21.497 1.00 43.05 C ATOM 133 CG LYS A 8 -49.125 -20.188 22.013 1.00 43.50 C ATOM 134 CD LYS A 8 -48.473 -19.521 23.215 1.00 43.68 C ATOM 135 CE LYS A 8 -48.476 -20.431 24.433 1.00 43.82 C ATOM 136 NZ LYS A 8 -47.863 -19.774 25.621 1.00 44.03 N ATOM 0 H LYS A 8 -50.938 -22.146 19.974 1.00 43.67 H new ATOM 0 HA LYS A 8 -48.987 -21.228 19.470 1.00 43.08 H new ATOM 0 HB2 LYS A 8 -48.217 -22.108 22.278 1.00 43.05 H new ATOM 0 HB3 LYS A 8 -47.281 -21.002 21.293 1.00 43.05 H new ATOM 0 HG2 LYS A 8 -49.258 -19.455 21.218 1.00 43.50 H new ATOM 0 HG3 LYS A 8 -50.118 -20.544 22.288 1.00 43.50 H new ATOM 0 HD2 LYS A 8 -47.447 -19.248 22.968 1.00 43.68 H new ATOM 0 HD3 LYS A 8 -49.001 -18.597 23.450 1.00 43.68 H new ATOM 0 HE2 LYS A 8 -49.501 -20.720 24.667 1.00 43.82 H new ATOM 0 HE3 LYS A 8 -47.931 -21.346 24.203 1.00 43.82 H new ATOM 0 HZ1 LYS A 8 -47.885 -20.428 26.429 1.00 44.03 H new ATOM 0 HZ2 LYS A 8 -46.877 -19.521 25.407 1.00 44.03 H new ATOM 0 HZ3 LYS A 8 -48.398 -18.914 25.857 1.00 44.03 H new ATOM 150 N LEU A 9 -47.723 -23.074 18.380 1.00 42.00 N ATOM 151 CA LEU A 9 -46.827 -24.031 17.740 1.00 41.46 C ATOM 152 C LEU A 9 -45.802 -23.316 16.862 1.00 40.65 C ATOM 153 O LEU A 9 -44.631 -23.694 16.825 1.00 40.68 O ATOM 154 CB LEU A 9 -47.633 -25.025 16.900 1.00 41.50 C ATOM 155 CG LEU A 9 -46.803 -25.998 16.060 1.00 42.05 C ATOM 156 CD1 LEU A 9 -46.021 -26.943 16.957 1.00 42.37 C ATOM 157 CD2 LEU A 9 -47.700 -26.777 15.109 1.00 42.05 C ATOM 0 H LEU A 9 -48.196 -22.442 17.733 1.00 42.00 H new ATOM 0 HA LEU A 9 -46.292 -24.572 18.520 1.00 41.46 H new ATOM 0 HB2 LEU A 9 -48.274 -25.602 17.566 1.00 41.50 H new ATOM 0 HB3 LEU A 9 -48.289 -24.464 16.234 1.00 41.50 H new ATOM 0 HG LEU A 9 -46.091 -25.424 15.467 1.00 42.05 H new ATOM 0 HD11 LEU A 9 -45.437 -27.628 16.342 1.00 42.37 H new ATOM 0 HD12 LEU A 9 -45.351 -26.367 17.596 1.00 42.37 H new ATOM 0 HD13 LEU A 9 -46.713 -27.513 17.577 1.00 42.37 H new ATOM 0 HD21 LEU A 9 -47.094 -27.465 14.519 1.00 42.05 H new ATOM 0 HD22 LEU A 9 -48.435 -27.342 15.683 1.00 42.05 H new ATOM 0 HD23 LEU A 9 -48.214 -26.083 14.444 1.00 42.05 H new ATOM 169 N LYS A 10 -46.252 -22.282 16.157 1.00 39.97 N ATOM 170 CA LYS A 10 -45.375 -21.517 15.277 1.00 39.20 C ATOM 171 C LYS A 10 -44.556 -20.503 16.068 1.00 38.40 C ATOM 172 O LYS A 10 -45.100 -19.730 16.858 1.00 38.05 O ATOM 173 CB LYS A 10 -46.200 -20.801 14.203 1.00 39.22 C ATOM 174 CG LYS A 10 -45.365 -19.973 13.234 1.00 39.24 C ATOM 175 CD LYS A 10 -44.394 -20.837 12.440 1.00 39.35 C ATOM 176 CE LYS A 10 -45.124 -21.825 11.541 1.00 39.61 C ATOM 177 NZ LYS A 10 -45.998 -21.135 10.552 1.00 39.79 N ATOM 0 H LYS A 10 -47.218 -21.955 16.178 1.00 39.97 H new ATOM 0 HA LYS A 10 -44.687 -22.212 14.796 1.00 39.20 H new ATOM 0 HB2 LYS A 10 -46.765 -21.542 13.638 1.00 39.22 H new ATOM 0 HB3 LYS A 10 -46.926 -20.150 14.690 1.00 39.22 H new ATOM 0 HG2 LYS A 10 -46.025 -19.443 12.547 1.00 39.24 H new ATOM 0 HG3 LYS A 10 -44.809 -19.217 13.788 1.00 39.24 H new ATOM 0 HD2 LYS A 10 -43.752 -20.199 11.833 1.00 39.35 H new ATOM 0 HD3 LYS A 10 -43.745 -21.381 13.127 1.00 39.35 H new ATOM 0 HE2 LYS A 10 -44.396 -22.442 11.014 1.00 39.61 H new ATOM 0 HE3 LYS A 10 -45.727 -22.496 12.153 1.00 39.61 H new ATOM 0 HZ1 LYS A 10 -46.289 -21.809 9.816 1.00 39.79 H new ATOM 0 HZ2 LYS A 10 -46.841 -20.763 11.034 1.00 39.79 H new ATOM 0 HZ3 LYS A 10 -45.475 -20.350 10.115 1.00 39.79 H new ATOM 191 N THR A 11 -43.244 -20.513 15.851 1.00 38.18 N ATOM 192 CA THR A 11 -42.345 -19.594 16.540 1.00 37.48 C ATOM 193 C THR A 11 -42.237 -18.271 15.787 1.00 37.28 C ATOM 194 O THR A 11 -42.252 -18.244 14.556 1.00 37.65 O ATOM 195 CB THR A 11 -40.937 -20.200 16.700 1.00 37.42 C ATOM 196 OG1 THR A 11 -41.020 -21.464 17.369 1.00 37.44 O ATOM 197 CG2 THR A 11 -40.030 -19.268 17.486 1.00 37.23 C ATOM 0 H THR A 11 -42.780 -21.149 15.202 1.00 38.18 H new ATOM 0 HA THR A 11 -42.767 -19.415 17.529 1.00 37.48 H new ATOM 0 HB THR A 11 -40.514 -20.340 15.705 1.00 37.42 H new ATOM 0 HG1 THR A 11 -40.121 -21.843 17.465 1.00 37.44 H new ATOM 0 HG21 THR A 11 -39.043 -19.719 17.585 1.00 37.23 H new ATOM 0 HG22 THR A 11 -39.943 -18.316 16.961 1.00 37.23 H new ATOM 0 HG23 THR A 11 -40.452 -19.099 18.477 1.00 37.23 H new ATOM 205 N GLU A 12 -42.128 -17.176 16.535 1.00 36.75 N ATOM 206 CA GLU A 12 -42.020 -15.849 15.937 1.00 36.57 C ATOM 207 C GLU A 12 -40.562 -15.475 15.690 1.00 35.74 C ATOM 208 O GLU A 12 -39.832 -15.138 16.623 1.00 35.57 O ATOM 209 CB GLU A 12 -42.681 -14.804 16.838 1.00 36.66 C ATOM 210 CG GLU A 12 -44.176 -15.009 17.013 1.00 36.80 C ATOM 211 CD GLU A 12 -44.935 -14.931 15.703 1.00 37.09 C ATOM 212 OE1 GLU A 12 -45.339 -13.814 15.317 1.00 36.81 O ATOM 213 OE2 GLU A 12 -45.122 -15.986 15.062 1.00 37.66 O ATOM 0 H GLU A 12 -42.112 -17.182 17.555 1.00 36.75 H new ATOM 0 HA GLU A 12 -42.536 -15.871 14.977 1.00 36.57 H new ATOM 0 HB2 GLU A 12 -42.203 -14.826 17.817 1.00 36.66 H new ATOM 0 HB3 GLU A 12 -42.505 -13.813 16.420 1.00 36.66 H new ATOM 0 HG2 GLU A 12 -44.354 -15.981 17.474 1.00 36.80 H new ATOM 0 HG3 GLU A 12 -44.564 -14.255 17.698 1.00 36.80 H new ATOM 220 N GLN A 13 -40.148 -15.540 14.427 1.00 35.29 N ATOM 221 CA GLN A 13 -38.779 -15.205 14.040 1.00 34.52 C ATOM 222 C GLN A 13 -37.762 -16.080 14.770 1.00 33.80 C ATOM 223 O GLN A 13 -37.361 -17.130 14.267 1.00 33.55 O ATOM 224 CB GLN A 13 -38.495 -13.726 14.314 1.00 34.48 C ATOM 225 CG GLN A 13 -39.468 -12.785 13.625 1.00 34.78 C ATOM 226 CD GLN A 13 -39.191 -11.326 13.936 1.00 34.84 C ATOM 227 OE1 GLN A 13 -39.703 -10.780 14.912 1.00 35.11 O ATOM 228 NE2 GLN A 13 -38.380 -10.687 13.100 1.00 34.65 N ATOM 0 H GLN A 13 -40.745 -15.823 13.650 1.00 35.29 H new ATOM 0 HA GLN A 13 -38.680 -15.395 12.971 1.00 34.52 H new ATOM 0 HB2 GLN A 13 -38.531 -13.550 15.389 1.00 34.48 H new ATOM 0 HB3 GLN A 13 -37.482 -13.492 13.987 1.00 34.48 H new ATOM 0 HG2 GLN A 13 -39.415 -12.939 12.547 1.00 34.78 H new ATOM 0 HG3 GLN A 13 -40.484 -13.031 13.932 1.00 34.78 H new ATOM 0 HE21 GLN A 13 -37.978 -11.180 12.303 1.00 34.65 H new ATOM 0 HE22 GLN A 13 -38.160 -9.703 13.255 1.00 34.65 H new ATOM 237 N GLY A 14 -37.350 -15.642 15.957 1.00 33.56 N ATOM 238 CA GLY A 14 -36.384 -16.399 16.732 1.00 32.95 C ATOM 239 C GLY A 14 -34.955 -15.984 16.443 1.00 32.45 C ATOM 240 O GLY A 14 -34.259 -16.635 15.662 1.00 32.69 O ATOM 0 H GLY A 14 -37.668 -14.777 16.395 1.00 33.56 H new ATOM 0 HA2 GLY A 14 -36.590 -16.265 17.794 1.00 32.95 H new ATOM 0 HA3 GLY A 14 -36.501 -17.461 16.516 1.00 32.95 H new ATOM 244 N GLY A 15 -34.518 -14.898 17.073 1.00 31.82 N ATOM 245 CA GLY A 15 -33.165 -14.414 16.868 1.00 31.37 C ATOM 246 C GLY A 15 -33.111 -12.914 16.660 1.00 30.43 C ATOM 247 O GLY A 15 -34.142 -12.275 16.441 1.00 29.95 O ATOM 0 H GLY A 15 -35.077 -14.344 17.722 1.00 31.82 H new ATOM 0 HA2 GLY A 15 -32.553 -14.680 17.730 1.00 31.37 H new ATOM 0 HA3 GLY A 15 -32.731 -14.914 16.002 1.00 31.37 H new ATOM 251 N ALA A 16 -31.909 -12.349 16.727 1.00 30.22 N ATOM 252 CA ALA A 16 -31.726 -10.915 16.544 1.00 29.40 C ATOM 253 C ALA A 16 -31.906 -10.521 15.081 1.00 28.56 C ATOM 254 O ALA A 16 -31.630 -11.313 14.179 1.00 28.55 O ATOM 255 CB ALA A 16 -30.351 -10.492 17.044 1.00 29.57 C ATOM 0 H ALA A 16 -31.047 -12.864 16.907 1.00 30.22 H new ATOM 0 HA ALA A 16 -32.488 -10.397 17.127 1.00 29.40 H new ATOM 0 HB1 ALA A 16 -30.227 -9.419 16.902 1.00 29.57 H new ATOM 0 HB2 ALA A 16 -30.260 -10.731 18.104 1.00 29.57 H new ATOM 0 HB3 ALA A 16 -29.581 -11.024 16.485 1.00 29.57 H new ATOM 261 N HIS A 17 -32.372 -9.296 14.855 1.00 27.93 N ATOM 262 CA HIS A 17 -32.590 -8.801 13.499 1.00 27.15 C ATOM 263 C HIS A 17 -32.549 -7.276 13.454 1.00 26.44 C ATOM 264 O HIS A 17 -33.100 -6.606 14.328 1.00 26.63 O ATOM 265 CB HIS A 17 -33.931 -9.307 12.960 1.00 27.33 C ATOM 266 CG HIS A 17 -35.084 -9.039 13.876 1.00 27.68 C ATOM 267 ND1 HIS A 17 -35.511 -9.939 14.830 1.00 28.22 N ATOM 268 CD2 HIS A 17 -35.905 -7.966 13.981 1.00 27.66 C ATOM 269 CE1 HIS A 17 -36.542 -9.432 15.482 1.00 28.51 C ATOM 270 NE2 HIS A 17 -36.800 -8.236 14.986 1.00 28.19 N ATOM 0 H HIS A 17 -32.605 -8.629 15.591 1.00 27.93 H new ATOM 0 HA HIS A 17 -31.785 -9.180 12.869 1.00 27.15 H new ATOM 0 HB2 HIS A 17 -34.126 -8.837 11.996 1.00 27.33 H new ATOM 0 HB3 HIS A 17 -33.860 -10.380 12.783 1.00 27.33 H new ATOM 0 HD1 HIS A 17 -35.095 -10.854 15.005 1.00 28.22 H new ATOM 0 HD2 HIS A 17 -35.863 -7.066 13.385 1.00 27.66 H new ATOM 0 HE1 HIS A 17 -37.082 -9.914 16.284 1.00 28.51 H new ATOM 279 N PHE A 18 -31.895 -6.739 12.427 1.00 25.71 N ATOM 280 CA PHE A 18 -31.779 -5.293 12.260 1.00 25.05 C ATOM 281 C PHE A 18 -31.200 -4.962 10.886 1.00 24.04 C ATOM 282 O PHE A 18 -31.157 -5.816 10.001 1.00 24.10 O ATOM 283 CB PHE A 18 -30.896 -4.706 13.366 1.00 24.71 C ATOM 284 CG PHE A 18 -31.278 -3.309 13.771 1.00 25.18 C ATOM 285 CD1 PHE A 18 -32.514 -3.054 14.345 1.00 25.75 C ATOM 286 CD2 PHE A 18 -30.401 -2.252 13.581 1.00 25.14 C ATOM 287 CE1 PHE A 18 -32.868 -1.772 14.721 1.00 26.27 C ATOM 288 CE2 PHE A 18 -30.752 -0.968 13.954 1.00 25.67 C ATOM 289 CZ PHE A 18 -31.986 -0.727 14.525 1.00 26.23 C ATOM 0 H PHE A 18 -31.437 -7.285 11.697 1.00 25.71 H new ATOM 0 HA PHE A 18 -32.772 -4.850 12.332 1.00 25.05 H new ATOM 0 HB2 PHE A 18 -30.946 -5.354 14.241 1.00 24.71 H new ATOM 0 HB3 PHE A 18 -29.859 -4.706 13.029 1.00 24.71 H new ATOM 0 HD1 PHE A 18 -33.208 -3.867 14.500 1.00 25.75 H new ATOM 0 HD2 PHE A 18 -29.433 -2.434 13.137 1.00 25.14 H new ATOM 0 HE1 PHE A 18 -33.834 -1.587 15.168 1.00 26.27 H new ATOM 0 HE2 PHE A 18 -30.061 -0.153 13.799 1.00 25.67 H new ATOM 0 HZ PHE A 18 -32.261 0.276 14.818 1.00 26.23 H new ATOM 299 N SER A 19 -30.755 -3.721 10.709 1.00 23.20 N ATOM 300 CA SER A 19 -30.181 -3.293 9.439 1.00 22.24 C ATOM 301 C SER A 19 -28.763 -3.831 9.277 1.00 21.39 C ATOM 302 O SER A 19 -28.036 -3.993 10.257 1.00 21.01 O ATOM 303 CB SER A 19 -30.175 -1.770 9.343 1.00 21.81 C ATOM 304 OG SER A 19 -31.454 -1.234 9.639 1.00 21.62 O ATOM 0 H SER A 19 -30.781 -2.997 11.427 1.00 23.20 H new ATOM 0 HA SER A 19 -30.799 -3.695 8.636 1.00 22.24 H new ATOM 0 HB2 SER A 19 -29.438 -1.362 10.034 1.00 21.81 H new ATOM 0 HB3 SER A 19 -29.874 -1.467 8.340 1.00 21.81 H new ATOM 0 HG SER A 19 -31.423 -0.257 9.572 1.00 21.62 H new ATOM 310 N VAL A 20 -28.380 -4.107 8.035 1.00 21.20 N ATOM 311 CA VAL A 20 -27.052 -4.638 7.746 1.00 20.51 C ATOM 312 C VAL A 20 -26.101 -3.537 7.287 1.00 19.53 C ATOM 313 O VAL A 20 -26.507 -2.601 6.597 1.00 19.54 O ATOM 314 CB VAL A 20 -27.114 -5.734 6.664 1.00 21.01 C ATOM 315 CG1 VAL A 20 -25.755 -6.400 6.497 1.00 21.23 C ATOM 316 CG2 VAL A 20 -28.181 -6.762 7.005 1.00 21.60 C ATOM 0 H VAL A 20 -28.969 -3.972 7.213 1.00 21.20 H new ATOM 0 HA VAL A 20 -26.675 -5.070 8.673 1.00 20.51 H new ATOM 0 HB VAL A 20 -27.382 -5.267 5.716 1.00 21.01 H new ATOM 0 HG11 VAL A 20 -25.819 -7.171 5.729 1.00 21.23 H new ATOM 0 HG12 VAL A 20 -25.018 -5.654 6.201 1.00 21.23 H new ATOM 0 HG13 VAL A 20 -25.453 -6.853 7.441 1.00 21.23 H new ATOM 0 HG21 VAL A 20 -28.210 -7.528 6.230 1.00 21.60 H new ATOM 0 HG22 VAL A 20 -27.947 -7.225 7.964 1.00 21.60 H new ATOM 0 HG23 VAL A 20 -29.152 -6.271 7.067 1.00 21.60 H new ATOM 326 N SER A 21 -24.833 -3.660 7.679 1.00 18.78 N ATOM 327 CA SER A 21 -23.806 -2.687 7.314 1.00 17.88 C ATOM 328 C SER A 21 -24.139 -1.297 7.851 1.00 17.66 C ATOM 329 O SER A 21 -23.673 -0.911 8.923 1.00 17.71 O ATOM 330 CB SER A 21 -23.632 -2.637 5.794 1.00 17.04 C ATOM 331 OG SER A 21 -23.241 -3.899 5.283 1.00 17.27 O ATOM 0 H SER A 21 -24.492 -4.430 8.254 1.00 18.78 H new ATOM 0 HA SER A 21 -22.869 -3.009 7.768 1.00 17.88 H new ATOM 0 HB2 SER A 21 -24.567 -2.327 5.328 1.00 17.04 H new ATOM 0 HB3 SER A 21 -22.883 -1.889 5.535 1.00 17.04 H new ATOM 0 HG SER A 21 -23.138 -3.840 4.310 1.00 17.27 H new ATOM 337 N SER A 22 -24.942 -0.549 7.097 1.00 17.52 N ATOM 338 CA SER A 22 -25.339 0.800 7.490 1.00 17.46 C ATOM 339 C SER A 22 -24.124 1.715 7.619 1.00 16.36 C ATOM 340 O SER A 22 -24.219 2.814 8.166 1.00 16.16 O ATOM 341 CB SER A 22 -26.113 0.767 8.810 1.00 18.42 C ATOM 342 OG SER A 22 -27.275 -0.035 8.701 1.00 18.99 O ATOM 0 H SER A 22 -25.332 -0.857 6.206 1.00 17.52 H new ATOM 0 HA SER A 22 -25.987 1.199 6.709 1.00 17.46 H new ATOM 0 HB2 SER A 22 -25.472 0.378 9.601 1.00 18.42 H new ATOM 0 HB3 SER A 22 -26.393 1.781 9.096 1.00 18.42 H new ATOM 0 HG SER A 22 -27.750 -0.041 9.558 1.00 18.99 H new ATOM 348 N LEU A 23 -22.985 1.258 7.106 1.00 15.75 N ATOM 349 CA LEU A 23 -21.754 2.036 7.162 1.00 14.76 C ATOM 350 C LEU A 23 -21.594 2.872 5.895 1.00 13.81 C ATOM 351 O LEU A 23 -21.669 4.101 5.936 1.00 13.33 O ATOM 352 CB LEU A 23 -20.548 1.103 7.340 1.00 14.64 C ATOM 353 CG LEU A 23 -19.311 1.725 8.000 1.00 14.40 C ATOM 354 CD1 LEU A 23 -18.767 2.881 7.175 1.00 14.22 C ATOM 355 CD2 LEU A 23 -19.643 2.180 9.411 1.00 14.69 C ATOM 0 H LEU A 23 -22.890 0.352 6.647 1.00 15.75 H new ATOM 0 HA LEU A 23 -21.806 2.711 8.017 1.00 14.76 H new ATOM 0 HB2 LEU A 23 -20.861 0.246 7.936 1.00 14.64 H new ATOM 0 HB3 LEU A 23 -20.260 0.722 6.360 1.00 14.64 H new ATOM 0 HG LEU A 23 -18.533 0.963 8.051 1.00 14.40 H new ATOM 0 HD11 LEU A 23 -17.891 3.300 7.670 1.00 14.22 H new ATOM 0 HD12 LEU A 23 -18.487 2.521 6.185 1.00 14.22 H new ATOM 0 HD13 LEU A 23 -19.532 3.651 7.079 1.00 14.22 H new ATOM 0 HD21 LEU A 23 -18.757 2.620 9.869 1.00 14.69 H new ATOM 0 HD22 LEU A 23 -20.440 2.923 9.376 1.00 14.69 H new ATOM 0 HD23 LEU A 23 -19.970 1.324 10.002 1.00 14.69 H new ATOM 367 N ALA A 24 -21.373 2.197 4.772 1.00 13.66 N ATOM 368 CA ALA A 24 -21.207 2.875 3.492 1.00 12.88 C ATOM 369 C ALA A 24 -21.667 1.991 2.339 1.00 13.35 C ATOM 370 O ALA A 24 -20.906 1.166 1.834 1.00 13.68 O ATOM 371 CB ALA A 24 -19.757 3.290 3.294 1.00 12.68 C ATOM 0 H ALA A 24 -21.305 1.180 4.723 1.00 13.66 H new ATOM 0 HA ALA A 24 -21.830 3.770 3.502 1.00 12.88 H new ATOM 0 HB1 ALA A 24 -19.651 3.795 2.334 1.00 12.68 H new ATOM 0 HB2 ALA A 24 -19.460 3.967 4.095 1.00 12.68 H new ATOM 0 HB3 ALA A 24 -19.120 2.406 3.312 1.00 12.68 H new ATOM 377 N GLU A 25 -22.921 2.164 1.930 1.00 13.54 N ATOM 378 CA GLU A 25 -23.481 1.380 0.835 1.00 14.15 C ATOM 379 C GLU A 25 -23.411 2.153 -0.478 1.00 14.02 C ATOM 380 O GLU A 25 -22.590 1.847 -1.344 1.00 14.18 O ATOM 381 CB GLU A 25 -24.930 0.997 1.142 1.00 15.41 C ATOM 382 CG GLU A 25 -25.546 0.067 0.108 1.00 16.17 C ATOM 383 CD GLU A 25 -24.838 -1.271 0.032 1.00 17.14 C ATOM 384 OE1 GLU A 25 -25.224 -2.192 0.781 1.00 17.82 O ATOM 385 OE2 GLU A 25 -23.895 -1.398 -0.779 1.00 17.31 O ATOM 0 H GLU A 25 -23.567 2.839 2.340 1.00 13.54 H new ATOM 0 HA GLU A 25 -22.889 0.471 0.731 1.00 14.15 H new ATOM 0 HB2 GLU A 25 -24.971 0.517 2.120 1.00 15.41 H new ATOM 0 HB3 GLU A 25 -25.531 1.904 1.206 1.00 15.41 H new ATOM 0 HG2 GLU A 25 -26.596 -0.095 0.351 1.00 16.17 H new ATOM 0 HG3 GLU A 25 -25.515 0.546 -0.870 1.00 16.17 H new ATOM 392 N GLY A 26 -24.277 3.152 -0.621 1.00 13.89 N ATOM 393 CA GLY A 26 -24.287 3.957 -1.830 1.00 13.98 C ATOM 394 C GLY A 26 -23.061 4.839 -1.935 1.00 12.94 C ATOM 395 O GLY A 26 -21.938 4.343 -2.022 1.00 12.80 O ATOM 0 H GLY A 26 -24.971 3.418 0.077 1.00 13.89 H new ATOM 0 HA2 GLY A 26 -24.339 3.303 -2.700 1.00 13.98 H new ATOM 0 HA3 GLY A 26 -25.183 4.578 -1.844 1.00 13.98 H new ATOM 399 N SER A 27 -23.271 6.151 -1.924 1.00 12.37 N ATOM 400 CA SER A 27 -22.165 7.097 -2.005 1.00 11.49 C ATOM 401 C SER A 27 -21.376 7.102 -0.702 1.00 10.35 C ATOM 402 O SER A 27 -20.311 6.491 -0.609 1.00 9.82 O ATOM 403 CB SER A 27 -22.676 8.505 -2.307 1.00 11.88 C ATOM 404 OG SER A 27 -23.381 8.542 -3.536 1.00 12.02 O ATOM 0 H SER A 27 -24.193 6.582 -1.860 1.00 12.37 H new ATOM 0 HA SER A 27 -21.510 6.783 -2.818 1.00 11.49 H new ATOM 0 HB2 SER A 27 -23.329 8.839 -1.500 1.00 11.88 H new ATOM 0 HB3 SER A 27 -21.836 9.199 -2.345 1.00 11.88 H new ATOM 0 HG SER A 27 -23.698 9.454 -3.704 1.00 12.02 H new ATOM 410 N VAL A 28 -21.916 7.790 0.302 1.00 10.16 N ATOM 411 CA VAL A 28 -21.275 7.881 1.610 1.00 9.27 C ATOM 412 C VAL A 28 -19.816 8.308 1.486 1.00 8.45 C ATOM 413 O VAL A 28 -19.509 9.499 1.461 1.00 8.35 O ATOM 414 CB VAL A 28 -21.359 