USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1235 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 99 THR OG1 : rot 180:sc= -0.0816 USER MOD Set 1.2: A 103 GLN : amide:sc= -0.0251 K(o=-0.11,f=-1) USER MOD Set 2.1: A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 67 LYS NZ :NH3+ -161:sc= 0.92 (180deg=0) USER MOD Set 3.2: A 84 GLN : amide:sc= 0.804 K(o=1.7,f=-6.4!) USER MOD Set 4.1: A 26 GLN : amide:sc= 0.255 K(o=0.5,f=0) USER MOD Set 4.2: A 36 GLN :FLIP amide:sc= 0.246 F(o=-0.052,f=0.5) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc=-0.00713 (180deg=-0.172) USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= 1.16 (180deg=0.424) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= 0.28 F(o=-0.41,f=0.28) USER MOD Single : A 24 ASN : amide:sc= 0.284 X(o=0.28,f=-0.0058) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -114:sc= 1.16 (180deg=-1.03) USER MOD Single : A 56 ASN : amide:sc= 0.719 K(o=0.72,f=0) USER MOD Single : A 61 TYR OH : rot 25:sc= 0.768 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0871 USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 1.05 (180deg=0.902) USER MOD Single : A 72 THR OG1 : rot 110:sc= 0.0255 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.91 F(o=-2.4,f=-0.91) USER MOD Single : A 78 ASN : amide:sc= -1.64 K(o=-1.6,f=-4.5!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= 0.385 (180deg=0.0843) USER MOD Single : A 101 THR OG1 : rot -166:sc= 1.94 USER MOD Single : A 106 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.37) USER MOD Single : A 107 SER OG : rot -150:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.36 K(o=1.4,f=-7.3!) USER MOD Single : A 116 GLN : amide:sc= -0.0158 K(o=-0.016,f=-1.3) USER MOD Single : A 119 HIS :FLIP no HD1:sc= -0.0394 F(o=-0.65,f=-0.039) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 165:sc= 0.986 (180deg=0.648) USER MOD Single : A 134 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0173) USER MOD Single : A 135 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0186) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ -164:sc= 0.209 (180deg=0.117) USER MOD Single : A 139 ASN : amide:sc= 0.203 X(o=0.2,f=-0.13) USER MOD Single : A 144 THR OG1 : rot 91:sc= 0.77 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ -171:sc= 0.97 (180deg=0.905) USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N ALA A 3 -19.481 -0.942 7.911 1.00 0.45 N ATOM 31 CA ALA A 3 -18.404 -0.578 7.001 1.00 0.35 C ATOM 32 C ALA A 3 -18.226 -1.647 5.935 1.00 0.33 C ATOM 33 O ALA A 3 -18.081 -1.314 4.769 1.00 0.35 O ATOM 34 CB ALA A 3 -17.091 -0.376 7.757 1.00 0.36 C ATOM 0 HA ALA A 3 -18.675 0.363 6.522 1.00 0.35 H new ATOM 0 HB1 ALA A 3 -16.304 -0.105 7.053 1.00 0.36 H new ATOM 0 HB2 ALA A 3 -17.212 0.421 8.490 1.00 0.36 H new ATOM 0 HB3 ALA A 3 -16.819 -1.300 8.267 1.00 0.36 H new ATOM 40 N SER A 4 -18.270 -2.923 6.325 1.00 0.37 N ATOM 41 CA SER A 4 -18.047 -4.048 5.426 1.00 0.43 C ATOM 42 C SER A 4 -18.941 -3.964 4.205 1.00 0.48 C ATOM 43 O SER A 4 -18.511 -4.261 3.099 1.00 0.50 O ATOM 44 CB SER A 4 -18.242 -5.373 6.151 1.00 0.55 C ATOM 45 OG SER A 4 -19.593 -5.716 6.358 1.00 1.06 O ATOM 0 H SER A 4 -18.464 -3.203 7.286 1.00 0.37 H new ATOM 0 HA SER A 4 -17.013 -3.997 5.085 1.00 0.43 H new ATOM 0 HB2 SER A 4 -17.760 -6.165 5.577 1.00 0.55 H new ATOM 0 HB3 SER A 4 -17.737 -5.326 7.116 1.00 0.55 H new ATOM 0 HG SER A 4 -19.644 -6.576 6.825 1.00 1.06 H new ATOM 51 N ARG A 5 -20.185 -3.527 4.391 1.00 0.52 N ATOM 52 CA ARG A 5 -21.091 -3.388 3.263 1.00 0.60 C ATOM 53 C ARG A 5 -20.524 -2.403 2.264 1.00 0.57 C ATOM 54 O ARG A 5 -20.453 -2.684 1.071 1.00 0.71 O ATOM 55 CB ARG A 5 -22.472 -2.941 3.742 1.00 0.67 C ATOM 56 CG ARG A 5 -22.989 -3.901 4.813 1.00 1.15 C ATOM 57 CD ARG A 5 -24.514 -3.874 4.867 1.00 1.55 C ATOM 58 NE ARG A 5 -25.004 -5.083 5.550 1.00 2.10 N ATOM 59 CZ ARG A 5 -26.202 -5.654 5.378 1.00 2.49 C ATOM 60 NH1 ARG A 5 -26.444 -6.861 5.893 1.00 3.09 N ATOM 61 NH2 ARG A 5 -27.152 -5.023 4.687 1.00 2.80 N ATOM 0 H ARG A 5 -20.579 -3.269 5.296 1.00 0.52 H new ATOM 0 HA ARG A 5 -21.199 -4.356 2.773 1.00 0.60 H new ATOM 0 HB2 ARG A 5 -22.417 -1.930 4.144 1.00 0.67 H new ATOM 0 HB3 ARG A 5 -23.166 -2.912 2.902 1.00 0.67 H new ATOM 0 HG2 ARG A 5 -22.645 -4.913 4.599 1.00 1.15 H new ATOM 0 HG3 ARG A 5 -22.580 -3.625 5.785 1.00 1.15 H new ATOM 0 HD2 ARG A 5 -24.854 -2.983 5.395 1.00 1.55 H new ATOM 0 HD3 ARG A 5 -24.923 -3.823 3.858 1.00 1.55 H new ATOM 0 HE ARG A 5 -24.372 -5.526 6.216 1.00 2.10 H new ATOM 0 HH11 ARG A 5 -25.716 -7.347 6.417 1.00 3.09 H new ATOM 0 HH12 ARG A 5 -27.357 -7.297 5.763 1.00 3.09 H new ATOM 0 HH21 ARG A 5 -26.966 -4.103 4.288 1.00 2.80 H new ATOM 0 HH22 ARG A 5 -28.064 -5.461 4.557 1.00 2.80 H new ATOM 75 N ARG A 6 -20.111 -1.237 2.752 1.00 0.44 N ATOM 76 CA ARG A 6 -19.581 -0.197 1.884 1.00 0.43 C ATOM 77 C ARG A 6 -18.327 -0.714 1.200 1.00 0.35 C ATOM 78 O ARG A 6 -18.164 -0.540 0.004 1.00 0.46 O ATOM 79 CB ARG A 6 -19.270 1.068 2.691 1.00 0.43 C ATOM 80 CG ARG A 6 -20.482 1.574 3.494 1.00 0.58 C ATOM 81 CD ARG A 6 -21.066 2.867 2.928 1.00 1.45 C ATOM 82 NE ARG A 6 -20.081 3.963 2.989 1.00 1.40 N ATOM 83 CZ ARG A 6 -20.319 5.267 2.798 1.00 1.55 C ATOM 84 NH1 ARG A 6 -19.322 6.148 2.910 1.00 2.24 N ATOM 85 NH2 ARG A 6 -21.553 5.680 2.497 1.00 2.08 N ATOM 0 H ARG A 6 -20.134 -0.991 3.742 1.00 0.44 H new ATOM 0 HA ARG A 6 -20.325 0.060 1.130 1.00 0.43 H new ATOM 0 HB2 ARG A 6 -18.446 0.864 3.375 1.00 0.43 H new ATOM 0 HB3 ARG A 6 -18.935 1.853 2.013 1.00 0.43 H new ATOM 0 HG2 ARG A 6 -21.254 0.805 3.502 1.00 0.58 H new ATOM 0 HG3 ARG A 6 -20.184 1.738 4.530 1.00 0.58 H new ATOM 0 HD2 ARG A 6 -21.376 2.709 1.895 1.00 1.45 H new ATOM 0 HD3 ARG A 6 -21.958 3.144 3.490 1.00 1.45 H new ATOM 0 HE ARG A 6 -19.118 3.700 3.199 1.00 1.40 H new ATOM 0 HH11 ARG A 6 -18.382 5.827 3.141 1.00 2.24 H new ATOM 0 HH12 ARG A 6 -19.501 7.142 2.765 1.00 2.24 H new ATOM 0 HH21 ARG A 6 -22.311 5.003 2.413 1.00 2.08 H new ATOM 0 HH22 ARG A 6 -21.737 6.673 2.351 1.00 2.08 H new ATOM 99 N LEU A 7 -17.469 -1.377 1.966 1.00 0.26 N ATOM 100 CA LEU A 7 -16.196 -1.912 1.534 1.00 0.24 C ATOM 101 C LEU A 7 -16.430 -2.974 0.476 1.00 0.25 C ATOM 102 O LEU A 7 -15.600 -3.121 -0.406 1.00 0.28 O ATOM 103 CB LEU A 7 -15.436 -2.483 2.740 1.00 0.22 C ATOM 104 CG LEU A 7 -15.003 -1.377 3.714 1.00 0.26 C ATOM 105 CD1 LEU A 7 -14.671 -1.956 5.088 1.00 0.31 C ATOM 106 CD2 LEU A 7 -13.773 -0.628 3.215 1.00 0.36 C ATOM 0 H LEU A 7 -17.657 -1.562 2.951 1.00 0.26 H new ATOM 0 HA LEU A 7 -15.588 -1.120 1.098 1.00 0.24 H new ATOM 0 HB2 LEU A 7 -16.069 -3.201 3.262 1.00 0.22 H new ATOM 0 HB3 LEU A 7 -14.557 -3.026 2.392 1.00 0.22 H new ATOM 0 HG LEU A 7 -15.845 -0.688 3.784 1.00 0.26 H new ATOM 0 HD11 LEU A 7 -14.367 -1.152 5.758 1.00 0.31 H new ATOM 0 HD12 LEU A 7 -15.551 -2.455 5.495 1.00 0.31 H new ATOM 0 HD13 LEU A 7 -13.858 -2.675 4.993 1.00 0.31 H new ATOM 0 HD21 LEU A 7 -13.501 0.145 3.934 1.00 0.36 H new ATOM 0 HD22 LEU A 7 -12.943 -1.326 3.101 1.00 0.36 H new ATOM 0 HD23 LEU A 7 -13.994 -0.167 2.252 1.00 0.36 H new ATOM 118 N MET A 8 -17.546 -3.700 0.531 1.00 0.25 N ATOM 119 CA MET A 8 -17.863 -4.684 -0.481 1.00 0.29 C ATOM 120 C MET A 8 -18.078 -3.998 -1.811 1.00 0.30 C ATOM 121 O MET A 8 -17.437 -4.364 -2.795 1.00 0.31 O ATOM 122 CB MET A 8 -19.052 -5.556 -0.060 1.00 0.38 C ATOM 123 CG MET A 8 -19.346 -6.599 -1.141 1.00 0.53 C ATOM 124 SD MET A 8 -20.430 -7.944 -0.598 1.00 1.52 S ATOM 125 CE MET A 8 -20.337 -8.985 -2.078 1.00 1.90 C ATOM 0 H MET A 8 -18.242 -3.618 1.272 1.00 0.25 H new ATOM 0 HA MET A 8 -17.020 -5.366 -0.595 1.00 0.29 H new ATOM 0 HB2 MET A 8 -18.833 -6.052 0.885 1.00 0.38 H new ATOM 0 HB3 MET A 8 -19.931 -4.932 0.104 1.00 0.38 H new ATOM 0 HG2 MET A 8 -19.804 -6.101 -1.996 1.00 0.53 H new ATOM 0 HG3 MET A 8 -18.403 -7.024 -1.486 1.00 0.53 H new ATOM 0 HE1 MET A 8 -20.949 -9.876 -1.935 1.00 1.90 H new ATOM 0 HE2 MET A 8 -20.704 -8.427 -2.939 1.00 1.90 H new ATOM 0 HE3 MET A 8 -19.302 -9.279 -2.251 1.00 1.90 H new ATOM 135 N LYS A 9 -18.973 -3.012 -1.860 1.00 0.31 N ATOM 136 CA LYS A 9 -19.244 -2.418 -3.158 1.00 0.40 C ATOM 137 C LYS A 9 -18.036 -1.642 -3.673 1.00 0.32 C ATOM 138 O LYS A 9 -17.674 -1.792 -4.830 1.00 0.37 O ATOM 139 CB LYS A 9 -20.563 -1.656 -3.157 1.00 0.66 C ATOM 140 CG LYS A 9 -20.618 -0.316 -2.431 1.00 1.48 C ATOM 141 CD LYS A 9 -21.604 -0.459 -1.274 1.00 2.09 C ATOM 142 CE LYS A 9 -21.944 0.913 -0.699 1.00 3.73 C ATOM 143 NZ LYS A 9 -22.834 1.667 -1.611 1.00 3.97 N ATOM 0 H LYS A 9 -19.491 -2.630 -1.069 1.00 0.31 H new ATOM 0 HA LYS A 9 -19.393 -3.210 -3.892 1.00 0.40 H new ATOM 0 HB2 LYS A 9 -20.850 -1.485 -4.195 1.00 0.66 H new ATOM 0 HB3 LYS A 9 -21.322 -2.304 -2.719 1.00 0.66 H new ATOM 0 HG2 LYS A 9 -19.631 -0.040 -2.061 1.00 1.48 H new ATOM 0 HG3 LYS A 9 -20.936 0.475 -3.110 1.00 1.48 H new ATOM 0 HD2 LYS A 9 -22.513 -0.952 -1.620 1.00 2.09 H new ATOM 0 HD3 LYS A 9 -21.175 -1.091 -0.497 1.00 2.09 H new ATOM 0 HE2 LYS A 9 -22.428 0.795 0.271 1.00 3.73 H new ATOM 0 HE3 LYS A 9 -21.027 1.478 -0.531 1.00 3.73 H new ATOM 0 HZ1 LYS A 9 -23.265 2.462 -1.097 1.00 3.97 H new ATOM 0 HZ2 LYS A 9 -22.281 2.033 -2.412 1.00 3.97 H new ATOM 0 HZ3 LYS A 9 -23.582 1.037 -1.965 1.00 3.97 H new ATOM 157 N GLU A 10 -17.350 -0.915 -2.792 1.00 0.28 N ATOM 158 CA GLU A 10 -16.140 -0.171 -3.107 1.00 0.28 C ATOM 159 C GLU A 10 -15.080 -1.126 -3.652 1.00 0.23 C ATOM 160 O GLU A 10 -14.388 -0.793 -4.599 1.00 0.29 O ATOM 161 CB GLU A 10 -15.614 0.535 -1.848 1.00 0.33 C ATOM 162 CG GLU A 10 -16.519 1.675 -1.348 1.00 0.54 C ATOM 163 CD GLU A 10 -16.296 3.023 -2.035 1.00 1.10 C ATOM 164 OE1 GLU A 10 -15.253 3.210 -2.697 1.00 1.80 O ATOM 165 OE2 GLU A 10 -17.129 3.935 -1.824 1.00 1.74 O ATOM 0 H GLU A 10 -17.631 -0.828 -1.815 1.00 0.28 H new ATOM 0 HA GLU A 10 -16.368 0.582 -3.862 1.00 0.28 H new ATOM 0 HB2 GLU A 10 -15.500 -0.201 -1.052 1.00 0.33 H new ATOM 0 HB3 GLU A 10 -14.622 0.936 -2.056 1.00 0.33 H new ATOM 0 HG2 GLU A 10 -17.559 1.381 -1.487 