6.542 2.373 1.00 9.59 C ATOM 415 CG1 VAL A 28 -20.579 6.615 3.676 1.00 9.64 C ATOM 416 CG2 VAL A 28 -22.810 6.166 2.630 1.00 10.00 C ATOM 0 H VAL A 28 -22.800 8.294 0.233 1.00 10.16 H new ATOM 0 HA VAL A 28 -21.816 8.640 2.175 1.00 9.27 H new ATOM 0 HB VAL A 28 -20.909 5.765 1.755 1.00 9.59 H new ATOM 0 HG11 VAL A 28 -20.652 5.661 4.198 1.00 9.64 H new ATOM 0 HG12 VAL A 28 -19.533 6.833 3.462 1.00 9.64 H new ATOM 0 HG13 VAL A 28 -20.993 7.404 4.304 1.00 9.64 H new ATOM 0 HG21 VAL A 28 -22.851 5.219 3.169 1.00 10.00 H new ATOM 0 HG22 VAL A 28 -23.287 6.944 3.226 1.00 10.00 H new ATOM 0 HG23 VAL A 28 -23.334 6.065 1.679 1.00 10.00 H new ATOM 426 N THR A 29 -18.917 7.329 1.408 1.00 8.07 N ATOM 427 CA THR A 29 -17.497 7.609 1.288 1.00 7.43 C ATOM 428 C THR A 29 -16.759 6.426 0.668 1.00 6.54 C ATOM 429 O THR A 29 -17.369 5.413 0.329 1.00 6.70 O ATOM 430 CB THR A 29 -16.864 7.935 2.653 1.00 7.68 C ATOM 431 OG1 THR A 29 -17.872 8.371 3.574 1.00 7.76 O ATOM 432 CG2 THR A 29 -15.811 9.024 2.507 1.00 8.66 C ATOM 0 H THR A 29 -19.152 6.337 1.426 1.00 8.07 H new ATOM 0 HA THR A 29 -17.401 8.480 0.640 1.00 7.43 H new ATOM 0 HB THR A 29 -16.391 7.030 3.034 1.00 7.68 H new ATOM 0 HG1 THR A 29 -17.459 8.574 4.439 1.00 7.76 H new ATOM 0 HG21 THR A 29 -15.375 9.241 3.482 1.00 8.66 H new ATOM 0 HG22 THR A 29 -15.029 8.686 1.827 1.00 8.66 H new ATOM 0 HG23 THR A 29 -16.274 9.926 2.108 1.00 8.66 H new ATOM 440 N SER A 30 -15.446 6.564 0.521 1.00 5.91 N ATOM 441 CA SER A 30 -14.627 5.506 -0.058 1.00 5.24 C ATOM 442 C SER A 30 -13.951 4.680 1.030 1.00 4.31 C ATOM 443 O SER A 30 -13.857 5.112 2.179 1.00 4.35 O ATOM 444 CB SER A 30 -13.573 6.100 -0.986 1.00 5.60 C ATOM 445 OG SER A 30 -14.159 6.984 -1.926 1.00 5.98 O ATOM 0 H SER A 30 -14.926 7.398 0.795 1.00 5.91 H new ATOM 0 HA SER A 30 -15.282 4.851 -0.632 1.00 5.24 H new ATOM 0 HB2 SER A 30 -12.826 6.633 -0.398 1.00 5.60 H new ATOM 0 HB3 SER A 30 -13.053 5.299 -1.511 1.00 5.60 H new ATOM 0 HG SER A 30 -13.462 7.352 -2.508 1.00 5.98 H new ATOM 451 N VAL A 31 -13.484 3.490 0.656 1.00 3.84 N ATOM 452 CA VAL A 31 -12.811 2.588 1.589 1.00 3.07 C ATOM 453 C VAL A 31 -13.764 2.101 2.677 1.00 2.92 C ATOM 454 O VAL A 31 -14.461 2.894 3.310 1.00 3.01 O ATOM 455 CB VAL A 31 -11.593 3.258 2.251 1.00 2.76 C ATOM 456 CG1 VAL A 31 -10.805 2.241 3.056 1.00 2.94 C ATOM 457 CG2 VAL A 31 -10.710 3.920 1.204 1.00 2.93 C ATOM 0 H VAL A 31 -13.560 3.126 -0.294 1.00 3.84 H new ATOM 0 HA VAL A 31 -12.469 1.735 1.002 1.00 3.07 H new ATOM 0 HB VAL A 31 -11.950 4.032 2.930 1.00 2.76 H new ATOM 0 HG11 VAL A 31 -9.947 2.729 3.518 1.00 2.94 H new ATOM 0 HG12 VAL A 31 -11.443 1.818 3.832 1.00 2.94 H new ATOM 0 HG13 VAL A 31 -10.458 1.445 2.397 1.00 2.94 H new ATOM 0 HG21 VAL A 31 -9.855 4.388 1.692 1.00 2.93 H new ATOM 0 HG22 VAL A 31 -10.358 3.169 0.497 1.00 2.93 H new ATOM 0 HG23 VAL A 31 -11.283 4.679 0.671 1.00 2.93 H new ATOM 467 N GLY A 32 -13.789 0.788 2.889 1.00 3.31 N ATOM 468 CA GLY A 32 -14.658 0.215 3.900 1.00 3.61 C ATOM 469 C GLY A 32 -14.235 0.593 5.305 1.00 3.34 C ATOM 470 O GLY A 32 -14.839 1.470 5.927 1.00 3.80 O ATOM 0 H GLY A 32 -13.222 0.111 2.378 1.00 3.31 H new ATOM 0 HA2 GLY A 32 -15.681 0.550 3.729 1.00 3.61 H new ATOM 0 HA3 GLY A 32 -14.658 -0.871 3.803 1.00 3.61 H new ATOM 474 N SER A 33 -13.196 -0.068 5.807 1.00 3.04 N ATOM 475 CA SER A 33 -12.691 0.203 7.147 1.00 3.12 C ATOM 476 C SER A 33 -11.167 0.236 7.158 1.00 2.57 C ATOM 477 O SER A 33 -10.520 -0.808 7.096 1.00 3.22 O ATOM 478 CB SER A 33 -13.198 -0.853 8.131 1.00 3.93 C ATOM 479 OG SER A 33 -12.713 -0.607 9.438 1.00 4.22 O ATOM 0 H SER A 33 -12.688 -0.796 5.305 1.00 3.04 H new ATOM 0 HA SER A 33 -13.060 1.181 7.455 1.00 3.12 H new ATOM 0 HB2 SER A 33 -14.288 -0.854 8.139 1.00 3.93 H new ATOM 0 HB3 SER A 33 -12.881 -1.843 7.802 1.00 3.93 H new ATOM 0 HG SER A 33 -13.053 -1.295 10.048 1.00 4.22 H new ATOM 485 N VAL A 34 -10.612 1.449 7.229 1.00 1.73 N ATOM 486 CA VAL A 34 -9.161 1.668 7.253 1.00 1.38 C ATOM 487 C VAL A 34 -8.441 0.930 6.120 1.00 1.36 C ATOM 488 O VAL A 34 -9.043 0.146 5.389 1.00 2.33 O ATOM 489 CB VAL A 34 -8.545 1.268 8.619 1.00 1.43 C ATOM 490 CG1 VAL A 34 -8.261 -0.228 8.698 1.00 1.54 C ATOM 491 CG2 VAL A 34 -7.277 2.067 8.888 1.00 2.22 C ATOM 0 H VAL A 34 -11.157 2.310 7.272 1.00 1.73 H new ATOM 0 HA VAL A 34 -9.015 2.738 7.103 1.00 1.38 H new ATOM 0 HB VAL A 34 -9.279 1.502 9.389 1.00 1.43 H new ATOM 0 HG11 VAL A 34 -7.830 -0.466 9.671 1.00 1.54 H new ATOM 0 HG12 VAL A 34 -9.190 -0.782 8.567 1.00 1.54 H new ATOM 0 HG13 VAL A 34 -7.559 -0.507 7.912 1.00 1.54 H new ATOM 0 HG21 VAL A 34 -6.859 1.773 9.851 1.00 2.22 H new ATOM 0 HG22 VAL A 34 -6.549 1.870 8.101 1.00 2.22 H new ATOM 0 HG23 VAL A 34 -7.514 3.131 8.905 1.00 2.22 H new ATOM 501 N ASN A 35 -7.148 1.208 5.975 1.00 0.64 N ATOM 502 CA ASN A 35 -6.325 0.582 4.943 1.00 0.44 C ATOM 503 C ASN A 35 -6.834 0.909 3.546 1.00 0.38 C ATOM 504 O ASN A 35 -7.875 0.402 3.126 1.00 0.46 O ATOM 505 CB ASN A 35 -6.300 -0.935 5.122 1.00 0.48 C ATOM 506 CG ASN A 35 -5.092 -1.575 4.466 1.00 0.47 C ATOM 507 OD1 ASN A 35 -4.024 -0.970 4.378 1.00 1.16 O ATOM 508 ND2 ASN A 35 -5.256 -2.808 4.003 1.00 1.25 N ATOM 0 H ASN A 35 -6.643 1.869 6.565 1.00 0.64 H new ATOM 0 HA ASN A 35 -5.317 0.982 5.051 1.00 0.44 H new ATOM 0 HB2 ASN A 35 -6.301 -1.173 6.186 1.00 0.48 H new ATOM 0 HB3 ASN A 35 -7.209 -1.363 4.699 1.00 0.48 H new ATOM 0 HD21 ASN A 35 -4.479 -3.291 3.553 1.00 1.25 H new ATOM 0 HD22 ASN A 35 -6.159 -3.272 4.097 1.00 1.25 H new ATOM 515 N PRO A 36 -6.114 1.760 2.799 1.00 0.33 N ATOM 516 CA PRO A 36 -6.509 2.117 1.443 1.00 0.40 C ATOM 517 C PRO A 36 -6.143 1.018 0.459 1.00 0.35 C ATOM 518 O PRO A 36 -6.554 1.034 -0.702 1.00 0.48 O ATOM 519 CB PRO A 36 -5.698 3.375 1.166 1.00 0.47 C ATOM 520 CG PRO A 36 -4.457 3.191 1.966 1.00 0.27 C ATOM 521 CD PRO A 36 -4.867 2.441 3.205 1.00 0.30 C ATOM 0 HA PRO A 36 -7.584 2.263 1.339 1.00 0.40 H new ATOM 0 HB2 PRO A 36 -5.476 3.480 0.104 1.00 0.47 H new ATOM 0 HB3 PRO A 36 -6.238 4.272 1.469 1.00 0.47 H new ATOM 0 HG2 PRO A 36 -3.709 2.633 1.402 1.00 0.27 H new ATOM 0 HG3 PRO A 36 -4.012 4.153 2.222 1.00 0.27 H new ATOM 0 HD2 PRO A 36 -4.103 1.728 3.514 1.00 0.30 H new ATOM 0 HD3 PRO A 36 -5.033 3.115 4.046 1.00 0.30 H new ATOM 529 N ALA A 37 -5.360 0.062 0.946 1.00 0.27 N ATOM 530 CA ALA A 37 -4.913 -1.060 0.138 1.00 0.31 C ATOM 531 C ALA A 37 -5.956 -2.171 0.111 1.00 0.29 C ATOM 532 O ALA A 37 -5.932 -3.032 -0.766 1.00 0.35 O ATOM 533 CB ALA A 37 -3.591 -1.586 0.673 1.00 0.37 C ATOM 0 H ALA A 37 -5.020 0.045 1.908 1.00 0.27 H new ATOM 0 HA ALA A 37 -4.772 -0.712 -0.885 1.00 0.31 H new ATOM 0 HB1 ALA A 37 -3.261 -2.427 0.063 1.00 0.37 H new ATOM 0 HB2 ALA A 37 -2.843 -0.795 0.635 1.00 0.37 H new ATOM 0 HB3 ALA A 37 -3.721 -1.914 1.704 1.00 0.37 H new ATOM 539 N GLU A 38 -6.876 -2.150 1.073 1.00 0.28 N ATOM 540 CA GLU A 38 -7.915 -3.170 1.145 1.00 0.30 C ATOM 541 C GLU A 38 -8.689 -3.251 -0.166 1.00 0.25 C ATOM 542 O GLU A 38 -9.167 -4.321 -0.543 1.00 0.25 O ATOM 543 CB GLU A 38 -8.867 -2.900 2.312 1.00 0.38 C ATOM 544 CG GLU A 38 -9.897 -1.816 2.033 1.00 0.39 C ATOM 545 CD GLU A 38 -10.960 -1.727 3.110 1.00 0.86 C ATOM 546 OE1 GLU A 38 -11.835 -2.618 3.154 1.00 1.36 O ATOM 547 OE2 GLU A 38 -10.921 -0.769 3.907 1.00 1.46 O ATOM 0 H GLU A 38 -6.922 -1.443 1.807 1.00 0.28 H new ATOM 0 HA GLU A 38 -7.428 -4.130 1.316 1.00 0.30 H new ATOM 0 HB2 GLU A 38 -9.387 -3.824 2.565 1.00 0.38 H new ATOM 0 HB3 GLU A 38 -8.282 -2.614 3.186 1.00 0.38 H new ATOM 0 HG2 GLU A 38 -9.392 -0.854 1.947 1.00 0.39 H new ATOM 0 HG3 GLU A 38 -10.374 -2.013 1.073 1.00 0.39 H new ATOM 554 N ASN A 39 -8.823 -2.119 -0.854 1.00 0.28 N ATOM 555 CA ASN A 39 -9.518 -2.096 -2.134 1.00 0.30 C ATOM 556 C ASN A 39 -8.802 -3.021 -3.105 1.00 0.24 C ATOM 557 O ASN A 39 -9.396 -3.961 -3.641 1.00 0.22 O ATOM 558 CB ASN A 39 -9.573 -0.674 -2.696 1.00 0.37 C ATOM 559 CG ASN A 39 -10.473 0.235 -1.882 1.00 1.22 C ATOM 560 OD1 ASN A 39 -10.029 0.880 -0.931 1.00 2.04 O ATOM 561 ND2 ASN A 39 -11.748 0.294 -2.253 1.00 2.00 N ATOM 0 H ASN A 39 -8.462 -1.215 -0.548 1.00 0.28 H new ATOM 0 HA ASN A 39 -10.543 -2.439 -1.991 1.00 0.30 H new ATOM 0 HB2 ASN A 39 -8.566 -0.257 -2.720 1.00 0.37 H new ATOM 0 HB3 ASN A 39 -9.930 -0.707 -3.725 1.00 0.37 H new ATOM 0 HD21 ASN A 39 -12.400 0.890 -1.744 1.00 2.00 H new ATOM 0 HD22 ASN A 39 -12.074 -0.257 -3.047 1.00 2.00 H new ATOM 568 N PHE A 40 -7.514 -2.754 -3.318 1.00 0.23 N ATOM 569 CA PHE A 40 -6.706 -3.586 -4.195 1.00 0.21 C ATOM 570 C PHE A 40 -6.888 -5.041 -3.787 1.00 0.17 C ATOM 571 O PHE A 40 -7.067 -5.921 -4.629 1.00 0.19 O ATOM 572 CB PHE A 40 -5.224 -3.181 -4.109 1.00 0.23 C ATOM 573 CG PHE A 40 -4.300 -4.318 -3.757 1.00 0.95 C ATOM 574 CD1 PHE A 40 -3.838 -5.181 -4.737 1.00 1.59 C ATOM 575 CD2 PHE A 40 -3.910 -4.533 -2.447 1.00 1.48 C ATOM 576 CE1 PHE A 40 -3.010 -6.237 -4.413 1.00 2.32 C ATOM 577 CE2 PHE A 40 -3.078 -5.587 -2.119 1.00 2.20 C ATOM 578 CZ PHE A 40 -2.632 -6.441 -3.104 1.00 2.54 C ATOM 0 H PHE A 40 -7.014 -1.972 -2.896 1.00 0.23 H new ATOM 0 HA PHE A 40 -7.027 -3.452 -5.228 1.00 0.21 H new ATOM 0 HB2 PHE A 40 -4.917 -2.759 -5.066 1.00 0.23 H new ATOM 0 HB3 PHE A 40 -5.115 -2.393 -3.363 1.00 0.23 H new ATOM 0 HD1 PHE A 40 -4.129 -5.026 -5.766 1.00 1.59 H new ATOM 0 HD2 PHE A 40 -4.260 -3.869 -1.671 1.00 1.48 H new ATOM 0 HE1 PHE A 40 -2.658 -6.904 -5.186 1.00 2.32 H new ATOM 0 HE2 PHE A 40 -2.778 -5.741 -1.093 1.00 2.20 H new ATOM 0 HZ PHE A 40 -1.987 -7.269 -2.850 1.00 2.54 H new ATOM 588 N ARG A 41 -6.855 -5.273 -2.478 1.00 0.15 N ATOM 589 CA ARG A 41 -7.023 -6.607 -1.932 1.00 0.18 C ATOM 590 C ARG A 41 -8.362 -7.186 -2.353 1.00 0.21 C ATOM 591 O ARG A 41 -8.483 -8.383 -2.611 1.00 0.25 O ATOM 592 CB ARG A 41 -6.933 -6.581 -0.415 1.00 0.24 C ATOM 593 CG ARG A 41 -5.526 -6.373 0.111 1.00 0.32 C ATOM 594 CD ARG A 41 -5.551 -6.037 1.585 1.00 0.33 C ATOM 595 NE ARG A 41 -4.262 -6.271 2.229 1.00 1.36 N ATOM 596 CZ ARG A 41 -4.105 -6.388 3.545 1.00 1.65 C ATOM 597 NH1 ARG A 41 -5.153 -6.275 4.352 1.00 1.07 N ATOM 598 NH2 ARG A 41 -2.904 -6.613 4.055 1.00 2.77 N ATOM 0 H ARG A 41 -6.712 -4.547 -1.776 1.00 0.15 H new ATOM 0 HA ARG A 41 -6.223 -7.236 -2.322 1.00 0.18 H new ATOM 0 HB2 ARG A 41 -7.574 -5.785 -0.036 1.00 0.24 H new ATOM 0 HB3 ARG A 41 -7.323 -7.519 -0.021 1.00 0.24 H new ATOM 0 HG2 ARG A 41 -4.935 -7.274 -0.052 1.00 0.32 H new ATOM 0 HG3 ARG A 41 -5.041 -5.569 -0.442 1.00 0.32 H new ATOM 0 HD2 ARG A 41 -5.834 -4.992 1.712 1.00 0.33 H new ATOM 0 HD3 ARG A 41 -6.316 -6.637 2.079 1.00 0.33 H new ATOM 0 HE ARG A 41 -3.435 -6.349 1.637 1.00 1.36 H new ATOM 0 HH11 ARG A 41 -6.079 -6.098 3.963 1.00 1.07 H new ATOM 0 HH12 ARG A 41 -5.032 -6.365 5.361 1.00 1.07 H new ATOM 0 HH21 ARG A 41 -2.096 -6.697 3.439 1.00 2.77 H new ATOM 0 HH22 ARG A 41 -2.787 -6.702 5.064 1.00 2.77 H new ATOM 612 N VAL A 42 -9.371 -6.327 -2.406 1.00 0.21 N ATOM 613 CA VAL A 42 -10.698 -6.749 -2.809 1.00 0.24 C ATOM 614 C VAL A 42 -10.667 -7.277 -4.233 1.00 0.20 C ATOM 615 O VAL A 42 -11.153 -8.366 -4.503 1.00 0.26 O ATOM 616 CB VAL A 42 -11.728 -5.602 -2.689 1.00 0.29 C ATOM 617 CG1 VAL A 42 -12.926 -5.841 -3.600 1.00 0.35 C ATOM 618 CG2 VAL A 42 -12.185 -5.454 -1.248 1.00 0.35 C ATOM 0 H VAL A 42 -9.292 -5.337 -2.175 1.00 0.21 H new ATOM 0 HA VAL A 42 -11.011 -7.545 -2.133 1.00 0.24 H new ATOM 0 HB VAL A 42 -11.243 -4.678 -3.004 1.00 0.29 H new ATOM 0 HG11 VAL A 42 -13.633 -5.018 -3.494 1.00 0.35 H new ATOM 0 HG12 VAL A 42 -12.590 -5.900 -4.635 1.00 0.35 H new ATOM 0 HG13 VAL A 42 -13.413 -6.776 -3.323 1.00 0.35 H new ATOM 0 HG21 VAL A 42 -12.910 -4.643 -1.178 1.00 0.35 H new ATOM 0 HG22 VAL A 42 -12.647 -6.384 -0.916 1.00 0.35 H new ATOM 0 HG23 VAL A 42 -11.326 -5.229 -0.615 1.00 0.35 H new ATOM 628 N LEU A 43 -10.071 -6.516 -5.143 1.00 0.15 N ATOM 629 CA LEU A 43 -10.000 -6.943 -6.538 1.00 0.15 C ATOM 630 C LEU A 43 -9.188 -8.227 -6.694 1.00 0.12 C ATOM 631 O LEU A 43 -9.540 -9.088 -7.500 1.00 0.14 O ATOM 632 CB LEU A 43 -9.420 -5.843 -7.422 1.00 0.16 C ATOM 633 CG LEU A 43 -10.205 -4.537 -7.400 1.00 0.19 C ATOM 634 CD1 LEU A 43 -9.513 -3.547 -6.494 1.00 0.20 C ATOM 635 CD2 LEU A 43 -10.364 -3.976 -8.806 1.00 0.24 C ATOM 0 H LEU A 43 -9.636 -5.614 -4.947 1.00 0.15 H new ATOM 0 HA LEU A 43 -11.021 -7.147 -6.861 1.00 0.15 H new ATOM 0 HB2 LEU A 43 -8.396 -5.642 -7.107 1.00 0.16 H new ATOM 0 HB3 LEU A 43 -9.372 -6.206 -8.449 1.00 0.16 H new ATOM 0 HG LEU A 43 -11.205 -4.729 -7.011 1.00 0.19 H new ATOM 0 HD11 LEU A 43 -10.075 -2.613 -6.479 1.00 0.20 H new ATOM 0 HD12 LEU A 43 -9.458 -3.954 -5.484 1.00 0.20 H new ATOM 0 HD13 LEU A 43 -8.505 -3.358 -6.864 1.00 0.20 H new ATOM 0 HD21 LEU A 43 -10.928 -3.044 -8.764 1.00 0.24 H new ATOM 0 HD22 LEU A 43 -9.380 -3.786 -9.235 1.00 0.24 H new ATOM 0 HD23 LEU A 43 -10.898 -4.695 -9.427 1.00 0.24 H new ATOM 647 N VAL A 44 -8.106 -8.365 -5.928 1.00 0.11 N ATOM 648 CA VAL A 44 -7.283 -9.566 -6.023 1.00 0.12 C ATOM 649 C VAL A 44 -8.005 -10.768 -5.423 1.00 0.15 C ATOM 650 O VAL A 44 -7.801 -11.903 -5.853 1.00 0.20 O ATOM 651 CB VAL A 44 -5.899 -9.404 -5.349 1.00 0.13 C ATOM 652 CG1 VAL A 44 -5.226 -8.128 -5.813 1.00 0.14 C ATOM 653 CG2 VAL A 44 -6.003 -9.433 -3.833 1.00 0.14 C ATOM 0 H VAL A 44 -7.785 -7.675 -5.249 1.00 0.11 H new ATOM 0 HA VAL A 44 -7.112 -9.732 -7.087 1.00 0.12 H new ATOM 0 HB VAL A 44 -5.286 -10.253 -5.651 1.00 0.13 H new ATOM 0 HG11 VAL A 44 -4.255 -8.032 -5.328 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -5.090 -8.161 -6.894 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -5.848 -7.272 -5.551 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -5.010 -9.316 -3.398 1.00 0.14 H new ATOM 0 HG22 VAL A 44 -6.645 -8.619 -3.497 1.00 0.14 H new ATOM 0 HG23 VAL A 44 -6.429 -10.385 -3.516 1.00 0.14 H new ATOM 663 N LYS A 45 -8.858 -10.511 -4.434 1.00 0.19 N ATOM 664 CA LYS A 45 -9.615 -11.575 -3.785 1.00 0.26 C ATOM 665 C LYS A 45 -10.959 -11.773 -4.483 1.00 0.27 C ATOM 666 O LYS A 45 -11.642 -12.773 -4.265 1.00 0.32 O ATOM 667 CB LYS A 45 -9.826 -11.258 -2.299 1.00 0.32 C ATOM 668 CG LYS A 45 -10.923 -10.239 -2.033 1.00 0.34 C ATOM 669 CD LYS A 45 -11.122 -10.009 -0.543 1.00 0.42 C ATOM 670 CE LYS A 45 -9.941 -9.279 0.076 1.00 0.46 C ATOM 671 NZ LYS A 45 -10.094 -9.126 1.550 1.00 0.75 N ATOM 0 H LYS A 45 -9.041 -9.577 -4.066 1.00 0.19 H new ATOM 0 HA LYS A 45 -9.044 -12.500 -3.861 1.00 0.26 H new ATOM 0 HB2 LYS A 45 -10.066 -12.181 -1.772 1.00 0.32 H new ATOM 0 HB3 LYS A 45 -8.890 -10.887 -1.881 1.00 0.32 H new ATOM 0 HG2 LYS A 45 -10.670 -9.296 -2.517 1.00 0.34 H new ATOM 0 HG3 LYS A 45 -11.857 -10.584 -2.477 1.00 0.34 H new ATOM 0 HD2 LYS A 45 -12.032 -9.431 -0.382 1.00 0.42 H new ATOM 0 HD3 LYS A 45 -11.261 -10.967 -0.042 1.00 0.42 H new ATOM 0 HE2 LYS A 45 -9.023 -9.826 -0.139 1.00 0.46 H new ATOM 0 HE3 LYS A 45 -9.841 -8.295 -0.383 1.00 0.46 H new ATOM 0 HZ1 LYS A 45 -9.269 -8.623 1.934 1.00 0.75 H new ATOM 0 HZ2 LYS A 45 -10.957 -8.582 1.755 1.00 0.75 H new ATOM 0 HZ3 LYS A 45 -10.164 -10.065 1.991 1.00 0.75 H new ATOM 685 N GLN A 46 -11.325 -10.810 -5.328 1.00 0.26 N ATOM 686 CA GLN A 46 -12.581 -10.869 -6.070 1.00 0.31 C ATOM 687 C GLN A 46 -12.312 -10.997 -7.570 1.00 0.34 C ATOM 688 O GLN A 46 -11.162 -11.118 -7.992 1.00 0.38 O ATOM 689 CB GLN A 46 -13.433 -9.622 -5.788 1.00 0.30 C ATOM 690 CG GLN A 46 -13.782 -9.444 -4.321 1.00 0.30 C ATOM 691 CD GLN A 46 -14.645 -10.569 -3.781 1.00 0.37 C ATOM 692 OE1 GLN A 46 -14.005 -11.615 -3.271 1.00 1.06 O flip ATOM 693 NE2 GLN A 46 -15.873 -10.498 -3.822 1.00 1.27 N flip ATOM 0 H GLN A 46 -10.766 -9.977 -5.515 1.00 0.26 H new ATOM 0 HA GLN A 46 -13.133 -11.749 -5.739 1.00 0.31 H new ATOM 0 HB2 GLN A 46 -12.896 -8.739 -6.135 1.00 0.30 H new ATOM 0 HB3 GLN A 46 -14.354 -9.683 -6.367 1.00 0.30 H new ATOM 0 HG2 GLN A 46 -12.863 -9.386 -3.738 1.00 0.30 H new ATOM 0 HG3 GLN A 46 -14.304 -8.496 -4.189 1.00 0.30 H new ATOM 0 HE21 GLN A 46 -16.323 -9.675 -4.223 1.00 1.27 H new ATOM 0 HE22 GLN A 46 -16.441 -11.262 -3.455 1.00 1.27 H new ATOM 702 N LYS A 47 -13.374 -10.976 -8.367 1.00 0.40 N ATOM 703 CA LYS A 47 -13.251 -11.087 -9.820 1.00 0.46 C ATOM 704 C LYS A 47 -13.038 -9.712 -10.444 1.00 0.42 C ATOM 705 O LYS A 47 -12.850 -9.585 -11.655 1.00 0.47 O ATOM 706 CB LYS A 47 -14.510 -11.722 -10.407 1.00 0.52 C ATOM 707 CG LYS A 47 -15.735 -10.829 -10.296 1.00 0.53 C ATOM 708 CD LYS A 47 -16.997 -11.545 -10.753 1.00 0.85 C ATOM 709 CE LYS A 47 -17.603 -12.384 -9.637 1.00 1.64 C ATOM 710 NZ LYS A 47 -16.700 -13.490 -9.214 1.00 2.55 N ATOM 0 H LYS A 47 -14.333 -10.883 -8.033 1.00 0.40 H new ATOM 0 HA LYS A 47 -12.390 -11.716 -10.044 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -14.335 -11.959 -11.456 1.00 0.52 H new ATOM 0 HB3 LYS A 47 -14.707 -12.664 -9.896 1.00 0.52 H new ATOM 0 HG2 LYS A 47 -15.855 -10.503 -9.263 1.00 0.53 H new ATOM 0 HG3 LYS A 47 -15.587 -9.932 -10.898 1.00 0.53 H new ATOM 0 HD2 LYS A 47 -17.728 -10.812 -11.095 1.00 0.85 H new ATOM 0 HD3 LYS A 47 -16.765 -12.185 -11.604 1.00 0.85 H new ATOM 0 HE2 LYS A 47 -17.819 -11.745 -8.781 1.00 1.64 H new ATOM 0 HE3 LYS A 47 -18.553 -12.800 -9.972 1.00 1.64 H new ATOM 0 HZ1 LYS A 47 -17.265 -14.265 -8.812 1.00 2.55 H new ATOM 0 HZ2 LYS A 47 -16.170 -13.839 -10.038 1.00 2.55 H new ATOM 0 HZ3 LYS A 47 -16.034 -13.139 -8.497 1.00 2.55 H new ATOM 724 N LYS A 48 -13.081 -8.694 -9.598 1.00 0.36 N ATOM 725 CA LYS A 48 -12.914 -7.307 -10.022 1.00 0.40 C ATOM 726 C LYS A 48 -11.732 -7.137 -10.973 1.00 0.53 C ATOM 727 O LYS A 48 -11.914 -6.926 -12.172 1.00 1.19 O ATOM 728 CB LYS A 48 -12.719 -6.426 -8.795 1.00 0.32 C ATOM 729 CG LYS A 48 -13.645 -6.791 -7.650 1.00 0.73 C ATOM 730 CD LYS A 48 -14.953 -6.026 -7.715 1.00 0.46 C ATOM 731 CE LYS A 48 -14.817 -4.669 -7.055 1.00 0.89 C ATOM 732 NZ LYS A 48 -16.136 -4.004 -6.874 1.00 1.46 N ATOM 0 H LYS A 48 -13.233 -8.804 -8.595 1.00 0.36 H new ATOM 0 HA LYS A 48 -13.813 -7.010 -10.562 1.00 0.40 H new ATOM 0 HB2 LYS A 48 -11.685 -6.505 -8.458 1.00 0.32 H new ATOM 0 HB3 LYS A 48 -12.885 -5.385 -9.072 1.00 0.32 H new ATOM 0 HG2 LYS A 48 -13.849 -7.861 -7.675 1.00 0.73 H new ATOM 0 HG3 LYS A 48 -13.149 -6.583 -6.702 1.00 0.73 H new ATOM 0 HD2 LYS A 48 -15.255 -5.901 -8.755 1.00 0.46 H new ATOM 0 HD3 LYS A 48 -15.739 -6.598 -7.222 1.00 0.46 H new ATOM 0 HE2 LYS A 48 -14.333 -4.784 -6.085 1.00 0.89 H new ATOM 0 HE3 LYS A 48 -14.171 -4.034 -7.661 1.00 0.89 H new ATOM 0 HZ1 LYS A 48 -15.999 -3.079 -6.419 1.00 1.46 H new ATOM 0 HZ2 LYS A 48 -16.588 -3.871 -7.801 1.00 1.46 H new ATOM 0 HZ3 LYS A 48 -16.745 -4.597 -6.275 1.00 1.46 H new ATOM 746 N ALA A 49 -10.521 -7.231 -10.431 1.00 0.26 N ATOM 747 CA ALA A 49 -9.310 -7.070 -11.227 1.00 0.22 C ATOM 748 C ALA A 49 -8.255 -8.107 -10.872 1.00 0.20 C ATOM 749 O ALA A 49 -8.358 -8.795 -9.856 1.00 0.24 O ATOM 750 CB ALA A 49 -8.734 -5.682 -11.017 1.00 0.21 C ATOM 0 H ALA A 49 -10.353 -7.418 -9.442 1.00 0.26 H new ATOM 0 HA ALA A 49 -9.586 -7.210 -12.272 1.00 0.22 H new ATOM 0 HB1 ALA A 49 -7.830 -5.569 -11.615 1.00 0.21 H new ATOM 0 HB2 ALA A 49 -9.466 -4.934 -11.322 1.00 0.21 H new ATOM 0 HB3 ALA A 49 -8.492 -5.544 -9.963 1.00 0.21 H new ATOM 756 N SER A 50 -7.239 -8.215 -11.722 1.00 0.21 N ATOM 757 CA SER A 50 -6.141 -9.138 -11.486 1.00 0.21 C ATOM 758 C SER A 50 -5.222 -8.561 -10.419 1.00 0.18 C ATOM 759 O SER A 50 -5.322 -7.380 -10.090 1.00 0.19 O ATOM 760 CB SER A 50 -5.360 -9.385 -12.779 1.00 0.25 C ATOM 761 OG SER A 50 -5.015 -8.163 -13.405 1.00 0.27 O ATOM 0 H SER A 50 -7.156 -7.672 -12.582 1.00 0.21 H new ATOM 0 HA SER A 50 -6.542 -10.092 -11.144 1.00 0.21 H new ATOM 0 HB2 SER A 50 -4.456 -9.953 -12.559 1.00 0.25 H new ATOM 0 HB3 SER A 50 -5.959 -9.990 -13.460 1.00 0.25 H new ATOM 0 HG SER A 50 -4.811 -8.325 -14.350 1.00 0.27 H new ATOM 767 N PHE A 51 -4.336 -9.383 -9.876 1.00 0.19 N ATOM 768 CA PHE A 51 -3.419 -8.913 -8.845 1.00 0.20 C ATOM 769 C PHE A 51 -2.571 -7.756 -9.362 1.00 0.23 C ATOM 770 O PHE A 51 -2.007 -6.990 -8.581 1.00 0.26 O ATOM 771 CB PHE A 51 -2.511 -10.045 -8.366 1.00 0.23 C ATOM 772 CG PHE A 51 -1.707 -9.670 -7.157 1.00 0.23 C ATOM 773 CD1 PHE A 51 -2.241 -9.812 -5.889 1.00 0.98 C ATOM 774 CD2 PHE A 51 -0.428 -9.156 -7.289 1.00 0.98 C ATOM 775 CE1 PHE A 51 -1.514 -9.455 -4.773 1.00 0.97 C ATOM 776 CE2 PHE A 51 0.304 -8.793 -6.175 1.00 1.05 C ATOM 777 CZ PHE A 51 -0.241 -8.942 -4.915 1.00 0.43 C ATOM 0 H PHE A 51 -4.232 -10.366 -10.127 1.00 0.19 H new ATOM 0 HA PHE A 51 -4.017 -8.564 -8.004 1.00 0.20 H new ATOM 0 HB2 PHE A 51 -3.119 -10.920 -8.136 1.00 0.23 H new ATOM 0 HB3 PHE A 51 -1.835 -10.329 -9.173 1.00 0.23 H new ATOM 0 HD1 PHE A 51 -3.239 -10.207 -5.772 1.00 0.98 H new ATOM 0 HD2 PHE A 51 0.002 -9.038 -8.273 1.00 0.98 H new ATOM 0 HE1 PHE A 51 -1.941 -9.577 -3.788 1.00 0.97 H new ATOM 0 HE2 PHE A 51 1.301 -8.393 -6.289 1.00 1.05 H new ATOM 0 HZ PHE A 51 0.328 -8.658 -4.042 1.00 0.43 H new ATOM 787 N GLU A 52 -2.496 -7.622 -10.681 1.00 0.25 N ATOM 788 CA GLU A 52 -1.702 -6.564 -11.291 1.00 0.28 C ATOM 789 C GLU A 52 -2.484 -5.255 -11.383 1.00 0.25 C ATOM 790 O GLU A 52 -1.993 -4.210 -10.963 1.00 0.28 O ATOM 791 CB GLU A 52 -1.196 -7.015 -12.665 1.00 0.33 C ATOM 792 CG GLU A 52 -2.144 -6.731 -13.820 1.00 0.35 C ATOM 793 CD GLU A 52 -1.630 -7.268 -15.141 1.00 0.43 C ATOM 794 OE1 GLU A 52 -1.845 -8.467 -15.418 1.00 0.80 O ATOM 795 OE2 GLU A 52 -1.013 -6.491 -15.898 1.00 0.83 O ATOM 0 H GLU A 52 -2.974 -8.231 -11.346 1.00 0.25 H new ATOM 0 HA GLU A 52 -0.840 -6.370 -10.653 1.00 0.28 H new ATOM 0 HB2 GLU A 52 -0.244 -6.523 -12.865 1.00 0.33 H new ATOM 0 HB3 GLU A 52 -0.999 -8.087 -12.630 1.00 0.33 H new ATOM 0 HG2 GLU A 52 -3.116 -7.175 -13.605 1.00 0.35 H new ATOM 0 HG3 GLU A 52 -2.297 -5.655 -13.904 1.00 0.35 H new ATOM 802 N GLU A 53 -3.694 -5.309 -11.932 1.00 0.24 N ATOM 803 CA GLU A 53 -4.526 -4.114 -12.056 1.00 0.23 C ATOM 804 C GLU A 53 -4.902 -3.603 -10.677 1.00 0.19 C ATOM 805 O GLU A 53 -4.999 -2.398 -10.449 1.00 0.21 O ATOM 806 CB GLU A 53 -5.789 -4.419 -12.860 1.00 0.27 C ATOM 807 CG GLU A 53 -6.821 -3.305 -12.808 1.00 1.06 C ATOM 808 CD GLU A 53 -7.913 -3.470 -13.847 1.00 1.05 C ATOM 809 OE1 GLU A 53 -7.677 -3.108 -15.020 1.00 1.26 O ATOM 810 OE2 GLU A 53 -9.005 -3.961 -13.490 1.00 1.23 O ATOM 0 H GLU A 53 -4.119 -6.161 -12.296 1.00 0.24 H new ATOM 0 HA GLU A 53 -3.957 -3.347 -12.582 1.00 0.23 H new ATOM 0 HB2 GLU A 53 -5.514 -4.601 -13.899 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -6.238 -5.338 -12.483 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.271 -3.278 -11.815 1.00 1.06 H new ATOM 0 HG3 GLU A 53 -6.323 -2.347 -12.959 1.00 1.06 H new ATOM 817 N ALA A 54 -5.118 -4.537 -9.765 1.00 0.19 N ATOM 818 CA ALA A 54 -5.471 -4.204 -8.403 1.00 0.16 C ATOM 819 C ALA A 54 -4.310 -3.500 -7.715 1.00 0.18 C ATOM 820 O ALA A 54 -4.467 -2.398 -7.184 1.00 0.17 O ATOM 821 CB ALA A 54 -5.868 -5.461 -7.653 1.00 0.16 C ATOM 0 H ALA A 54 -5.053 -5.538 -9.950 1.00 0.19 H new ATOM 0 HA ALA A 54 -6.322 -3.523 -8.408 1.00 0.16 H new ATOM 0 HB1 ALA A 54 -6.133 -5.204 -6.627 1.00 0.16 H new ATOM 0 HB2 ALA A 54 -6.724 -5.923 -8.144 1.00 0.16 H new ATOM 0 HB3 ALA A 54 -5.032 -6.161 -7.648 1.00 0.16 H new ATOM 827 N SER A 55 -3.138 -4.133 -7.737 1.00 0.26 N ATOM 828 CA SER A 55 -1.960 -3.535 -7.129 1.00 0.31 C ATOM 829 C SER A 55 -1.649 -2.233 -7.843 1.00 0.33 C ATOM 830 O SER A 55 -1.115 -1.297 -7.252 1.00 0.39 O ATOM 831 CB SER A 55 -0.757 -4.477 -7.212 1.00 0.43 C ATOM 832 OG SER A 55 -1.008 -5.688 -6.526 1.00 1.20 O ATOM 0 H SER A 55 -2.984 -5.047 -8.164 1.00 0.26 H new ATOM 0 HA SER A 55 -2.163 -3.346 -6.075 1.00 0.31 H new ATOM 0 HB2 SER A 55 -0.528 -4.688 -8.257 1.00 0.43 H new ATOM 0 HB3 SER A 55 0.120 -3.990 -6.786 1.00 0.43 H new ATOM 0 HG SER A 55 -1.765 -5.567 -5.915 1.00 1.20 H new ATOM 838 N ASN A 56 -2.004 -2.188 -9.123 1.00 0.32 N ATOM 839 CA ASN A 56 -1.790 -1.005 -9.936 1.00 0.35 C ATOM 840 C ASN A 56 -2.599 0.156 -9.385 1.00 0.30 C ATOM 841 O ASN A 56 -2.072 1.246 -9.178 1.00 0.34 O ATOM 842 CB ASN A 56 -2.175 -1.286 -11.395 1.00 0.40 C ATOM 843 CG ASN A 56 -1.017 -1.834 -12.209 1.00 0.49 C ATOM 844 OD1 ASN A 56 0.200 -1.422 -11.868 1.00 1.19 O flip ATOM 845 ND2 ASN A 56 -1.213 -2.619 -13.136 1.00 1.19 N flip ATOM 0 H ASN A 56 -2.443 -2.964 -9.618 1.00 0.32 H new ATOM 0 HA ASN A 56 -0.733 -0.740 -9.905 1.00 0.35 H new ATOM 0 HB2 ASN A 56 -3.000 -1.998 -11.419 1.00 0.40 H new ATOM 0 HB3 ASN A 56 -2.535 -0.366 -11.856 1.00 0.40 H new ATOM 0 HD21 ASN A 56 -2.163 -2.910 -13.365 1.00 1.19 H new ATOM 0 HD22 ASN A 56 -0.425 -2.978 -13.675 1.00 1.19 H new ATOM 852 N GLN A 57 -3.882 -0.086 -9.140 1.00 0.25 N ATOM 853 CA GLN A 57 -4.753 0.942 -8.591 1.00 0.24 C ATOM 854 C GLN A 57 -4.305 1.308 -7.185 1.00 0.20 C ATOM 855 O GLN A 57 -4.509 2.435 -6.733 1.00 0.19 O ATOM 856 CB GLN A 57 -6.204 0.469 -8.579 1.00 0.27 C ATOM 857 CG GLN A 57 -6.908 0.647 -9.914 1.00 0.85 C ATOM 858 CD GLN A 57 -8.391 0.335 -9.843 1.00 1.10 C ATOM 859 OE1 GLN A 57 -8.762 -0.598 -8.971 1.00 1.66 O flip ATOM 860 NE2 GLN A 57 -9.196 0.923 -10.565 1.00 1.57 N flip ATOM 0 H GLN A 57 -4.339 -0.982 -9.313 1.00 0.25 H new ATOM 0 HA GLN A 57 -4.688 1.827 -9.224 1.00 0.24 H new ATOM 0 HB2 GLN A 57 -6.233 -0.584 -8.299 1.00 0.27 H new ATOM 0 HB3 GLN A 57 -6.751 1.018 -7.812 1.00 0.27 H new ATOM 0 HG2 GLN A 57 -6.773 1.673 -10.257 1.00 0.85 H new ATOM 0 HG3 GLN A 57 -6.440 -0.001 -10.655 1.00 0.85 H new ATOM 0 HE21 GLN A 57 -8.869 1.633 -11.221 1.00 1.57 H new ATOM 0 HE22 GLN A 57 -10.190 0.701 -10.507 1.00 1.57 H new ATOM 869 N LEU A 58 -3.700 0.346 -6.489 1.00 0.19 N ATOM 870 CA LEU A 58 -3.204 0.585 -5.140 1.00 0.17 C ATOM 871 C LEU A 58 -2.059 1.591 -5.185 1.00 0.17 C ATOM 872 O LEU A 58 -2.113 2.631 -4.527 1.00 0.18 O ATOM 873 CB LEU A 58 -2.730 -0.730 -4.493 1.00 0.19 C ATOM 874 CG LEU A 58 -2.873 -0.833 -2.958 1.00 0.20 C ATOM 875 CD1 LEU A 58 -1.814 -1.767 -2.388 1.00 0.24 C ATOM 876 CD2 LEU A 58 -2.770 0.534 -2.297 1.00 0.20 C ATOM 0 H LEU A 58 -3.544 -0.600 -6.837 1.00 0.19 H new ATOM 0 HA LEU A 58 -4.016 0.990 -4.535 1.00 0.17 H new ATOM 0 HB2 LEU A 58 -3.286 -1.552 -4.944 1.00 0.19 H new ATOM 0 HB3 LEU A 58 -1.681 -0.877 -4.749 1.00 0.19 H new ATOM 0 HG LEU A 58 -3.862 -1.239 -2.744 1.00 0.20 H new ATOM 0 HD11 LEU A 58 -1.928 -1.829 -1.306 1.00 0.24 H new ATOM 0 HD12 LEU A 58 -1.932 -2.760 -2.823 1.00 0.24 H new ATOM 0 HD13 LEU A 58 -0.823 -1.382 -2.627 1.00 0.24 H new ATOM 0 HD21 LEU A 58 -2.875 0.425 -1.218 1.00 0.20 H new ATOM 0 HD22 LEU A 58 -1.800 0.976 -2.525 1.00 0.20 H new ATOM 0 HD23 LEU A 58 -3.561 1.181 -2.675 1.00 0.20 H new ATOM 888 N ILE A 59 -1.028 1.291 -5.978 1.00 0.19 N ATOM 889 CA ILE A 59 0.111 2.190 -6.093 1.00 0.20 C ATOM 890 C ILE A 59 -0.339 3.510 -6.713 1.00 0.18 C ATOM 891 O ILE A 59 0.173 4.575 -6.376 1.00 0.16 O ATOM 892 CB ILE A 59 1.240 1.602 -6.964 1.00 0.25 C ATOM 893 CG1 ILE A 59 1.476 0.130 -6.622 1.00 0.27 C ATOM 894 CG2 ILE A 59 2.518 2.404 -6.777 1.00 0.32 C ATOM 895 CD1 ILE A 59 1.732 -0.736 -7.835 1.00 0.38 C ATOM 0 H ILE A 59 -0.962 0.443 -6.541 1.00 0.19 H new ATOM 0 HA ILE A 59 0.501 2.341 -5.086 1.00 0.20 H new ATOM 0 HB ILE A 59 0.938 1.664 -8.010 1.00 0.25 H new ATOM 0 HG12 ILE A 59 2.327 0.054 -5.945 1.00 0.27 H new ATOM 0 HG13 ILE A 59 0.608 -0.255 -6.087 1.00 0.27 H new ATOM 0 HG21 ILE A 59 3.308 1.980 -7.397 1.00 0.32 H new ATOM 0 HG22 ILE A 59 2.344 3.439 -7.070 1.00 0.32 H new ATOM 0 HG23 ILE A 59 2.820 2.369 -5.730 1.00 0.32 H new ATOM 0 HD11 ILE A 59 1.891 -1.767 -7.519 1.00 0.38 H new ATOM 0 HD12 ILE A 59 0.872 -0.690 -8.503 1.00 0.38 H new ATOM 0 HD13 ILE A 59 2.618 -0.376 -8.358 1.00 0.38 H new ATOM 907 N ASN A 60 -1.297 3.419 -7.637 1.00 0.20 N ATOM 908 CA ASN A 60 -1.840 4.600 -8.304 1.00 0.20 C ATOM 909 C ASN A 60 -2.453 5.537 -7.279 1.00 0.17 C ATOM 910 O ASN A 60 -2.205 6.744 -7.291 1.00 0.18 O ATOM 911 CB ASN A 60 -2.877 4.195 -9.351 1.00 0.22 C ATOM 912 CG ASN A 60 -2.264 3.984 -10.723 1.00 0.27 C ATOM 913 OD1 ASN A 60 -2.212 5.049 -11.516 1.00 0.81 O flip ATOM 914 ND2 ASN A 60 -1.842 2.881 -11.069 1.00 1.05 N flip ATOM 0 H ASN A 60 -1.712 2.538 -7.940 1.00 0.20 H new ATOM 0 HA ASN A 60 -1.029 5.120 -8.814 1.00 0.20 H new ATOM 0 HB2 ASN A 60 -3.371 3.277 -9.032 1.00 0.22 H new ATOM 0 HB3 ASN A 60 -3.645 4.966 -9.414 1.00 0.22 H new ATOM 0 HD21 ASN A 60 -1.901 2.089 -10.429 1.00 1.05 H new ATOM 0 HD22 ASN A 60 -1.433 2.759 -11.996 1.00 1.05 H new ATOM 921 N HIS A 61 -3.262 4.974 -6.390 1.00 0.16 N ATOM 922 CA HIS A 61 -3.871 5.755 -5.332 1.00 0.16 C ATOM 923 C HIS A 61 -2.749 6.342 -4.488 1.00 0.13 C ATOM 924 O HIS A 61 -2.815 7.486 -4.016 1.00 0.12 O ATOM 925 CB HIS A 61 -4.801 4.866 -4.503 1.00 0.20 C ATOM 926 CG HIS A 61 -4.572 4.951 -3.033 1.00 0.22 C ATOM 927 ND1 HIS A 61 -3.485 4.378 -2.420 1.00 0.23 N ATOM 928 CD2 HIS A 61 -5.287 5.550 -2.056 1.00 0.26 C ATOM 929 CE1 HIS A 61 -3.538 4.619 -1.129 1.00 0.28 C ATOM 930 NE2 HIS A 61 -4.621 5.329 -0.878 1.00 0.30 N ATOM 0 H HIS A 61 -3.508 3.984 -6.384 1.00 0.16 H new ATOM 0 HA HIS A 61 -4.478 6.565 -5.736 1.00 0.16 H new ATOM 0 HB2 HIS A 61 -5.834 5.141 -4.716 1.00 0.20 H new ATOM 0 HB3 HIS A 61 -4.675 3.831 -4.820 1.00 0.20 H new ATOM 0 HD2 HIS A 61 -6.209 6.099 -2.179 1.00 0.26 H new ATOM 0 HE1 HIS A 61 -2.816 4.291 -0.396 1.00 0.28 H new ATOM 0 HE2 HIS A 61 -4.915 5.659 0.041 1.00 0.30 H new ATOM 939 N ILE A 62 -1.703 5.539 -4.327 1.00 0.14 N ATOM 940 CA ILE A 62 -0.526 5.943 -3.587 1.00 0.13 C ATOM 941 C ILE A 62 0.186 7.070 -4.325 1.00 0.11 C ATOM 942 O ILE A 62 0.884 7.875 -3.717 1.00 0.12 O ATOM 943 CB ILE A 62 0.435 4.760 -3.389 1.00 0.14 C ATOM 944 CG1 ILE A 62 -0.202 3.722 -2.465 1.00 0.18 C ATOM 945 CG2 ILE A 62 1.777 5.231 -2.851 1.00 0.14 C ATOM 946 CD1 ILE A 62 -0.289 4.150 -1.014 1.00 0.75 C ATOM 0 H ILE A 62 -1.653 4.594 -4.707 1.00 0.14 H new ATOM 0 HA ILE A 62 -0.843 6.293 -2.605 1.00 0.13 H new ATOM 0 HB ILE A 62 0.621 4.293 -4.356 1.00 0.14 H new ATOM 0 HG12 ILE A 62 -1.206 3.498 -2.827 1.00 0.18 H new ATOM 0 HG13 ILE A 62 0.372 2.798 -2.525 1.00 0.18 H new ATOM 0 HG21 ILE A 62 2.438 4.374 -2.720 1.00 0.14 H new ATOM 0 HG22 ILE A 62 2.226 5.931 -3.556 1.00 0.14 H new ATOM 0 HG23 ILE A 62 1.631 5.726 -1.891 1.00 0.14 H new ATOM 0 HD11 ILE A 62 -0.753 3.357 -0.428 1.00 0.75 H new ATOM 0 HD12 ILE A 62 0.713 4.345 -0.632 1.00 0.75 H new ATOM 0 HD13 ILE A 62 -0.890 5.056 -0.937 1.00 0.75 H new ATOM 958 N GLU A 63 0.012 7.109 -5.644 1.00 0.12 N ATOM 959 CA GLU A 63 0.615 8.161 -6.453 1.00 0.13 C ATOM 960 C GLU A 63 -0.113 9.465 -6.182 1.00 0.12 C ATOM 961 O GLU A 63 0.509 10.520 -6.054 1.00 0.11 O ATOM 962 CB GLU A 63 0.560 7.812 -7.941 1.00 0.17 C ATOM 963 CG GLU A 63 1.497 6.680 -8.329 1.00 0.17 C ATOM 964 CD GLU A 63 1.406 6.323 -9.801 1.00 0.21 C ATOM 965 OE1 GLU A 63 2.007 7.043 -10.624 1.00 0.80 O ATOM 966 OE2 GLU A 63 0.733 5.324 -10.129 1.00 0.70 O ATOM 0 H GLU A 63 -0.537 6.430 -6.170 1.00 0.12 H new ATOM 0 HA GLU A 63 1.666 8.264 -6.182 1.00 0.13 H new ATOM 0 HB2 GLU A 63 -0.461 7.536 -8.205 1.00 0.17 H new ATOM 0 HB3 GLU A 63 0.811 8.698 -8.524 1.00 0.17 H new ATOM 0 HG2 GLU A 63 2.522 6.965 -8.091 1.00 0.17 H new ATOM 0 HG3 GLU A 63 1.264 5.799 -7.731 1.00 0.17 H new ATOM 973 N GLN A 64 -1.442 9.384 -6.102 1.00 0.14 N ATOM 974 CA GLN A 64 -2.249 10.556 -5.794 1.00 0.14 C ATOM 975 C GLN A 64 -1.752 11.132 -4.476 1.00 0.11 C ATOM 976 O GLN A 64 -1.462 12.332 -4.358 1.00 0.10 O ATOM 977 CB GLN A 64 -3.731 10.179 -5.693 1.00 0.18 C ATOM 978 CG GLN A 64 -4.681 11.338 -5.949 1.00 0.91 C ATOM 979 CD GLN A 64 -4.496 12.481 -4.969 1.00 1.57 C ATOM 980 OE1 GLN A 64 -3.722 13.406 -5.215 1.00 2.40 O ATOM 981 NE2 GLN A 64 -5.209 12.421 -3.849 1.00 2.11 N ATOM 0 H GLN A 64 -1.974 8.526 -6.245 1.00 0.14 H new ATOM 0 HA GLN A 64 -2.154 11.297 -6.588 1.00 0.14 H new ATOM 0 HB2 GLN A 64 -3.943 9.384 -6.408 1.00 0.18 H new ATOM 0 HB3 GLN A 64 -3.926 9.775 -4.700 1.00 0.18 H new ATOM 0 HG2 GLN A 64 -4.530 11.708 -6.963 1.00 0.91 H new ATOM 0 HG3 GLN A 64 -5.708 10.979 -5.890 1.00 0.91 H new ATOM 0 HE21 GLN A 64 -5.839 11.635 -3.687 1.00 2.11 H new ATOM 0 HE22 GLN A 64 -5.127 13.161 -3.152 1.00 2.11 H new ATOM 990 N PHE A 65 -1.643 10.263 -3.476 1.00 0.11 N ATOM 991 CA PHE A 65 -1.127 10.689 -2.190 1.00 0.11 C ATOM 992 C PHE A 65 0.268 11.278 -2.398 1.00 0.10 C ATOM 993 O PHE A 65 0.550 12.395 -1.981 1.00 0.12 O ATOM 994 CB PHE A 65 -1.060 9.521 -1.196 1.00 0.14 C ATOM 995 CG PHE A 65 0.271 9.420 -0.516 1.00 0.14 C ATOM 996 CD1 PHE A 65 0.719 10.431 0.323 1.00 0.16 C ATOM 997 CD2 PHE A 65 1.095 8.340 -0.756 1.00 0.14 C ATOM 998 CE1 PHE A 65 1.961 10.357 0.909 1.00 0.18 C ATOM 999 CE2 PHE A 65 2.340 8.266 -0.176 1.00 0.16 C ATOM 1000 CZ PHE A 65 2.772 9.275 0.656 1.00 0.16 C ATOM 0 H PHE A 65 -1.901 9.278 -3.533 1.00 0.11 H new ATOM 0 HA PHE A 65 -1.799 11.438 -1.770 1.00 0.11 H new ATOM 0 HB2 PHE A 65 -1.840 9.643 -0.444 1.00 0.14 H new ATOM 0 HB3 PHE A 65 -1.267 8.589 -1.722 1.00 0.14 H new ATOM 0 HD1 PHE A 65 0.086 11.284 0.518 1.00 0.16 H new ATOM 0 HD2 PHE A 65 0.759 7.545 -1.405 1.00 0.14 H new ATOM 0 HE1 PHE A 65 2.298 11.145 1.565 1.00 0.18 H new ATOM 0 HE2 PHE A 65 2.978 7.417 -0.373 1.00 0.16 H new ATOM 0 HZ PHE A 65 3.750 9.217 1.111 1.00 0.16 H new ATOM 1010 N LEU A 66 1.140 10.509 -3.049 1.00 0.09 N ATOM 1011 CA LEU A 66 2.501 10.955 -3.301 1.00 0.10 C ATOM 1012 C LEU A 66 2.488 12.279 -4.048 1.00 0.11 C ATOM 1013 O LEU A 66 3.487 12.995 -4.086 1.00 0.17 O ATOM 1014 CB LEU A 66 3.295 9.887 -4.060 1.00 0.11 C ATOM 1015 CG LEU A 66 3.827 8.743 -3.181 1.00 0.10 C ATOM 1016 CD1 LEU A 66 4.506 7.682 -4.031 1.00 0.12 C ATOM 1017 CD2 LEU A 66 4.791 9.272 -2.122 1.00 0.08 C ATOM 0 H LEU A 66 0.925 9.579 -3.408 1.00 0.09 H new ATOM 0 HA LEU A 66 3.002 11.111 -2.345 1.00 0.10 H new ATOM 0 HB2 LEU A 66 2.660 9.465 -4.838 1.00 0.11 H new ATOM 0 HB3 LEU A 66 4.137 10.365 -4.560 1.00 0.11 H new ATOM 0 HG LEU A 66 2.977 8.288 -2.673 1.00 0.10 H new ATOM 0 HD11 LEU A 66 4.875 6.882 -3.389 1.00 0.12 H new ATOM 0 HD12 LEU A 66 3.790 7.274 -4.744 1.00 0.12 H new ATOM 0 HD13 LEU A 66 5.341 8.128 -4.571 1.00 0.12 H new ATOM 0 HD21 LEU A 66 5.153 8.443 -1.513 1.00 0.08 H new ATOM 0 HD22 LEU A 66 5.635 9.760 -2.610 1.00 0.08 H new ATOM 0 HD23 LEU A 66 4.274 9.991 -1.486 1.00 0.08 H new ATOM 1029 N ASP A 67 1.349 12.602 -4.649 1.00 0.09 N ATOM 1030 CA ASP A 67 1.204 13.872 -5.335 1.00 0.10 C ATOM 1031 C ASP A 67 1.009 14.951 -4.280 1.00 0.11 C ATOM 1032 O ASP A 67 1.537 16.057 -4.399 1.00 0.13 O ATOM 1033 CB ASP A 67 0.030 13.848 -6.314 1.00 0.11 C ATOM 1034 CG ASP A 67 0.010 15.061 -7.223 1.00 0.12 C ATOM 1035 OD1 ASP A 67 -0.550 16.100 -6.815 1.00 0.17 O ATOM 1036 OD2 ASP A 67 0.554 14.973 -8.344 1.00 0.18 O ATOM 0 H ASP A 67 0.522 12.006 -4.673 1.00 0.09 H new ATOM 0 HA ASP A 67 2.097 14.076 -5.925 1.00 0.10 H new ATOM 0 HB2 ASP A 67 0.085 12.944 -6.920 1.00 0.11 H new ATOM 0 HB3 ASP A 67 -0.905 13.801 -5.755 1.00 0.11 H new ATOM 1041 N THR A 68 0.238 14.613 -3.237 1.00 0.10 N ATOM 1042 CA THR A 68 0.013 15.543 -2.127 1.00 0.12 C ATOM 1043 C THR A 68 1.317 15.778 -1.363 1.00 0.13 C ATOM 1044 O THR A 68 2.366 15.252 -1.736 1.00 0.13 O ATOM 1045 CB THR A 68 -1.075 15.047 -1.137 1.00 0.12 C ATOM 1046 OG1 THR A 68 -1.671 16.168 -0.475 1.00 0.14 O ATOM 1047 CG2 THR A 68 -0.509 14.094 -0.089 1.00 0.13 C ATOM 0 H THR A 68 -0.234 13.714 -3.141 1.00 0.10 H new ATOM 0 HA THR A 68 -0.342 16.474 -2.569 1.00 0.12 H new ATOM 0 HB THR A 68 -1.820 14.504 -1.718 1.00 0.12 H new ATOM 0 HG1 THR A 68 -2.359 15.852 0.148 1.00 0.14 H new ATOM 0 HG21 THR A 68 -1.307 13.774 0.581 1.00 0.13 H new ATOM 0 HG22 THR A 68 -0.079 13.223 -0.584 1.00 0.13 H new ATOM 0 HG23 THR A 68 0.265 14.603 0.486 1.00 0.13 H new ATOM 1055 N ASN A 69 1.244 16.566 -0.298 1.00 0.15 N ATOM 1056 CA ASN A 69 2.422 16.871 0.510 1.00 0.17 C ATOM 1057 C ASN A 69 2.310 16.287 1.918 1.00 0.18 C ATOM 1058 O ASN A 69 3.194 16.482 2.752 1.00 0.20 O ATOM 1059 CB ASN A 69 2.603 18.383 0.588 1.00 0.19 C ATOM 1060 CG ASN A 69 3.056 18.981 -0.730 1.00 0.21 C ATOM 1061 OD1 ASN A 69 2.236 19.368 -1.563 1.00 0.91 O ATOM 1062 ND2 ASN A 69 4.367 19.057 -0.927 1.00 1.16 N ATOM 0 H ASN A 69 0.383 17.006 0.028 1.00 0.15 H new ATOM 0 HA ASN A 69 3.289 16.415 0.032 1.00 0.17 H new ATOM 0 HB2 ASN A 69 1.662 18.844 0.888 1.00 0.19 H new ATOM 0 HB3 ASN A 69 3.334 18.619 1.361 1.00 0.19 H new ATOM 0 HD21 ASN A 69 4.730 19.448 -1.796 1.00 1.16 H new ATOM 0 HD22 ASN A 69 5.011 18.724 -0.209 1.00 1.16 H new ATOM 1069 N GLU A 70 1.221 15.572 2.174 1.00 0.17 N ATOM 1070 CA GLU A 70 0.978 14.966 3.482 1.00 0.19 C ATOM 1071 C GLU A 70 1.767 13.667 3.640 1.00 0.17 C ATOM 1072 O GLU A 70 1.849 12.873 2.705 1.00 0.22 O ATOM 1073 CB GLU A 70 -0.516 14.679 3.644 1.00 0.21 C ATOM 1074 CG GLU A 70 -1.410 15.765 3.064 1.00 0.22 C ATOM 1075 CD GLU A 70 -1.683 16.884 4.049 1.00 0.30 C ATOM 1076 OE1 GLU A 70 -0.888 17.847 4.090 1.00 0.76 O ATOM 1077 OE2 GLU A 70 -2.693 16.800 4.778 1.00 0.73 O ATOM 0 H GLU A 70 0.486 15.396 1.489 1.00 0.17 H new ATOM 0 HA GLU A 70 1.308 15.665 4.251 1.00 0.19 H new ATOM 0 HB2 GLU A 70 -0.750 13.731 3.161 1.00 0.21 H new ATOM 0 HB3 GLU A 70 -0.742 14.561 4.704 1.00 0.21 H new ATOM 0 HG2 GLU A 70 -0.941 16.178 2.171 1.00 0.22 H new ATOM 0 HG3 GLU A 70 -2.356 15.323 2.751 1.00 0.22 H new ATOM 1084 N THR A 71 2.346 13.451 4.825 1.00 0.12 N ATOM 1085 CA THR A 71 3.111 12.231 5.076 1.00 0.10 C ATOM 1086 C THR A 71 2.366 11.197 5.930 1.00 0.13 C ATOM 1087 O THR A 71 2.821 10.066 6.014 1.00 0.13 O ATOM 1088 CB THR A 71 4.473 12.499 5.732 1.00 0.09 C ATOM 1089 OG1 THR A 71 4.307 13.283 6.921 1.00 0.12 O ATOM 1090 CG2 THR A 71 5.407 13.208 4.767 1.00 0.11 C ATOM 0 H THR A 71 2.300 14.096 5.614 1.00 0.12 H new ATOM 0 HA THR A 71 3.261 11.819 4.078 1.00 0.10 H new ATOM 0 HB THR A 71 4.916 11.540 5.999 1.00 0.09 H new ATOM 0 HG1 THR A 71 5.182 13.445 7.331 1.00 0.12 H new ATOM 0 HG21 THR A 71 6.366 13.387 5.254 1.00 0.11 H new ATOM 0 HG22 THR A 71 5.559 12.586 3.885 1.00 0.11 H new ATOM 0 HG23 THR A 71 4.968 14.160 4.469 1.00 0.11 H new ATOM 1098 N PRO A 72 1.246 11.521 6.613 1.00 0.17 N ATOM 1099 CA PRO A 72 0.537 10.498 7.377 1.00 0.23 C ATOM 1100 C PRO A 72 0.306 9.287 6.494 1.00 0.17 C ATOM 1101 O PRO A 72 0.199 8.149 6.952 1.00 0.17 O ATOM 1102 CB PRO A 72 -0.795 11.156 7.715 1.00 0.37 C ATOM 1103 CG PRO A 72 -0.510 12.612 7.710 1.00 0.32 C ATOM 1104 CD PRO A 72 0.591 12.837 6.708 1.00 0.18 C ATOM 0 HA PRO A 72 1.079 10.164 8.262 1.00 0.23 H new ATOM 0 HB2 PRO A 72 -1.560 10.900 6.982 1.00 0.37 H new ATOM 0 HB3 PRO A 72 -1.163 10.828 8.687 1.00 0.37 H new ATOM 0 HG2 PRO A 72 -1.401 13.179 7.439 1.00 0.32 H new ATOM 0 HG3 PRO A 72 -0.206 12.950 8.701 1.00 0.32 H new ATOM 0 HD2 PRO A 72 0.197 13.159 5.744 1.00 0.18 H new ATOM 0 HD3 PRO A 72 1.286 13.608 7.042 1.00 0.18 H new ATOM 1112 N TYR A 73 0.233 9.585 5.205 1.00 0.16 N ATOM 1113 CA TYR A 73 0.008 8.604 4.165 1.00 0.16 C ATOM 1114 C TYR A 73 1.316 7.992 3.637 1.00 0.13 C ATOM 1115 O TYR A 73 1.275 6.963 2.972 1.00 0.16 O ATOM 1116 CB TYR A 73 -0.768 9.273 3.027 1.00 0.18 C ATOM 1117 CG TYR A 73 -1.968 10.075 3.496 1.00 0.25 C ATOM 1118 CD1 TYR A 73 -2.700 9.692 4.615 1.00 0.96 C ATOM 1119 CD2 TYR A 73 -2.366 11.220 2.818 1.00 1.03 C ATOM 1120 CE1 TYR A 73 -3.792 10.424 5.041 1.00 0.96 C ATOM 1121 CE2 TYR A 73 -3.456 11.959 3.238 1.00 1.09 C ATOM 1122 CZ TYR A 73 -4.166 11.556 4.349 1.00 0.41 C ATOM 1123 OH TYR A 73 -5.252 12.288 4.772 1.00 0.50 O ATOM 0 H TYR A 73 0.331 10.536 4.850 1.00 0.16 H new ATOM 0 HA TYR A 73 -0.566 7.780 4.588 1.00 0.16 H new ATOM 0 HB2 TYR A 73 -0.095 9.931 2.478 1.00 0.18 H new ATOM 0 HB3 TYR A 73 -1.105 8.507 2.329 1.00 0.18 H new ATOM 0 HD1 TYR A 73 -2.410 8.806 5.161 1.00 0.96 H new ATOM 0 HD2 TYR A 73 -1.814 11.539 1.946 1.00 1.03 H new ATOM 0 HE1 TYR A 73 -4.349 10.111 5.911 1.00 0.96 H new ATOM 0 HE2 TYR A 73 -3.750 12.847 2.699 1.00 1.09 H new ATOM 0 HH TYR A 73 -5.381 13.056 4.177 1.00 0.50 H new ATOM 1133 N PHE A 74 2.472 8.624 3.906 1.00 0.11 N ATOM 1134 CA PHE A 74 3.751 8.098 3.403 1.00 0.10 C ATOM 1135 C PHE A 74 4.158 6.814 4.123 1.00 0.09 C ATOM 1136 O PHE A 74 4.644 5.872 3.495 1.00 0.08 O ATOM 1137 CB PHE A 74 4.861 9.183 3.390 1.00 0.11 C ATOM 1138 CG PHE A 74 5.783 9.311 4.589 1.00 0.11 C ATOM 1139 CD1 PHE A 74 5.361 9.084 5.887 1.00 0.73 C ATOM 1140 CD2 PHE A 74 7.101 9.696 4.386 1.00 0.73 C ATOM 1141 CE1 PHE A 74 6.231 9.231 6.954 1.00 0.73 C ATOM 1142 CE2 PHE A 74 7.972 9.848 5.446 1.00 0.75 C ATOM 1143 CZ PHE A 74 7.536 9.614 6.732 1.00 0.17 C ATOM 0 H PHE A 74 2.547 9.480 4.456 1.00 0.11 H new ATOM 0 HA PHE A 74 3.605 7.818 2.360 1.00 0.10 H new ATOM 0 HB2 PHE A 74 5.484 9.005 2.514 1.00 0.11 H new ATOM 0 HB3 PHE A 74 4.375 10.148 3.245 1.00 0.11 H new ATOM 0 HD1 PHE A 74 4.339 8.788 6.070 1.00 0.73 H new ATOM 0 HD2 PHE A 74 7.451 9.880 3.381 1.00 0.73 H new ATOM 0 HE1 PHE A 74 5.887 9.045 7.961 1.00 0.73 H new ATOM 0 HE2 PHE A 74 8.994 10.150 5.268 1.00 0.75 H new ATOM 0 HZ PHE A 74 8.215 9.730 7.564 1.00 0.17 H new ATOM 1153 N MET A 75 3.939 6.755 5.428 1.00 0.09 N ATOM 1154 CA MET A 75 4.244 5.544 6.168 1.00 0.09 C ATOM 1155 C MET A 75 3.138 4.554 5.872 1.00 0.09 C ATOM 1156 O MET A 75 3.351 3.342 5.793 1.00 0.11 O ATOM 1157 CB MET A 75 4.357 5.808 7.673 1.00 0.14 C ATOM 1158 CG MET A 75 3.763 7.131 8.129 1.00 0.30 C ATOM 1159 SD MET A 75 2.974 7.013 9.747 1.00 0.52 S ATOM 1160 CE MET A 75 2.590 8.733 10.069 1.00 1.81 C ATOM 0 H MET A 75 3.558 7.518 5.987 1.00 0.09 H new ATOM 0 HA MET A 75 5.212 5.150 5.859 1.00 0.09 H new ATOM 0 HB2 MET A 75 3.862 4.998 8.209 1.00 0.14 H new ATOM 0 HB3 MET A 75 5.409 5.780 7.956 1.00 0.14 H new ATOM 0 HG2 MET A 75 4.549 7.885 8.166 1.00 0.30 H new ATOM 0 HG3 MET A 75 3.031 7.469 7.395 1.00 0.30 H new ATOM 0 HE1 MET A 75 3.038 9.035 11.016 1.00 1.81 H new ATOM 0 HE2 MET A 75 2.989 9.352 9.265 1.00 1.81 H new ATOM 0 HE3 MET A 75 1.509 8.861 10.122 1.00 1.81 H new ATOM 1170 N LYS A 76 1.947 5.106 5.690 1.00 0.09 N ATOM 1171 CA LYS A 76 0.785 4.321 5.342 1.00 0.10 C ATOM 1172 C LYS A 76 0.961 3.812 3.918 1.00 0.10 C ATOM 1173 O LYS A 76 0.387 2.796 3.526 1.00 0.11 O ATOM 1174 CB LYS A 76 -0.477 5.172 5.469 1.00 0.11 C ATOM 1175 CG LYS A 76 -1.748 4.450 5.067 1.00 0.18 C ATOM 1176 CD LYS A 76 -2.532 5.234 4.028 1.00 0.19 C ATOM 1177 CE LYS A 76 -1.692 5.528 2.794 1.00 0.33 C ATOM 1178 NZ LYS A 76 -2.518 6.033 1.662 1.00 0.96 N ATOM 0 H LYS A 76 1.766 6.106 5.780 1.00 0.09 H new ATOM 0 HA LYS A 76 0.681 3.473 6.019 1.00 0.10 H new ATOM 0 HB2 LYS A 76 -0.573 5.509 6.501 1.00 0.11 H new ATOM 0 HB3 LYS A 76 -0.366 6.063 4.851 1.00 0.11 H new ATOM 0 HG2 LYS A 76 -1.498 3.466 4.669 1.00 0.18 H new ATOM 0 HG3 LYS A 76 -2.370 4.289 5.948 1.00 0.18 H new ATOM 0 HD2 LYS A 76 -3.419 4.670 3.739 1.00 0.19 H new ATOM 0 HD3 LYS A 76 -2.879 6.171 4.464 1.00 0.19 H new ATOM 0 HE2 LYS A 76 -0.929 6.265 3.043 1.00 0.33 H new ATOM 0 HE3 LYS A 76 -1.171 4.621 2.486 1.00 0.33 H new ATOM 0 HZ1 LYS A 76 -2.119 5.694 0.763 1.00 0.96 H new ATOM 0 HZ2 LYS A 76 -3.493 5.685 1.761 1.00 0.96 H new ATOM 0 HZ3 LYS A 76 -2.519 7.073 1.670 1.00 0.96 H new ATOM 1192 N SER A 77 1.771 4.544 3.144 1.00 0.09 N ATOM 1193 CA SER A 77 2.077 4.150 1.779 1.00 0.09 C ATOM 1194 C SER A 77 2.966 2.936 1.859 1.00 0.08 C ATOM 1195 O SER A 77 2.761 1.948 1.158 1.00 0.09 O ATOM 1196 CB SER A 77 2.791 5.263 1.011 1.00 0.10 C ATOM 1197 OG SER A 77 4.196 5.160 1.146 1.00 0.10 O ATOM 0 H SER A 77 2.221 5.408 3.446 1.00 0.09 H new ATOM 0 HA SER A 77 1.152 3.939 1.243 1.00 0.09 H new ATOM 0 HB2 SER A 77 2.520 5.212 -0.044 1.00 0.10 H new ATOM 0 HB3 SER A 77 2.458 6.233 1.379 1.00 0.10 H new ATOM 0 HG SER A 77 4.501 5.757 1.861 1.00 0.10 H new ATOM 1203 N ILE A 78 3.968 3.028 2.729 1.00 0.09 N ATOM 1204 CA ILE A 78 4.860 1.914 2.954 1.00 0.09 C ATOM 1205 C ILE A 78 4.008 0.710 3.325 1.00 0.11 C ATOM 1206 O ILE A 78 4.282 -0.416 2.924 1.00 0.12 O ATOM 1207 CB ILE A 78 5.885 2.221 4.080 1.00 0.08 C ATOM 1208 CG1 ILE A 78 7.314 1.977 3.586 1.00 0.11 C ATOM 1209 CG2 ILE A 78 5.609 1.381 5.319 1.00 0.09 C ATOM 1210 CD1 ILE A 78 7.692 2.817 2.388 1.00 0.13 C ATOM 0 H ILE A 78 4.175 3.860 3.282 1.00 0.09 H new ATOM 0 HA ILE A 78 5.436 1.717 2.050 1.00 0.09 H new ATOM 0 HB ILE A 78 5.779 3.272 4.350 1.00 0.08 H new ATOM 0 HG12 ILE A 78 8.011 2.184 4.398 1.00 0.11 H new ATOM 0 HG13 ILE A 78 7.426 0.923 3.330 1.00 0.11 H new ATOM 0 HG21 ILE A 78 6.342 1.618 6.090 1.00 0.09 H new ATOM 0 HG22 ILE A 78 4.608 1.599 5.691 1.00 0.09 H new ATOM 0 HG23 ILE A 78 5.679 0.323 5.065 1.00 0.09 H new ATOM 0 HD11 ILE A 78 8.717 2.591 2.094 1.00 0.13 H new ATOM 0 HD12 ILE A 78 7.019 2.593 1.560 1.00 0.13 H new ATOM 0 HD13 ILE A 78 7.613 3.873 2.645 1.00 0.13 H new ATOM 1222 N ASP A 79 2.946 0.985 4.084 1.00 0.11 N ATOM 1223 CA ASP A 79 2.014 -0.047 4.512 1.00 0.13 C ATOM 1224 C ASP A 79 1.286 -0.653 3.316 1.00 0.13 C ATOM 1225 O ASP A 79 1.119 -1.869 3.243 1.00 0.16 O ATOM 1226 CB ASP A 79 1.013 0.531 5.512 1.00 0.13 C ATOM 1227 CG ASP A 79 1.486 0.402 6.947 1.00 0.15 C ATOM 1228 OD1 ASP A 79 1.189 -0.634 7.579 1.00 0.68 O ATOM 1229 OD2 ASP A 79 2.152 1.336 7.439 1.00 0.69 O ATOM 0 H ASP A 79 2.713 1.922 4.414 1.00 0.11 H new ATOM 0 HA ASP A 79 2.579 -0.841 5.000 1.00 0.13 H new ATOM 0 HB2 ASP A 79 0.841 1.583 5.283 1.00 0.13 H new ATOM 0 HB3 ASP A 79 0.057 0.020 5.401 1.00 0.13 H new ATOM 1234 N CYS A 80 0.836 0.192 2.388 1.00 0.14 N ATOM 1235 CA CYS A 80 0.160 -0.305 1.194 1.00 0.16 C ATOM 1236 C CYS A 80 1.114 -1.234 0.466 1.00 0.14 C ATOM 1237 O CYS A 80 0.732 -2.293 -0.054 1.00 0.13 O ATOM 1238 CB CYS A 80 -0.234 0.837 0.262 1.00 0.23 C ATOM 1239 SG CYS A 80 1.024 1.223 -0.978 1.00 0.65 S ATOM 0 H CYS A 80 0.926 1.207 2.439 1.00 0.14 H new ATOM 0 HA CYS A 80 -0.750 -0.826 1.491 1.00 0.16 H new ATOM 0 HB2 CYS A 80 -1.164 0.578 -0.244 1.00 0.23 H new ATOM 0 HB3 CYS A 80 -0.432 1.729 0.857 1.00 0.23 H new ATOM 0 HG CYS A 80 2.073 1.718 -0.392 1.00 0.65 H new ATOM 1245 N ILE A 81 2.373 -0.807 0.433 1.00 0.16 N ATOM 1246 CA ILE A 81 3.412 -1.582 -0.187 1.00 0.17 C ATOM 1247 C ILE A 81 3.472 -2.922 0.518 1.00 0.17 C ATOM 1248 O ILE A 81 3.621 -3.972 -0.100 1.00 0.19 O ATOM 1249 CB ILE A 81 4.782 -0.881 -0.092 1.00 0.18 C ATOM 1250 CG1 ILE A 81 4.901 0.203 -1.163 1.00 0.18 C ATOM 1251 CG2 ILE A 81 5.915 -1.888 -0.213 1.00 0.20 C ATOM 1252 CD1 ILE A 81 5.542 1.477 -0.659 1.00 0.32 C ATOM 0 H ILE A 81 2.687 0.077 0.834 1.00 0.16 H new ATOM 0 HA ILE A 81 3.185 -1.703 -1.246 1.00 0.17 H new ATOM 0 HB ILE A 81 4.858 -0.407 0.887 1.00 0.18 H new ATOM 0 HG12 ILE A 81 5.486 -0.184 -1.998 1.00 0.18 H new ATOM 0 HG13 ILE A 81 3.908 0.433 -1.549 1.00 0.18 H new ATOM 0 HG21 ILE A 81 6.871 -1.370 -0.143 1.00 0.20 H new ATOM 0 HG22 ILE A 81 5.839 -2.620 0.591 1.00 0.20 H new ATOM 0 HG23 ILE A 81 5.848 -2.397 -1.174 1.00 0.20 H new ATOM 0 HD11 ILE A 81 5.595 2.203 -1.470 1.00 0.32 H new ATOM 0 HD12 ILE A 81 4.946 1.887 0.156 1.00 0.32 H new ATOM 0 HD13 ILE A 81 6.548 1.261 -0.299 1.00 0.32 H new ATOM 1264 N ARG A 82 3.334 -2.849 1.838 1.00 0.18 N ATOM 1265 CA ARG A 82 3.333 -4.020 2.691 1.00 0.20 C ATOM 1266 C ARG A 82 2.071 -4.839 2.431 1.00 0.26 C ATOM 1267 O ARG A 82 2.032 -6.043 2.683 1.00 0.36 O ATOM 1268 CB ARG A 82 3.385 -3.586 4.161 1.00 0.18 C ATOM 1269 CG ARG A 82 4.773 -3.607 4.780 1.00 0.18 C ATOM 1270 CD ARG A 82 5.612 -2.407 4.365 1.00 0.16 C ATOM 1271 NE ARG A 82 6.970 -2.489 4.897 1.00 0.33 N ATOM 1272 CZ ARG A 82 7.331 -1.999 6.081 1.00 0.92 C ATOM 1273 NH1 ARG A 82 6.442 -1.378 6.845 1.00 2.05 N ATOM 1274 NH2 ARG A 82 8.582 -2.129 6.501 1.00 0.85 N ATOM 0 H ARG A 82 3.220 -1.970 2.343 1.00 0.18 H new ATOM 0 HA ARG A 82 4.207 -4.633 2.471 1.00 0.20 H new ATOM 0 HB2 ARG A 82 2.981 -2.577 4.242 1.00 0.18 H new ATOM 0 HB3 ARG A 82 2.733 -4.238 4.742 1.00 0.18 H new ATOM 0 HG2 ARG A 82 4.683 -3.626 5.866 1.00 0.18 H new ATOM 0 HG3 ARG A 82 5.285 -4.524 4.487 1.00 0.18 H new ATOM 0 HD2 ARG A 82 5.650 -2.348 3.277 1.00 0.16 H new ATOM 0 HD3 ARG A 82 5.137 -1.491 4.718 1.00 0.16 H new ATOM 0 HE ARG A 82 7.682 -2.948 4.329 1.00 0.33 H new ATOM 0 HH11 ARG A 82 5.479 -1.275 6.526 1.00 2.05 H new ATOM 0 HH12 ARG A 82 6.722 -1.004 7.752 1.00 2.05 H new ATOM 0 HH21 ARG A 82 9.269 -2.605 5.917 1.00 0.85 H new ATOM 0 HH22 ARG A 82 8.857 -1.753 7.408 1.00 0.85 H new ATOM 1288 N ALA A 83 1.040 -4.162 1.921 1.00 0.22 N ATOM 1289 CA ALA A 83 -0.234 -4.804 1.618 1.00 0.27 C ATOM 1290 C ALA A 83 -0.101 -5.782 0.465 1.00 0.31 C ATOM 1291 O ALA A 83 -0.368 -6.974 0.620 1.00 0.40 O ATOM 1292 CB ALA A 83 -1.291 -3.769 1.281 1.00 0.25 C ATOM 0 H ALA A 83 1.066 -3.165 1.709 1.00 0.22 H new ATOM 0 HA ALA A 83 -0.538 -5.354 2.509 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -2.233 -4.270 1.058 1.00 0.25 H new ATOM 0 HB2 ALA A 83 -1.428 -3.099 2.130 1.00 0.25 H new ATOM 0 HB3 ALA A 83 -0.972 -3.193 0.412 1.00 0.25 H new ATOM 1298 N PHE A 84 0.312 -5.278 -0.697 1.00 0.30 N ATOM 1299 CA PHE A 84 0.463 -6.148 -1.860 1.00 0.40 C ATOM 1300 C PHE A 84 1.730 -6.982 -1.759 1.00 0.36 C ATOM 1301 O PHE A 84 1.899 -7.962 -2.484 1.00 0.36 O ATOM 1302 CB PHE A 84 0.409 -5.372 -3.187 1.00 0.65 C ATOM 1303 CG PHE A 84 1.330 -4.191 -3.302 1.00 1.18 C ATOM 1304 CD1 PHE A 84 2.665 -4.280 -2.954 1.00 2.05 C ATOM 1305 CD2 PHE A 84 0.848 -2.990 -3.790 1.00 2.00 C ATOM 1306 CE1 PHE A 84 3.498 -3.190 -3.089 1.00 3.01 C ATOM 1307 CE2 PHE A 84 1.677 -1.895 -3.924 1.00 3.01 C ATOM 1308 CZ PHE A 84 3.004 -1.995 -3.574 1.00 3.37 C ATOM 0 H PHE A 84 0.543 -4.297 -0.856 1.00 0.30 H new ATOM 0 HA PHE A 84 -0.391 -6.826 -1.860 1.00 0.40 H new ATOM 0 HB2 PHE A 84 0.636 -6.064 -3.998 1.00 0.65 H new ATOM 0 HB3 PHE A 84 -0.613 -5.026 -3.340 1.00 0.65 H new ATOM 0 HD1 PHE A 84 3.058 -5.211 -2.573 1.00 2.05 H new ATOM 0 HD2 PHE A 84 -0.192 -2.908 -4.070 1.00 2.00 H new ATOM 0 HE1 PHE A 84 4.539 -3.271 -2.815 1.00 3.01 H new ATOM 0 HE2 PHE A 84 1.285 -0.962 -4.302 1.00 3.01 H new ATOM 0 HZ PHE A 84 3.657 -1.141 -3.678 1.00 3.37 H new ATOM 1318 N ARG A 85 2.625 -6.585 -0.861 1.00 0.39 N ATOM 1319 CA ARG A 85 3.870 -7.307 -0.663 1.00 0.43 C ATOM 1320 C ARG A 85 3.598 -8.753 -0.255 1.00 0.38 C ATOM 1321 O ARG A 85 3.954 -9.692 -0.968 1.00 0.37 O ATOM 1322 CB ARG A 85 4.712 -6.630 0.419 1.00 0.56 C ATOM 1323 CG ARG A 85 5.920 -5.881 -0.116 1.00 0.88 C ATOM 1324 CD ARG A 85 6.644 -5.149 1.001 1.00 0.72 C ATOM 1325 NE ARG A 85 6.910 -6.022 2.141 1.00 1.07 N ATOM 1326 CZ ARG A 85 7.829 -5.770 3.066 1.00 1.14 C ATOM 1327 NH1 ARG A 85 8.582 -4.682 2.978 1.00 1.31 N ATOM 1328 NH2 ARG A 85 8.001 -6.610 4.078 1.00 1.75 N ATOM 0 H ARG A 85 2.509 -5.768 -0.261 1.00 0.39 H new ATOM 0 HA ARG A 85 4.415 -7.299 -1.607 1.00 0.43 H new ATOM 0 HB2 ARG A 85 4.082 -5.934 0.973 1.00 0.56 H new ATOM 0 HB3 ARG A 85 5.051 -7.386 1.127 1.00 0.56 H new ATOM 0 HG2 ARG A 85 6.602 -6.581 -0.599 1.00 0.88 H new ATOM 0 HG3 ARG A 85 5.603 -5.168 -0.877 1.00 0.88 H new ATOM 0 HD2 ARG A 85 7.585 -4.749 0.623 1.00 0.72 H new ATOM 0 HD3 ARG A 85 6.044 -4.299 1.327 1.00 0.72 H new ATOM 0 HE ARG A 85 6.358 -6.875 2.232 1.00 1.07 H new ATOM 0 HH11 ARG A 85 8.456 -4.036 2.199 1.00 1.31 H new ATOM 0 HH12 ARG A 85 9.287 -4.491 3.690 1.00 1.31 H new ATOM 0 HH21 ARG A 85 7.427 -7.450 4.146 1.00 1.75 H new ATOM 0 HH22 ARG A 85 8.707 -6.415 4.788 1.00 1.75 H new ATOM 1342 N GLU A 86 2.955 -8.917 0.898 1.00 0.38 N ATOM 1343 CA GLU A 86 2.631 -10.238 1.422 1.00 0.36 C ATOM 1344 C GLU A 86 1.625 -10.953 0.528 1.00 0.31 C ATOM 1345 O GLU A 86 1.759 -12.149 0.263 1.00 0.44 O ATOM 1346 CB GLU A 86 2.072 -10.122 2.841 1.00 0.41 C ATOM 1347 CG GLU A 86 3.046 -9.501 3.827 1.00 1.13 C ATOM 1348 CD GLU A 86 2.432 -9.295 5.199 1.00 1.53 C ATOM 1349 OE1 GLU A 86 2.455 -10.247 6.008 1.00 1.91 O ATOM 1350 OE2 GLU A 86 1.929 -8.184 5.463 1.00 1.89 O ATOM 0 H GLU A 86 2.647 -8.145 1.490 1.00 0.38 H new ATOM 0 HA GLU A 86 3.550 -10.825 1.443 1.00 0.36 H new ATOM 0 HB2 GLU A 86 1.161 -9.524 2.816 1.00 0.41 H new ATOM 0 HB3 GLU A 86 1.792 -11.114 3.195 1.00 0.41 H new ATOM 0 HG2 GLU A 86 3.924 -10.141 3.918 1.00 1.13 H new ATOM 0 HG3 GLU A 86 3.389 -8.542 3.439 1.00 1.13 H new ATOM 1357 N GLU A 87 0.616 -10.221 0.068 1.00 0.18 N ATOM 1358 CA GLU A 87 -0.410 -10.794 -0.794 1.00 0.15 C ATOM 1359 C GLU A 87 0.210 -11.429 -2.034 1.00 0.14 C ATOM 1360 O GLU A 87 -0.183 -12.519 -2.440 1.00 0.14 O ATOM 1361 CB GLU A 87 -1.426 -9.728 -1.212 1.00 0.18 C ATOM 1362 CG GLU A 87 -2.358 -9.294 -0.090 1.00 0.24 C ATOM 1363 CD GLU A 87 -3.101 -10.457 0.538 1.00 0.86 C ATOM 1364 OE1 GLU A 87 -4.182 -10.818 0.027 1.00 1.83 O ATOM 1365 OE2 GLU A 87 -2.601 -11.009 1.541 1.00 1.06 O ATOM 0 H GLU A 87 0.487 -9.231 0.278 1.00 0.18 H new ATOM 0 HA GLU A 87 -0.924 -11.568 -0.225 1.00 0.15 H new ATOM 0 HB2 GLU A 87 -0.890 -8.855 -1.585 1.00 0.18 H new ATOM 0 HB3 GLU A 87 -2.023 -10.113 -2.039 1.00 0.18 H new ATOM 0 HG2 GLU A 87 -1.780 -8.780 0.678 1.00 0.24 H new ATOM 0 HG3 GLU A 87 -3.079 -8.576 -0.480 1.00 0.24 H new ATOM 1372 N ALA A 88 1.187 -10.747 -2.625 1.00 0.18 N ATOM 1373 CA ALA A 88 1.848 -11.253 -3.821 1.00 0.17 C ATOM 1374 C ALA A 88 2.479 -12.617 -3.569 1.00 0.17 C ATOM 1375 O ALA A 88 2.436 -13.494 -4.431 1.00 0.18 O ATOM 1376 CB ALA A 88 2.893 -10.270 -4.317 1.00 0.19 C ATOM 0 H ALA A 88 1.536 -9.847 -2.296 1.00 0.18 H new ATOM 0 HA ALA A 88 1.088 -11.370 -4.593 1.00 0.17 H new ATOM 0 HB1 ALA A 88 3.373 -10.669 -5.210 1.00 0.19 H new ATOM 0 HB2 ALA A 88 2.415 -9.320 -4.556 1.00 0.19 H new ATOM 0 HB3 ALA A 88 3.643 -10.114 -3.541 1.00 0.19 H new ATOM 1382 N ILE A 89 3.068 -12.791 -2.391 1.00 0.20 N ATOM 1383 CA ILE A 89 3.691 -14.060 -2.041 1.00 0.23 C ATOM 1384 C ILE A 89 2.654 -15.179 -2.081 1.00 0.24 C ATOM 1385 O ILE A 89 2.952 -16.308 -2.471 1.00 0.31 O ATOM 1386 CB ILE A 89 4.365 -14.001 -0.645 1.00 0.28 C ATOM 1387 CG1 ILE A 89 5.766 -14.621 -0.700 1.00 0.74 C ATOM 1388 CG2 ILE A 89 3.517 -14.695 0.416 1.00 0.60 C ATOM 1389 CD1 ILE A 89 5.778 -16.076 -1.125 1.00 1.52 C ATOM 0 H ILE A 89 3.127 -12.074 -1.668 1.00 0.20 H new ATOM 0 HA ILE A 89 4.471 -14.264 -2.775 1.00 0.23 H new ATOM 0 HB ILE A 89 4.455 -12.952 -0.364 1.00 0.28 H new ATOM 0 HG12 ILE A 89 6.380 -14.045 -1.392 1.00 0.74 H new ATOM 0 HG13 ILE A 89 6.229 -14.536 0.283 1.00 0.74 H new ATOM 0 HG21 ILE A 89 4.020 -14.634 1.381 1.00 0.60 H new ATOM 0 HG22 ILE A 89 2.545 -14.206 0.482 1.00 0.60 H new ATOM 0 HG23 ILE A 89 3.379 -15.742 0.144 1.00 0.60 H new ATOM 0 HD11 ILE A 89 6.804 -16.442 -1.140 1.00 1.52 H new ATOM 0 HD12 ILE A 89 5.192 -16.666 -0.420 1.00 1.52 H new ATOM 0 HD13 ILE A 89 5.346 -16.168 -2.122 1.00 1.52 H new ATOM 1401 N LYS A 90 1.430 -14.849 -1.671 1.00 0.24 N ATOM 1402 CA LYS A 90 0.337 -15.810 -1.662 1.00 0.29 C ATOM 1403 C LYS A 90 -0.373 -15.831 -3.014 1.00 0.30 C ATOM 1404 O LYS A 90 -1.074 -16.787 -3.347 1.00 0.43 O ATOM 1405 CB LYS A 90 -0.661 -15.466 -0.554 1.00 0.35 C ATOM 1406 CG LYS A 90 -0.026 -15.340 0.823 1.00 0.33 C ATOM 1407 CD LYS A 90 0.502 -16.676 1.325 1.00 0.66 C ATOM 1408 CE LYS A 90 -0.630 -17.647 1.625 1.00 1.74 C ATOM 1409 NZ LYS A 90 -0.123 -18.948 2.141 1.00 2.42 N ATOM 0 H LYS A 90 1.174 -13.919 -1.340 1.00 0.24 H new ATOM 0 HA LYS A 90 0.753 -16.800 -1.472 1.00 0.29 H new ATOM 0 HB2 LYS A 90 -1.158 -14.528 -0.803 1.00 0.35 H new ATOM 0 HB3 LYS A 90 -1.432 -16.236 -0.520 1.00 0.35 H new ATOM 0 HG2 LYS A 90 0.790 -14.618 0.783 1.00 0.33 H new ATOM 0 HG3 LYS A 90 -0.761 -14.951 1.528 1.00 0.33 H new ATOM 0 HD2 LYS A 90 1.166 -17.110 0.577 1.00 0.66 H new ATOM 0 HD3 LYS A 90 1.096 -16.518 2.226 1.00 0.66 H new ATOM 0 HE2 LYS A 90 -1.304 -17.204 2.358 1.00 1.74 H new ATOM 0 HE3 LYS A 90 -1.212 -17.818 0.719 1.00 1.74 H new ATOM 0 HZ1 LYS A 90 -0.925 -19.582 2.333 1.00 2.42 H new ATOM 0 HZ2 LYS A 90 0.500 -19.384 1.432 1.00 2.42 H new ATOM 0 HZ3 LYS A 90 0.411 -18.789 3.019 1.00 2.42 H new ATOM 1423 N PHE A 91 -0.183 -14.764 -3.789 1.00 0.18 N ATOM 1424 CA PHE A 91 -0.804 -14.641 -5.104 1.00 0.19 C ATOM 1425 C PHE A 91 0.138 -15.095 -6.219 1.00 0.20 C ATOM 1426 O PHE A 91 -0.234 -15.108 -7.392 1.00 0.26 O ATOM 1427 CB PHE A 91 -1.285 -13.207 -5.331 1.00 0.21 C ATOM 1428 CG PHE A 91 -2.714 -13.011 -4.914 1.00 0.26 C ATOM 1429 CD1 PHE A 91 -3.745 -13.278 -5.801 1.00 0.83 C ATOM 1430 CD2 PHE A 91 -3.029 -12.577 -3.637 1.00 0.73 C ATOM 1431 CE1 PHE A 91 -5.063 -13.115 -5.420 1.00 0.90 C ATOM 1432 CE2 PHE A 91 -4.345 -12.411 -3.251 1.00 0.74 C ATOM 1433 CZ PHE A 91 -5.363 -12.682 -4.145 1.00 0.43 C ATOM 0 H PHE A 91 0.400 -13.969 -3.526 1.00 0.18 H new ATOM 0 HA PHE A 91 -1.669 -15.303 -5.132 1.00 0.19 H new ATOM 0 HB2 PHE A 91 -0.649 -12.520 -4.773 1.00 0.21 H new ATOM 0 HB3 PHE A 91 -1.179 -12.954 -6.386 1.00 0.21 H new ATOM 0 HD1 PHE A 91 -3.516 -13.617 -6.800 1.00 0.83 H new ATOM 0 HD2 PHE A 91 -2.236 -12.366 -2.935 1.00 0.73 H new ATOM 0 HE1 PHE A 91 -5.858 -13.326 -6.120 1.00 0.90 H new ATOM 0 HE2 PHE A 91 -4.578 -12.070 -2.253 1.00 0.74 H new ATOM 0 HZ PHE A 91 -6.393 -12.555 -3.846 1.00 0.43 H new ATOM 1443 N SER A 92 1.357 -15.472 -5.838 1.00 0.20 N ATOM 1444 CA SER A 92 2.360 -15.958 -6.788 1.00 0.23 C ATOM 1445 C SER A 92 2.733 -14.910 -7.840 1.00 0.27 C ATOM 1446 O SER A 92 2.976 -15.248 -8.998 1.00 0.61 O ATOM 1447 CB SER A 92 1.858 -17.227 -7.478 1.00 0.24 C ATOM 1448 OG SER A 92 1.613 -18.257 -6.536 1.00 0.25 O ATOM 0 H SER A 92 1.677 -15.450 -4.870 1.00 0.20 H new ATOM 0 HA SER A 92 3.261 -16.176 -6.215 1.00 0.23 H new ATOM 0 HB2 SER A 92 0.943 -17.008 -8.028 1.00 0.24 H new ATOM 0 HB3 SER A 92 2.595 -17.564 -8.207 1.00 0.24 H new ATOM 0 HG SER A 92 1.291 -19.057 -7.002 1.00 0.25 H new ATOM 1454 N GLU A 93 2.787 -13.645 -7.436 1.00 0.20 N ATOM 1455 CA GLU A 93 3.153 -12.568 -8.355 1.00 0.18 C ATOM 1456 C GLU A 93 4.539 -12.018 -8.027 1.00 0.18 C ATOM 1457 O GLU A 93 4.688 -11.158 -7.157 1.00 0.19 O ATOM 1458 CB GLU A 93 2.117 -11.440 -8.321 1.00 0.19 C ATOM 1459 CG GLU A 93 1.005 -11.601 -9.346 1.00 0.27 C ATOM 1460 CD GLU A 93 0.197 -12.867 -9.151 1.00 0.74 C ATOM 1461 OE1 GLU A 93 0.633 -13.930 -9.638 1.00 0.96 O ATOM 1462 OE2 GLU A 93 -0.876 -12.794 -8.518 1.00 1.46 O ATOM 0 H GLU A 93 2.584 -13.339 -6.484 1.00 0.20 H new ATOM 0 HA GLU A 93 3.175 -12.987 -9.361 1.00 0.18 H new ATOM 0 HB2 GLU A 93 1.677 -11.393 -7.325 1.00 0.19 H new ATOM 0 HB3 GLU A 93 2.622 -10.489 -8.492 1.00 0.19 H new ATOM 0 HG2 GLU A 93 0.339 -10.740 -9.290 1.00 0.27 H new ATOM 0 HG3 GLU A 93 1.438 -11.604 -10.346 1.00 0.27 H new ATOM 1469 N GLU A 94 5.552 -12.528 -8.724 1.00 0.21 N ATOM 1470 CA GLU A 94 6.929 -12.098 -8.509 1.00 0.24 C ATOM 1471 C GLU A 94 7.255 -10.850 -9.326 1.00 0.25 C ATOM 1472 O GLU A 94 7.850 -9.902 -8.814 1.00 0.31 O ATOM 1473 CB GLU A 94 7.900 -13.224 -8.865 1.00 0.28 C ATOM 1474 CG GLU A 94 7.755 -13.729 -10.292 1.00 0.33 C ATOM 1475 CD GLU A 94 8.720 -14.853 -10.612 1.00 0.92 C ATOM 1476 OE1 GLU A 94 9.857 -14.557 -11.036 1.00 1.53 O ATOM 1477 OE2 GLU A 94 8.339 -16.031 -10.438 1.00 1.46 O ATOM 0 H GLU A 94 5.443 -13.242 -9.444 1.00 0.21 H new ATOM 0 HA GLU A 94 7.039 -11.851 -7.453 1.00 0.24 H new ATOM 0 HB2 GLU A 94 8.921 -12.872 -8.716 1.00 0.28 H new ATOM 0 HB3 GLU A 94 7.746 -14.056 -8.177 1.00 0.28 H new ATOM 0 HG2 GLU A 94 6.734 -14.076 -10.449 1.00 0.33 H new ATOM 0 HG3 GLU A 94 7.921 -12.904 -10.984 1.00 0.33 H new ATOM 1484 N GLN A 95 6.866 -10.856 -10.598 1.00 0.25 N ATOM 1485 CA GLN A 95 7.123 -9.722 -11.479 1.00 0.28 C ATOM 1486 C GLN A 95 6.450 -8.464 -10.944 1.00 0.23 C ATOM 1487 O GLN A 95 7.027 -7.376 -10.971 1.00 0.20 O ATOM 1488 CB GLN A 95 6.625 -10.023 -12.895 1.00 0.33 C ATOM 1489 CG GLN A 95 5.149 -10.383 -12.959 1.00 0.73 C ATOM 1490 CD GLN A 95 4.671 -10.638 -14.376 1.00 0.78 C ATOM 1491 OE1 GLN A 95 5.432 -11.092 -15.229 1.00 1.54 O ATOM 1492 NE2 GLN A 95 3.402 -10.340 -14.631 1.00 1.03 N ATOM 0 H GLN A 95 6.373 -11.632 -11.040 1.00 0.25 H new ATOM 0 HA GLN A 95 8.199 -9.553 -11.513 1.00 0.28 H new ATOM 0 HB2 GLN A 95 6.806 -9.153 -13.527 1.00 0.33 H new ATOM 0 HB3 GLN A 95 7.209 -10.845 -13.309 1.00 0.33 H new ATOM 0 HG2 GLN A 95 4.969 -11.271 -12.354 1.00 0.73 H new ATOM 0 HG3 GLN A 95 4.563 -9.575 -12.522 1.00 0.73 H new ATOM 0 HE21 GLN A 95 2.808 -9.965 -13.892 1.00 1.03 H new ATOM 0 HE22 GLN A 95 3.022 -10.486 -15.566 1.00 1.03 H new ATOM 1501 N ARG A 96 5.227 -8.624 -10.451 1.00 0.25 N ATOM 1502 CA ARG A 96 4.470 -7.510 -9.900 1.00 0.22 C ATOM 1503 C ARG A 96 5.240 -6.860 -8.759 1.00 0.20 C ATOM 1504 O ARG A 96 5.024 -5.691 -8.437 1.00 0.26 O ATOM 1505 CB ARG A 96 3.107 -7.998 -9.400 1.00 0.25 C ATOM 1506 CG ARG A 96 1.921 -7.319 -10.070 1.00 0.95 C ATOM 1507 CD ARG A 96 1.582 -5.993 -9.406 1.00 0.63 C ATOM 1508 NE ARG A 96 2.592 -4.972 -9.666 1.00 1.42 N ATOM 1509 CZ ARG A 96 2.315 -3.676 -9.782 1.00 2.22 C ATOM 1510 NH1 ARG A 96 1.065 -3.248 -9.668 1.00 2.57 N ATOM 1511 NH2 ARG A 96 3.289 -2.807 -10.015 1.00 2.99 N ATOM 0 H ARG A 96 4.738 -9.519 -10.422 1.00 0.25 H new ATOM 0 HA ARG A 96 4.317 -6.770 -10.685 1.00 0.22 H new ATOM 0 HB2 ARG A 96 3.036 -9.073 -9.563 1.00 0.25 H new ATOM 0 HB3 ARG A 96 3.046 -7.834 -8.324 1.00 0.25 H new ATOM 0 HG2 ARG A 96 2.145 -7.151 -11.123 1.00 0.95 H new ATOM 0 HG3 ARG A 96 1.054 -7.978 -10.030 1.00 0.95 H new ATOM 0 HD2 ARG A 96 0.614 -5.645 -9.767 1.00 0.63 H new ATOM 0 HD3 ARG A 96 1.486 -6.141 -8.330 1.00 0.63 H new ATOM 0 HE ARG A 96 3.563 -5.268 -9.764 1.00 1.42 H new ATOM 0 HH11 ARG A 96 0.312 -3.913 -9.491 1.00 2.57 H new ATOM 0 HH12 ARG A 96 0.856 -2.254 -9.757 1.00 2.57 H new ATOM 0 HH21 ARG A 96 4.252 -3.132 -10.105 1.00 2.99 H new ATOM 0 HH22 ARG A 96 3.076 -1.814 -10.104 1.00 2.99 H new ATOM 1525 N PHE A 97 6.151 -7.621 -8.158 1.00 0.27 N ATOM 1526 CA PHE A 97 6.945 -7.117 -7.051 1.00 0.31 C ATOM 1527 C PHE A 97 7.996 -6.128 -7.543 1.00 0.25 C ATOM 1528 O PHE A 97 7.989 -4.956 -7.155 1.00 0.22 O ATOM 1529 CB PHE A 97 7.612 -8.270 -6.298 1.00 0.45 C ATOM 1530 CG PHE A 97 7.975 -7.938 -4.875 1.00 0.48 C ATOM 1531 CD1 PHE A 97 8.982 -7.028 -4.594 1.00 0.94 C ATOM 1532 CD2 PHE A 97 7.307 -8.540 -3.820 1.00 1.29 C ATOM 1533 CE1 PHE A 97 9.316 -6.725 -3.288 1.00 0.92 C ATOM 1534 CE2 PHE A 97 7.636 -8.240 -2.513 1.00 1.39 C ATOM 1535 CZ PHE A 97 8.643 -7.332 -2.245 1.00 0.67 C ATOM 0 H PHE A 97 6.354 -8.585 -8.421 1.00 0.27 H new ATOM 0 HA PHE A 97 6.277 -6.595 -6.366 1.00 0.31 H new ATOM 0 HB2 PHE A 97 6.942 -9.129 -6.301 1.00 0.45 H new ATOM 0 HB3 PHE A 97 8.514 -8.567 -6.833 1.00 0.45 H new ATOM 0 HD1 PHE A 97 9.512 -6.550 -5.405 1.00 0.94 H new ATOM 0 HD2 PHE A 97 6.520 -9.252 -4.023 1.00 1.29 H new ATOM 0 HE1 PHE A 97 10.103 -6.014 -3.082 1.00 0.92 H new ATOM 0 HE2 PHE A 97 7.107 -8.715 -1.700 1.00 1.39 H new ATOM 0 HZ PHE A 97 8.903 -7.098 -1.223 1.00 0.67 H new ATOM 1545 N ASN A 98 8.894 -6.596 -8.403 1.00 0.28 N ATOM 1546 CA ASN A 98 9.930 -5.732 -8.945 1.00 0.26 C ATOM 1547 C ASN A 98 9.298 -4.627 -9.768 1.00 0.21 C ATOM 1548 O ASN A 98 9.915 -3.596 -10.024 1.00 0.21 O ATOM 1549 CB ASN A 98 10.919 -6.529 -9.801 1.00 0.34 C ATOM 1550 CG ASN A 98 10.228 -7.456 -10.778 1.00 0.43 C ATOM 1551 OD1 ASN A 98 10.022 -8.701 -10.364 1.00 1.03 O flip ATOM 1552 ND2 ASN A 98 9.888 -7.062 -11.894 1.00 1.22 N flip ATOM 0 H ASN A 98 8.924 -7.560 -8.736 1.00 0.28 H new ATOM 0 HA ASN A 98 10.482 -5.292 -8.114 1.00 0.26 H new ATOM 0 HB2 ASN A 98 11.557 -5.837 -10.351 1.00 0.34 H new ATOM 0 HB3 ASN A 98 11.569 -7.113 -9.150 1.00 0.34 H new ATOM 0 HD21 ASN A 98 10.066 -6.096 -12.170 1.00 1.22 H new ATOM 0 HD22 ASN A 98 9.428 -7.701 -12.542 1.00 1.22 H new ATOM 1559 N ASN A 99 8.057 -4.846 -10.183 1.00 0.18 N ATOM 1560 CA ASN A 99 7.349 -3.857 -10.972 1.00 0.20 C ATOM 1561 C ASN A 99 6.882 -2.699 -10.103 1.00 0.19 C ATOM 1562 O ASN A 99 7.176 -1.546 -10.404 1.00 0.24 O ATOM 1563 CB ASN A 99 6.159 -4.493 -11.693 1.00 0.22 C ATOM 1564 CG ASN A 99 5.429 -3.509 -12.589 1.00 0.63 C ATOM 1565 OD1 ASN A 99 6.166 -2.562 -13.160 1.00 1.41 O flip ATOM 1566 ND2 ASN A 99 4.215 -3.603 -12.772 1.00 1.14 N flip ATOM 0 H ASN A 99 7.526 -5.695 -9.986 1.00 0.18 H new ATOM 0 HA ASN A 99 8.040 -3.467 -11.719 1.00 0.20 H new ATOM 0 HB2 ASN A 99 6.508 -5.334 -12.291 1.00 0.22 H new ATOM 0 HB3 ASN A 99 5.463 -4.893 -10.956 1.00 0.22 H new ATOM 0 HD21 ASN A 99 3.686 -4.345 -12.314 1.00 1.14 H new ATOM 0 HD22 ASN A 99 3.738 -2.939 -13.382 1.00 1.14 H new ATOM 1573 N PHE A 100 6.169 -2.995 -9.018 1.00 0.18 N ATOM 1574 CA PHE A 100 5.683 -1.934 -8.144 1.00 0.23 C ATOM 1575 C PHE A 100 6.843 -1.211 -7.498 1.00 0.18 C ATOM 1576 O PHE A 100 6.780 -0.011 -7.251 1.00 0.21 O ATOM 1577 CB PHE A 100 