1.00 0.54 H new ATOM 0 HG3 GLU A 10 -16.363 1.800 -0.276 1.00 0.54 H new ATOM 172 N LEU A 11 -14.914 -2.314 -3.071 1.00 0.21 N ATOM 173 CA LEU A 11 -13.911 -3.271 -3.516 1.00 0.20 C ATOM 174 C LEU A 11 -14.229 -3.766 -4.907 1.00 0.23 C ATOM 175 O LEU A 11 -13.351 -3.829 -5.767 1.00 0.23 O ATOM 176 CB LEU A 11 -13.845 -4.466 -2.564 1.00 0.22 C ATOM 177 CG LEU A 11 -12.638 -5.355 -2.896 1.00 0.22 C ATOM 178 CD1 LEU A 11 -12.137 -5.976 -1.602 1.00 0.27 C ATOM 179 CD2 LEU A 11 -12.967 -6.483 -3.879 1.00 0.33 C ATOM 0 H LEU A 11 -15.472 -2.636 -2.280 1.00 0.21 H new ATOM 0 HA LEU A 11 -12.947 -2.762 -3.524 1.00 0.20 H new ATOM 0 HB2 LEU A 11 -13.772 -4.114 -1.535 1.00 0.22 H new ATOM 0 HB3 LEU A 11 -14.764 -5.048 -2.638 1.00 0.22 H new ATOM 0 HG LEU A 11 -11.888 -4.723 -3.372 1.00 0.22 H new ATOM 0 HD11 LEU A 11 -11.278 -6.613 -1.813 1.00 0.27 H new ATOM 0 HD12 LEU A 11 -11.842 -5.187 -0.910 1.00 0.27 H new ATOM 0 HD13 LEU A 11 -12.931 -6.574 -1.154 1.00 0.27 H new ATOM 0 HD21 LEU A 11 -12.070 -7.072 -4.070 1.00 0.33 H new ATOM 0 HD22 LEU A 11 -13.738 -7.124 -3.452 1.00 0.33 H new ATOM 0 HD23 LEU A 11 -13.327 -6.056 -4.815 1.00 0.33 H new ATOM 191 N GLU A 12 -15.476 -4.175 -5.117 1.00 0.29 N ATOM 192 CA GLU A 12 -15.859 -4.704 -6.410 1.00 0.40 C ATOM 193 C GLU A 12 -15.656 -3.626 -7.476 1.00 0.37 C ATOM 194 O GLU A 12 -15.092 -3.899 -8.536 1.00 0.36 O ATOM 195 CB GLU A 12 -17.284 -5.263 -6.344 1.00 0.57 C ATOM 196 CG GLU A 12 -17.636 -5.875 -7.703 1.00 0.69 C ATOM 197 CD GLU A 12 -18.677 -6.992 -7.636 1.00 1.14 C ATOM 198 OE1 GLU A 12 -19.465 -7.033 -6.669 1.00 1.50 O ATOM 199 OE2 GLU A 12 -18.639 -7.806 -8.590 1.00 1.90 O ATOM 0 H GLU A 12 -16.221 -4.150 -4.421 1.00 0.29 H new ATOM 0 HA GLU A 12 -15.224 -5.543 -6.694 1.00 0.40 H new ATOM 0 HB2 GLU A 12 -17.358 -6.017 -5.560 1.00 0.57 H new ATOM 0 HB3 GLU A 12 -17.989 -4.471 -6.092 1.00 0.57 H new ATOM 0 HG2 GLU A 12 -18.007 -5.087 -8.359 1.00 0.69 H new ATOM 0 HG3 GLU A 12 -16.727 -6.268 -8.159 1.00 0.69 H new ATOM 206 N GLU A 13 -16.047 -2.394 -7.159 1.00 0.37 N ATOM 207 CA GLU A 13 -15.831 -1.197 -7.952 1.00 0.36 C ATOM 208 C GLU A 13 -14.341 -0.973 -8.203 1.00 0.28 C ATOM 209 O GLU A 13 -13.977 -0.642 -9.323 1.00 0.30 O ATOM 210 CB GLU A 13 -16.476 0.006 -7.245 1.00 0.46 C ATOM 211 CG GLU A 13 -18.004 0.008 -7.454 1.00 1.00 C ATOM 212 CD GLU A 13 -18.803 0.565 -6.263 1.00 2.59 C ATOM 213 OE1 GLU A 13 -18.252 1.404 -5.514 1.00 3.29 O ATOM 214 OE2 GLU A 13 -19.981 0.161 -6.119 1.00 3.88 O ATOM 0 H GLU A 13 -16.550 -2.199 -6.294 1.00 0.37 H new ATOM 0 HA GLU A 13 -16.303 -1.318 -8.927 1.00 0.36 H new ATOM 0 HB2 GLU A 13 -16.250 -0.029 -6.179 1.00 0.46 H new ATOM 0 HB3 GLU A 13 -16.050 0.932 -7.631 1.00 0.46 H new ATOM 0 HG2 GLU A 13 -18.237 0.597 -8.341 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -18.334 -1.012 -7.653 1.00 1.00 H new ATOM 221 N ILE A 14 -13.470 -1.169 -7.208 1.00 0.24 N ATOM 222 CA ILE A 14 -12.029 -0.990 -7.348 1.00 0.21 C ATOM 223 C ILE A 14 -11.524 -1.940 -8.427 1.00 0.20 C ATOM 224 O ILE A 14 -10.923 -1.502 -9.409 1.00 0.23 O ATOM 225 CB ILE A 14 -11.300 -1.170 -5.993 1.00 0.17 C ATOM 226 CG1 ILE A 14 -11.421 0.133 -5.183 1.00 0.20 C ATOM 227 CG2 ILE A 14 -9.798 -1.421 -6.193 1.00 0.18 C ATOM 228 CD1 ILE A 14 -10.831 -0.026 -3.779 1.00 0.18 C ATOM 0 H ILE A 14 -13.754 -1.460 -6.273 1.00 0.24 H new ATOM 0 HA ILE A 14 -11.809 0.031 -7.659 1.00 0.21 H new ATOM 0 HB ILE A 14 -11.756 -2.020 -5.484 1.00 0.17 H new ATOM 0 HG12 ILE A 14 -10.906 0.938 -5.707 1.00 0.20 H new ATOM 0 HG13 ILE A 14 -12.470 0.421 -5.108 1.00 0.20 H new ATOM 0 HG21 ILE A 14 -9.317 -1.543 -5.222 1.00 0.18 H new ATOM 0 HG22 ILE A 14 -9.656 -2.325 -6.784 1.00 0.18 H new ATOM 0 HG23 ILE A 14 -9.354 -0.573 -6.714 1.00 0.18 H new ATOM 0 HD11 ILE A 14 -10.932 0.912 -3.233 1.00 0.18 H new ATOM 0 HD12 ILE A 14 -11.364 -0.814 -3.248 1.00 0.18 H new ATOM 0 HD13 ILE A 14 -9.776 -0.289 -3.855 1.00 0.18 H new ATOM 240 N ARG A 15 -11.764 -3.245 -8.266 1.00 0.22 N ATOM 241 CA ARG A 15 -11.316 -4.224 -9.251 1.00 0.27 C ATOM 242 C ARG A 15 -11.815 -3.821 -10.636 1.00 0.28 C ATOM 243 O ARG A 15 -11.029 -3.715 -11.576 1.00 0.39 O ATOM 244 CB ARG A 15 -11.812 -5.632 -8.901 1.00 0.36 C ATOM 245 CG ARG A 15 -10.912 -6.296 -7.854 1.00 0.95 C ATOM 246 CD ARG A 15 -11.145 -7.811 -7.803 1.00 0.81 C ATOM 247 NE ARG A 15 -10.645 -8.476 -9.021 1.00 1.29 N ATOM 248 CZ ARG A 15 -11.370 -8.966 -10.038 1.00 1.90 C ATOM 249 NH1 ARG A 15 -10.757 -9.500 -11.097 1.00 2.71 N ATOM 250 NH2 ARG A 15 -12.701 -8.920 -10.009 1.00 2.70 N ATOM 0 H ARG A 15 -12.262 -3.642 -7.469 1.00 0.22 H new ATOM 0 HA ARG A 15 -10.226 -4.243 -9.246 1.00 0.27 H new ATOM 0 HB2 ARG A 15 -12.833 -5.577 -8.523 1.00 0.36 H new ATOM 0 HB3 ARG A 15 -11.838 -6.245 -9.802 1.00 0.36 H new ATOM 0 HG2 ARG A 15 -9.867 -6.094 -8.088 1.00 0.95 H new ATOM 0 HG3 ARG A 15 -11.109 -5.862 -6.874 1.00 0.95 H new ATOM 0 HD2 ARG A 15 -10.645 -8.228 -6.928 1.00 0.81 H new ATOM 0 HD3 ARG A 15 -12.210 -8.013 -7.688 1.00 0.81 H new ATOM 0 HE ARG A 15 -9.633 -8.575 -9.099 1.00 1.29 H new ATOM 0 HH11 ARG A 15 -9.738 -9.535 -11.132 1.00 2.71 H new ATOM 0 HH12 ARG A 15 -11.307 -9.873 -11.871 1.00 2.71 H new ATOM 0 HH21 ARG A 15 -13.180 -8.509 -9.208 1.00 2.70 H new ATOM 0 HH22 ARG A 15 -13.241 -9.296 -10.788 1.00 2.70 H new ATOM 264 N LYS A 16 -13.126 -3.593 -10.752 1.00 0.26 N ATOM 265 CA LYS A 16 -13.758 -3.227 -12.018 1.00 0.30 C ATOM 266 C LYS A 16 -13.159 -1.940 -12.593 1.00 0.31 C ATOM 267 O LYS A 16 -13.125 -1.789 -13.809 1.00 0.35 O ATOM 268 CB LYS A 16 -15.282 -3.080 -11.860 1.00 0.36 C ATOM 269 CG LYS A 16 -16.073 -4.331 -12.273 1.00 0.59 C ATOM 270 CD LYS A 16 -15.961 -5.508 -11.300 1.00 1.00 C ATOM 271 CE LYS A 16 -16.969 -6.585 -11.728 1.00 1.31 C ATOM 272 NZ LYS A 16 -17.099 -7.660 -10.725 1.00 2.44 N ATOM 0 H LYS A 16 -13.777 -3.657 -9.970 1.00 0.26 H new ATOM 0 HA LYS A 16 -13.561 -4.037 -12.720 1.00 0.30 H new ATOM 0 HB2 LYS A 16 -15.509 -2.845 -10.820 1.00 0.36 H new ATOM 0 HB3 LYS A 16 -15.620 -2.234 -12.459 1.00 0.36 H new ATOM 0 HG2 LYS A 16 -17.124 -4.062 -12.377 1.00 0.59 H new ATOM 0 HG3 LYS A 16 -15.728 -4.655 -13.255 1.00 0.59 H new ATOM 0 HD2 LYS A 16 -14.948 -5.911 -11.307 1.00 1.00 H new ATOM 0 HD3 LYS A 16 -16.166 -5.179 -10.281 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -17.943 -6.124 -11.891 1.00 1.31 H new ATOM 0 HE3 LYS A 16 -16.656 -7.015 -12.680 1.00 1.31 H new ATOM 0 HZ1 LYS A 16 -17.308 -8.559 -11.205 1.00 2.44 H new ATOM 0 HZ2 LYS A 16 -16.209 -7.749 -10.194 1.00 2.44 H new ATOM 0 HZ3 LYS A 16 -17.872 -7.430 -10.068 1.00 2.44 H new ATOM 286 N CYS A 17 -12.689 -1.021 -11.747 1.00 0.31 N ATOM 287 CA CYS A 17 -12.112 0.243 -12.179 1.00 0.35 C ATOM 288 C CYS A 17 -10.853 -0.027 -12.994 1.00 0.33 C ATOM 289 O CYS A 17 -10.554 0.707 -13.933 1.00 0.42 O ATOM 290 CB CYS A 17 -11.782 1.129 -10.965 1.00 0.37 C ATOM 291 SG CYS A 17 -12.598 2.739 -11.126 1.00 1.45 S ATOM 0 H CYS A 17 -12.701 -1.139 -10.734 1.00 0.31 H new ATOM 0 HA CYS A 17 -12.836 0.772 -12.799 1.00 0.35 H new ATOM 0 HB2 CYS A 17 -12.108 0.638 -10.048 1.00 0.37 H new ATOM 0 HB3 CYS A 17 -10.703 1.266 -10.888 1.00 0.37 H new ATOM 0 HG CYS A 17 -12.313 3.475 -10.093 1.00 1.45 H new ATOM 297 N GLY A 18 -10.114 -1.075 -12.629 1.00 0.27 N ATOM 298 CA GLY A 18 -9.006 -1.567 -13.420 1.00 0.28 C ATOM 299 C GLY A 18 -7.844 -1.900 -12.508 1.00 0.31 C ATOM 300 O GLY A 18 -6.944 -1.079 -12.341 1.00 0.37 O ATOM 0 H GLY A 18 -10.275 -1.603 -11.771 1.00 0.27 H new ATOM 0 HA2 GLY A 18 -9.309 -2.452 -13.979 1.00 0.28 H new ATOM 0 HA3 GLY A 18 -8.705 -0.816 -14.151 1.00 0.28 H new ATOM 304 N MET A 19 -7.855 -3.101 -11.924 1.00 0.35 N ATOM 305 CA MET A 19 -6.745 -3.602 -11.122 1.00 0.43 C ATOM 306 C MET A 19 -5.465 -3.758 -11.944 1.00 0.42 C ATOM 307 O MET A 19 -5.127 -4.852 -12.382 1.00 0.42 O ATOM 308 CB MET A 19 -7.118 -4.922 -10.447 1.00 0.54 C ATOM 309 CG MET A 19 -7.619 -5.997 -11.417 1.00 0.74 C ATOM 310 SD MET A 19 -9.377 -6.377 -11.294 1.00 1.89 S ATOM 311 CE MET A 19 -9.749 -6.610 -13.050 1.00 2.70 C ATOM 0 H MET A 19 -8.637 -3.752 -11.996 1.00 0.35 H new ATOM 0 HA MET A 19 -6.544 -2.859 -10.350 1.00 0.43 H new ATOM 0 HB2 MET A 19 -6.247 -5.305 -9.914 1.00 0.54 H new ATOM 0 HB3 MET A 19 -7.890 -4.732 -9.701 1.00 0.54 H new ATOM 0 HG2 MET A 19 -7.403 -5.675 -12.436 1.00 0.74 H new ATOM 0 HG3 MET A 19 -7.052 -6.912 -11.245 1.00 0.74 H new ATOM 0 HE1 MET A 19 -10.805 -6.855 -13.169 1.00 2.70 H new ATOM 0 HE2 MET A 19 -9.526 -5.692 -13.594 1.00 2.70 H new ATOM 0 HE3 MET A 19 -9.141 -7.424 -13.446 1.00 2.70 H new ATOM 321 N LYS A 20 -4.733 -2.660 -12.126 1.00 0.45 N ATOM 322 CA LYS A 20 -3.451 -2.643 -12.815 1.00 0.43 C ATOM 323 C LYS A 20 -2.319 -2.499 -11.801 1.00 0.47 C ATOM 324 O LYS A 20 -1.378 -3.278 -11.815 1.00 0.94 O ATOM 325 CB LYS A 20 -3.475 -1.565 -13.909 1.00 0.46 C ATOM 326 CG LYS A 20 -3.420 -0.153 -13.323 1.00 2.53 C ATOM 327 CD LYS A 20 -4.031 0.905 -14.240 1.00 2.93 C ATOM 328 CE LYS A 20 -3.273 1.011 -15.567 1.00 2.88 C ATOM 329 NZ LYS A 20 -3.695 2.197 -16.343 1.00 3.82 N ATOM 0 H LYS A 20 -5.023 -1.741 -11.791 1.00 0.45 H new ATOM 0 HA LYS A 20 -3.265 -3.587 -13.327 1.00 0.43 H new ATOM 0 HB2 LYS A 20 -2.630 -1.712 -14.581 1.00 0.46 H new ATOM 0 HB3 LYS A 20 -4.380 -1.675 -14.506 1.00 0.46 H new ATOM 0 HG2 LYS A 20 -3.945 -0.143 -12.368 1.00 2.53 H new ATOM 0 HG3 LYS A 20 -2.382 0.108 -13.119 1.00 2.53 H new ATOM 0 HD2 LYS A 20 -5.074 0.658 -14.436 1.00 2.93 H new ATOM 0 HD3 LYS A 20 -4.021 1.872 -13.737 1.00 2.93 H new ATOM 0 HE2 LYS A 20 -2.202 1.066 -15.371 1.00 2.88 H new ATOM 0 HE3 LYS A 20 -3.443 0.110 -16.157 1.00 2.88 H new ATOM 0 HZ1 LYS A 20 -3.161 2.236 -17.235 1.00 3.82 H new ATOM 0 HZ2 LYS A 20 -4.712 2.132 -16.551 1.00 3.82 H new ATOM 0 HZ3 LYS A 20 -3.509 3.058 -15.790 1.00 3.82 H new ATOM 343 N ASN A 21 -2.439 -1.531 -10.884 1.00 0.30 N ATOM 344 CA ASN A 21 -1.463 -1.283 -9.828 1.00 0.26 C ATOM 345 C ASN A 21 -1.896 -1.974 -8.531 1.00 0.22 C ATOM 346 O ASN A 21 -1.230 -1.832 -7.513 1.00 0.27 O ATOM 347 CB ASN A 21 -1.296 0.228 -9.580 1.00 0.32 C ATOM 348 CG ASN A 21 -0.355 0.927 -10.557 1.00 0.54 C ATOM 349 OD1 ASN A 21 -0.876 1.545 -11.606 1.00 2.03 O flip ATOM 350 ND2 ASN A 21 0.845 0.983 -10.344 1.00 1.43 N flip ATOM 0 H ASN A 21 -3.232 -0.890 -10.859 1.00 0.30 H new ATOM 0 HA ASN A 21 -0.505 -1.692 -10.150 1.00 0.26 H new ATOM 0 HB2 ASN A 21 -2.275 0.703 -9.635 1.00 0.32 H new ATOM 0 HB3 ASN A 21 -0.925 0.379 -8.566 1.00 0.32 H new ATOM 0 HD21 ASN A 21 1.242 0.506 -9.535 1.00 1.43 H new ATOM 0 HD22 ASN A 21 1.451 1.507 -10.975 1.00 1.43 H new ATOM 357 N PHE A 22 -3.017 -2.701 -8.518 1.00 0.26 N ATOM 358 CA PHE A 22 -3.584 -3.274 -7.303 1.00 0.22 C ATOM 359 C PHE A 22 -4.278 -4.588 -7.655 1.00 0.36 C ATOM 360 O PHE A 22 -5.493 -4.636 -7.824 1.00 1.02 O ATOM 361 CB PHE A 22 -4.524 -2.258 -6.632 1.00 0.17 C ATOM 362 CG PHE A 22 -5.454 -1.503 -7.566 1.00 0.17 C ATOM 363 CD1 PHE A 22 -6.757 -1.972 -7.813 1.00 0.20 C ATOM 364 CD2 PHE A 22 -5.009 -0.325 -8.197 1.00 0.27 C ATOM 365 CE1 PHE A 22 -7.591 -1.285 -8.711 1.00 0.27 C ATOM 366 CE2 PHE A 22 -5.846 0.364 -9.092 1.00 0.33 C ATOM 367 CZ PHE A 22 -7.138 -0.121 -9.353 1.00 0.32 C ATOM 0 H PHE A 22 -3.557 -2.907 -9.358 1.00 0.26 H new ATOM 0 HA PHE A 22 -2.802 -3.497 -6.578 1.00 0.22 H new ATOM 0 HB2 PHE A 22 -5.129 -2.784 -5.893 1.00 0.17 H new ATOM 0 HB3 PHE A 22 -3.917 -1.533 -6.089 1.00 0.17 H new ATOM 0 HD1 PHE A 22 -7.116 -2.859 -7.313 1.00 0.20 H new ATOM 0 HD2 PHE A 22 -4.018 0.052 -7.992 1.00 0.27 H new ATOM 0 HE1 PHE A 22 -8.586 -1.654 -8.909 1.00 0.27 H new ATOM 0 HE2 PHE A 22 -5.497 1.263 -9.577 1.00 0.33 H new ATOM 0 HZ PHE A 22 -7.782 0.400 -10.046 1.00 0.32 H new ATOM 377 N ARG A 23 -3.507 -5.665 -7.794 1.00 0.33 N ATOM 378 CA ARG A 23 -4.036 -6.977 -8.162 1.00 0.30 C ATOM 379 C ARG A 23 -4.036 -7.843 -6.917 1.00 0.26 C ATOM 380 O ARG A 23 -3.695 -7.397 -5.828 1.00 0.26 O ATOM 381 CB ARG A 23 -3.181 -7.619 -9.283 1.00 0.39 C ATOM 382 CG ARG A 23 -3.703 -7.308 -10.691 1.00 0.91 C ATOM 383 CD ARG A 23 -4.736 -8.336 -11.184 1.00 1.66 C ATOM 384 NE ARG A 23 -4.113 -9.541 -11.770 1.00 2.40 N ATOM 385 CZ ARG A 23 -4.309 -10.832 -11.464 1.00 3.35 C ATOM 386 NH1 ARG A 23 -3.666 -11.782 -12.135 1.00 4.65 N ATOM 387 NH2 ARG A 23 -5.153 -11.190 -10.492 1.00 3.90 N ATOM 0 H ARG A 23 -2.497 -5.652 -7.654 1.00 0.33 H new ATOM 0 HA ARG A 23 -5.050 -6.879 -8.549 1.00 0.30 H new ATOM 0 HB2 ARG A 23 -2.154 -7.265 -9.196 1.00 0.39 H new ATOM 0 HB3 ARG A 23 -3.158 -8.699 -9.141 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -4.154 -6.316 -10.695 1.00 0.91 H new ATOM 0 HG3 ARG A 23 -2.864 -7.280 -11.387 1.00 0.91 H new ATOM 0 HD2 ARG A 23 -5.373 -8.631 -10.351 1.00 1.66 H new ATOM 0 HD3 ARG A 23 -5.381 -7.868 -11.928 1.00 1.66 H new ATOM 0 HE ARG A 23 -3.437 -9.366 -12.514 1.00 2.40 H new ATOM 0 HH11 ARG A 23 -3.022 -11.530 -12.885 1.00 4.65 H new ATOM 0 HH12 ARG A 23 -3.817 -12.763 -11.900 1.00 4.65 H new ATOM 0 HH21 ARG A 23 -5.661 -10.476 -9.969 1.00 3.90 H new ATOM 0 HH22 ARG A 23 -5.290 -12.177 -10.273 1.00 3.90 H new ATOM 401 N ASN A 24 -4.465 -9.095 -7.071 1.00 0.25 N ATOM 402 CA ASN A 24 -4.683 -9.998 -5.955 1.00 0.22 C ATOM 403 C ASN A 24 -5.502 -9.307 -4.862 1.00 0.26 C ATOM 404 O ASN A 24 -5.268 -9.543 -3.686 1.00 0.35 O ATOM 405 CB ASN A 24 -3.331 -10.515 -5.442 1.00 0.25 C ATOM 406 CG ASN A 24 -3.442 -11.874 -4.770 1.00 0.39 C ATOM 407 OD1 ASN A 24 -3.156 -12.890 -5.386 1.00 1.35 O ATOM 408 ND2 ASN A 24 -3.840 -11.920 -3.510 1.00 1.33 N ATOM 0 H ASN A 24 -4.671 -9.508 -7.981 1.00 0.25 H new ATOM 0 HA ASN A 24 -5.263 -10.861 -6.282 1.00 0.22 H new ATOM 0 HB2 ASN A 24 -2.632 -10.582 -6.275 1.00 0.25 H new ATOM 0 HB3 ASN A 24 -2.916 -9.797 -4.735 1.00 0.25 H new ATOM 0 HD21 ASN A 24 -3.914 -12.817 -3.031 1.00 1.33 H new ATOM 0 HD22 ASN A 24 -4.073 -11.058 -3.017 1.00 1.33 H new ATOM 415 N ILE A 25 -6.452 -8.439 -5.225 1.00 0.24 N ATOM 416 CA ILE A 25 -7.387 -7.908 -4.248 1.00 0.25 C ATOM 417 C ILE A 25 -8.167 -9.118 -3.736 1.00 0.28 C ATOM 418 O ILE A 25 -8.810 -9.803 -4.532 1.00 0.28 O ATOM 419 CB ILE A 25 -8.287 -6.821 -4.891 1.00 0.23 C ATOM 420 CG1 ILE A 25 -7.741 -5.417 -4.581 1.00 0.27 C ATOM 421 CG2 ILE A 25 -9.728 -6.905 -4.375 1.00 0.35 C ATOM 422 CD1 ILE A 25 -8.533 -4.320 -5.279 1.00 0.26 C ATOM 0 H ILE A 25 -6.587 -8.097 -6.177 1.00 0.24 H new ATOM 0 HA ILE A 25 -6.893 -7.404 -3.417 1.00 0.25 H new ATOM 0 HB ILE A 25 -8.282 -6.998 -5.966 1.00 0.23 H new ATOM 0 HG12 ILE A 25 -7.765 -5.250 -3.504 1.00 0.27 H new ATOM 0 HG13 ILE A 25 -6.697 -5.360 -4.889 1.00 0.27 H new ATOM 0 HG21 ILE A 25 -10.329 -6.128 -4.847 1.00 0.35 H new ATOM 0 HG22 ILE A 25 -10.144 -7.883 -4.616 1.00 0.35 H new ATOM 0 HG23 ILE A 25 -9.736 -6.763 -3.294 1.00 0.35 H new ATOM 0 HD11 ILE A 25 -8.108 -3.348 -5.028 1.00 0.26 H new ATOM 0 HD12 ILE A 25 -8.487 -4.468 -6.358 1.00 0.26 H new ATOM 0 HD13 ILE A 25 -9.572 -4.357 -4.952 1.00 0.26 H new ATOM 434 N GLN A 26 -8.107 -9.392 -2.433 1.00 0.32 N ATOM 435 CA GLN A 26 -8.924 -10.415 -1.808 1.00 0.34 C ATOM 436 C GLN A 26 -9.458 -9.852 -0.501 1.00 0.39 C ATOM 437 O GLN A 26 -8.923 -8.879 0.037 1.00 0.39 O ATOM 438 CB GLN A 26 -8.151 -11.721 -1.565 1.00 0.37 C ATOM 439 CG GLN A 26 -7.096 -11.976 -2.643 1.00 0.35 C ATOM 440 CD GLN A 26 -6.602 -13.414 -2.674 1.00 0.47 C ATOM 441 OE1 GLN A 26 -6.695 -14.094 -3.686 1.00 1.82 O ATOM 442 NE2 GLN A 26 -6.036 -13.899 -1.578 1.00 1.51 N ATOM 0 H GLN A 26 -7.487 -8.906 -1.785 1.00 0.32 H new ATOM 0 HA GLN A 26 -9.742 -10.674 -2.480 1.00 0.34 H new ATOM 0 HB2 GLN A 26 -7.668 -11.679 -0.589 1.00 0.37 H new ATOM 0 HB3 GLN A 26 -8.851 -12.556 -1.539 1.00 0.37 H new ATOM 0 HG2 GLN A 26 -7.513 -11.722 -3.617 1.00 0.35 H new ATOM 0 HG3 GLN A 26 -6.248 -11.312 -2.476 1.00 0.35 H new ATOM 0 HE21 GLN A 26 -5.966 -13.320 -0.741 1.00 1.51 H new ATOM 0 HE22 GLN A 26 -5.671 -14.851 -1.571 1.00 1.51 H new ATOM 451 N VAL A 27 -10.529 -10.460 -0.008 1.00 0.44 N ATOM 452 CA VAL A 27 -11.222 -10.024 1.182 1.00 0.47 C ATOM 453 C VAL A 27 -11.679 -11.307 1.876 1.00 0.57 C ATOM 454 O VAL A 27 -12.044 -12.260 1.187 1.00 0.68 O ATOM 455 CB VAL A 27 -12.329 -9.057 0.719 1.00 0.45 C ATOM 456 CG1 VAL A 27 -13.563 -9.756 0.135 1.00 0.57 C ATOM 457 CG2 VAL A 27 -12.752 -8.113 1.832 1.00 0.52 C ATOM 0 H VAL A 27 -10.943 -11.287 -0.438 1.00 0.44 H new ATOM 0 HA VAL A 27 -10.637 -9.465 1.912 1.00 0.47 H new ATOM 0 HB VAL A 27 -11.877 -8.484 -0.090 1.00 0.45 H new ATOM 0 HG11 VAL A 27 -14.296 -9.008 -0.167 1.00 0.57 H new ATOM 0 HG12 VAL A 27 -13.270 -10.348 -0.732 1.00 0.57 H new ATOM 0 HG13 VAL A 27 -14.002 -10.410 0.889 1.00 0.57 H new ATOM 0 HG21 VAL A 27 -13.534 -7.447 1.467 1.00 0.52 H new ATOM 0 HG22 VAL A 27 -13.132 -8.691 2.674 1.00 0.52 H new ATOM 0 HG23 VAL A 27 -11.894 -7.523 2.154 1.00 0.52 H new ATOM 467 N ASP A 28 -11.582 -11.390 3.204 1.00 0.55 N ATOM 468 CA ASP A 28 -12.049 -12.579 3.921 1.00 0.62 C ATOM 469 C ASP A 28 -13.580 -12.606 3.891 1.00 0.56 C ATOM 470 O ASP A 28 -14.196 -11.605 3.540 1.00 0.52 O ATOM 471 CB ASP A 28 -11.478 -12.573 5.340 1.00 0.64 C ATOM 472 CG ASP A 28 -11.717 -13.908 6.036 1.00 0.75 C ATOM 473 OD1 ASP A 28 -10.868 -14.804 5.872 1.00 2.28 O ATOM 474 OD2 ASP A 28 -12.776 -14.028 6.692 1.00 2.10 O ATOM 0 H ASP A 28 -11.190 -10.660 3.798 1.00 0.55 H new ATOM 0 HA ASP A 28 -11.697 -13.492 3.442 1.00 0.62 H new ATOM 0 HB2 ASP A 28 -10.409 -12.365 5.304 1.00 0.64 H new ATOM 0 HB3 ASP A 28 -11.939 -11.771 5.917 1.00 0.64 H new ATOM 479 N GLU A 29 -14.228 -13.723 4.226 1.00 0.65 N ATOM 480 CA GLU A 29 -15.686 -13.740 4.299 1.00 0.65 C ATOM 481 C GLU A 29 -16.143 -13.179 5.642 1.00 0.55 C ATOM 482 O GLU A 29 -17.024 -12.323 5.704 1.00 0.56 O ATOM 483 CB GLU A 29 -16.235 -15.161 4.111 1.00 0.79 C ATOM 484 CG GLU A 29 -16.248 -15.556 2.629 1.00 1.88 C ATOM 485 CD GLU A 29 -17.126 -16.788 2.392 1.00 2.09 C ATOM 486 OE1 GLU A 29 -18.360 -16.643 2.539 1.00 2.45 O ATOM 487 OE2 GLU A 29 -16.556 -17.851 2.063 1.00 2.91 O ATOM 0 H GLU A 29 -13.776 -14.610 4.447 1.00 0.65 H new ATOM 0 HA GLU A 29 -16.075 -13.118 3.493 1.00 0.65 H new ATOM 0 HB2 GLU A 29 -15.625 -15.867 4.674 1.00 0.79 H new ATOM 0 HB3 GLU A 29 -17.246 -15.220 4.515 1.00 0.79 H new ATOM 0 HG2 GLU A 29 -16.617 -14.723 2.031 1.00 1.88 H new ATOM 0 HG3 GLU A 29 -15.231 -15.762 2.296 1.00 1.88 H new ATOM 494 N ALA A 30 -15.567 -13.682 6.731 1.00 0.52 N ATOM 495 CA ALA A 30 -15.931 -13.253 8.071 1.00 0.49 C ATOM 496 C ALA A 30 -15.278 -11.903 8.339 1.00 0.38 C ATOM 497 O ALA A 30 -15.943 -10.901 8.600 1.00 0.39 O ATOM 498 CB ALA A 30 -15.481 -14.302 9.093 1.00 0.57 C ATOM 0 H ALA A 30 -14.838 -14.395 6.706 1.00 0.52 H new ATOM 0 HA ALA A 30 -17.012 -13.149 8.159 1.00 0.49 H new ATOM 0 HB1 ALA A 30 -15.757 -13.975 10.096 1.00 0.57 H new ATOM 0 HB2 ALA A 30 -15.966 -15.253 8.876 1.00 0.57 H new ATOM 0 HB3 ALA A 30 -14.399 -14.425 9.036 1.00 0.57 H new ATOM 504 N ASN A 31 -13.952 -11.863 8.241 1.00 0.39 N ATOM 505 CA ASN A 31 -13.167 -10.657 8.434 1.00 0.35 C ATOM 506 C ASN A 31 -13.118 -9.848 7.135 1.00 0.28 C ATOM 507 O ASN A 31 -12.075 -9.292 6.810 1.00 0.34 O ATOM 508 CB ASN A 31 -11.762 -11.049 8.936 1.00 0.48 C ATOM 509 CG ASN A 31 -11.717 -11.062 10.454 1.00 1.56 C ATOM 510 OD1 ASN A 31 -12.168 -12.000 11.097 1.00 2.99 O ATOM 511 ND2 ASN A 31 -11.192 -10.004 11.060 1.00 2.29 N ATOM 0 H ASN A 31 -13.388 -12.684 8.021 1.00 0.39 H new ATOM 0 HA ASN A 31 -13.629 -10.018 9.187 1.00 0.35 H new ATOM 0 HB2 ASN A 31 -11.495 -12.033 8.551 1.00 0.48 H new ATOM 0 HB3 ASN A 31 -11.024 -10.345 8.552 1.00 0.48 H new ATOM 0 HD21 ASN A 31 -11.160 -9.964 12.079 1.00 2.29 H new ATOM 0 HD22 ASN A 31 -10.821 -9.231 10.507 1.00 2.29 H new ATOM 518 N LEU A 32 -14.226 -9.727 6.392 1.00 0.25 N ATOM 519 CA LEU A 32 -14.217 -9.012 5.112 1.00 0.31 C ATOM 520 C LEU A 32 -13.867 -7.530 5.293 1.00 0.27 C ATOM 521 O LEU A 32 -13.431 -6.849 4.371 1.00 0.31 O ATOM 522 CB LEU A 32 -15.532 -9.249 4.340 1.00 0.44 C ATOM 523 CG LEU A 32 -16.619 -8.180 4.487 1.00 0.42 C ATOM 524 CD1 