4.734 -2.483 -7.058 1.00 0.38 C ATOM 1578 CG PHE A 100 5.426 -3.104 -5.860 1.00 1.36 C ATOM 1579 CD1 PHE A 100 6.120 -2.321 -4.946 1.00 1.99 C ATOM 1580 CD2 PHE A 100 5.377 -4.470 -5.648 1.00 2.09 C ATOM 1581 CE1 PHE A 100 6.750 -2.887 -3.854 1.00 2.95 C ATOM 1582 CE2 PHE A 100 6.003 -5.042 -4.554 1.00 3.08 C ATOM 1583 CZ PHE A 100 6.692 -4.250 -3.658 1.00 3.43 C ATOM 0 H PHE A 100 5.920 -3.941 -8.728 1.00 0.18 H new ATOM 0 HA PHE A 100 5.120 -1.233 -8.760 1.00 0.23 H new ATOM 0 HB2 PHE A 100 4.095 -1.671 -6.710 1.00 0.38 H new ATOM 0 HB3 PHE A 100 4.082 -3.230 -7.510 1.00 0.38 H new ATOM 0 HD1 PHE A 100 6.168 -1.252 -5.091 1.00 1.99 H new ATOM 0 HD2 PHE A 100 4.843 -5.099 -6.345 1.00 2.09 H new ATOM 0 HE1 PHE A 100 7.287 -2.262 -3.155 1.00 2.95 H new ATOM 0 HE2 PHE A 100 5.952 -6.110 -4.401 1.00 3.08 H new ATOM 0 HZ PHE A 100 7.184 -4.697 -2.807 1.00 3.43 H new ATOM 1593 N LEU A 101 7.904 -1.953 -7.225 1.00 0.18 N ATOM 1594 CA LEU A 101 9.067 -1.389 -6.576 1.00 0.21 C ATOM 1595 C LEU A 101 9.869 -0.516 -7.514 1.00 0.20 C ATOM 1596 O LEU A 101 10.186 0.628 -7.185 1.00 0.21 O ATOM 1597 CB LEU A 101 9.940 -2.515 -6.027 1.00 0.28 C ATOM 1598 CG LEU A 101 11.017 -2.122 -5.004 1.00 0.35 C ATOM 1599 CD1 LEU A 101 10.720 -0.782 -4.341 1.00 0.92 C ATOM 1600 CD2 LEU A 101 11.116 -3.224 -3.962 1.00 0.92 C ATOM 0 H LEU A 101 7.980 -2.946 -7.444 1.00 0.18 H new ATOM 0 HA LEU A 101 8.723 -0.755 -5.758 1.00 0.21 H new ATOM 0 HB2 LEU A 101 9.288 -3.256 -5.565 1.00 0.28 H new ATOM 0 HB3 LEU A 101 10.432 -3.004 -6.868 1.00 0.28 H new ATOM 0 HG LEU A 101 11.968 -2.006 -5.524 1.00 0.35 H new ATOM 0 HD11 LEU A 101 11.509 -0.547 -3.626 1.00 0.92 H new ATOM 0 HD12 LEU A 101 10.675 -0.002 -5.101 1.00 0.92 H new ATOM 0 HD13 LEU A 101 9.764 -0.837 -3.821 1.00 0.92 H new ATOM 0 HD21 LEU A 101 11.877 -2.962 -3.227 1.00 0.92 H new ATOM 0 HD22 LEU A 101 10.154 -3.341 -3.463 1.00 0.92 H new ATOM 0 HD23 LEU A 101 11.389 -4.161 -4.448 1.00 0.92 H new ATOM 1612 N LYS A 102 10.192 -1.037 -8.689 1.00 0.20 N ATOM 1613 CA LYS A 102 10.981 -0.266 -9.621 1.00 0.23 C ATOM 1614 C LYS A 102 10.144 0.840 -10.217 1.00 0.22 C ATOM 1615 O LYS A 102 10.678 1.833 -10.712 1.00 0.26 O ATOM 1616 CB LYS A 102 11.576 -1.145 -10.729 1.00 0.27 C ATOM 1617 CG LYS A 102 12.546 -2.222 -10.244 1.00 0.28 C ATOM 1618 CD LYS A 102 13.426 -1.744 -9.097 1.00 0.33 C ATOM 1619 CE LYS A 102 12.843 -2.146 -7.766 1.00 1.44 C ATOM 1620 NZ LYS A 102 12.798 -3.625 -7.595 1.00 2.40 N ATOM 0 H LYS A 102 9.925 -1.968 -9.009 1.00 0.20 H new ATOM 0 HA LYS A 102 11.814 0.171 -9.070 1.00 0.23 H new ATOM 0 HB2 LYS A 102 10.760 -1.627 -11.268 1.00 0.27 H new ATOM 0 HB3 LYS A 102 12.094 -0.504 -11.442 1.00 0.27 H new ATOM 0 HG2 LYS A 102 11.981 -3.097 -9.923 1.00 0.28 H new ATOM 0 HG3 LYS A 102 13.178 -2.538 -11.074 1.00 0.28 H new ATOM 0 HD2 LYS A 102 14.426 -2.164 -9.202 1.00 0.33 H new ATOM 0 HD3 LYS A 102 13.529 -0.660 -9.140 1.00 0.33 H new ATOM 0 HE2 LYS A 102 13.436 -1.707 -6.964 1.00 1.44 H new ATOM 0 HE3 LYS A 102 11.835 -1.741 -7.675 1.00 1.44 H new ATOM 0 HZ1 LYS A 102 12.535 -3.853 -6.615 1.00 2.40 H new ATOM 0 HZ2 LYS A 102 12.094 -4.028 -8.245 1.00 2.40 H new ATOM 0 HZ3 LYS A 102 13.734 -4.027 -7.805 1.00 2.40 H new ATOM 1634 N ALA A 103 8.827 0.683 -10.153 1.00 0.19 N ATOM 1635 CA ALA A 103 7.954 1.693 -10.698 1.00 0.21 C ATOM 1636 C ALA A 103 7.724 2.809 -9.696 1.00 0.18 C ATOM 1637 O ALA A 103 7.809 3.990 -10.041 1.00 0.20 O ATOM 1638 CB ALA A 103 6.630 1.099 -11.159 1.00 0.24 C ATOM 0 H ALA A 103 8.356 -0.120 -9.736 1.00 0.19 H new ATOM 0 HA ALA A 103 8.448 2.115 -11.573 1.00 0.21 H new ATOM 0 HB1 ALA A 103 5.998 1.889 -11.564 1.00 0.24 H new ATOM 0 HB2 ALA A 103 6.815 0.352 -11.931 1.00 0.24 H new ATOM 0 HB3 ALA A 103 6.127 0.630 -10.313 1.00 0.24 H new ATOM 1644 N LEU A 104 7.445 2.448 -8.448 1.00 0.16 N ATOM 1645 CA LEU A 104 7.224 3.461 -7.436 1.00 0.16 C ATOM 1646 C LEU A 104 8.507 4.248 -7.238 1.00 0.16 C ATOM 1647 O LEU A 104 8.472 5.466 -7.087 1.00 0.16 O ATOM 1648 CB LEU A 104 6.728 2.856 -6.110 1.00 0.19 C ATOM 1649 CG LEU A 104 7.737 2.014 -5.321 1.00 0.19 C ATOM 1650 CD1 LEU A 104 8.666 2.893 -4.502 1.00 0.23 C ATOM 1651 CD2 LEU A 104 7.009 1.036 -4.412 1.00 0.24 C ATOM 0 H LEU A 104 7.369 1.484 -8.123 1.00 0.16 H new ATOM 0 HA LEU A 104 6.435 4.131 -7.778 1.00 0.16 H new ATOM 0 HB2 LEU A 104 6.389 3.670 -5.470 1.00 0.19 H new ATOM 0 HB3 LEU A 104 5.858 2.235 -6.323 1.00 0.19 H new ATOM 0 HG LEU A 104 8.341 1.456 -6.037 1.00 0.19 H new ATOM 0 HD11 LEU A 104 9.370 2.267 -3.954 1.00 0.23 H new ATOM 0 HD12 LEU A 104 9.215 3.560 -5.166 1.00 0.23 H new ATOM 0 HD13 LEU A 104 8.081 3.484 -3.797 1.00 0.23 H new ATOM 0 HD21 LEU A 104 7.737 0.444 -3.857 1.00 0.24 H new ATOM 0 HD22 LEU A 104 6.381 1.588 -3.712 1.00 0.24 H new ATOM 0 HD23 LEU A 104 6.386 0.374 -5.014 1.00 0.24 H new ATOM 1663 N GLN A 105 9.643 3.547 -7.279 1.00 0.18 N ATOM 1664 CA GLN A 105 10.934 4.196 -7.112 1.00 0.22 C ATOM 1665 C GLN A 105 11.267 5.068 -8.309 1.00 0.24 C ATOM 1666 O GLN A 105 11.572 6.249 -8.146 1.00 0.26 O ATOM 1667 CB GLN A 105 12.031 3.164 -6.863 1.00 0.27 C ATOM 1668 CG GLN A 105 13.394 3.546 -7.424 1.00 0.35 C ATOM 1669 CD GLN A 105 13.924 4.849 -6.856 1.00 1.13 C ATOM 1670 OE1 GLN A 105 13.588 5.233 -5.740 1.00 1.76 O ATOM 1671 NE2 GLN A 105 14.759 5.535 -7.628 1.00 1.92 N ATOM 0 H GLN A 105 9.690 2.539 -7.425 1.00 0.18 H new ATOM 0 HA GLN A 105 10.874 4.843 -6.237 1.00 0.22 H new ATOM 0 HB2 GLN A 105 12.126 3.004 -5.789 1.00 0.27 H new ATOM 0 HB3 GLN A 105 11.725 2.214 -7.301 1.00 0.27 H new ATOM 0 HG2 GLN A 105 14.105 2.748 -7.212 1.00 0.35 H new ATOM 0 HG3 GLN A 105 13.324 3.630 -8.508 1.00 0.35 H new ATOM 0 HE21 GLN A 105 15.011 5.178 -8.550 1.00 1.92 H new ATOM 0 HE22 GLN A 105 15.148 6.419 -7.299 1.00 1.92 H new ATOM 1680 N GLU A 106 11.226 4.498 -9.512 1.00 0.25 N ATOM 1681 CA GLU A 106 11.511 5.288 -10.698 1.00 0.29 C ATOM 1682 C GLU A 106 10.660 6.545 -10.652 1.00 0.29 C ATOM 1683 O GLU A 106 11.072 7.608 -11.110 1.00 0.35 O ATOM 1684 CB GLU A 106 11.236 4.500 -11.980 1.00 0.31 C ATOM 1685 CG GLU A 106 9.761 4.297 -12.260 1.00 0.29 C ATOM 1686 CD GLU A 106 9.505 3.665 -13.614 1.00 0.33 C ATOM 1687 OE1 GLU A 106 9.463 2.419 -13.689 1.00 0.31 O ATOM 1688 OE2 GLU A 106 9.346 4.415 -14.599 1.00 0.41 O ATOM 0 H GLU A 106 11.004 3.518 -9.685 1.00 0.25 H new ATOM 0 HA GLU A 106 12.569 5.549 -10.707 1.00 0.29 H new ATOM 0 HB2 GLU A 106 11.689 5.023 -12.822 1.00 0.31 H new ATOM 0 HB3 GLU A 106 11.722 3.527 -11.910 1.00 0.31 H new ATOM 0 HG2 GLU A 106 9.331 3.666 -11.482 1.00 0.29 H new ATOM 0 HG3 GLU A 106 9.250 5.258 -12.210 1.00 0.29 H new ATOM 1695 N LYS A 107 9.465 6.414 -10.071 1.00 0.23 N ATOM 1696 CA LYS A 107 8.568 7.543 -9.936 1.00 0.23 C ATOM 1697 C LYS A 107 9.135 8.552 -8.935 1.00 0.24 C ATOM 1698 O LYS A 107 9.150 9.753 -9.205 1.00 0.30 O ATOM 1699 CB LYS A 107 7.180 7.074 -9.497 1.00 0.22 C ATOM 1700 CG LYS A 107 6.256 8.209 -9.084 1.00 0.62 C ATOM 1701 CD LYS A 107 4.888 7.698 -8.662 1.00 1.05 C ATOM 1702 CE LYS A 107 4.991 6.663 -7.552 1.00 1.11 C ATOM 1703 NZ LYS A 107 6.002 7.046 -6.529 1.00 2.14 N ATOM 0 H LYS A 107 9.106 5.538 -9.691 1.00 0.23 H new ATOM 0 HA LYS A 107 8.474 8.031 -10.906 1.00 0.23 H new ATOM 0 HB2 LYS A 107 6.718 6.519 -10.314 1.00 0.22 H new ATOM 0 HB3 LYS A 107 7.287 6.382 -8.662 1.00 0.22 H new ATOM 0 HG2 LYS A 107 6.707 8.763 -8.261 1.00 0.62 H new ATOM 0 HG3 LYS A 107 6.143 8.906 -9.914 1.00 0.62 H new ATOM 0 HD2 LYS A 107 4.276 8.534 -8.324 1.00 1.05 H new ATOM 0 HD3 LYS A 107 4.382 7.260 -9.522 1.00 1.05 H new ATOM 0 HE2 LYS A 107 4.018 6.544 -7.075 1.00 1.11 H new ATOM 0 HE3 LYS A 107 5.256 5.696 -7.980 1.00 1.11 H new ATOM 0 HZ1 LYS A 107 5.797 6.553 -5.637 1.00 2.14 H new ATOM 0 HZ2 LYS A 107 6.951 6.780 -6.862 1.00 2.14 H new ATOM 0 HZ3 LYS A 107 5.966 8.074 -6.373 1.00 2.14 H new ATOM 1717 N VAL A 108 9.599 8.065 -7.774 1.00 0.22 N ATOM 1718 CA VAL A 108 10.181 8.956 -6.769 1.00 0.26 C ATOM 1719 C VAL A 108 11.391 9.668 -7.366 1.00 0.33 C ATOM 1720 O VAL A 108 11.798 10.730 -6.902 1.00 0.40 O ATOM 1721 CB VAL A 108 10.608 8.222 -5.464 1.00 0.26 C ATOM 1722 CG1 VAL A 108 9.696 7.053 -5.148 1.00 0.22 C ATOM 1723 CG2 VAL A 108 12.062 7.775 -5.526 1.00 0.28 C ATOM 0 H VAL A 108 9.582 7.079 -7.514 1.00 0.22 H new ATOM 0 HA VAL A 108 9.404 9.668 -6.491 1.00 0.26 H new ATOM 0 HB VAL A 108 10.512 8.942 -4.651 1.00 0.26 H new ATOM 0 HG11 VAL A 108 10.030 6.569 -4.230 1.00 0.22 H new ATOM 0 HG12 VAL A 108 8.675 7.413 -5.018 1.00 0.22 H new ATOM 0 HG13 VAL A 108 9.727 6.336 -5.968 1.00 0.22 H new ATOM 0 HG21 VAL A 108 12.326 7.266 -4.599 1.00 0.28 H new ATOM 0 HG22 VAL A 108 12.197 7.093 -6.365 1.00 0.28 H new ATOM 0 HG23 VAL A 108 12.705 8.645 -5.658 1.00 0.28 H new ATOM 1733 N GLU A 109 11.963 9.054 -8.403 1.00 0.38 N ATOM 1734 CA GLU A 109 13.118 9.614 -9.094 1.00 0.48 C ATOM 1735 C GLU A 109 12.691 10.785 -9.970 1.00 0.45 C ATOM 1736 O GLU A 109 13.226 11.888 -9.857 1.00 0.45 O ATOM 1737 CB GLU A 109 13.790 8.541 -9.952 1.00 0.62 C ATOM 1738 CG GLU A 109 15.082 8.999 -10.608 1.00 1.29 C ATOM 1739 CD GLU A 109 16.160 9.341 -9.597 1.00 1.62 C ATOM 1740 OE1 GLU A 109 16.914 8.428 -9.201 1.00 1.75 O ATOM 1741 OE2 GLU A 109 16.252 10.523 -9.204 1.00 2.41 O ATOM 0 H GLU A 109 11.640 8.164 -8.782 1.00 0.38 H new ATOM 0 HA GLU A 109 13.830 9.971 -8.350 1.00 0.48 H new ATOM 0 HB2 GLU A 109 13.998 7.670 -9.331 1.00 0.62 H new ATOM 0 HB3 GLU A 109 13.094 8.220 -10.727 1.00 0.62 H new ATOM 0 HG2 GLU A 109 15.447 8.214 -11.271 1.00 1.29 H new ATOM 0 HG3 GLU A 109 14.881 9.872 -11.228 1.00 1.29 H new ATOM 1748 N ILE A 110 11.724 10.529 -10.850 1.00 0.44 N ATOM 1749 CA ILE A 110 11.206 11.558 -11.745 1.00 0.42 C ATOM 1750 C ILE A 110 10.757 12.782 -10.950 1.00 0.39 C ATOM 1751 O ILE A 110 11.049 13.920 -11.319 1.00 0.45 O ATOM 1752 CB ILE A 110 10.026 11.018 -12.586 1.00 0.42 C ATOM 1753 CG1 ILE A 110 10.537 10.296 -13.841 1.00 0.51 C ATOM 1754 CG2 ILE A 110 9.072 12.140 -12.980 1.00 0.42 C ATOM 1755 CD1 ILE A 110 11.525 9.183 -13.562 1.00 0.55 C ATOM 0 H ILE A 110 11.284 9.616 -10.961 1.00 0.44 H new ATOM 0 HA ILE A 110 12.010 11.848 -12.421 1.00 0.42 H new ATOM 0 HB ILE A 110 9.480 10.304 -11.969 1.00 0.42 H new ATOM 0 HG12 ILE A 110 9.685 9.882 -14.380 1.00 0.51 H new ATOM 0 HG13 ILE A 110 11.007 11.026 -14.500 1.00 0.51 H new ATOM 0 HG21 ILE A 110 8.253 11.730 -13.570 1.00 0.42 H new ATOM 0 HG22 ILE A 110 8.672 12.610 -12.081 1.00 0.42 H new ATOM 0 HG23 ILE A 110 9.608 12.883 -13.570 1.00 0.42 H new ATOM 0 HD11 ILE A 110 11.834 8.727 -14.502 1.00 0.55 H new ATOM 0 HD12 ILE A 110 12.398 9.591 -13.052 1.00 0.55 H new ATOM 0 HD13 ILE A 110 11.055 8.429 -12.930 1.00 0.55 H new ATOM 1767 N LYS A 111 10.045 12.533 -9.856 1.00 0.36 N ATOM 1768 CA LYS A 111 9.554 13.599 -8.993 1.00 0.37 C ATOM 1769 C LYS A 111 10.339 13.632 -7.686 1.00 0.40 C ATOM 1770 O LYS A 111 11.472 13.159 -7.619 1.00 0.48 O ATOM 1771 CB LYS A 111 8.066 13.398 -8.694 1.00 0.39 C ATOM 1772 CG LYS A 111 7.142 14.073 -9.692 1.00 0.51 C ATOM 1773 CD LYS A 111 5.810 14.432 -9.052 1.00 0.65 C ATOM 1774 CE LYS A 111 5.025 13.191 -8.650 1.00 0.67 C ATOM 1775 NZ LYS A 111 3.718 13.538 -8.030 1.00 1.28 N ATOM 0 H LYS A 111 9.794 11.594 -9.545 1.00 0.36 H new ATOM 0 HA LYS A 111 9.689 14.548 -9.512 1.00 0.37 H new ATOM 0 HB2 LYS A 111 7.850 12.330 -8.678 1.00 0.39 H new ATOM 0 HB3 LYS A 111 7.851 13.782 -7.697 1.00 0.39 H new ATOM 0 HG2 LYS A 111 7.617 14.974 -10.080 1.00 0.51 H new ATOM 0 HG3 LYS A 111 6.974 13.411 -10.541 1.00 0.51 H new ATOM 0 HD2 LYS A 111 5.984 15.053 -8.173 1.00 0.65 H new ATOM 0 HD3 LYS A 111 5.219 15.026 -9.750 1.00 0.65 H new ATOM 0 HE2 LYS A 111 4.856 12.568 -9.528 1.00 0.67 H new ATOM 0 HE3 LYS A 111 5.614 12.600 -7.949 1.00 0.67 H new ATOM 0 HZ1 LYS A 111 3.214 12.666 -7.771 1.00 1.28 H new ATOM 0 HZ2 LYS A 111 3.880 14.111 -7.177 1.00 1.28 H new ATOM 0 HZ3 LYS A 111 3.145 14.080 -8.708 1.00 1.28 H new ATOM 1789 N GLN A 112 9.732 14.210 -6.654 1.00 0.43 N ATOM 1790 CA GLN A 112 10.360 14.288 -5.344 1.00 0.56 C ATOM 1791 C GLN A 112 9.964 13.083 -4.505 1.00 0.65 C ATOM 1792 O GLN A 112 10.209 11.945 -4.903 1.00 1.51 O ATOM 1793 CB GLN A 112 9.968 15.594 -4.647 1.00 0.66 C ATOM 1794 CG GLN A 112 10.669 16.820 -5.207 1.00 0.69 C ATOM 1795 CD GLN A 112 10.296 18.095 -4.474 1.00 1.29 C ATOM 1796 OE1 GLN A 112 9.069 18.154 -3.967 1.00 2.15 O flip ATOM 1797 NE2 GLN A 112 11.103 19.018 -4.364 1.00 2.03 N flip ATOM 0 H GLN A 112 8.804 14.631 -6.702 1.00 0.43 H new ATOM 0 HA GLN A 112 11.443 14.280 -5.466 1.00 0.56 H new ATOM 0 HB2 GLN A 112 8.890 15.732 -4.733 1.00 0.66 H new ATOM 0 HB3 GLN A 112 10.195 15.510 -3.584 1.00 0.66 H new ATOM 0 HG2 GLN A 112 11.748 16.675 -5.149 1.00 0.69 H new ATOM 0 HG3 GLN A 112 10.418 16.926 -6.262 1.00 0.69 H new ATOM 0 HE21 GLN A 112 12.035 18.931 -4.769 1.00 2.03 H new ATOM 0 HE22 GLN A 112 10.839 19.870 -3.868 1.00 2.03 H new ATOM 1806 N LEU A 113 9.373 13.333 -3.340 1.00 0.37 N ATOM 1807 CA LEU A 113 8.913 12.257 -2.478 1.00 0.29 C ATOM 1808 C LEU A 113 10.063 11.423 -1.941 1.00 0.30 C ATOM 1809 O LEU A 113 9.855 10.302 -1.476 1.00 0.44 O ATOM 1810 CB LEU A 113 7.951 11.363 -3.248 1.00 0.24 C ATOM 1811 CG LEU A 113 6.625 12.010 -3.631 1.00 0.21 C ATOM 1812 CD1 LEU A 113 5.833 12.375 -2.385 1.00 0.21 C ATOM 1813 CD2 LEU A 113 6.827 13.234 -4.512 1.00 0.36 C ATOM 0 H LEU A 113 9.203 14.270 -2.975 1.00 0.37 H new ATOM 0 HA LEU A 113 8.407 12.710 -1.625 1.00 0.29 H new ATOM 0 HB2 LEU A 113 8.446 11.023 -4.157 1.00 0.24 H new ATOM 0 HB3 LEU A 113 7.744 10.477 -2.647 1.00 0.24 H new ATOM 0 HG LEU A 113 6.058 11.281 -4.209 1.00 0.21 H new ATOM 0 HD11 LEU A 113 4.889 12.836 -2.676 1.00 0.21 H new ATOM 0 HD12 LEU A 113 5.633 11.475 -1.804 1.00 0.21 H new ATOM 0 HD13 LEU A 113 6.408 13.077 -1.781 1.00 0.21 H new ATOM 0 HD21 LEU A 113 5.858 13.666 -4.763 1.00 0.36 H new ATOM 0 HD22 LEU A 113 7.426 13.972 -3.978 1.00 0.36 H new ATOM 0 HD23 LEU A 113 7.342 12.942 -5.427 1.00 0.36 H new ATOM 1825 N ASN A 114 11.275 11.957 -2.007 1.00 0.19 N ATOM 1826 CA ASN A 114 12.435 11.235 -1.511 1.00 0.18 C ATOM 1827 C ASN A 114 12.228 10.839 -0.059 1.00 0.16 C ATOM 1828 O ASN A 114 12.830 9.883 0.420 1.00 0.18 O ATOM 1829 CB ASN A 114 13.702 12.076 -1.655 1.00 0.20 C ATOM 1830 CG ASN A 114 13.938 12.531 -3.083 1.00 0.27 C ATOM 1831 OD1 ASN A 114 13.484 13.601 -3.489 1.00 1.10 O ATOM 1832 ND2 ASN A 114 14.651 11.717 -3.853 1.00 1.22 N ATOM 0 H ASN A 114 11.478 12.878 -2.395 1.00 0.19 H new ATOM 0 HA ASN A 114 12.555 10.331 -2.109 1.00 0.18 H new ATOM 0 HB2 ASN A 114 13.631 12.949 -1.006 1.00 0.20 H new ATOM 0 HB3 ASN A 114 14.560 11.496 -1.315 1.00 0.20 H new ATOM 0 HD21 ASN A 114 14.842 11.969 -4.823 1.00 1.22 H new ATOM 0 HD22 ASN A 114 15.008 10.840 -3.475 1.00 1.22 H new ATOM 1839 N HIS A 115 11.379 11.587 0.644 1.00 0.16 N ATOM 1840 CA HIS A 115 11.072 11.277 2.033 1.00 0.14 C ATOM 1841 C HIS A 115 10.445 9.892 2.095 1.00 0.13 C ATOM 1842 O HIS A 115 10.779 9.071 2.954 1.00 0.12 O ATOM 1843 CB HIS A 115 10.127 12.321 2.620 1.00 0.15 C ATOM 1844 CG HIS A 115 10.654 13.720 2.543 1.00 0.28 C ATOM 1845 ND1 HIS A 115 10.121 14.679 1.705 1.00 1.33 N ATOM 1846 CD2 HIS A 115 11.670 14.323 3.204 1.00 0.92 C ATOM 1847 CE1 HIS A 115 10.789 15.809 1.854 1.00 1.14 C ATOM 1848 NE2 HIS A 115 11.731 15.621 2.758 1.00 0.51 N ATOM 0 H HIS A 115 10.896 12.406 0.275 1.00 0.16 H new ATOM 0 HA HIS A 115 11.988 11.292 2.623 1.00 0.14 H new ATOM 0 HB2 HIS A 115 9.174 12.272 2.094 1.00 0.15 H new ATOM 0 HB3 HIS A 115 9.929 12.074 3.663 1.00 0.15 H new ATOM 0 HD2 HIS A 115 12.312 13.869 3.944 1.00 0.92 H new ATOM 0 HE1 HIS A 115 10.596 16.731 1.325 1.00 1.14 H new ATOM 0 HE2 HIS A 115 12.397 16.326 3.075 1.00 0.51 H new ATOM 1857 N PHE A 116 9.519 9.644 1.174 1.00 0.13 N ATOM 1858 CA PHE A 116 8.885 8.343 1.075 1.00 0.13 C ATOM 1859 C PHE A 116 9.981 7.316 0.844 1.00 0.12 C ATOM 1860 O PHE A 116 9.982 6.227 1.423 1.00 0.16 O ATOM 1861 CB PHE A 116 7.871 8.335 -0.074 1.00 0.15 C ATOM 1862 CG PHE A 116 7.596 6.971 -0.639 1.00 0.11 C ATOM 1863 CD1 PHE A 116 