LEU A 32 -16.453 -7.027 3.484 1.00 0.49 C ATOM 525 CD2 LEU A 32 -17.993 -8.804 4.223 1.00 0.52 C ATOM 0 H LEU A 32 -15.133 -10.112 6.654 1.00 0.25 H new ATOM 0 HA LEU A 32 -13.421 -9.423 4.492 1.00 0.31 H new ATOM 0 HB2 LEU A 32 -15.292 -9.347 3.281 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -15.948 -10.204 4.662 1.00 0.44 H new ATOM 0 HG LEU A 32 -16.532 -7.789 5.501 1.00 0.42 H new ATOM 0 HD11 LEU A 32 -17.250 -6.298 3.632 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -15.487 -6.546 3.639 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -16.504 -7.418 2.468 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -18.765 -8.042 4.328 1.00 0.52 H new ATOM 0 HD22 LEU A 32 -18.020 -9.211 3.212 1.00 0.52 H new ATOM 0 HD23 LEU A 32 -18.173 -9.604 4.941 1.00 0.52 H new ATOM 537 N LEU A 33 -14.051 -7.020 6.510 1.00 0.22 N ATOM 538 CA LEU A 33 -13.560 -5.719 6.930 1.00 0.24 C ATOM 539 C LEU A 33 -12.083 -5.532 6.570 1.00 0.31 C ATOM 540 O LEU A 33 -11.692 -4.472 6.087 1.00 0.68 O ATOM 541 CB LEU A 33 -13.791 -5.596 8.440 1.00 0.28 C ATOM 542 CG LEU A 33 -15.253 -5.291 8.789 1.00 0.32 C ATOM 543 CD1 LEU A 33 -15.379 -5.244 10.304 1.00 0.38 C ATOM 544 CD2 LEU A 33 -15.733 -3.943 8.243 1.00 0.41 C ATOM 0 H LEU A 33 -14.558 -7.515 7.244 1.00 0.22 H new ATOM 0 HA LEU A 33 -14.101 -4.931 6.406 1.00 0.24 H new ATOM 0 HB2 LEU A 33 -13.491 -6.524 8.927 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -13.154 -4.807 8.838 1.00 0.28 H new ATOM 0 HG LEU A 33 -15.864 -6.072 8.337 1.00 0.32 H new ATOM 0 HD11 LEU A 33 -16.412 -5.028 10.577 1.00 0.38 H new ATOM 0 HD12 LEU A 33 -15.087 -6.207 10.723 1.00 0.38 H new ATOM 0 HD13 LEU A 33 -14.729 -4.463 10.699 1.00 0.38 H new ATOM 0 HD21 LEU A 33 -16.775 -3.787 8.524 1.00 0.41 H new ATOM 0 HD22 LEU A 33 -15.121 -3.143 8.659 1.00 0.41 H new ATOM 0 HD23 LEU A 33 -15.646 -3.939 7.157 1.00 0.41 H new ATOM 556 N THR A 34 -11.250 -6.540 6.810 1.00 0.24 N ATOM 557 CA THR A 34 -9.847 -6.492 6.452 1.00 0.22 C ATOM 558 C THR A 34 -9.636 -6.944 5.010 1.00 0.21 C ATOM 559 O THR A 34 -10.293 -7.851 4.504 1.00 0.24 O ATOM 560 CB THR A 34 -9.041 -7.370 7.415 1.00 0.25 C ATOM 561 OG1 THR A 34 -9.316 -6.992 8.748 1.00 0.36 O ATOM 562 CG2 THR A 34 -7.538 -7.202 7.185 1.00 0.25 C ATOM 0 H THR A 34 -11.534 -7.411 7.259 1.00 0.24 H new ATOM 0 HA THR A 34 -9.500 -5.462 6.531 1.00 0.22 H new ATOM 0 HB THR A 34 -9.327 -8.406 7.235 1.00 0.25 H new ATOM 0 HG1 THR A 34 -8.800 -7.556 9.361 1.00 0.36 H new ATOM 0 HG21 THR A 34 -6.990 -7.836 7.882 1.00 0.25 H new ATOM 0 HG22 THR A 34 -7.292 -7.489 6.163 1.00 0.25 H new ATOM 0 HG23 THR A 34 -7.259 -6.161 7.346 1.00 0.25 H new ATOM 570 N TRP A 35 -8.675 -6.295 4.356 1.00 0.18 N ATOM 571 CA TRP A 35 -8.355 -6.482 2.953 1.00 0.17 C ATOM 572 C TRP A 35 -6.942 -7.024 2.845 1.00 0.16 C ATOM 573 O TRP A 35 -6.088 -6.697 3.669 1.00 0.18 O ATOM 574 CB TRP A 35 -8.398 -5.133 2.240 1.00 0.17 C ATOM 575 CG TRP A 35 -9.735 -4.490 2.100 1.00 0.16 C ATOM 576 CD1 TRP A 35 -10.654 -4.352 3.075 1.00 0.19 C ATOM 577 CD2 TRP A 35 -10.297 -3.834 0.932 1.00 0.16 C ATOM 578 NE1 TRP A 35 -11.767 -3.719 2.587 1.00 0.21 N ATOM 579 CE2 TRP A 35 -11.600 -3.355 1.265 1.00 0.18 C ATOM 580 CE3 TRP A 35 -9.812 -3.567 -0.366 1.00 0.20 C ATOM 581 CZ2 TRP A 35 -12.386 -2.656 0.338 1.00 0.21 C ATOM 582 CZ3 TRP A 35 -10.591 -2.863 -1.298 1.00 0.23 C ATOM 583 CH2 TRP A 35 -11.877 -2.416 -0.950 1.00 0.22 C ATOM 0 H TRP A 35 -8.080 -5.601 4.809 1.00 0.18 H new ATOM 0 HA TRP A 35 -9.071 -7.170 2.503 1.00 0.17 H new ATOM 0 HB2 TRP A 35 -7.744 -4.445 2.776 1.00 0.17 H new ATOM 0 HB3 TRP A 35 -7.977 -5.262 1.243 1.00 0.17 H new ATOM 0 HD1 TRP A 35 -10.531 -4.691 4.093 1.00 0.19 H new ATOM 0 HE1 TRP A 35 -12.611 -3.539 3.131 1.00 0.21 H new ATOM 0 HE3 TRP A 35 -8.827 -3.909 -0.647 1.00 0.20 H new ATOM 0 HZ2 TRP A 35 -13.371 -2.306 0.610 1.00 0.21 H new ATOM 0 HZ3 TRP A 35 -10.201 -2.664 -2.285 1.00 0.23 H new ATOM 0 HH2 TRP A 35 -12.477 -1.886 -1.675 1.00 0.22 H new ATOM 594 N GLN A 36 -6.671 -7.806 1.805 1.00 0.16 N ATOM 595 CA GLN A 36 -5.358 -8.386 1.608 1.00 0.21 C ATOM 596 C GLN A 36 -5.098 -8.586 0.122 1.00 0.33 C ATOM 597 O GLN A 36 -5.775 -9.380 -0.528 1.00 0.84 O ATOM 598 CB GLN A 36 -5.265 -9.700 2.390 1.00 0.36 C ATOM 599 CG GLN A 36 -6.497 -10.610 2.207 1.00 0.50 C ATOM 600 CD GLN A 36 -6.080 -12.068 2.097 1.00 0.70 C ATOM 601 OE1 GLN A 36 -5.321 -12.401 1.059 1.00 1.67 O flip ATOM 602 NE2 GLN A 36 -6.397 -12.895 2.938 1.00 2.57 N flip ATOM 0 H GLN A 36 -7.351 -8.050 1.085 1.00 0.16 H new ATOM 0 HA GLN A 36 -4.587 -7.713 1.985 1.00 0.21 H new ATOM 0 HB2 GLN A 36 -4.373 -10.240 2.073 1.00 0.36 H new ATOM 0 HB3 GLN A 36 -5.142 -9.476 3.450 1.00 0.36 H new ATOM 0 HG2 GLN A 36 -7.176 -10.484 3.050 1.00 0.50 H new ATOM 0 HG3 GLN A 36 -7.043 -10.315 1.311 1.00 0.50 H new ATOM 0 HE21 GLN A 36 -6.981 -12.621 3.728 1.00 2.57 H new ATOM 0 HE22 GLN A 36 -6.078 -13.860 2.850 1.00 2.57 H new ATOM 611 N GLY A 37 -4.102 -7.888 -0.420 1.00 0.25 N ATOM 612 CA GLY A 37 -3.761 -8.007 -1.824 1.00 0.25 C ATOM 613 C GLY A 37 -2.412 -7.372 -2.083 1.00 0.39 C ATOM 614 O GLY A 37 -1.711 -7.028 -1.137 1.00 0.69 O ATOM 0 H GLY A 37 -3.518 -7.233 0.100 1.00 0.25 H new ATOM 0 HA2 GLY A 37 -3.740 -9.057 -2.114 1.00 0.25 H new ATOM 0 HA3 GLY A 37 -4.523 -7.523 -2.434 1.00 0.25 H new ATOM 618 N LEU A 38 -2.013 -7.231 -3.343 1.00 0.22 N ATOM 619 CA LEU A 38 -0.707 -6.688 -3.667 1.00 0.21 C ATOM 620 C LEU A 38 -0.875 -5.464 -4.536 1.00 0.21 C ATOM 621 O LEU A 38 -1.863 -5.309 -5.253 1.00 0.27 O ATOM 622 CB LEU A 38 0.224 -7.760 -4.262 1.00 0.22 C ATOM 623 CG LEU A 38 -0.217 -8.390 -5.598 1.00 0.22 C ATOM 624 CD1 LEU A 38 0.056 -7.501 -6.815 1.00 0.25 C ATOM 625 CD2 LEU A 38 0.553 -9.693 -5.814 1.00 0.29 C ATOM 0 H LEU A 38 -2.578 -7.486 -4.153 1.00 0.22 H new ATOM 0 HA LEU A 38 -0.205 -6.367 -2.755 1.00 0.21 H new ATOM 0 HB2 LEU A 38 1.209 -7.316 -4.403 1.00 0.22 H new ATOM 0 HB3 LEU A 38 0.337 -8.559 -3.529 1.00 0.22 H new ATOM 0 HG LEU A 38 -1.294 -8.542 -5.521 1.00 0.22 H new ATOM 0 HD11 LEU A 38 -0.280 -8.009 -7.719 1.00 0.25 H new ATOM 0 HD12 LEU A 38 -0.483 -6.560 -6.706 1.00 0.25 H new ATOM 0 HD13 LEU A 38 1.125 -7.301 -6.887 1.00 0.25 H new ATOM 0 HD21 LEU A 38 0.246 -10.145 -6.757 1.00 0.29 H new ATOM 0 HD22 LEU A 38 1.622 -9.483 -5.843 1.00 0.29 H new ATOM 0 HD23 LEU A 38 0.340 -10.381 -4.996 1.00 0.29 H new ATOM 637 N ILE A 39 0.115 -4.587 -4.471 1.00 0.26 N ATOM 638 CA ILE A 39 0.144 -3.405 -5.292 1.00 0.27 C ATOM 639 C ILE A 39 1.302 -3.588 -6.254 1.00 0.25 C ATOM 640 O ILE A 39 2.455 -3.708 -5.840 1.00 0.36 O ATOM 641 CB ILE A 39 0.170 -2.128 -4.439 1.00 0.25 C ATOM 642 CG1 ILE A 39 1.176 -2.204 -3.276 1.00 0.23 C ATOM 643 CG2 ILE A 39 -1.250 -1.901 -3.894 1.00 0.30 C ATOM 644 CD1 ILE A 39 1.168 -0.939 -2.420 1.00 0.24 C ATOM 0 H ILE A 39 0.916 -4.682 -3.846 1.00 0.26 H new ATOM 0 HA ILE A 39 -0.765 -3.273 -5.879 1.00 0.27 H new ATOM 0 HB ILE A 39 0.495 -1.298 -5.067 1.00 0.25 H new ATOM 0 HG12 ILE A 39 0.941 -3.065 -2.650 1.00 0.23 H new ATOM 0 HG13 ILE A 39 2.178 -2.364 -3.675 1.00 0.23 H new ATOM 0 HG21 ILE A 39 -1.265 -0.999 -3.282 1.00 0.30 H new ATOM 0 HG22 ILE A 39 -1.945 -1.787 -4.726 1.00 0.30 H new ATOM 0 HG23 ILE A 39 -1.548 -2.756 -3.287 1.00 0.30 H new ATOM 0 HD11 ILE A 39 1.894 -1.041 -1.613 1.00 0.24 H new ATOM 0 HD12 ILE A 39 1.430 -0.080 -3.038 1.00 0.24 H new ATOM 0 HD13 ILE A 39 0.174 -0.792 -1.997 1.00 0.24 H new ATOM 656 N VAL A 40 0.954 -3.719 -7.532 1.00 0.29 N ATOM 657 CA VAL A 40 1.892 -3.822 -8.628 1.00 0.31 C ATOM 658 C VAL A 40 2.438 -2.413 -8.826 1.00 0.32 C ATOM 659 O VAL A 40 1.659 -1.504 -9.093 1.00 0.54 O ATOM 660 CB VAL A 40 1.186 -4.313 -9.900 1.00 0.41 C ATOM 661 CG1 VAL A 40 2.209 -4.651 -10.985 1.00 0.49 C ATOM 662 CG2 VAL A 40 0.336 -5.554 -9.620 1.00 0.50 C ATOM 0 H VAL A 40 -0.020 -3.757 -7.834 1.00 0.29 H new ATOM 0 HA VAL A 40 2.686 -4.538 -8.416 1.00 0.31 H new ATOM 0 HB VAL A 40 0.537 -3.507 -10.242 1.00 0.41 H new ATOM 0 HG11 VAL A 40 1.690 -4.997 -11.879 1.00 0.49 H new ATOM 0 HG12 VAL A 40 2.792 -3.762 -11.225 1.00 0.49 H new ATOM 0 HG13 VAL A 40 2.875 -5.435 -10.625 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -0.151 -5.877 -10.540 1.00 0.50 H new ATOM 0 HG22 VAL A 40 0.974 -6.355 -9.246 1.00 0.50 H new ATOM 0 HG23 VAL A 40 -0.421 -5.315 -8.873 1.00 0.50 H new ATOM 672 N PRO A 41 3.736 -2.195 -8.626 1.00 0.36 N ATOM 673 CA PRO A 41 4.361 -0.923 -8.921 1.00 0.42 C ATOM 674 C PRO A 41 4.633 -0.775 -10.418 1.00 0.33 C ATOM 675 O PRO A 41 4.461 -1.721 -11.183 1.00 0.37 O ATOM 676 CB PRO A 41 5.673 -0.931 -8.141 1.00 0.69 C ATOM 677 CG PRO A 41 5.869 -2.366 -7.643 1.00 0.66 C ATOM 678 CD PRO A 41 4.687 -3.170 -8.153 1.00 0.60 C ATOM 0 HA PRO A 41 3.719 -0.088 -8.641 1.00 0.42 H new ATOM 0 HB2 PRO A 41 6.504 -0.623 -8.775 1.00 0.69 H new ATOM 0 HB3 PRO A 41 5.633 -0.232 -7.306 1.00 0.69 H new ATOM 0 HG2 PRO A 41 6.807 -2.779 -8.014 1.00 0.66 H new ATOM 0 HG3 PRO A 41 5.916 -2.395 -6.554 1.00 0.66 H new ATOM 0 HD2 PRO A 41 4.988 -3.846 -8.954 1.00 0.60 H new ATOM 0 HD3 PRO A 41 4.259 -3.784 -7.361 1.00 0.60 H new ATOM 686 N ASP A 42 5.137 0.399 -10.803 1.00 0.35 N ATOM 687 CA ASP A 42 5.561 0.722 -12.162 1.00 0.36 C ATOM 688 C ASP A 42 6.992 1.273 -12.098 1.00 0.35 C ATOM 689 O ASP A 42 7.902 0.735 -12.719 1.00 0.35 O ATOM 690 CB ASP A 42 4.582 1.738 -12.783 1.00 0.52 C ATOM 691 CG ASP A 42 3.809 1.164 -13.971 1.00 0.92 C ATOM 692 OD1 ASP A 42 4.478 0.613 -14.872 1.00 1.79 O ATOM 693 OD2 ASP A 42 2.567 1.333 -13.987 1.00 1.54 O ATOM 0 H ASP A 42 5.264 1.175 -10.154 1.00 0.35 H new ATOM 0 HA ASP A 42 5.553 -0.165 -12.796 1.00 0.36 H new ATOM 0 HB2 ASP A 42 3.876 2.068 -12.021 1.00 0.52 H new ATOM 0 HB3 ASP A 42 5.136 2.619 -13.107 1.00 0.52 H new ATOM 698 N ASN A 43 7.192 2.343 -11.319 1.00 0.37 N ATOM 699 CA ASN A 43 8.481 2.997 -11.089 1.00 0.34 C ATOM 700 C ASN A 43 9.532 2.036 -10.516 1.00 0.33 C ATOM 701 O ASN A 43 10.563 1.829 -11.151 1.00 0.36 O ATOM 702 CB ASN A 43 8.317 4.256 -10.209 1.00 