7.012 5.985 0.139 1.00 0.73 C ATOM 1864 CD2 PHE A 116 7.920 6.678 -1.953 1.00 0.73 C ATOM 1865 CE1 PHE A 116 6.759 4.731 -0.385 1.00 0.72 C ATOM 1866 CE2 PHE A 116 7.670 5.429 -2.480 1.00 0.77 C ATOM 1867 CZ PHE A 116 7.088 4.453 -1.695 1.00 0.21 C ATOM 0 H PHE A 116 9.195 10.327 0.490 1.00 0.13 H new ATOM 0 HA PHE A 116 8.340 8.106 1.989 1.00 0.13 H new ATOM 0 HB2 PHE A 116 6.934 8.766 0.279 1.00 0.15 H new ATOM 0 HB3 PHE A 116 8.238 8.980 -0.872 1.00 0.15 H new ATOM 0 HD1 PHE A 116 6.752 6.198 1.165 1.00 0.73 H new ATOM 0 HD2 PHE A 116 8.374 7.437 -2.572 1.00 0.73 H new ATOM 0 HE1 PHE A 116 6.304 3.970 0.231 1.00 0.72 H new ATOM 0 HE2 PHE A 116 7.929 5.214 -3.506 1.00 0.77 H new ATOM 0 HZ PHE A 116 6.891 3.474 -2.106 1.00 0.21 H new ATOM 1877 N TRP A 117 10.931 7.698 0.001 1.00 0.14 N ATOM 1878 CA TRP A 117 12.071 6.854 -0.300 1.00 0.15 C ATOM 1879 C TRP A 117 12.897 6.659 0.968 1.00 0.15 C ATOM 1880 O TRP A 117 13.499 5.606 1.171 1.00 0.19 O ATOM 1881 CB TRP A 117 12.910 7.493 -1.416 1.00 0.19 C ATOM 1882 CG TRP A 117 14.347 7.061 -1.443 1.00 0.33 C ATOM 1883 CD1 TRP A 117 15.395 7.664 -0.808 1.00 0.47 C ATOM 1884 CD2 TRP A 117 14.897 5.947 -2.153 1.00 0.50 C ATOM 1885 NE1 TRP A 117 16.562 6.992 -1.078 1.00 0.60 N ATOM 1886 CE2 TRP A 117 16.283 5.934 -1.904 1.00 0.61 C ATOM 1887 CE3 TRP A 117 14.354 4.957 -2.976 1.00 0.67 C ATOM 1888 CZ2 TRP A 117 17.130 4.972 -2.448 1.00 0.80 C ATOM 1889 CZ3 TRP A 117 15.195 4.002 -3.516 1.00 0.88 C ATOM 1890 CH2 TRP A 117 16.570 4.016 -3.250 1.00 0.92 C ATOM 0 H TRP A 117 10.931 8.593 -0.487 1.00 0.14 H new ATOM 0 HA TRP A 117 11.733 5.878 -0.649 1.00 0.15 H new ATOM 0 HB2 TRP A 117 12.454 7.254 -2.377 1.00 0.19 H new ATOM 0 HB3 TRP A 117 12.872 8.577 -1.306 1.00 0.19 H new ATOM 0 HD1 TRP A 117 15.317 8.542 -0.184 1.00 0.47 H new ATOM 0 HE1 TRP A 117 17.485 7.240 -0.722 1.00 0.60 H new ATOM 0 HE3 TRP A 117 13.295 4.938 -3.187 1.00 0.67 H new ATOM 0 HZ2 TRP A 117 18.191 4.980 -2.244 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 14.785 3.233 -4.153 1.00 0.88 H new ATOM 0 HH2 TRP A 117 17.201 3.256 -3.687 1.00 0.92 H new ATOM 1901 N GLU A 118 12.900 7.680 1.833 1.00 0.14 N ATOM 1902 CA GLU A 118 13.643 7.614 3.088 1.00 0.15 C ATOM 1903 C GLU A 118 13.105 6.489 3.955 1.00 0.14 C ATOM 1904 O GLU A 118 13.851 5.593 4.353 1.00 0.17 O ATOM 1905 CB GLU A 118 13.570 8.940 3.858 1.00 0.17 C ATOM 1906 CG GLU A 118 14.261 10.101 3.162 1.00 0.20 C ATOM 1907 CD GLU A 118 15.721 9.820 2.867 1.00 0.27 C ATOM 1908 OE1 GLU A 118 16.562 10.047 3.761 1.00 0.86 O ATOM 1909 OE2 GLU A 118 16.025 9.374 1.740 1.00 0.64 O ATOM 0 H GLU A 118 12.398 8.555 1.685 1.00 0.14 H new ATOM 0 HA GLU A 118 14.688 7.421 2.844 1.00 0.15 H new ATOM 0 HB2 GLU A 118 12.523 9.198 4.018 1.00 0.17 H new ATOM 0 HB3 GLU A 118 14.018 8.802 4.842 1.00 0.17 H new ATOM 0 HG2 GLU A 118 13.742 10.321 2.229 1.00 0.20 H new ATOM 0 HG3 GLU A 118 14.185 10.991 3.787 1.00 0.20 H new ATOM 1916 N ILE A 119 11.804 6.528 4.255 1.00 0.11 N ATOM 1917 CA ILE A 119 11.214 5.474 5.068 1.00 0.13 C ATOM 1918 C ILE A 119 11.408 4.136 4.377 1.00 0.14 C ATOM 1919 O ILE A 119 11.543 3.102 5.031 1.00 0.19 O ATOM 1920 CB ILE A 119 9.722 5.714 5.380 1.00 0.15 C ATOM 1921 CG1 ILE A 119 8.900 5.805 4.092 1.00 0.10 C ATOM 1922 CG2 ILE A 119 9.566 6.973 6.219 1.00 0.22 C ATOM 1923 CD1 ILE A 119 7.463 6.234 4.308 1.00 0.14 C ATOM 0 H ILE A 119 11.158 7.258 3.955 1.00 0.11 H new ATOM 0 HA ILE A 119 11.728 5.476 6.029 1.00 0.13 H new ATOM 0 HB ILE A 119 9.343 4.866 5.950 1.00 0.15 H new ATOM 0 HG12 ILE A 119 9.381 6.511 3.415 1.00 0.10 H new ATOM 0 HG13 ILE A 119 8.908 4.833 3.598 1.00 0.10 H new ATOM 0 HG21 ILE A 119 8.511 7.137 6.436 1.00 0.22 H new ATOM 0 HG22 ILE A 119 10.115 6.858 7.154 1.00 0.22 H new ATOM 0 HG23 ILE A 119 9.961 7.828 5.669 1.00 0.22 H new ATOM 0 HD11 ILE A 119 6.947 6.275 3.349 1.00 0.14 H new ATOM 0 HD12 ILE A 119 6.963 5.517 4.959 1.00 0.14 H new ATOM 0 HD13 ILE A 119 7.444 7.220 4.772 1.00 0.14 H new ATOM 1935 N VAL A 120 11.428 4.159 3.045 1.00 0.13 N ATOM 1936 CA VAL A 120 11.664 2.949 2.275 1.00 0.20 C ATOM 1937 C VAL A 120 13.018 2.354 2.679 1.00 0.21 C ATOM 1938 O VAL A 120 13.137 1.147 2.886 1.00 0.25 O ATOM 1939 CB VAL A 120 11.640 3.229 0.758 1.00 0.29 C ATOM 1940 CG1 VAL A 120 12.265 2.090 -0.031 1.00 0.82 C ATOM 1941 CG2 VAL A 120 10.227 3.527 0.284 1.00 0.76 C ATOM 0 H VAL A 120 11.284 4.999 2.484 1.00 0.13 H new ATOM 0 HA VAL A 120 10.865 2.240 2.490 1.00 0.20 H new ATOM 0 HB VAL A 120 12.247 4.116 0.574 1.00 0.29 H new ATOM 0 HG11 VAL A 120 12.230 2.323 -1.095 1.00 0.82 H new ATOM 0 HG12 VAL A 120 13.302 1.959 0.278 1.00 0.82 H new ATOM 0 HG13 VAL A 120 11.712 1.170 0.158 1.00 0.82 H new ATOM 0 HG21 VAL A 120 10.236 3.721 -0.789 1.00 0.76 H new ATOM 0 HG22 VAL A 120 9.585 2.671 0.492 1.00 0.76 H new ATOM 0 HG23 VAL A 120 9.845 4.403 0.808 1.00 0.76 H new ATOM 1951 N VAL A 121 14.037 3.214 2.797 1.00 0.20 N ATOM 1952 CA VAL A 121 15.371 2.764 3.212 1.00 0.24 C ATOM 1953 C VAL A 121 15.322 2.268 4.651 1.00 0.26 C ATOM 1954 O VAL A 121 16.019 1.323 5.025 1.00 0.31 O ATOM 1955 CB VAL A 121 16.445 3.880 3.097 1.00 0.25 C ATOM 1956 CG1 VAL A 121 16.037 4.940 2.093 1.00 0.24 C ATOM 1957 CG2 VAL A 121 16.738 4.515 4.448 1.00 0.26 C ATOM 0 H VAL A 121 13.965 4.215 2.613 1.00 0.20 H new ATOM 0 HA VAL A 121 15.658 1.959 2.535 1.00 0.24 H new ATOM 0 HB VAL A 121 17.359 3.406 2.740 1.00 0.25 H new ATOM 0 HG11 VAL A 121 16.811 5.706 2.037 1.00 0.24 H new ATOM 0 HG12 VAL A 121 15.909 4.482 1.112 1.00 0.24 H new ATOM 0 HG13 VAL A 121 15.098 5.396 2.406 1.00 0.24 H new ATOM 0 HG21 VAL A 121 17.494 5.291 4.329 1.00 0.26 H new ATOM 0 HG22 VAL A 121 15.825 4.956 4.848 1.00 0.26 H new ATOM 0 HG23 VAL A 121 17.105 3.753 5.136 1.00 0.26 H new ATOM 1967 N GLN A 122 14.486 2.923 5.449 1.00 0.25 N ATOM 1968 CA GLN A 122 14.327 2.584 6.856 1.00 0.30 C ATOM 1969 C GLN A 122 13.422 1.369 7.037 1.00 0.35 C ATOM 1970 O GLN A 122 13.363 0.784 8.119 1.00 0.44 O ATOM 1971 CB GLN A 122 13.742 3.779 7.606 1.00 0.29 C ATOM 1972 CG GLN A 122 13.873 3.678 9.113 1.00 0.44 C ATOM 1973 CD GLN A 122 15.196 4.213 9.623 1.00 1.27 C ATOM 1974 OE1 GLN A 122 15.325 5.401 9.924 1.00 1.92 O ATOM 1975 NE2 GLN A 122 16.191 3.339 9.724 1.00 2.12 N ATOM 0 H GLN A 122 13.902 3.700 5.139 1.00 0.25 H new ATOM 0 HA GLN A 122 15.309 2.336 7.260 1.00 0.30 H new ATOM 0 HB2 GLN A 122 14.239 4.688 7.267 1.00 0.29 H new ATOM 0 HB3 GLN A 122 12.688 3.878 7.348 1.00 0.29 H new ATOM 0 HG2 GLN A 122 13.058 4.229 9.582 1.00 0.44 H new ATOM 0 HG3 GLN A 122 13.767 2.636 9.414 1.00 0.44 H new ATOM 0 HE21 GLN A 122 16.042 2.364 9.464 1.00 2.12 H new ATOM 0 HE22 GLN A 122 17.104 3.643 10.061 1.00 2.12 H new ATOM 1984 N ASP A 123 12.719 0.993 5.974 1.00 0.31 N ATOM 1985 CA ASP A 123 11.806 -0.145 6.027 1.00 0.37 C ATOM 1986 C ASP A 123 12.264 -1.295 5.131 1.00 0.40 C ATOM 1987 O ASP A 123 11.697 -2.386 5.184 1.00 0.45 O ATOM 1988 CB ASP A 123 10.398 0.303 5.626 1.00 0.35 C ATOM 1989 CG ASP A 123 9.695 1.065 6.734 1.00 0.39 C ATOM 1990 OD1 ASP A 123 9.218 0.417 7.690 1.00 0.86 O ATOM 1991 OD2 ASP A 123 9.621 2.309 6.648 1.00 0.71 O ATOM 0 H ASP A 123 12.763 1.458 5.067 1.00 0.31 H new ATOM 0 HA ASP A 123 11.800 -0.515 7.052 1.00 0.37 H new ATOM 0 HB2 ASP A 123 10.459 0.933 4.738 1.00 0.35 H new ATOM 0 HB3 ASP A 123 9.805 -0.571 5.357 1.00 0.35 H new ATOM 1996 N GLY A 124 13.294 -1.062 4.320 1.00 0.38 N ATOM 1997 CA GLY A 124 13.768 -2.104 3.423 1.00 0.43 C ATOM 1998 C GLY A 124 12.731 -2.411 2.363 1.00 0.44 C ATOM 1999 O GLY A 124 12.371 -3.565 2.135 1.00 0.55 O ATOM 0 H GLY A 124 13.804 -0.180 4.268 1.00 0.38 H new ATOM 0 HA2 GLY A 124 14.697 -1.788 2.949 1.00 0.43 H new ATOM 0 HA3 GLY A 124 13.992 -3.006 3.992 1.00 0.43 H new ATOM 2003 N ILE A 125 12.256 -1.352 1.723 1.00 0.40 N ATOM 2004 CA ILE A 125 11.225 -1.436 0.698 1.00 0.44 C ATOM 2005 C ILE A 125 11.840 -1.262 -0.705 1.00 0.45 C ATOM 2006 O ILE A 125 11.415 -0.441 -1.510 1.00 0.48 O ATOM 2007 CB ILE A 125 10.134 -0.368 1.032 1.00 0.47 C ATOM 2008 CG1 ILE A 125 9.091 -0.934 2.009 1.00 0.58 C ATOM 2009 CG2 ILE A 125 9.434 0.203 -0.193 1.00 0.68 C ATOM 2010 CD1 ILE A 125 9.661 -1.814 3.096 1.00 0.49 C ATOM 0 H ILE A 125 12.579 -0.401 1.902 1.00 0.40 H new ATOM 0 HA ILE A 125 10.754 -2.419 0.689 1.00 0.44 H new ATOM 0 HB ILE A 125 10.671 0.457 1.499 1.00 0.47 H new ATOM 0 HG12 ILE A 125 8.559 -0.104 2.473 1.00 0.58 H new ATOM 0 HG13 ILE A 125 8.356 -1.507 1.444 1.00 0.58 H new ATOM 0 HG21 ILE A 125 8.692 0.937 0.121 1.00 0.68 H new ATOM 0 HG22 ILE A 125 10.168 0.683 -0.840 1.00 0.68 H new ATOM 0 HG23 ILE A 125 8.941 -0.602 -0.738 1.00 0.68 H new ATOM 0 HD11 ILE A 125 8.854 -2.168 3.738 1.00 0.49 H new ATOM 0 HD12 ILE A 125 10.167 -2.667 2.645 1.00 0.49 H new ATOM 0 HD13 ILE A 125 10.373 -1.242 3.691 1.00 0.49 H new ATOM 2022 N THR A 126 12.887 -2.030 -0.988 1.00 0.45 N ATOM 2023 CA THR A 126 13.532 -1.945 -2.291 1.00 0.47 C ATOM 2024 C THR A 126 14.067 -3.293 -2.777 1.00 0.48 C ATOM 2025 O THR A 126 14.447 -4.145 -1.979 1.00 0.57 O ATOM 2026 CB THR A 126 14.648 -0.911 -2.278 1.00 0.49 C ATOM 2027 OG1 THR A 126 14.188 0.270 -1.621 1.00 0.55 O ATOM 2028 CG2 THR A 126 15.083 -0.568 -3.687 1.00 0.53 C ATOM 0 H THR A 126 13.300 -2.706 -0.345 1.00 0.45 H new ATOM 0 HA THR A 126 12.761 -1.632 -2.996 1.00 0.47 H new ATOM 0 HB THR A 126 15.503 -1.327 -1.745 1.00 0.49 H new ATOM 0 HG1 THR A 126 13.858 0.908 -2.288 1.00 0.55 H new ATOM 0 HG21 THR A 126 15.882 0.173 -3.651 1.00 0.53 H new ATOM 0 HG22 THR A 126 15.445 -1.467 -4.185 1.00 0.53 H new ATOM 0 HG23 THR A 126 14.236 -0.162 -4.241 1.00 0.53 H new ATOM 2036 N LEU A 127 14.098 -3.455 -4.104 1.00 0.47 N ATOM 2037 CA LEU A 127 14.564 -4.682 -4.758 1.00 0.48 C ATOM 2038 C LEU A 127 13.821 -5.907 -4.223 1.00 0.46 C ATOM 2039 O LEU A 127 13.122 -5.826 -3.212 1.00 0.52 O ATOM 2040 CB LEU A 127 16.089 -4.854 -4.611 1.00 0.52 C ATOM 2041 CG LEU A 127 16.584 -5.658 -3.402 1.00 0.66 C ATOM 2042 CD1 LEU A 127 16.709 -7.133 -3.748 1.00 1.29 C ATOM 2043 CD2 LEU A 127 17.925 -5.140 -2.928 1.00 1.19 C ATOM 0 H LEU A 127 13.798 -2.733 -4.759 1.00 0.47 H new ATOM 0 HA LEU A 127 14.343 -4.592 -5.821 1.00 0.48 H new ATOM 0 HB2 LEU A 127 16.465 -5.334 -5.514 1.00 0.52 H new ATOM 0 HB3 LEU A 127 16.539 -3.862 -4.566 1.00 0.52 H new ATOM 0 HG LEU A 127 15.851 -5.540 -2.604 1.00 0.66 H new ATOM 0 HD11 LEU A 127 17.062 -7.683 -2.875 1.00 1.29 H new ATOM 0 HD12 LEU A 127 15.736 -7.519 -4.052 1.00 1.29 H new ATOM 0 HD13 LEU A 127 17.419 -7.256 -4.566 1.00 1.29 H new ATOM 0 HD21 LEU A 127 18.258 -5.724 -2.070 1.00 1.19 H new ATOM 0 HD22 LEU A 127 18.655 -5.229 -3.733 1.00 1.19 H new ATOM 0 HD23 LEU A 127 17.829 -4.093 -2.639 1.00 1.19 H new ATOM 2055 N ILE A 128 13.953 -7.042 -4.906 1.00 0.53 N ATOM 2056 CA ILE A 128 13.296 -8.261 -4.448 1.00 0.55 C ATOM 2057 C ILE A 128 13.988 -8.749 -3.194 1.00 0.69 C ATOM 2058 O ILE A 128 15.050 -9.370 -3.248 1.00 0.83 O ATOM 2059 CB ILE A 128 13.316 -9.362 -5.527 1.00 0.58 C ATOM 2060 CG1 ILE A 128 12.760 -8.819 -6.848 1.00 0.62 C ATOM 2061 CG2 ILE A 128 12.518 -10.576 -5.067 1.00 0.60 C ATOM 2062 CD1 ILE A 128 11.367 -8.240 -6.729 1.00 0.61 C ATOM 0 H ILE A 128 14.498 -7.142 -5.762 1.00 0.53 H new ATOM 0 HA ILE A 128 12.251 -8.033 -4.238 1.00 0.55 H new ATOM 0 HB ILE A 128 14.348 -9.674 -5.687 1.00 0.58 H new ATOM 0 HG12 ILE A 128 13.433 -8.049 -7.226 1.00 0.62 H new ATOM 0 HG13 ILE A 128 12.748 -9.622 -7.585 1.00 0.62 H new ATOM 0 HG21 ILE A 128 12.543 -11.343 -5.841 1.00 0.60 H new ATOM 0 HG22 ILE A 128 12.954 -10.972 -4.150 1.00 0.60 H new ATOM 0 HG23 ILE A 128 11.485 -10.283 -4.880 1.00 0.60 H new ATOM 0 HD11 ILE A 128 11.040 -7.876 -7.703 1.00 0.61 H new ATOM 0 HD12 ILE A 128 10.681 -9.012 -6.381 1.00 0.61 H new ATOM 0 HD13 ILE A 128 11.376 -7.415 -6.017 1.00 0.61 H new ATOM 2074 N THR A 129 13.351 -8.478 -2.066 1.00 0.78 N ATOM 2075 CA THR A 129 13.887 -8.814 -0.760 1.00 0.99 C ATOM 2076 C THR A 129 14.532 -10.192 -0.707 1.00 1.08 C ATOM 2077 O THR A 129 15.551 -10.372 -0.043 1.00 1.49 O ATOM 2078 CB THR A 129 12.802 -8.724 0.322 1.00 1.12 C ATOM 2079 OG1 THR A 129 11.818 -9.745 0.120 1.00 1.22 O ATOM 2080 CG2 THR A 129 12.132 -7.357 0.307 1.00 1.10 C ATOM 0 H THR A 129 12.442 -8.016 -2.032 1.00 0.78 H new ATOM 0 HA THR A 129 14.668 -8.078 -0.568 1.00 0.99 H new ATOM 0 HB THR A 129 13.278 -8.867 1.292 1.00 1.12 H new ATOM 0 HG1 THR A 129 11.131 -9.680 0.816 1.00 1.22 H new ATOM 0 HG21 THR A 129 11.367 -7.318 1.083 1.00 1.10 H new ATOM 0 HG22 THR A 129 12.878 -6.584 0.494 1.00 1.10 H new ATOM 0 HG23 THR A 129 11.671 -7.189 -0.666 1.00 1.10 H new ATOM 2088 N LYS A 130 13.953 -11.165 -1.396 1.00 1.16 N ATOM 2089 CA LYS A 130 14.512 -12.508 -1.378 1.00 1.25 C ATOM 2090 C LYS A 130 15.706 -12.633 -2.324 1.00 1.26 C ATOM 2091 O LYS A 130 16.838 -12.792 -1.868 1.00 1.46 O ATOM 2092 CB LYS A 130 13.439 -13.555 -1.703 1.00 1.15 C ATOM 2093 CG LYS A 130 12.781 -13.383 -3.061 1.00 0.88 C ATOM 2094 CD LYS A 130 11.301 -13.722 -3.013 1.00 0.89 C ATOM 2095 CE LYS A 130 11.057 -15.152 -2.552 1.00 1.17 C ATOM 2096 NZ LYS A 130 9.624 -15.388 -2.217 1.00 2.01 N ATOM 0 H LYS A 130 13.113 -11.054 -1.964 1.00 1.16 H new ATOM 0 HA LYS A 130 14.874 -12.698 -0.368 1.00 1.25 H new ATOM 0 HB2 LYS A 130 13.890 -14.546 -1.655 1.00 1.15 H new ATOM 0 HB3 LYS A 130 12.669 -13.518 -0.933 1.00 1.15 H new ATOM 0 HG2 LYS A 130 12.908 -12.355 -3.400 1.00 0.88 H new ATOM 0 HG3 LYS A 130 13.278 -14.023 -3.790 1.00 0.88 H new ATOM 0 HD2 LYS A 130 10.793 -13.032 -2.339 1.00 0.89 H new ATOM 0 HD3 LYS A 130 10.865 -13.581 -4.002 1.00 0.89 H new ATOM 0 HE2 LYS A 130 11.366 -15.844 -3.335 1.00 1.17 H new ATOM 0 HE3 LYS A 130 11.674 -15.363 -1.679 1.00 1.17 H new ATOM 0 HZ1 LYS A 130 9.501 -16.368 -1.891 1.00 2.01 H new ATOM 0 HZ2 LYS A 130 9.331 -14.733 -1.464 1.00 2.01 H new ATOM 0 HZ3 LYS A 130 9.039 -15.228 -3.062 1.00 2.01 H new ATOM 2110 N GLU A 131 15.457 -12.536 -3.633 1.00 1.11 N ATOM 2111 CA GLU A 131 16.519 -12.661 -4.634 1.00 1.21 C ATOM 2112 C GLU A 131 15.937 -12.741 -6.044 1.00 1.13 C ATOM 2113 O GLU A 131 16.254 -13.660 -6.801 1.00 1.53 O ATOM 2114 CB GLU A 131 17.341 -13.922 -4.367 1.00 1.41 C ATOM 2115 CG GLU A 131 16.479 -15.146 -4.097 1.00 1.39 C ATOM 2116 CD GLU A 131 17.297 -16.404 -3.884 1.00 1.58 C ATOM 2117 OE1 GLU A 131 17.782 -16.612 -2.752 1.00 1.84 O ATOM 2118 OE2 GLU A 131 17.454 -17.182 -4.848 1.00 1.76 O ATOM 0 H GLU A 131 14.529 -12.371 -4.024 1.00 1.11 H new ATOM 0 HA GLU A 131 17.153 -11.777 -4.561 1.00 1.21 H new ATOM 0 HB2 GLU A 131 17.984 -14.119 -5.225 1.00 1.41 H new ATOM 0 HB3 GLU A 131 17.995 -13.749 -3.512 1.00 1.41 H new ATOM 0 HG2 GLU A 131 15.864 -14.964 -3.216 1.00 1.39 H new ATOM 0 HG3 GLU A 131 15.799 -15.298 -4.935 1.00 1.39 H new ATOM 2125 N GLU A 132 15.095 -11.776 -6.400 1.00 0.92 N ATOM 2126 CA GLU A 132 14.466 -11.764 -7.718 1.00 0.89 C ATOM 2127 C GLU A 132 13.726 -13.074 -7.948 1.00 0.87 C ATOM 2128 O GLU A 132 13.708 -13.609 -9.058 1.00 1.05 O ATOM 2129 CB GLU A 132 15.515 -11.551 -8.812 1.00 1.14 C ATOM 2130 CG GLU A 132 16.318 -10.272 -8.646 1.00 1.38 C ATOM 2131 CD GLU A 132 17.374 -10.103 -9.720 1.00 1.65 C ATOM 2132 OE1 GLU A 132 18.499 -10.613 -9.530 1.00 1.99 O ATOM 2133 OE2 GLU A 132 17.078 -9.463 -10.750 1.00 1.61 O ATOM 0 H GLU A 132 14.833 -10.995 -5.798 1.00 0.92 H new ATOM 0 HA GLU A 132 13.754 -10.939 -7.759 1.00 0.89 H new ATOM 0 HB2 GLU A 132 16.198 -12.400 -8.819 1.00 1.14 H new ATOM 0 HB3 GLU A 132 15.018 -11.534 -9.782 1.00 1.14 H new ATOM 0 HG2 GLU A 132 15.642 -9.417 -8.669 1.00 1.38 H new ATOM 0 HG3 GLU A 132 16.798 -10.273 -7.667 1.00 1.38 H new ATOM 2140 N ALA A 133 13.107 -13.576 -6.884 1.00 0.77 N ATOM 2141 CA ALA A 133 12.383 -14.836 -6.941 1.00 0.78 C ATOM 2142 C ALA A 133 10.938 -14.689 -6.479 1.00 0.62 C ATOM 2143 O ALA A 133 10.452 -13.581 -6.249 1.00 0.54 O ATOM 2144 CB ALA A 133 13.097 -15.865 -6.083 1.00 0.97 C ATOM 0 H ALA A 133 13.094 -13.125 -5.969 1.00 0.77 H new ATOM 0 HA ALA A 133 12.360 -15.163 -7.981 1.00 0.78 H new ATOM 0 HB1 ALA A 133 12.557 -16.811 -6.124 1.00 0.97 H new ATOM 0 HB2 