0.37 C ATOM 703 CG ASN A 43 8.400 5.532 -11.031 1.00 0.56 C ATOM 704 OD1 ASN A 43 9.484 6.040 -11.287 1.00 0.67 O ATOM 705 ND2 ASN A 43 7.269 6.067 -11.468 1.00 0.74 N ATOM 0 H ASN A 43 6.429 2.793 -10.813 1.00 0.37 H new ATOM 0 HA ASN A 43 8.855 3.316 -12.062 1.00 0.34 H new ATOM 0 HB2 ASN A 43 7.357 4.217 -9.694 1.00 0.37 H new ATOM 0 HB3 ASN A 43 9.091 4.267 -9.441 1.00 0.37 H new ATOM 0 HD21 ASN A 43 7.291 6.918 -12.029 1.00 0.74 H new ATOM 0 HD22 ASN A 43 6.377 5.627 -11.243 1.00 0.74 H new ATOM 712 N PRO A 44 9.360 1.494 -9.297 1.00 0.30 N ATOM 713 CA PRO A 44 10.343 0.583 -8.734 1.00 0.28 C ATOM 714 C PRO A 44 10.302 -0.765 -9.469 1.00 0.25 C ATOM 715 O PRO A 44 9.333 -1.053 -10.167 1.00 0.30 O ATOM 716 CB PRO A 44 9.999 0.474 -7.243 1.00 0.28 C ATOM 717 CG PRO A 44 8.518 0.816 -7.175 1.00 0.28 C ATOM 718 CD PRO A 44 8.287 1.756 -8.359 1.00 0.29 C ATOM 0 HA PRO A 44 11.367 0.939 -8.851 1.00 0.28 H new ATOM 0 HB2 PRO A 44 10.194 -0.528 -6.862 1.00 0.28 H new ATOM 0 HB3 PRO A 44 10.595 1.164 -6.645 1.00 0.28 H new ATOM 0 HG2 PRO A 44 7.900 -0.079 -7.252 1.00 0.28 H new ATOM 0 HG3 PRO A 44 8.265 1.298 -6.231 1.00 0.28 H new ATOM 0 HD2 PRO A 44 7.315 1.573 -8.818 1.00 0.29 H new ATOM 0 HD3 PRO A 44 8.297 2.797 -8.037 1.00 0.29 H new ATOM 726 N PRO A 45 11.348 -1.592 -9.303 1.00 0.23 N ATOM 727 CA PRO A 45 11.623 -2.814 -10.065 1.00 0.23 C ATOM 728 C PRO A 45 10.539 -3.892 -9.939 1.00 0.34 C ATOM 729 O PRO A 45 10.729 -4.904 -9.267 1.00 0.63 O ATOM 730 CB PRO A 45 13.004 -3.287 -9.604 1.00 0.29 C ATOM 731 CG PRO A 45 13.175 -2.619 -8.252 1.00 0.31 C ATOM 732 CD PRO A 45 12.469 -1.291 -8.437 1.00 0.29 C ATOM 0 HA PRO A 45 11.614 -2.603 -11.134 1.00 0.23 H new ATOM 0 HB2 PRO A 45 13.050 -4.373 -9.524 1.00 0.29 H new ATOM 0 HB3 PRO A 45 13.785 -2.986 -10.302 1.00 0.29 H new ATOM 0 HG2 PRO A 45 12.726 -3.207 -7.452 1.00 0.31 H new ATOM 0 HG3 PRO A 45 14.226 -2.485 -7.998 1.00 0.31 H new ATOM 0 HD2 PRO A 45 12.135 -0.883 -7.483 1.00 0.29 H new ATOM 0 HD3 PRO A 45 13.130 -0.550 -8.887 1.00 0.29 H new ATOM 740 N TYR A 46 9.418 -3.710 -10.636 1.00 0.28 N ATOM 741 CA TYR A 46 8.276 -4.599 -10.509 1.00 0.31 C ATOM 742 C TYR A 46 8.430 -5.859 -11.351 1.00 0.35 C ATOM 743 O TYR A 46 7.716 -6.831 -11.139 1.00 0.70 O ATOM 744 CB TYR A 46 6.973 -3.881 -10.854 1.00 0.34 C ATOM 745 CG TYR A 46 6.720 -3.662 -12.328 1.00 0.40 C ATOM 746 CD1 TYR A 46 5.888 -4.559 -13.024 1.00 1.59 C ATOM 747 CD2 TYR A 46 7.280 -2.557 -12.994 1.00 1.51 C ATOM 748 CE1 TYR A 46 5.623 -4.366 -14.388 1.00 1.78 C ATOM 749 CE2 TYR A 46 7.014 -2.353 -14.358 1.00 1.59 C ATOM 750 CZ TYR A 46 6.185 -3.258 -15.061 1.00 1.00 C ATOM 751 OH TYR A 46 5.905 -3.066 -16.379 1.00 1.34 O ATOM 0 H TYR A 46 9.281 -2.947 -11.298 1.00 0.28 H new ATOM 0 HA TYR A 46 8.235 -4.907 -9.464 1.00 0.31 H new ATOM 0 HB2 TYR A 46 6.143 -4.455 -10.442 1.00 0.34 H new ATOM 0 HB3 TYR A 46 6.970 -2.912 -10.355 1.00 0.34 H new ATOM 0 HD1 TYR A 46 5.452 -5.400 -12.505 1.00 1.59 H new ATOM 0 HD2 TYR A 46 7.914 -1.866 -12.457 1.00 1.51 H new ATOM 0 HE1 TYR A 46 4.992 -5.061 -14.921 1.00 1.78 H new ATOM 0 HE2 TYR A 46 7.443 -1.504 -14.870 1.00 1.59 H new ATOM 0 HH TYR A 46 6.365 -2.261 -16.697 1.00 1.34 H new ATOM 761 N ASP A 47 9.366 -5.906 -12.298 1.00 0.34 N ATOM 762 CA ASP A 47 9.564 -7.115 -13.095 1.00 0.35 C ATOM 763 C ASP A 47 9.815 -8.324 -12.192 1.00 0.38 C ATOM 764 O ASP A 47 9.462 -9.456 -12.534 1.00 0.54 O ATOM 765 CB ASP A 47 10.742 -6.930 -14.055 1.00 0.40 C ATOM 766 CG ASP A 47 10.525 -5.748 -14.985 1.00 1.35 C ATOM 767 OD1 ASP A 47 10.061 -5.985 -16.118 1.00 2.22 O ATOM 768 OD2 ASP A 47 10.849 -4.635 -14.515 1.00 2.68 O ATOM 0 H ASP A 47 9.990 -5.133 -12.530 1.00 0.34 H new ATOM 0 HA ASP A 47 8.657 -7.294 -13.673 1.00 0.35 H new ATOM 0 HB2 ASP A 47 11.658 -6.781 -13.483 1.00 0.40 H new ATOM 0 HB3 ASP A 47 10.878 -7.837 -14.644 1.00 0.40 H new ATOM 773 N LYS A 48 10.460 -8.083 -11.042 1.00 0.32 N ATOM 774 CA LYS A 48 10.889 -9.148 -10.143 1.00 0.34 C ATOM 775 C LYS A 48 9.788 -9.522 -9.148 1.00 0.34 C ATOM 776 O LYS A 48 9.908 -10.560 -8.501 1.00 0.41 O ATOM 777 CB LYS A 48 12.180 -8.744 -9.403 1.00 0.39 C ATOM 778 CG LYS A 48 13.444 -8.787 -10.280 1.00 0.48 C ATOM 779 CD LYS A 48 13.392 -7.792 -11.442 1.00 0.94 C ATOM 780 CE LYS A 48 14.712 -7.738 -12.215 1.00 0.98 C ATOM 781 NZ LYS A 48 14.692 -6.693 -13.261 1.00 2.42 N ATOM 0 H LYS A 48 10.695 -7.146 -10.715 1.00 0.32 H new ATOM 0 HA LYS A 48 11.097 -10.030 -10.749 1.00 0.34 H new ATOM 0 HB2 LYS A 48 12.059 -7.736 -9.007 1.00 0.39 H new ATOM 0 HB3 LYS A 48 12.320 -9.407 -8.549 1.00 0.39 H new ATOM 0 HG2 LYS A 48 14.317 -8.573 -9.663 1.00 0.48 H new ATOM 0 HG3 LYS A 48 13.573 -9.795 -10.675 1.00 0.48 H new ATOM 0 HD2 LYS A 48 12.586 -8.071 -12.121 1.00 0.94 H new ATOM 0 HD3 LYS A 48 13.157 -6.799 -11.058 1.00 0.94 H new ATOM 0 HE2 LYS A 48 15.531 -7.544 -11.523 1.00 0.98 H new ATOM 0 HE3 LYS A 48 14.905 -8.708 -12.673 1.00 0.98 H new ATOM 0 HZ1 LYS A 48 14.740 -7.140 -14.199 1.00 2.42 H new ATOM 0 HZ2 LYS A 48 13.814 -6.142 -13.184 1.00 2.42 H new ATOM 0 HZ3 LYS A 48 15.509 -6.062 -13.137 1.00 2.42 H new ATOM 795 N GLY A 49 8.752 -8.696 -8.973 1.00 0.32 N ATOM 796 CA GLY A 49 7.767 -8.897 -7.920 1.00 0.36 C ATOM 797 C GLY A 49 7.027 -7.596 -7.606 1.00 0.36 C ATOM 798 O GLY A 49 7.126 -6.619 -8.339 1.00 0.42 O ATOM 0 H GLY A 49 8.578 -7.877 -9.555 1.00 0.32 H new ATOM 0 HA2 GLY A 49 7.053 -9.661 -8.227 1.00 0.36 H new ATOM 0 HA3 GLY A 49 8.261 -9.265 -7.021 1.00 0.36 H new ATOM 802 N ALA A 50 6.277 -7.575 -6.509 1.00 0.37 N ATOM 803 CA ALA A 50 5.431 -6.471 -6.087 1.00 0.39 C ATOM 804 C ALA A 50 5.545 -6.360 -4.573 1.00 0.31 C ATOM 805 O ALA A 50 6.459 -6.920 -3.968 1.00 0.29 O ATOM 806 CB ALA A 50 3.985 -6.747 -6.534 1.00 0.52 C ATOM 0 H ALA A 50 6.243 -8.364 -5.863 1.00 0.37 H new ATOM 0 HA ALA A 50 5.739 -5.528 -6.538 1.00 0.39 H new ATOM 0 HB1 ALA A 50 3.344 -5.923 -6.221 1.00 0.52 H new ATOM 0 HB2 ALA A 50 3.951 -6.841 -7.619 1.00 0.52 H new ATOM 0 HB3 ALA A 50 3.634 -7.673 -6.079 1.00 0.52 H new ATOM 812 N PHE A 51 4.601 -5.669 -3.942 1.00 0.34 N ATOM 813 CA PHE A 51 4.601 -5.500 -2.503 1.00 0.29 C ATOM 814 C PHE A 51 3.231 -5.945 -2.006 1.00 0.27 C ATOM 815 O PHE A 51 2.221 -5.401 -2.452 1.00 0.29 O ATOM 816 CB PHE A 51 4.935 -4.035 -2.195 1.00 0.43 C ATOM 817 CG PHE A 51 6.258 -3.592 -2.805 1.00 0.51 C ATOM 818 CD1 PHE A 51 7.459 -4.135 -2.320 1.00 1.42 C ATOM 819 CD2 PHE A 51 6.297 -2.736 -3.921 1.00 2.42 C ATOM 820 CE1 PHE A 51 8.673 -3.919 -2.995 1.00 1.28 C ATOM 821 CE2 PHE A 51 7.520 -2.485 -4.577 1.00 3.00 C ATOM 822 CZ PHE A 51 8.698 -3.116 -4.147 1.00 1.76 C ATOM 0 H PHE A 51 3.820 -5.215 -4.416 1.00 0.34 H new ATOM 0 HA PHE A 51 5.351 -6.102 -1.990 1.00 0.29 H new ATOM 0 HB2 PHE A 51 4.135 -3.398 -2.571 1.00 0.43 H new ATOM 0 HB3 PHE A 51 4.973 -3.895 -1.115 1.00 0.43 H new ATOM 0 HD1 PHE A 51 7.450 -4.726 -1.416 1.00 1.42 H new ATOM 0 HD2 PHE A 51 5.389 -2.271 -4.276 1.00 2.42 H new ATOM 0 HE1 PHE A 51 9.584 -4.369 -2.629 1.00 1.28 H new ATOM 0 HE2 PHE A 51 7.550 -1.804 -5.415 1.00 3.00 H new ATOM 0 HZ PHE A 51 9.617 -2.985 -4.698 1.00 1.76 H new ATOM 832 N ARG A 52 3.165 -6.972 -1.146 1.00 0.27 N ATOM 833 CA ARG A 52 1.870 -7.394 -0.617 1.00 0.27 C ATOM 834 C ARG A 52 1.584 -6.564 0.611 1.00 0.22 C ATOM 835 O ARG A 52 2.462 -6.405 1.462 1.00 0.24 O ATOM 836 CB ARG A 52 1.792 -8.892 -0.286 1.00 0.38 C ATOM 837 CG ARG A 52 0.318 -9.274 -0.092 1.00 0.63 C ATOM 838 CD ARG A 52 0.040 -10.779 -0.013 1.00 0.89 C ATOM 839 NE ARG A 52 -0.088 -11.266 1.369 1.00 1.10 N ATOM 840 CZ ARG A 52 0.841 -11.925 2.076 1.00 2.46 C ATOM 841 NH1 ARG A 52 0.525 -12.386 3.290 1.00 3.58 N ATOM 842 NH2 ARG A 52 2.066 -12.122 1.593 1.00 3.11 N ATOM 0 H ARG A 52 3.967 -7.507 -0.814 1.00 0.27 H new ATOM 0 HA ARG A 52 1.120 -7.235 -1.392 1.00 0.27 H new ATOM 0 HB2 ARG A 52 2.233 -9.481 -1.091 1.00 0.38 H new ATOM 0 HB3 ARG A 52 2.361 -9.110 0.617 1.00 0.38 H new ATOM 0 HG2 ARG A 52 -0.045 -8.805 0.822 1.00 0.63 H new ATOM 0 HG3 ARG A 52 -0.261 -8.856 -0.916 1.00 0.63 H new ATOM 0 HD2 ARG A 52 -0.877 -11.003 -0.558 1.00 0.89 H new ATOM 0 HD3 ARG A 52 0.846 -11.319 -0.510 1.00 0.89 H new ATOM 0 HE ARG A 52 -0.975 -11.083 1.838 1.00 1.10 H new ATOM 0 HH11 ARG A 52 -0.411 -12.234 3.665 1.00 3.58 H new ATOM 0 HH12 ARG A 52 1.220 -12.890 3.841 1.00 3.58 H new ATOM 0 HH21 ARG A 52 2.313 -11.769 0.668 1.00 3.11 H new ATOM 0 HH22 ARG A 52 2.758 -12.626 2.148 1.00 3.11 H new ATOM 856 N ILE A 53 0.359 -6.063 0.718 1.00 0.22 N ATOM 857 CA ILE A 53 -0.064 -5.220 1.806 1.00 0.21 C ATOM 858 C ILE A 53 -1.409 -5.713 2.318 1.00 0.21 C ATOM 859 O ILE A 53 -2.185 -6.350 1.605 1.00 0.31 O ATOM 860 CB ILE A 53 -0.064 -3.744 1.367 1.00 0.22 C ATOM 861 CG1 ILE A 53 -1.134 -3.373 0.328 1.00 0.24 C ATOM 862 CG2 ILE A 53 1.307 -3.408 0.769 1.00 0.20 C ATOM 863 CD1 ILE A 53 -1.371 -1.861 0.334 1.00 0.25 C ATOM 0 H ILE A 53 -0.375 -6.241 0.032 1.00 0.22 H new ATOM 0 HA ILE A 53 0.635 -5.278 2.640 1.00 0.21 H new ATOM 0 HB ILE A 53 -0.292 -3.171 2.266 1.00 0.22 H new ATOM 0 HG12 ILE A 53 -0.816 -3.695 -0.664 1.00 0.24 H new ATOM 0 HG13 ILE A 53 -2.064 -3.896 0.550 1.00 0.24 H new ATOM 0 HG21 ILE A 53 1.321 -2.365 0.454 1.00 0.20 H new ATOM 0 HG22 ILE A 53 2.081 -3.571 1.519 1.00 0.20 H new ATOM 0 HG23 ILE A 53 1.496 -4.050 -0.092 1.00 0.20 H new ATOM 0 HD11 ILE A 53 -2.131 -1.609 -0.406 1.00 0.25 H new ATOM 0 HD12 ILE A 53 -1.709 -1.550 1.322 1.00 0.25 H new ATOM 0 HD13 ILE A 53 -0.442 -1.346 0.090 1.00 0.25 H new ATOM 875 N GLU A 54 -1.672 -5.424 3.583 1.00 0.19 N ATOM 876 CA GLU A 54 -2.904 -5.788 4.247 1.00 0.18 C ATOM 877 C GLU A 54 -3.446 -4.486 4.814 1.00 0.18 C ATOM 878 O GLU A 54 -2.675 -3.717 5.391 1.00 0.24 O ATOM 879 CB GLU A 54 -2.559 -6.811 5.328 1.00 0.25 C ATOM 880 CG GLU A 54 -3.774 -7.324 6.103 1.00 0.35 C ATOM 881 CD GLU A 54 -3.282 -8.031 7.362 1.00 0.74 C ATOM 882 OE1 GLU A 54 -2.426 -8.935 7.215 1.00 0.88 O ATOM 883 OE2 GLU A 54 -3.650 -7.582 8.468 1.00 1.80 O ATOM 0 H GLU A 54 -1.020 -4.920 4.184 1.00 0.19 H new ATOM 0 HA GLU A 54 -3.654 -6.244 3.601 1.00 0.18 H new ATOM 0 HB2 GLU A 54 -2.051 -7.657 4.865 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -1.856 -6.362 6.029 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -4.432 -6.496 6.366 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -4.355 -8.010 5.486 1.00 0.35 H new ATOM 890 N ILE A 55 -4.734 -4.210 4.606 1.00 0.18 N ATOM 891 CA ILE A 55 -5.343 -2.953 5.001 1.00 0.18 C ATOM 892 C ILE A 55 -6.455 -3.291 5.983 1.00 0.22 C ATOM 893 O ILE A 55 -7.450 -3.915 5.619 1.00 0.42 O ATOM 894 CB ILE A 55 -5.904 -2.172 3.795 1.00 0.21 C ATOM 895 CG1 ILE A 55 -5.030 -2.237 2.522 1.00 0.20 C ATOM 896 CG2 ILE A 55 -6.078 -0.708 4.213 1.00 0.37 C ATOM 897 CD1 ILE A 55 -5.550 -3.258 1.509 1.00 0.63 C ATOM 0 H ILE A 55 -5.381 -4.858 4.157 1.00 0.18 H new ATOM 0 HA ILE A 55 -4.592 -2.306 5.455 1.00 0.18 H new ATOM 0 HB ILE A 55 -6.849 -2.644 3.527 1.00 0.21 H new ATOM 0 HG12 ILE A 55 -4.997 -1.252 2.057 1.00 0.20 H new ATOM 0 HG13 ILE A 55 -4.007 -2.493 2.799 1.00 0.20 H new ATOM 0 HG21 ILE A 55 -6.474 -0.135 3.375 1.00 0.37 H new ATOM 0 HG22 ILE A 55 -6.771 -0.649 5.053 1.00 0.37 H new ATOM 0 HG23 ILE A 55 -5.113 -0.297 4.509 1.00 0.37 H new ATOM 0 HD11 ILE A 55 -4.901 -3.265 0.633 1.00 0.63 H new ATOM 0 HD12 ILE A 55 -5.558 -4.249 1.963 1.00 0.63 H new ATOM 0 HD13 ILE A 55 -6.563 -2.989 1.208 1.00 0.63 H new ATOM 909 N ASN A 56 -6.290 -2.913 7.243 1.00 0.30 N ATOM 910 CA ASN A 56 -7.261 -3.234 8.266 1.00 0.28 C ATOM 911 C ASN A 56 -8.301 -2.118 8.275 1.00 0.27 C ATOM 912 O ASN A 56 -8.026 -1.031 8.786 1.00 0.29 O ATOM 913 CB ASN A 56 -6.553 -3.359 9.624 1.00 0.35 C ATOM 914 CG ASN A 56 -5.290 -4.209 9.541 1.00 0.44 C ATOM 915 OD1 ASN A 56 -4.188 -3.684 9.652 1.00 1.29 O ATOM 916 ND2 ASN A 56 -5.434 -5.506 9.310 1.00 0.92 N ATOM 0 H ASN A 56 -5.486 -2.381 7.577 1.00 0.30 H new ATOM 0 HA ASN A 56 -7.753 -4.186 8.067 1.00 0.28 H new ATOM 0 HB2 ASN A 56 -6.296 -2.365 9.990 1.00 0.35 H new ATOM 0 HB3 ASN A 56 -7.238 -3.799 10.349 1.00 0.35 H new ATOM 0 HD21 ASN A 56 -4.611 -6.102 9.219 1.00 0.92 H new ATOM 0 HD22 ASN A 56 -6.367 -5.908 9.224 1.00 0.92 H new ATOM 923 N PHE A 57 -9.482 -2.382 7.711 1.00 0.32 N ATOM 924 CA PHE A 57 -10.589 -1.430 7.657 1.00 0.31 C ATOM 925 C PHE A 57 -11.695 -1.922 8.597 1.00 0.31 C ATOM 926 O PHE A 57 -12.583 -2.651 8.169 1.00 0.39 O ATOM 927 CB PHE A 57 -11.090 -1.287 6.205 1.00 0.34 C ATOM 928 CG PHE A 57 -10.724 0.001 5.496 1.00 0.54 C ATOM 929 CD1 PHE A 57 -9.462 0.146 4.896 1.00 1.99 C ATOM 930 CD2 PHE A 57 -11.676 1.029 5.362 1.00 1.77 C ATOM 931 CE1 PHE A 57 -9.165 1.303 4.152 1.00 2.18 C ATOM 932 CE2 PHE A 57 -11.389 2.175 4.600 1.00 1.90 C ATOM 933 CZ PHE A 57 -10.135 2.309 3.985 1.00 1.26 C ATOM 0 H PHE A 57 -9.697 -3.278 7.273 1.00 0.32 H new ATOM 0 HA PHE A 57 -10.265 -0.442 7.984 1.00 0.31 H new ATOM 0 HB2 PHE A 57 -10.698 -2.122 5.623 1.00 0.34 H new ATOM 0 HB3 PHE A 57 -12.176 -1.381 6.206 1.00 0.34 H new ATOM 0 HD1 PHE A 57 -8.720 -0.631 5.006 1.00 1.99 H new ATOM 0 HD2 PHE A 57 -12.636 0.937 5.849 1.00 1.77 H new ATOM 0 HE1 PHE A 57 -8.188 1.420 3.707 1.00 2.18 H new ATOM 0 HE2 PHE A 57 -12.132 2.951 4.488 1.00 1.90 H new ATOM 0 HZ PHE A 57 -9.915 3.180 3.386 1.00 1.26 H new ATOM 943 N PRO A 58 -11.664 -1.569 9.889 1.00 0.31 N ATOM 944 CA PRO A 58 -12.624 -2.093 10.848 1.00 0.36 C ATOM 945 C PRO A 58 -14.025 -1.530 10.597 1.00 0.35 C ATOM 946 O PRO A 58 -14.222 -0.630 9.782 1.00 0.35 O ATOM 947 CB PRO A 58 -12.075 -1.687 12.221 1.00 0.39 C ATOM 948 CG PRO A 58 -11.283 -0.416 11.921 1.00 0.37 C ATOM 949 CD PRO A 58 -10.699 -0.701 10.538 1.00 0.31 C ATOM 0 HA PRO A 58 -12.736 -3.174 10.769 1.00 0.36 H new ATOM 0 HB2 PRO A 58 -12.877 -1.502 12.936 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -11.441 -2.465 12.647 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -11.922 0.467 11.916 1.00 0.37 H new ATOM 0 HG3 PRO A 58 -10.503 -0.241 12.662 1.00 0.37 H new ATOM 0 HD2 PRO A 58 -10.556 0.220 9.973 1.00 0.31 H new ATOM 0 HD3 PRO A 58 -9.724 -1.183 10.614 1.00 0.31 H new ATOM 957 N ALA A 59 -15.016 -2.028 11.346 1.00 0.37 N ATOM 958 CA ALA A 59 -16.367 -1.483 11.307 1.00 0.36 C ATOM 959 C ALA A 59 -16.342 0.011 11.606 1.00 0.34 C ATOM 960 O ALA A 59 -17.114 0.779 11.040 1.00 0.36 O ATOM 961 CB ALA A 59 -17.264 -2.201 12.310 1.00 0.38 C ATOM 0 H ALA A 59 -14.901 -2.812 11.988 1.00 0.37 H new ATOM 0 HA ALA A 59 -16.771 -1.637 10.306 1.00 0.36 H new ATOM 0 HB1 ALA A 59 -18.269 -1.780 12.266 1.00 0.38 H new ATOM 0 HB2 ALA A 59 -17.304 -3.263 12.067 1.00 0.38 H new ATOM 0 HB3 ALA A 59 -16.861 -2.074 13.315 1.00 0.38 H new ATOM 967 N GLU A 60 -15.421 0.409 12.478 1.00 0.32 N ATOM 968 CA GLU A 60 -15.183 1.779 12.876 1.00 0.29 C ATOM 969 C GLU A 60 -14.440 2.581 11.802 1.00 0.24 C ATOM 970 O GLU A 60 -13.868 3.613 12.122 1.00 0.24 O ATOM 971 CB GLU A 60 -14.360 1.758 14.168 1.00 0.35 C ATOM 972 CG GLU A 60 -15.072 0.991 15.282 1.00 0.50 C ATOM 973 CD GLU A 60 -14.289 1.144 16.586 1.00 0.64 C ATOM 974 OE1 GLU A 60 -14.863 1.715 17.537 1.00 2.06 O ATOM 975 OE2 GLU A 60 -13.114 0.710 16.592 1.00 1.62 O ATOM 0 H GLU A 60 -14.796 -0.249 12.943 1.00 0.32 H new ATOM 0 HA GLU A 60 -16.145 2.270 13.025 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -13.390 1.300 13.974 1.00 0.35 H new ATOM 0 HB3 GLU A 60 -14.170 2.780 14.495 1.00 0.35 H new ATOM 0 HG2 GLU A 60 -16.086 1.369 15.408 1.00 0.50 H new ATOM 0 HG3 GLU A 60 -15.155 -0.063 15.017 1.00 0.50 H new ATOM 982 N TYR A 61 -14.462 2.179 10.528 1.00 0.24 N ATOM 983 CA TYR A 61 -13.876 2.974 9.445 1.00 0.27 C ATOM 984 C TYR A 61 -14.348 4.439 9.465 1.00 0.29 C ATOM 985 O TYR A 61 -13.521 5.348 9.398 1.00 0.27 O ATOM 986 CB TYR A 61 -14.094 2.273 8.089 1.00 0.40 C ATOM 987 CG TYR A 61 -14.604 3.132 6.939 1.00 0.45 C ATOM 988 CD1 TYR A 61 -13.821 4.182 6.425 1.00 1.98 C ATOM 989 CD2 TYR A 61 -15.879 2.892 6.392 1.00 1.90 C ATOM 990 CE1 TYR A 61 -14.315 4.993 5.386 1.00 2.00 C ATOM 991 CE2 TYR A 61 -16.377 3.689 5.350 1.00 1.94 C ATOM 992 CZ TYR A 61 -15.598 4.747 4.836 1.00 0.62 C ATOM 993 OH TYR A 61 -16.098 5.507 3.818 1.00 0.75 O ATOM 0 H TYR A 61 -14.882 1.302 10.220 1.00 0.24 H new ATOM 0 HA TYR A 61 -12.800 3.031 9.607 1.00 0.27 H new ATOM 0 HB2 TYR A 61 -13.148 1.825 7.784 1.00 0.40 H new ATOM 0 HB3 TYR A 61 -14.799 1.456 8.240 1.00 0.40 H new ATOM 0 HD1 TYR A 61 -12.837 4.366 6.829 1.00 1.98 H new ATOM 0 HD2 TYR A 61 -16.482 2.084 6.780 1.00 1.90 H new ATOM 0 HE1 TYR A 61 -13.714 5.806 5.006 1.00 2.00 H new ATOM 0 HE2 TYR A 61 -17.357 3.492 4.941 1.00 1.94 H new ATOM 0 HH TYR A 61 -15.358 5.903 3.312 1.00 0.75 H new ATOM 1003 N PRO A 62 -15.653 4.730 9.557 1.00 0.35 N ATOM 1004 CA PRO A 62 -16.101 6.110 9.556 1.00 0.40 C ATOM 1005 C PRO A 62 -15.880 6.783 10.919 1.00 0.41 C ATOM 1006 O PRO A 62 -16.150 7.971 11.055 1.00 0.50 O ATOM 1007 CB PRO A 62 -17.575 6.040 9.156 1.00 0.53 C ATOM 1008 CG PRO A 62 -18.035 4.680 9.681 1.00 0.54 C ATOM 1009 CD PRO A 62 -16.776 3.813 9.664 1.00 0.38 C ATOM 0 HA PRO A 62 -15.534 6.730 8.861 1.00 0.40 H new ATOM 0 HB2 PRO A 62 -18.148 6.854 9.600 1.00 0.53 H new ATOM 0 HB3 PRO A 62 -17.700 6.114 8.076 1.00 0.53 H new ATOM 0 HG2 PRO A 62 -18.446 4.762 10.687 1.00 0.54 H new ATOM 0 HG3 PRO A 62 -18.817 4.256 9.051 1.00 0.54 H new ATOM 0 HD2 PRO A 62 -16.704 3.214 10.572 1.00 0.38 H new ATOM 0 HD3 PRO A 62 -16.793 3.119 8.824 1.00 0.38 H new ATOM 1017 N PHE A 63 -15.402 6.049 11.928 1.00 0.36 N ATOM 1018 CA PHE A 63 -15.047 6.562 13.247 1.00 0.39 C ATOM 1019 C PHE A 63 -13.548 6.848 13.379 1.00 0.36 C ATOM 1020 O PHE A 63 -13.168 7.716 14.160 1.00 0.45 O ATOM 1021 CB PHE A 63 -15.490 5.562 14.326 1.00 0.41 C ATOM 1022 CG PHE A 63 -16.905 5.754 14.831 1.00 0.72 C ATOM 1023 CD1 PHE A 63 -17.130 6.047 16.189 1.00 1.44 C ATOM 1024 CD2 PHE A 63 -17.998 5.623 13.955 1.00 2.32 C ATOM 1025 CE1 PHE A 63 -18.441 6.214 16.667 1.00 1.50 C ATOM 1026 CE2 PHE A 63 -19.310 5.793 14.433 1.00 2.62 C ATOM 1027 CZ PHE A 63 -19.531 6.089 15.789 1.00 1.47 C ATOM 0 H PHE A 63 -15.247 5.045 11.842 1.00 0.36 H new ATOM 0 HA PHE A 63 -15.567 7.511 13.381 1.00 0.39 H new ATOM 0 HB2 PHE A 63 -15.397 4.553 13.926 1.00 0.41 H new ATOM 0 HB3 PHE A 63 -14.805 5.634 15.171 1.00 0.41 H new ATOM 0 HD1 PHE A 63 -16.293 6.144 16.865 1.00 1.44 H new ATOM 0 HD2 PHE A 63 -17.829 5.391 12.914 1.00 2.32 H new ATOM 0 HE1 PHE A 63 -18.611 6.439 17.710 1.00 1.50 H new ATOM 0 HE2 PHE A 63 -20.147 5.696 13.758 1.00 2.62 H new ATOM 0 HZ PHE A 63 -20.538 6.220 16.156 1.00 1.47 H new ATOM 1037 N LYS A 64 -12.678 6.111 12.685 1.00 0.28 N ATOM 1038 CA LYS A 64 -11.233 6.238 12.843 1.00 0.27 C ATOM 1039 C LYS A 64 -10.549 5.734 11.581 1.00 0.23 C ATOM 1040 O LYS A 64 -11.102 4.885 10.886 1.00 0.24 O ATOM 1041 CB LYS A 64 -10.760 5.427 14.062 1.00 0.32 C ATOM 1042 CG LYS A 64 -11.213 3.959 14.040 1.00 1.34 C ATOM 1043 CD LYS A 64 -10.459 3.155 15.101 1.00 1.54 C ATOM 1044 CE LYS A 64 -9.052 2.821 14.589 1.00 2.70 C ATOM 1045 NZ LYS A 64 -8.127 2.521 15.701 1.00 3.22 N ATOM 0 H LYS A 64 -12.958 5.410 11.999 1.00 0.28 H new ATOM 0 HA LYS A 64 -10.975 7.285 13.004 1.00 0.27 H new ATOM 0 HB2 LYS A 64 -9.672 5.462 14.110 1.00 0.32 H new ATOM 0 HB3 LYS A 64 -11.135 5.900 14.970 1.00 0.32 H new ATOM 0 HG2 LYS A 64 -12.286 3.900 14.223 1.00 1.34 H new ATOM 0 HG3 LYS A 64 -11.034 3.531 13.054 1.00 1.34 H new ATOM 0 HD2 LYS A 64 -10.394 3.726 16.027 1.00 1.54 H new ATOM 0 HD3 LYS A 64 -11.001 2.238 15.330 1.00 1.54 H new ATOM 0 HE2 LYS A 64 -9.103 1.965 13.916 1.00 2.70 H new ATOM 0 HE3 LYS A 64 -8.666 3.660 14.010 1.00 2.70 H new ATOM 0 HZ1 LYS A 64 -7.185 2.300 15.319 1.00 3.22 H new ATOM 0 HZ2 LYS A 64 -8.060 3.347 16.330 1.00 3.22 H new ATOM 0 HZ3 LYS A 64 -8.483 1.705 16.238 1.00 3.22 H new ATOM 1059 N PRO A 65 -9.341 6.213 11.266 1.00 0.23 N ATOM 1060 CA PRO A 65 -8.662 5.755 10.078 1.00 0.25 C ATOM 1061 C PRO A 65 -8.230 4.292 10.248 1.00 0.25 C ATOM 1062 O PRO A 65 -7.978 3.832 11.365 1.00 0.28 O ATOM 1063 CB PRO A 65 -7.475 6.699 9.891 1.00 0.30 C ATOM 1064 CG PRO A 65 -7.167 7.161 11.316 1.00 0.31 C ATOM 1065 CD PRO A 65 -8.542 7.185 11.990 1.00 0.26 C ATOM 0 HA PRO A 65 -9.301 5.775 9.195 1.00 0.25 H new ATOM 0 HB2 PRO A 65 -6.623 6.190 9.440 1.00 0.30 H new ATOM 0 HB3 PRO A 65 -7.726 7.538 9.241 1.00 0.30 H new ATOM 0 HG2 PRO A 65 -6.485 6.477 11.821 1.00 0.31 H new ATOM 0 HG3 PRO A 65 -6.698 8.145 11.326 1.00 0.31 H new ATOM 0 HD2 PRO A 65 -8.467 6.924 13.046 1.00 0.26 H new ATOM 0 HD3 PRO A 65 -8.988 8.178 11.938 1.00 0.26 H new ATOM 1073 N PRO A 66 -8.141 3.568 9.127 1.00 0.25 N ATOM 1074 CA PRO A 66 -7.571 2.239 9.041 1.00 0.25 C ATOM 1075 C PRO A 66 -6.065 2.293 9.186 1.00 0.25 C ATOM 1076 O PRO A 66 -5.441 3.345 9.314 1.00 0.34 O ATOM 1077 CB PRO A 66 -7.972 1.705 7.670 1.00 0.30 C ATOM 1078 CG PRO A 66 -8.171 2.957 6.827 1.00 0.34 C ATOM 1079 CD PRO A 66 -8.478 4.074 7.814 1.00 0.30 C ATOM 0 HA PRO A 66 -7.934 1.592 9.839 1.00 0.25 H new ATOM 0 HB2 PRO A 66 -7.198 1.061 7.251 1.00 0.30 H new ATOM 0 HB3 PRO A 66 -8.885 1.112 7.725 1.00 0.30 H new ATOM 0 HG2 PRO A 66 -7.277 3.183 6.245 1.00 0.34 H new ATOM 0 HG3 PRO A 66 -8.988 2.826 6.118 1.00 0.34 H new ATOM 0 HD2 PRO A 66 -7.897 4.967 7.582 1.00 0.30 H new ATOM 0 HD3 PRO A 66 -9.530 4.356 7.765 1.00 0.30 H new ATOM 1087 N LYS A 67 -5.490 1.103 9.144 1.00 0.25 N ATOM 1088 CA LYS A 67 -4.078 0.867 9.301 1.00 0.22 C ATOM 1089 C LYS A 67 -3.673 0.023 8.106 1.00 0.22 C ATOM 1090 O LYS A 67 -4.503 -0.698 7.558 1.00 0.34 O ATOM 1091 CB LYS A 67 -3.916 0.147 10.643 1.00 0.38 C ATOM 1092 CG LYS A 67 -2.506 -0.350 10.933 1.00 1.87 C ATOM 1093 CD LYS A 67 -1.481 0.787 11.074 1.00 1.06 C ATOM 1094 CE LYS A 67 -0.121 0.284 11.579 1.00 2.10 C ATOM 1095 NZ LYS A 67 -0.134 -0.047 13.022 1.00 2.42 N ATOM 0 H LYS A 67 -6.021 0.246 8.993 1.00 0.25 H new ATOM 0 HA LYS A 67 -3.450 1.758 9.322 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -4.219 0.824 11.442 1.00 0.38 H new ATOM 0 HB3 LYS A 67 -4.598 -0.703 10.669 1.00 0.38 H new ATOM 0 HG2 LYS A 67 -2.516 -0.937 11.851 1.00 1.87 H new ATOM 0 HG3 LYS A 67 -2.191 -1.018 10.131 1.00 1.87 H new ATOM 0 HD2 LYS A 67 -1.350 1.277 10.109 1.00 1.06 H new ATOM 0 HD3 LYS A 67 -1.867 1.538 11.763 1.00 1.06 H new ATOM 0 HE2 LYS A 67 0.169 -0.600 11.010 1.00 2.10 H new ATOM 0 HE3 LYS A 67 0.636 1.046 11.392 1.00 2.10 H new ATOM 0 HZ1 LYS A 67 0.841 -0.067 13.382 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 -0.679 0.673 13.538 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 -0.574 -0.979 13.160 1.00 2.42 H new ATOM 1109 N ILE A 68 -2.416 0.107 7.689 1.00 0.18 N ATOM 1110 CA ILE A 68 -1.894 -0.758 6.647 1.00 0.17 C ATOM 1111 C ILE A 68 -0.597 -1.339 7.177 1.00 0.15 C ATOM 1112 O ILE A 68 0.084 -0.704 7.990 1.00 0.21 O ATOM 1113 CB ILE A 68 -1.666 0.011 5.333 1.00 0.17 C ATOM 1114 CG1 ILE A 68 -2.658 1.178 5.190 1.00 0.21 C ATOM 1115 CG2 ILE A 68 -1.768 -0.932 4.131 1.00 0.18 C ATOM 1116 CD1 ILE A 68 -2.427 1.932 3.895 1.00 0.21 C ATOM 0 H ILE A 68 -1.738 0.771 8.062 1.00 0.18 H new ATOM 0 HA ILE A 68 -2.607 -1.548 6.410 1.00 0.17 H new ATOM 0 HB ILE A 68 -0.660 0.429 5.362 1.00 0.17 H new ATOM 0 HG12 ILE A 68 -3.679 0.797 5.216 1.00 0.21 H new ATOM 0 HG13 ILE A 68 -2.550 1.858 6.035 1.00 0.21 H new ATOM 0 HG21 ILE A 68 -1.604 -0.369 3.212 1.00 0.18 H new ATOM 0 HG22 ILE A 68 -1.014 -1.714 4.217 1.00 0.18 H new ATOM 0 HG23 ILE A 68 -2.759 -1.385 4.107 1.00 0.18 H new ATOM 0 HD11 ILE A 68 -3.141 2.752 3.819 1.00 0.21 H new ATOM 0 HD12 ILE A 68 -1.413 2.332 3.883 1.00 0.21 H new ATOM 0 HD13 ILE A 68 -2.560 1.255 3.051 1.00 0.21 H new ATOM 1128 N THR A 69 -0.242 -2.542 6.738 1.00 0.16 N ATOM 1129 CA THR A 69 1.079 -3.073 7.006 1.00 0.20 C ATOM 1130 C THR A 69 1.501 -3.934 5.819 1.00 0.20 C ATOM 1131 O THR A 69 0.770 -4.840 5.412 1.00 0.22 O ATOM 1132 CB THR A 69 1.076 -3.884 8.312 1.00 0.25 C ATOM 1133 OG1 THR A 69 0.281 -3.270 9.302 1.00 0.29 O ATOM 1134 CG2 THR A 69 2.487 -4.000 8.881 1.00 0.30 C ATOM 0 H THR A 69 -0.849 -3.160 6.199 1.00 0.16 H new ATOM 0 HA THR A 69 1.794 -2.260 7.133 1.00 0.20 H new ATOM 0 HB THR A 69 0.674 -4.866 8.062 1.00 0.25 H new ATOM 0 HG1 THR A 69 0.299 -3.811 10.119 1.00 0.29 H new ATOM 0 HG21 THR A 69 2.460 -4.578 9.805 1.00 0.30 H new ATOM 0 HG22 THR A 69 3.131 -4.501 8.158 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.879 -3.004 9.087 1.00 0.30 H new ATOM 1142 N PHE A 70 2.669 -3.650 5.246 1.00 0.20 N ATOM 1143 CA PHE A 70 3.228 -4.467 4.191 1.00 0.19 C ATOM 1144 C PHE A 70 3.649 -5.790 4.812 1.00 0.20 C ATOM 1145 O PHE A 70 4.340 -5.823 5.826 1.00 0.34 O ATOM 1146 CB PHE A 70 4.407 -3.777 3.483 1.00 0.20 C ATOM 1147 CG PHE A 70 4.033 -2.612 2.580 1.00 0.19 C ATOM 1148 CD1 PHE A 70 3.207 -1.555 3.016 1.00 0.20 C ATOM 1149 CD2 PHE A 70 4.522 -2.594 1.261 1.00 0.21 C ATOM 1150 CE1 PHE A 70 2.896 -0.496 2.148 1.00 0.19 C ATOM 1151 CE2 PHE A 70 4.244 -1.517 0.402 1.00 0.22 C ATOM 1152 CZ PHE A 70 3.440 -0.459 0.855 1.00 0.19 C ATOM 0 H PHE A 70 3.246 -2.849 5.504 1.00 0.20 H new ATOM 0 HA PHE A 70 2.478 -4.631 3.417 1.00 0.19 H new ATOM 0 HB2 PHE A 70 5.104 -3.419 4.240 1.00 0.20 H new ATOM 0 HB3 PHE A 70 4.937 -4.521 2.888 1.00 0.20 H new ATOM 0 HD1 PHE A 70 2.812 -1.560 4.021 1.00 0.20 H new ATOM 0 HD2 PHE A 70 5.120 -3.420 0.903 1.00 0.21 H new ATOM 0 HE1 PHE A 70 2.236 0.293 2.477 1.00 0.19 H new ATOM 0 HE2 PHE A 70 4.646 -1.503 -0.600 1.00 0.22 H new ATOM 0 HZ PHE A 70 3.240 0.383 0.209 1.00 0.19 H new ATOM 1162 N LYS A 71 3.194 -6.892 4.222 1.00 0.25 N ATOM 1163 CA LYS A 71 3.607 -8.228 4.609 1.00 0.29 C ATOM 1164 C LYS A 71 5.026 -8.468 4.100 1.00 0.30 C ATOM 1165 O LYS A 71 5.837 -9.102 4.772 1.00 0.34 O ATOM 1166 CB LYS A 71 2.637 -9.254 4.012 1.00 0.34 C ATOM 1167 CG LYS A 71 1.161 -8.986 4.352 1.00 0.46 C ATOM 1168 CD LYS A 71 0.823 -9.124 5.843 1.00 0.67 C ATOM 1169 CE LYS A 71 0.786 -7.764 6.550 1.00 0.97 C ATOM 1170 NZ LYS A 71 0.133 -7.866 7.874 1.00 1.40 N ATOM 0 H LYS A 71 2.522 -6.877 3.455 1.00 0.25 H new ATOM 0 HA LYS A 71 3.594 -8.331 5.694 1.00 0.29 H new ATOM 0 HB2 LYS A 71 2.754 -9.263 2.928 1.00 0.34 H new ATOM 0 HB3 LYS A 71 2.908 -10.247 4.370 1.00 0.34 H new ATOM 0 HG2 LYS A 71 0.901 -7.980 4.024 1.00 0.46 H new ATOM 0 HG3 LYS A 71 0.538 -9.677 3.784 1.00 0.46 H new ATOM 0 HD2 LYS A 71 -0.144 -9.616 5.952 1.00 0.67 H new ATOM 0 HD3 LYS A 71 1.562 -9.764 6.325 1.00 0.67 H new ATOM 0 HE2 LYS A 71 1.801 -7.386 6.671 1.00 0.97 H new ATOM 0 HE3 LYS A 71 0.250 -7.044 5.932 1.00 0.97 H new ATOM 0 HZ1 LYS A 71 -0.015 -6.913 8.262 1.00 1.40 H new ATOM 0 HZ2 LYS A 71 -0.785 -8.345 7.773 1.00 1.40 H new ATOM 0 HZ3 LYS A 71 0.739 -8.412 8.519 1.00 1.40 H new ATOM 1184 N THR A 72 5.320 -7.998 2.890 1.00 0.28 N ATOM 1185 CA THR A 72 6.634 -8.156 2.300 1.00 0.29 C ATOM 1186 C THR A 72 7.538 -7.038 2.814 1.00 0.35 C ATOM 1187 O THR A 72 7.065 -5.923 3.017 1.00 0.48 O ATOM 1188 CB THR A 72 6.483 -8.128 0.775 1.00 0.28 C ATOM 1189 OG1 THR A 72 5.866 -6.928 0.348 1.00 0.31 O ATOM 1190 CG2 THR A 72 5.583 -9.284 0.338 1.00 0.35 C ATOM 0 H THR A 72 4.654 -7.501 2.299 1.00 0.28 H new ATOM 0 HA THR A 72 7.091 -9.106 2.578 1.00 0.29 H new ATOM 0 HB THR A 72 7.478 -8.207 0.337 1.00 0.28 H new ATOM 0 HG1 THR A 72 6.523 -6.371 -0.120 1.00 0.31 H new ATOM 0 HG21 THR A 72 5.472 -9.269 -0.746 1.00 0.35 H new ATOM 0 HG22 THR A 72 6.031 -10.229 0.644 1.00 0.35 H new ATOM 0 HG23 THR A 72 4.603 -9.179 0.804 1.00 0.35 H new ATOM 1198 N LYS A 73 8.834 -7.310 2.990 1.00 0.37 N ATOM 1199 CA LYS A 73 9.819 -6.299 3.369 1.00 0.34 C ATOM 1200 C LYS A 73 9.801 -5.158 2.350 1.00 0.37 C ATOM 1201 O LYS A 73 9.487 -5.374 1.178 1.00 0.69 O ATOM 1202 CB LYS A 73 11.214 -6.942 3.440 1.00 0.47 C ATOM 1203 CG LYS A 73 11.595 -7.494 4.820 1.00 0.82 C ATOM 1204 CD LYS A 73 10.478 -8.305 5.480 1.00 0.92 C ATOM 1205 CE LYS A 73 11.075 -9.276 6.500 1.00 1.27 C ATOM 1206 NZ LYS A 73 10.016 -9.986 7.248 1.00 2.24 N ATOM 0 H LYS A 73 9.229 -8.243 2.872 1.00 0.37 H new ATOM 0 HA LYS A 73 9.572 -5.893 4.350 1.00 0.34 H new ATOM 0 HB2 LYS A 73 11.263 -7.753 2.713 1.00 0.47 H new ATOM 0 HB3 LYS A 73 11.956 -6.201 3.142 1.00 0.47 H new ATOM 0 HG2 LYS A 73 12.480 -8.123 4.720 1.00 0.82 H new ATOM 0 HG3 LYS A 73 11.866 -6.664 5.473 1.00 0.82 H new ATOM 0 HD2 LYS A 73 9.772 -7.636 5.972 1.00 0.92 H new ATOM 0 HD3 LYS A 73 9.920 -8.856 4.723 1.00 0.92 H new ATOM 0 HE2 LYS A 73 11.710 -10.000 5.988 1.00 1.27 H new ATOM 0 HE3 LYS A 73 11.711 -8.730 7.196 1.00 1.27 H new ATOM 0 HZ1 LYS A 73 10.451 -10.637 7.932 1.00 2.24 H new ATOM 0 HZ2 LYS A 73 9.426 -9.295 7.755 1.00 2.24 H new ATOM 0 HZ3 LYS A 73 9.424 -10.526 6.584 1.00 2.24 H new ATOM 1220 N ILE A 74 10.156 -3.947 2.789 1.00 0.23 N ATOM 1221 CA ILE A 74 10.099 -2.752 1.965 1.00 0.29 C ATOM 1222 C ILE A 74 11.393 -1.962 2.081 1.00 0.23 C ATOM 1223 O ILE A 74 12.077 -2.048 3.095 1.00 0.34 O ATOM 1224 CB ILE A 74 8.890 -1.887 2.347 1.00 0.42 C ATOM 1225 CG1 ILE A 74 8.880 -1.378 3.800 1.00 0.45 C ATOM 1226 CG2 ILE A 74 7.610 -2.677 2.106 1.00 0.61 C ATOM 1227 CD1 ILE A 74 9.650 -0.067 3.973 1.00 0.45 C ATOM 0 H ILE A 74 10.493 -3.775 3.736 1.00 0.23 H new ATOM 0 HA ILE A 74 9.979 -3.056 0.925 1.00 0.29 H new ATOM 0 HB ILE A 74 8.960 -1.002 1.715 1.00 0.42 H new ATOM 0 HG12 ILE A 74 7.849 -1.234 4.123 1.00 0.45 H new ATOM 0 HG13 ILE A 74 9.314 -2.138 4.450 1.00 0.45 H new ATOM 0 HG21 ILE A 74 6.749 -2.066 2.376 1.00 0.61 H new ATOM 0 HG22 ILE A 74 7.544 -2.951 1.053 1.00 0.61 H new ATOM 0 HG23 ILE A 74 7.620 -3.580 2.716 1.00 0.61 H new ATOM 0 HD11 ILE A 74 9.609 0.244 5.017 1.00 0.45 H new ATOM 0 HD12 ILE A 74 10.689 -0.214 3.679 1.00 0.45 H new ATOM 0 HD13 ILE A 74 9.201 0.704 3.347 1.00 0.45 H new ATOM 1239 N TYR A 75 11.693 -1.157 1.059 1.00 0.23 N ATOM 1240 CA TYR A 75 12.847 -0.263 1.036 1.00 0.26 C ATOM 1241 C TYR A 75 12.394 1.155 0.666 1.00 0.37 C ATOM 1242 O TYR A 75 13.172 1.969 0.177 1.00 0.78 O ATOM 1243 CB TYR A 75 13.885 -0.813 0.041 1.00 0.43 C ATOM 1244 CG TYR A 75 15.281 -0.921 0.619 1.00 0.82 C ATOM 1245 CD1 TYR A 