ALA A 133 14.111 -16.010 -6.457 1.00 0.97 H new ATOM 0 HB3 ALA A 133 13.137 -15.514 -5.052 1.00 0.97 H new ATOM 2150 N SER A 134 10.259 -15.827 -6.347 1.00 0.74 N ATOM 2151 CA SER A 134 8.870 -15.857 -5.902 1.00 0.82 C ATOM 2152 C SER A 134 8.733 -16.738 -4.664 1.00 0.99 C ATOM 2153 O SER A 134 7.727 -16.687 -3.957 1.00 1.18 O ATOM 2154 CB SER A 134 7.965 -16.380 -7.018 1.00 0.93 C ATOM 2155 OG SER A 134 8.297 -17.715 -7.359 1.00 1.11 O ATOM 0 H SER A 134 10.654 -16.747 -6.544 1.00 0.74 H new ATOM 0 HA SER A 134 8.565 -14.842 -5.650 1.00 0.82 H new ATOM 0 HB2 SER A 134 6.924 -16.331 -6.700 1.00 0.93 H new ATOM 0 HB3 SER A 134 8.060 -15.742 -7.897 1.00 0.93 H new ATOM 0 HG SER A 134 7.703 -18.027 -8.073 1.00 1.11 H new ATOM 2161 N GLY A 135 9.760 -17.545 -4.416 1.00 1.07 N ATOM 2162 CA GLY A 135 9.759 -18.434 -3.267 1.00 1.31 C ATOM 2163 C GLY A 135 11.165 -18.792 -2.826 1.00 1.47 C ATOM 2164 O GLY A 135 11.777 -19.711 -3.370 1.00 2.05 O ATOM 0 H GLY A 135 10.598 -17.599 -4.994 1.00 1.07 H new ATOM 0 HA2 GLY A 135 9.230 -17.959 -2.441 1.00 1.31 H new ATOM 0 HA3 GLY A 135 9.213 -19.345 -3.513 1.00 1.31 H new ATOM 2168 N SER A 136 11.676 -18.064 -1.837 1.00 1.46 N ATOM 2169 CA SER A 136 13.023 -18.302 -1.330 1.00 1.64 C ATOM 2170 C SER A 136 13.050 -18.288 0.196 1.00 1.87 C ATOM 2171 O SER A 136 12.005 -18.255 0.846 1.00 2.18 O ATOM 2172 CB SER A 136 13.983 -17.243 -1.875 1.00 1.57 C ATOM 2173 OG SER A 136 14.108 -17.347 -3.283 1.00 1.85 O ATOM 0 H SER A 136 11.178 -17.305 -1.372 1.00 1.46 H new ATOM 0 HA SER A 136 13.340 -19.289 -1.668 1.00 1.64 H new ATOM 0 HB2 SER A 136 13.622 -16.249 -1.611 1.00 1.57 H new ATOM 0 HB3 SER A 136 14.962 -17.360 -1.410 1.00 1.57 H new ATOM 0 HG SER A 136 14.936 -17.823 -3.504 1.00 1.85 H new ATOM 2179 N SER A 137 14.255 -18.313 0.761 1.00 1.97 N ATOM 2180 CA SER A 137 14.424 -18.307 2.210 1.00 2.20 C ATOM 2181 C SER A 137 15.096 -17.020 2.680 1.00 2.16 C ATOM 2182 O SER A 137 15.293 -16.814 3.878 1.00 2.29 O ATOM 2183 CB SER A 137 15.248 -19.517 2.652 1.00 2.47 C ATOM 2184 OG SER A 137 16.526 -19.513 2.042 1.00 2.60 O ATOM 0 H SER A 137 15.129 -18.338 0.236 1.00 1.97 H new ATOM 0 HA SER A 137 13.435 -18.362 2.664 1.00 2.20 H new ATOM 0 HB2 SER A 137 15.359 -19.509 3.736 1.00 2.47 H new ATOM 0 HB3 SER A 137 14.720 -20.435 2.392 1.00 2.47 H new ATOM 0 HG SER A 137 17.034 -20.296 2.342 1.00 2.60 H new ATOM 2190 N VAL A 138 15.444 -16.158 1.731 1.00 1.99 N ATOM 2191 CA VAL A 138 16.089 -14.891 2.053 1.00 1.94 C ATOM 2192 C VAL A 138 15.081 -13.906 2.638 1.00 1.87 C ATOM 2193 O VAL A 138 13.890 -13.967 2.326 1.00 1.80 O ATOM 2194 CB VAL A 138 16.754 -14.270 0.809 1.00 1.78 C ATOM 2195 CG1 VAL A 138 17.522 -13.011 1.180 1.00 1.69 C ATOM 2196 CG2 VAL A 138 17.668 -15.283 0.136 1.00 1.88 C ATOM 0 H VAL A 138 15.291 -16.313 0.735 1.00 1.99 H new ATOM 0 HA VAL A 138 16.861 -15.097 2.794 1.00 1.94 H new ATOM 0 HB VAL A 138 15.972 -13.991 0.103 1.00 1.78 H new ATOM 0 HG11 VAL A 138 17.983 -12.590 0.287 1.00 1.69 H new ATOM 0 HG12 VAL A 138 16.838 -12.282 1.614 1.00 1.69 H new ATOM 0 HG13 VAL A 138 18.297 -13.258 1.906 1.00 1.69 H new ATOM 0 HG21 VAL A 138 18.130 -14.830 -0.741 1.00 1.88 H new ATOM 0 HG22 VAL A 138 18.444 -15.594 0.835 1.00 1.88 H new ATOM 0 HG23 VAL A 138 17.085 -16.152 -0.169 1.00 1.88 H new ATOM 2206 N THR A 139 15.559 -12.998 3.486 1.00 1.92 N ATOM 2207 CA THR A 139 14.686 -12.020 4.125 1.00 1.91 C ATOM 2208 C THR A 139 14.880 -10.617 3.555 1.00 1.68 C ATOM 2209 O THR A 139 15.564 -10.426 2.549 1.00 1.53 O ATOM 2210 CB THR A 139 14.922 -11.963 5.648 1.00 2.17 C ATOM 2211 OG1 THR A 139 15.881 -10.944 5.956 1.00 2.01 O ATOM 2212 CG2 THR A 139 15.421 -13.299 6.175 1.00 2.38 C ATOM 0 H THR A 139 16.543 -12.920 3.745 1.00 1.92 H new ATOM 0 HA THR A 139 13.668 -12.351 3.921 1.00 1.91 H new ATOM 0 HB THR A 139 13.971 -11.733 6.128 1.00 2.17 H new ATOM 0 HG1 THR A 139 16.025 -10.912 6.925 1.00 2.01 H new ATOM 0 HG21 THR A 139 15.579 -13.230 7.251 1.00 2.38 H new ATOM 0 HG22 THR A 139 14.681 -14.072 5.966 1.00 2.38 H new ATOM 0 HG23 THR A 139 16.361 -13.555 5.686 1.00 2.38 H new ATOM 2220 N ALA A 140 14.264 -9.644 4.221 1.00 1.71 N ATOM 2221 CA ALA A 140 14.336 -8.239 3.825 1.00 1.53 C ATOM 2222 C ALA A 140 15.775 -7.747 3.689 1.00 1.45 C ATOM 2223 O ALA A 140 16.011 -6.663 3.163 1.00 1.28 O ATOM 2224 CB ALA A 140 13.579 -7.377 4.824 1.00 1.70 C ATOM 0 H ALA A 140 13.698 -9.808 5.054 1.00 1.71 H new ATOM 0 HA ALA A 140 13.872 -8.154 2.842 1.00 1.53 H new ATOM 0 HB1 ALA A 140 13.638 -6.332 4.521 1.00 1.70 H new ATOM 0 HB2 ALA A 140 12.535 -7.687 4.855 1.00 1.70 H new ATOM 0 HB3 ALA A 140 14.021 -7.493 5.813 1.00 1.70 H new ATOM 2230 N GLU A 141 16.726 -8.545 4.169 1.00 1.61 N ATOM 2231 CA GLU A 141 18.143 -8.182 4.126 1.00 1.56 C ATOM 2232 C GLU A 141 18.539 -7.547 2.794 1.00 1.24 C ATOM 2233 O GLU A 141 19.074 -6.436 2.772 1.00 1.11 O ATOM 2234 CB GLU A 141 19.000 -9.413 4.392 1.00 1.79 C ATOM 2235 CG GLU A 141 18.925 -9.874 5.833 1.00 2.13 C ATOM 2236 CD GLU A 141 19.708 -11.149 6.083 1.00 2.39 C ATOM 2237 OE1 GLU A 141 19.128 -12.243 5.925 1.00 2.65 O ATOM 2238 OE2 GLU A 141 20.902 -11.053 6.436 1.00 2.55 O ATOM 0 H GLU A 141 16.541 -9.453 4.595 1.00 1.61 H new ATOM 0 HA GLU A 141 18.313 -7.437 4.903 1.00 1.56 H new ATOM 0 HB2 GLU A 141 18.678 -10.223 3.738 1.00 1.79 H new ATOM 0 HB3 GLU A 141 20.037 -9.191 4.139 1.00 1.79 H new ATOM 0 HG2 GLU A 141 19.306 -9.086 6.482 1.00 2.13 H new ATOM 0 HG3 GLU A 141 17.882 -10.034 6.105 1.00 2.13 H new ATOM 2245 N GLU A 142 18.281 -8.242 1.689 1.00 1.16 N ATOM 2246 CA GLU A 142 18.615 -7.710 0.369 1.00 0.91 C ATOM 2247 C GLU A 142 18.136 -6.269 0.245 1.00 0.70 C ATOM 2248 O GLU A 142 18.903 -5.370 -0.111 1.00 0.59 O ATOM 2249 CB GLU A 142 17.987 -8.569 -0.731 1.00 0.97 C ATOM 2250 CG GLU A 142 18.467 -10.012 -0.729 1.00 1.17 C ATOM 2251 CD GLU A 142 19.969 -10.130 -0.904 1.00 1.44 C ATOM 2252 OE1 GLU A 142 20.427 -10.212 -2.063 1.00 1.81 O ATOM 2253 OE2 GLU A 142 20.688 -10.143 0.119 1.00 1.95 O ATOM 0 H GLU A 142 17.847 -9.165 1.679 1.00 1.16 H new ATOM 0 HA GLU A 142 19.698 -7.733 0.252 1.00 0.91 H new ATOM 0 HB2 GLU A 142 16.903 -8.556 -0.616 1.00 0.97 H new ATOM 0 HB3 GLU A 142 18.210 -8.123 -1.700 1.00 0.97 H new ATOM 0 HG2 GLU A 142 18.176 -10.486 0.209 1.00 1.17 H new ATOM 0 HG3 GLU A 142 17.968 -10.558 -1.530 1.00 1.17 H new ATOM 2260 N ALA A 143 16.861 -6.055 0.551 1.00 0.83 N ATOM 2261 CA ALA A 143 16.275 -4.725 0.494 1.00 0.93 C ATOM 2262 C ALA A 143 17.002 -3.783 1.441 1.00 1.09 C ATOM 2263 O ALA A 143 17.250 -2.622 1.115 1.00 1.40 O ATOM 2264 CB ALA A 143 14.800 -4.784 0.844 1.00 1.18 C ATOM 0 H ALA A 143 16.214 -6.788 0.841 1.00 0.83 H new ATOM 0 HA ALA A 143 16.379 -4.345 -0.522 1.00 0.93 H new ATOM 0 HB1 ALA A 143 14.375 -3.782 0.797 1.00 1.18 H new ATOM 0 HB2 ALA A 143 14.283 -5.431 0.135 1.00 1.18 H new ATOM 0 HB3 ALA A 143 14.681 -5.182 1.852 1.00 1.18 H new ATOM 2270 N LYS A 144 17.343 -4.296 2.618 1.00 1.16 N ATOM 2271 CA LYS A 144 18.053 -3.516 3.616 1.00 1.25 C ATOM 2272 C LYS A 144 19.400 -3.074 3.063 1.00 0.93 C ATOM 2273 O LYS A 144 19.957 -2.066 3.489 1.00 0.94 O ATOM 2274 CB LYS A 144 18.244 -4.335 4.898 1.00 1.50 C ATOM 2275 CG LYS A 144 16.935 -4.742 5.562 1.00 2.20 C ATOM 2276 CD LYS A 144 17.156 -5.741 6.691 1.00 2.42 C ATOM 2277 CE LYS A 144 17.970 -5.140 7.827 1.00 2.29 C ATOM 2278 NZ LYS A 144 17.266 -3.997 8.471 1.00 3.25 N ATOM 0 H LYS A 144 17.136 -5.254 2.902 1.00 1.16 H new ATOM 0 HA LYS A 144 17.463 -2.632 3.859 1.00 1.25 H new ATOM 0 HB2 LYS A 144 18.817 -5.232 4.664 1.00 1.50 H new ATOM 0 HB3 LYS A 144 18.835 -3.754 5.606 1.00 1.50 H new ATOM 0 HG2 LYS A 144 16.436 -3.856 5.954 1.00 2.20 H new ATOM 0 HG3 LYS A 144 16.270 -5.178 4.816 1.00 2.20 H new ATOM 0 HD2 LYS A 144 16.192 -6.077 7.073 1.00 2.42 H new ATOM 0 HD3 LYS A 144 17.669 -6.621 6.302 1.00 2.42 H new ATOM 0 HE2 LYS A 144 18.174 -5.908 8.573 1.00 2.29 H new ATOM 0 HE3 LYS A 144 18.934 -4.804 7.445 1.00 2.29 H new ATOM 0 HZ1 LYS A 144 17.749 -3.747 9.357 1.00 3.25 H new ATOM 0 HZ2 LYS A 144 17.274 -3.178 7.829 1.00 3.25 H new ATOM 0 HZ3 LYS A 144 16.283 -4.266 8.677 1.00 3.25 H new ATOM 2292 N LYS A 145 19.915 -3.843 2.105 1.00 0.76 N ATOM 2293 CA LYS A 145 21.195 -3.529 1.479 1.00 0.60 C ATOM 2294 C LYS A 145 21.038 -2.476 0.390 1.00 0.60 C ATOM 2295 O LYS A 145 21.863 -1.570 0.281 1.00 0.65 O ATOM 2296 CB LYS A 145 21.831 -4.788 0.887 1.00 0.74 C ATOM 2297 CG LYS A 145 22.765 -5.507 1.845 1.00 1.34 C ATOM 2298 CD LYS A 145 22.038 -5.933 3.105 1.00 1.92 C ATOM 2299 CE LYS A 145 22.984 -6.586 4.101 1.00 2.68 C ATOM 2300 NZ LYS A 145 22.272 -7.034 5.330 1.00 3.38 N ATOM 0 H LYS A 145 19.466 -4.686 1.747 1.00 0.76 H new ATOM 0 HA LYS A 145 21.847 -3.129 2.256 1.00 0.60 H new ATOM 0 HB2 LYS A 145 21.041 -5.474 0.580 1.00 0.74 H new ATOM 0 HB3 LYS A 145 22.385 -4.517 -0.012 1.00 0.74 H new ATOM 0 HG2 LYS A 145 23.190 -6.382 1.354 1.00 1.34 H new ATOM 0 HG3 LYS A 145 23.597 -4.852 2.106 1.00 1.34 H new ATOM 0 HD2 LYS A 145 21.566 -5.065 3.565 1.00 1.92 H new ATOM 0 HD3 LYS A 145 21.241 -6.630 2.848 1.00 1.92 H new ATOM 0 HE2 LYS A 145 23.472 -7.440 3.632 1.00 2.68 H new ATOM 0 HE3 LYS A 145 23.769 -5.880 4.373 1.00 2.68 H new ATOM 0 HZ1 LYS A 145 22.951 -7.474 5.984 1.00 3.38 H new ATOM 0 HZ2 LYS A 145 21.827 -6.215 5.792 1.00 3.38 H new ATOM 0 HZ3 LYS A 145 21.540 -7.727 5.074 1.00 3.38 H new ATOM 2314 N PHE A 146 19.984 -2.598 -0.421 1.00 0.65 N ATOM 2315 CA PHE A 146 19.762 -1.635 -1.496 1.00 0.76 C ATOM 2316 C PHE A 146 19.824 -0.215 -0.947 1.00 0.68 C ATOM 2317 O PHE A 146 20.527 0.641 -1.486 1.00 0.82 O ATOM 2318 CB PHE A 146 18.426 -1.881 -2.209 1.00 0.96 C ATOM 2319 CG PHE A 146 18.342 -1.235 -3.566 1.00 1.99 C ATOM 2320 CD1 PHE A 146 18.423 0.142 -3.712 1.00 2.67 C ATOM 2321 CD2 PHE A 146 18.186 -2.015 -4.698 1.00 2.66 C ATOM 2322 CE1 PHE A 146 18.346 0.723 -4.963 1.00 3.66 C ATOM 2323 CE2 PHE A 146 18.108 -1.440 -5.949 1.00 3.61 C ATOM 2324 CZ PHE A 146 18.189 -0.068 -6.083 1.00 4.01 C ATOM 0 H PHE A 146 19.286 -3.339 -0.355 1.00 0.65 H new ATOM 0 HA PHE A 146 20.554 -1.766 -2.234 1.00 0.76 H new ATOM 0 HB2 PHE A 146 18.273 -2.955 -2.316 1.00 0.96 H new ATOM 0 HB3 PHE A 146 17.615 -1.504 -1.585 1.00 0.96 H new ATOM 0 HD1 PHE A 146 18.547 0.766 -2.839 1.00 2.67 H new ATOM 0 HD2 PHE A 146 18.124 -3.089 -4.601 1.00 2.66 H new ATOM 0 HE1 PHE A 146 18.409 1.796 -5.065 1.00 3.66 H new ATOM 0 HE2 PHE A 146 17.984 -2.062 -6.823 1.00 3.61 H new ATOM 0 HZ PHE A 146 18.130 0.385 -7.062 1.00 4.01 H new ATOM 2334 N LEU A 147 19.085 0.027 0.129 1.00 0.62 N ATOM 2335 CA LEU A 147 19.076 1.333 0.773 1.00 0.58 C ATOM 2336 C LEU A 147 19.095 1.186 2.288 1.00 0.86 C ATOM 2337 O LEU A 147 18.048 1.129 2.934 1.00 1.09 O ATOM 2338 CB LEU A 147 17.879 2.181 0.340 1.00 0.52 C ATOM 2339 CG LEU A 147 16.684 1.446 -0.260 1.00 0.86 C ATOM 2340 CD1 LEU A 147 16.223 0.310 0.641 1.00 0.67 C ATOM 2341 CD2 LEU A 147 15.562 2.445 -0.473 1.00 2.00 C ATOM 0 H LEU A 147 18.483 -0.666 0.574 1.00 0.62 H new ATOM 0 HA LEU A 147 19.980 1.852 0.454 1.00 0.58 H new ATOM 0 HB2 LEU A 147 17.530 2.741 1.208 1.00 0.52 H new ATOM 0 HB3 LEU A 147 18.228 2.910 -0.391 1.00 0.52 H new ATOM 0 HG LEU A 147 16.976 1.003 -1.212 1.00 0.86 H new ATOM 0 HD11 LEU A 147 15.370 -0.193 0.185 1.00 0.67 H new ATOM 0 HD12 LEU A 147 17.037 -0.403 0.773 1.00 0.67 H new ATOM 0 HD13 LEU A 147 15.931 0.711 1.612 1.00 0.67 H new ATOM 0 HD21 LEU A 147 14.699 1.936 -0.902 1.00 2.00 H new ATOM 0 HD22 LEU A 147 15.284 2.889 0.483 1.00 2.00 H new ATOM 0 HD23 LEU A 147 15.897 3.228 -1.153 1.00 2.00 H new ATOM 2353 N ALA A 148 20.299 1.115 2.851 1.00 1.09 N ATOM 2354 CA ALA A 148 20.458 0.974 4.290 1.00 1.48 C ATOM 2355 C ALA A 148 20.634 2.334 4.960 1.00 1.93 C ATOM 2356 O ALA A 148 21.268 3.228 4.399 1.00 2.04 O ATOM 2357 CB ALA A 148 21.639 0.072 4.614 1.00 1.55 C ATOM 0 H ALA A 148 21.175 1.153 2.331 1.00 1.09 H new ATOM 0 HA ALA A 148 19.550 0.516 4.681 1.00 1.48 H new ATOM 0 HB1 ALA A 148 21.740 -0.020 5.695 1.00 1.55 H new ATOM 0 HB2 ALA A 148 21.474 -0.914 4.180 1.00 1.55 H new ATOM 0 HB3 ALA A 148 22.550 0.503 4.200 1.00 1.55 H new ATOM 2363 N PRO A 149 20.075 2.511 6.172 1.00 2.31 N ATOM 2364 CA PRO A 149 20.169 3.761 6.918 1.00 2.77 C ATOM 2365 C PRO A 149 21.455 3.844 7.735 1.00 3.11 C ATOM 2366 O PRO A 149 21.692 4.825 8.441 1.00 3.61 O ATOM 2367 CB PRO A 149 18.944 3.715 7.847 1.00 3.06 C ATOM 2368 CG PRO A 149 18.275 2.395 7.593 1.00 2.83 C ATOM 2369 CD PRO A 149 19.296 1.526 6.919 1.00 2.43 C ATOM 0 HA PRO A 149 20.188 4.631 6.262 1.00 2.77 H new ATOM 0 HB2 PRO A 149 19.244 3.805 8.891 1.00 3.06 H new ATOM 0 HB3 PRO A 149 18.265 4.542 7.638 1.00 3.06 H new ATOM 0 HG2 PRO A 149 17.937 1.945 8.526 1.00 2.83 H new ATOM 0 HG3 PRO A 149 17.395 2.521 6.963 1.00 2.83 H new ATOM 0 HD2 PRO A 149 19.907 0.980 7.637 1.00 2.43 H new ATOM 0 HD3 PRO A 149 18.836 0.786 6.264 1.00 2.43 H new ATOM 2377 N LYS A 150 22.279 2.807 7.633 1.00 2.90 N ATOM 2378 CA LYS A 150 23.541 2.753 8.360 1.00 3.21 C ATOM 2379 C LYS A 150 24.718 2.597 7.400 1.00 3.16 C ATOM 2380 O LYS A 150 24.602 2.899 6.213 1.00 3.09 O ATOM 2381 CB LYS A 150 23.520 1.595 9.360 1.00 3.27 C ATOM 2382 CG LYS A 150 23.106 0.268 8.746 1.00 2.92 C ATOM 2383 CD LYS A 150 23.166 -0.859 9.764 1.00 3.01 C ATOM 2384 CE LYS A 150 22.600 -2.152 9.199 1.00 3.04 C ATOM 2385 NZ LYS A 150 21.152 -2.028 8.874 1.00 3.33 N ATOM 0 H LYS A 150 22.094 1.990 7.051 1.00 2.90 H new ATOM 0 HA LYS A 150 23.665 3.691 8.901 1.00 3.21 H new ATOM 0 HB2 LYS A 150 24.511 1.488 9.800 1.00 3.27 H new ATOM 0 HB3 LYS A 150 22.835 1.840 10.172 1.00 3.27 H new ATOM 0 HG2 LYS A 150 22.094 0.349 8.350 1.00 2.92 H new ATOM 0 HG3 LYS A 150 23.759 0.035 7.905 1.00 2.92 H new ATOM 0 HD2 LYS A 150 24.199 -1.017 10.072 1.00 3.01 H new ATOM 0 HD3 LYS A 150 22.607 -0.575 10.656 1.00 3.01 H new ATOM 0 HE2 LYS A 150 23.152 -2.428 8.300 1.00 3.04 H new ATOM 0 HE3 LYS A 150 22.743 -2.957 9.920 1.00 3.04 H new ATOM 0 HZ1 LYS A 150 20.737 -2.976 8.770 1.00 3.33 H new ATOM 0 HZ2 LYS A 150 20.666 -1.520 9.641 1.00 3.33 H new ATOM 0 HZ3 LYS A 150 21.040 -1.501 7.984 1.00 3.33 H new ATOM 2399 N ASP A 151 25.849 2.129 7.932 1.00 3.59 N ATOM 2400 CA ASP A 151 27.066 1.920 7.145 1.00 3.74 C ATOM 2401 C ASP A 151 27.388 3.130 6.270 1.00 4.19 C ATOM 2402 O ASP A 151 26.838 4.215 6.464 1.00 4.76 O ATOM 2403 CB ASP A 151 26.946 0.657 6.282 1.00 4.16 C ATOM 2404 CG ASP A 151 25.945 0.803 5.152 1.00 4.32 C ATOM 2405 OD1 ASP A 151 26.317 1.354 4.095 1.00 4.24 O ATOM 2406 OD2 ASP A 151 24.787 0.364 5.323 1.00 4.95 O ATOM 0 H ASP A 151 25.947 1.885 8.917 1.00 3.59 H new ATOM 0 HA ASP A 151 27.888 1.789 7.849 1.00 3.74 H new ATOM 0 HB2 ASP A 151 27.923 0.415 5.865 1.00 4.16 H new ATOM 0 HB3 ASP A 151 26.652 -0.181 6.914 1.00 4.16 H new ATOM 2411 N LYS A 152 28.293 2.938 5.316 1.00 4.37 N ATOM 2412 CA LYS A 152 28.694 4.009 4.411 1.00 5.13 C ATOM 2413 C LYS A 152 27.956 3.903 3.080 1.00 5.44 C ATOM 2414 O LYS A 152 26.876 4.517 2.953 1.00 5.88 O ATOM 2415 CB LYS A 152 30.207 3.973 4.173 1.00 5.58 C ATOM 2416 CG LYS A 152 31.032 4.453 5.361 1.00 5.83 C ATOM 2417 CD LYS A 152 31.010 3.460 6.515 1.00 6.32 C ATOM 2418 CE LYS A 152 31.722 2.165 6.156 1.00 6.82 C ATOM 2419 NZ LYS A 152 33.158 2.391 5.831 1.00 7.43 N ATOM 2420 OXT LYS A 152 28.466 3.209 2.175 1.00 5.54 O ATOM 0 H LYS A 152 28.764 2.048 5.149 1.00 4.37 H new ATOM 0 HA LYS A 152 28.431 4.958 4.878 1.00 5.13 H new ATOM 0 HB2 LYS A 152 30.502 2.953 3.927 1.00 5.58 H new ATOM 0 HB3 LYS A 152 30.443 4.590 3.306 1.00 5.58 H new ATOM 0 HG2 LYS A 152 32.062 4.616 5.044 1.00 5.83 H new ATOM 0 HG3 LYS A 152 30.648 5.414 5.703 1.00 5.83 H new ATOM 0 HD2 LYS A 152 31.485 3.907 7.388 1.00 6.32 H new ATOM 0 HD3 LYS A 152 29.978 3.244 6.789 1.00 6.32 H new ATOM 0 HE2 LYS A 152 31.644 1.465 6.988 1.00 6.82 H new ATOM 0 HE3 LYS A 152 31.225 1.702 5.303 1.00 6.82 H new ATOM 0 HZ1 LYS A 152 33.667 1.484 5.858 1.00 7.43 H new ATOM 0 HZ2 LYS A 152 33.238 2.805 4.880 1.00 7.43 H new ATOM 0 HZ3 LYS A 152 33.573 3.042 6.528 1.00 7.43 H new TER 2434 LYS A 152