75 15.916 -2.173 0.675 1.00 2.09 C ATOM 1246 CD2 TYR A 75 15.941 0.219 1.107 1.00 2.07 C ATOM 1247 CE1 TYR A 75 17.202 -2.294 1.221 1.00 2.42 C ATOM 1248 CE2 TYR A 75 17.230 0.108 1.661 1.00 2.51 C ATOM 1249 CZ TYR A 75 17.867 -1.153 1.720 1.00 2.02 C ATOM 1250 OH TYR A 75 19.116 -1.276 2.249 1.00 2.63 O ATOM 0 H TYR A 75 11.129 -1.109 0.210 1.00 0.23 H new ATOM 0 HA TYR A 75 13.312 -0.212 2.021 1.00 0.26 H new ATOM 0 HB2 TYR A 75 13.564 -1.798 -0.299 1.00 0.43 H new ATOM 0 HB3 TYR A 75 13.913 -0.167 -0.836 1.00 0.43 H new ATOM 0 HD1 TYR A 75 15.410 -3.048 0.295 1.00 2.09 H new ATOM 0 HD2 TYR A 75 15.458 1.184 1.057 1.00 2.07 H new ATOM 0 HE1 TYR A 75 17.684 -3.260 1.260 1.00 2.42 H new ATOM 0 HE2 TYR A 75 17.732 0.985 2.041 1.00 2.51 H new ATOM 0 HH TYR A 75 19.433 -0.398 2.546 1.00 2.63 H new ATOM 1260 N HIS A 76 11.110 1.453 0.870 1.00 0.23 N ATOM 1261 CA HIS A 76 10.524 2.739 0.532 1.00 0.21 C ATOM 1262 C HIS A 76 10.430 3.537 1.818 1.00 0.24 C ATOM 1263 O HIS A 76 9.915 3.007 2.793 1.00 0.32 O ATOM 1264 CB HIS A 76 9.109 2.542 -0.019 1.00 0.31 C ATOM 1265 CG HIS A 76 9.055 1.603 -1.190 1.00 0.66 C ATOM 1266 ND1 HIS A 76 9.350 1.927 -2.484 1.00 1.05 N flip ATOM 1267 CD2 HIS A 76 8.719 0.265 -1.133 1.00 1.22 C flip ATOM 1268 CE1 HIS A 76 9.230 0.762 -3.215 1.00 1.39 C flip ATOM 1269 NE2 HIS A 76 8.851 -0.226 -2.375 1.00 1.57 N flip ATOM 0 H HIS A 76 10.445 0.797 1.279 1.00 0.23 H new ATOM 0 HA HIS A 76 11.131 3.246 -0.218 1.00 0.21 H new ATOM 0 HB2 HIS A 76 8.467 2.160 0.775 1.00 0.31 H new ATOM 0 HB3 HIS A 76 8.705 3.509 -0.318 1.00 0.31 H new ATOM 0 HD2 HIS A 76 8.409 -0.283 -0.255 1.00 1.22 H new ATOM 0 HE1 HIS A 76 9.408 0.658 -4.275 1.00 1.39 H new ATOM 0 HE2 HIS A 76 8.690 -1.197 -2.644 1.00 1.57 H new ATOM 1278 N PRO A 77 10.818 4.812 1.828 1.00 0.24 N ATOM 1279 CA PRO A 77 10.791 5.621 3.034 1.00 0.24 C ATOM 1280 C PRO A 77 9.369 5.869 3.531 1.00 0.23 C ATOM 1281 O PRO A 77 9.156 6.245 4.677 1.00 0.23 O ATOM 1282 CB PRO A 77 11.466 6.924 2.622 1.00 0.25 C ATOM 1283 CG PRO A 77 11.160 7.043 1.131 1.00 0.25 C ATOM 1284 CD PRO A 77 11.241 5.588 0.676 1.00 0.24 C ATOM 0 HA PRO A 77 11.295 5.127 3.865 1.00 0.24 H new ATOM 0 HB2 PRO A 77 11.070 7.773 3.180 1.00 0.25 H new ATOM 0 HB3 PRO A 77 12.540 6.894 2.808 1.00 0.25 H new ATOM 0 HG2 PRO A 77 10.175 7.474 0.949 1.00 0.25 H new ATOM 0 HG3 PRO A 77 11.884 7.673 0.615 1.00 0.25 H new ATOM 0 HD2 PRO A 77 10.594 5.406 -0.182 1.00 0.24 H new ATOM 0 HD3 PRO A 77 12.254 5.325 0.373 1.00 0.24 H new ATOM 1292 N ASN A 78 8.383 5.737 2.649 1.00 0.25 N ATOM 1293 CA ASN A 78 7.001 6.107 2.926 1.00 0.25 C ATOM 1294 C ASN A 78 6.337 5.088 3.850 1.00 0.20 C ATOM 1295 O ASN A 78 5.268 5.350 4.400 1.00 0.27 O ATOM 1296 CB ASN A 78 6.230 6.226 1.605 1.00 0.33 C ATOM 1297 CG ASN A 78 7.139 6.721 0.491 1.00 1.07 C ATOM 1298 OD1 ASN A 78 7.661 5.915 -0.268 1.00 2.32 O ATOM 1299 ND2 ASN A 78 7.475 8.002 0.474 1.00 2.13 N ATOM 0 H ASN A 78 8.524 5.365 1.710 1.00 0.25 H new ATOM 0 HA ASN A 78 6.988 7.070 3.436 1.00 0.25 H new ATOM 0 HB2 ASN A 78 5.811 5.257 1.335 1.00 0.33 H new ATOM 0 HB3 ASN A 78 5.392 6.912 1.728 1.00 0.33 H new ATOM 0 HD21 ASN A 78 8.182 8.335 -0.181 1.00 2.13 H new ATOM 0 HD22 ASN A 78 7.026 8.655 1.116 1.00 2.13 H new ATOM 1306 N ILE A 79 6.962 3.918 3.987 1.00 0.15 N ATOM 1307 CA ILE A 79 6.559 2.806 4.815 1.00 0.16 C ATOM 1308 C ILE A 79 7.758 2.562 5.751 1.00 0.18 C ATOM 1309 O ILE A 79 8.847 3.074 5.498 1.00 0.21 O ATOM 1310 CB ILE A 79 6.212 1.635 3.865 1.00 0.20 C ATOM 1311 CG1 ILE A 79 5.181 2.072 2.802 1.00 0.21 C ATOM 1312 CG2 ILE A 79 5.665 0.396 4.589 1.00 0.25 C ATOM 1313 CD1 ILE A 79 5.684 1.933 1.361 1.00 0.37 C ATOM 0 H ILE A 79 7.825 3.719 3.481 1.00 0.15 H new ATOM 0 HA ILE A 79 5.673 2.960 5.431 1.00 0.16 H new ATOM 0 HB ILE A 79 7.157 1.360 3.396 1.00 0.20 H new ATOM 0 HG12 ILE A 79 4.276 1.476 2.920 1.00 0.21 H new ATOM 0 HG13 ILE A 79 4.905 3.111 2.982 1.00 0.21 H new ATOM 0 HG21 ILE A 79 5.444 -0.384 3.860 1.00 0.25 H new ATOM 0 HG22 ILE A 79 6.409 0.030 5.297 1.00 0.25 H new ATOM 0 HG23 ILE A 79 4.753 0.661 5.125 1.00 0.25 H new ATOM 0 HD11 ILE A 79 4.906 2.259 0.671 1.00 0.37 H new ATOM 0 HD12 ILE A 79 6.572 2.551 1.224 1.00 0.37 H new ATOM 0 HD13 ILE A 79 5.933 0.891 1.161 1.00 0.37 H new ATOM 1325 N ASP A 80 7.584 1.825 6.843 1.00 0.21 N ATOM 1326 CA ASP A 80 8.657 1.470 7.762 1.00 0.29 C ATOM 1327 C ASP A 80 9.026 0.014 7.516 1.00 0.24 C ATOM 1328 O ASP A 80 8.255 -0.728 6.908 1.00 0.21 O ATOM 1329 CB ASP A 80 8.165 1.640 9.199 1.00 0.45 C ATOM 1330 CG ASP A 80 9.246 1.300 10.225 1.00 0.69 C ATOM 1331 OD1 ASP A 80 10.194 2.110 10.374 1.00 1.69 O ATOM 1332 OD2 ASP A 80 9.105 0.208 10.823 1.00 1.20 O ATOM 0 H ASP A 80 6.676 1.451 7.118 1.00 0.21 H new ATOM 0 HA ASP A 80 9.525 2.110 7.605 1.00 0.29 H new ATOM 0 HB2 ASP A 80 7.835 2.668 9.349 1.00 0.45 H new ATOM 0 HB3 ASP A 80 7.298 1.000 9.362 1.00 0.45 H new ATOM 1337 N GLU A 81 10.178 -0.420 8.017 1.00 0.30 N ATOM 1338 CA GLU A 81 10.676 -1.776 7.853 1.00 0.34 C ATOM 1339 C GLU A 81 9.656 -2.794 8.356 1.00 0.30 C ATOM 1340 O GLU A 81 9.525 -3.880 7.792 1.00 0.31 O ATOM 1341 CB GLU A 81 12.033 -1.956 8.555 1.00 0.43 C ATOM 1342 CG GLU A 81 13.244 -1.568 7.689 1.00 0.77 C ATOM 1343 CD GLU A 81 13.531 -0.062 7.604 1.00 2.56 C ATOM 1344 OE1 GLU A 81 12.575 0.731 7.726 1.00 3.74 O ATOM 1345 OE2 GLU A 81 14.714 0.289 7.411 1.00 3.56 O ATOM 0 H GLU A 81 10.803 0.176 8.560 1.00 0.30 H new ATOM 0 HA GLU A 81 10.829 -1.952 6.788 1.00 0.34 H new ATOM 0 HB2 GLU A 81 12.042 -1.355 9.464 1.00 0.43 H new ATOM 0 HB3 GLU A 81 12.137 -2.997 8.860 1.00 0.43 H new ATOM 0 HG2 GLU A 81 14.128 -2.068 8.084 1.00 0.77 H new ATOM 0 HG3 GLU A 81 13.086 -1.949 6.680 1.00 0.77 H new ATOM 1352 N LYS A 82 8.882 -2.442 9.384 1.00 0.30 N ATOM 1353 CA LYS A 82 7.830 -3.304 9.911 1.00 0.28 C ATOM 1354 C LYS A 82 6.552 -3.223 9.070 1.00 0.24 C ATOM 1355 O LYS A 82 5.470 -3.523 9.567 1.00 0.27 O ATOM 1356 CB LYS A 82 7.588 -2.898 11.375 1.00 0.36 C ATOM 1357 CG LYS A 82 7.700 -4.088 12.333 1.00 0.88 C ATOM 1358 CD LYS A 82 8.357 -3.597 13.624 1.00 1.07 C ATOM 1359 CE LYS A 82 8.367 -4.713 14.671 1.00 1.52 C ATOM 1360 NZ LYS A 82 9.211 -4.358 15.833 1.00 2.00 N ATOM 0 H LYS A 82 8.969 -1.551 9.873 1.00 0.30 H new ATOM 0 HA LYS A 82 8.141 -4.348 9.863 1.00 0.28 H new ATOM 0 HB2 LYS A 82 8.310 -2.134 11.662 1.00 0.36 H new ATOM 0 HB3 LYS A 82 6.598 -2.452 11.467 1.00 0.36 H new ATOM 0 HG2 LYS A 82 6.714 -4.503 12.542 1.00 0.88 H new ATOM 0 HG3 LYS A 82 8.293 -4.885 11.883 1.00 0.88 H new ATOM 0 HD2 LYS A 82 9.377 -3.271 13.420 1.00 1.07 H new ATOM 0 HD3 LYS A 82 7.817 -2.732 14.009 1.00 1.07 H new ATOM 0 HE2 LYS A 82 7.348 -4.908 15.006 1.00 1.52 H new ATOM 0 HE3 LYS A 82 8.736 -5.634 14.219 1.00 1.52 H new ATOM 0 HZ1 LYS A 82 9.196 -5.136 16.524 1.00 2.00 H new ATOM 0 HZ2 LYS A 82 10.188 -4.196 15.516 1.00 2.00 H new ATOM 0 HZ3 LYS A 82 8.843 -3.493 16.278 1.00 2.00 H new ATOM 1374 N GLY A 83 6.644 -2.777 7.818 1.00 0.21 N ATOM 1375 CA GLY A 83 5.535 -2.603 6.904 1.00 0.19 C ATOM 1376 C GLY A 83 4.590 -1.463 7.276 1.00 0.19 C ATOM 1377 O GLY A 83 3.666 -1.196 6.514 1.00 0.21 O ATOM 0 H GLY A 83 7.538 -2.517 7.402 1.00 0.21 H new ATOM 0 HA2 GLY A 83 5.928 -2.422 5.904 1.00 0.19 H new ATOM 0 HA3 GLY A 83 4.966 -3.532 6.860 1.00 0.19 H new ATOM 1381 N GLN A 84 4.755 -0.808 8.427 1.00 0.20 N ATOM 1382 CA GLN A 84 3.806 0.198 8.876 1.00 0.21 C ATOM 1383 C GLN A 84 3.813 1.405 7.946 1.00 0.21 C ATOM 1384 O GLN A 84 4.805 1.677 7.286 1.00 0.25 O ATOM 1385 CB GLN A 84 4.145 0.638 10.301 1.00 0.21 C ATOM 1386 CG GLN A 84 3.841 -0.487 11.293 1.00 0.41 C ATOM 1387 CD GLN A 84 3.780 0.042 12.719 1.00 0.85 C ATOM 1388 OE1 GLN A 84 2.705 0.102 13.310 1.00 1.28 O ATOM 1389 NE2 GLN A 84 4.909 0.449 13.283 1.00 1.33 N ATOM 0 H GLN A 84 5.539 -0.960 9.061 1.00 0.20 H new ATOM 0 HA GLN A 84 2.809 -0.242 8.862 1.00 0.21 H new ATOM 0 HB2 GLN A 84 5.198 0.912 10.363 1.00 0.21 H new ATOM 0 HB3 GLN A 84 3.569 1.526 10.561 1.00 0.21 H new ATOM 0 HG2 GLN A 84 2.892 -0.957 11.035 1.00 0.41 H new ATOM 0 HG3 GLN A 84 4.608 -1.258 11.220 1.00 0.41 H new ATOM 0 HE21 GLN A 84 5.787 0.387 12.768 1.00 1.33 H new ATOM 0 HE22 GLN A 84 4.899 0.824 14.232 1.00 1.33 H new ATOM 1398 N VAL A 85 2.716 2.154 7.914 1.00 0.22 N ATOM 1399 CA VAL A 85 2.573 3.273 6.994 1.00 0.21 C ATOM 1400 C VAL A 85 2.182 4.538 7.753 1.00 0.22 C ATOM 1401 O VAL A 85 1.559 4.451 8.811 1.00 0.24 O ATOM 1402 CB VAL A 85 1.527 2.909 5.941 1.00 0.20 C ATOM 1403 CG1 VAL A 85 1.945 1.686 5.124 1.00 0.21 C ATOM 1404 CG2 VAL A 85 0.161 2.647 6.567 1.00 0.23 C ATOM 0 H VAL A 85 1.909 2.004 8.519 1.00 0.22 H new ATOM 0 HA VAL A 85 3.523 3.474 6.498 1.00 0.21 H new ATOM 0 HB VAL A 85 1.454 3.770 5.277 1.00 0.20 H new ATOM 0 HG11 VAL A 85 1.175 1.460 4.387 1.00 0.21 H new ATOM 0 HG12 VAL A 85 2.886 1.893 4.614 1.00 0.21 H new ATOM 0 HG13 VAL A 85 2.073 0.831 5.788 1.00 0.21 H new ATOM 0 HG21 VAL A 85 -0.554 2.392 5.785 1.00 0.23 H new ATOM 0 HG22 VAL A 85 0.237 1.821 7.274 1.00 0.23 H new ATOM 0 HG23 VAL A 85 -0.177 3.542 7.090 1.00 0.23 H new ATOM 1414 N CYS A 86 2.526 5.714 7.222 1.00 0.22 N ATOM 1415 CA CYS A 86 2.038 6.974 7.761 1.00 0.22 C ATOM 1416 C CYS A 86 1.787 7.951 6.610 1.00 0.22 C ATOM 1417 O CYS A 86 2.663 8.745 6.277 1.00 0.28 O ATOM 1418 CB CYS A 86 3.048 7.520 8.779 1.00 0.25 C ATOM 1419 SG CYS A 86 2.211 8.636 9.937 1.00 0.37 S ATOM 0 H CYS A 86 3.143 5.814 6.416 1.00 0.22 H new ATOM 0 HA CYS A 86 1.093 6.828 8.284 1.00 0.22 H new ATOM 0 HB2 CYS A 86 3.511 6.697 9.323 1.00 0.25 H new ATOM 0 HB3 CYS A 86 3.848 8.050 8.263 1.00 0.25 H new ATOM 0 HG CYS A 86 3.071 9.093 10.798 1.00 0.37 H new ATOM 1425 N LEU A 87 0.615 7.880 5.970 1.00 0.20 N ATOM 1426 CA LEU A 87 0.255 8.738 4.847 1.00 0.19 C ATOM 1427 C LEU A 87 -0.971 9.557 5.247 1.00 0.19 C ATOM 1428 O LEU A 87 -1.796 9.074 6.024 1.00 0.18 O ATOM 1429 CB LEU A 87 -0.079 7.902 3.600 1.00 0.17 C ATOM 1430 CG LEU A 87 1.049 7.057 2.996 1.00 0.17 C ATOM 1431 CD1 LEU A 87 2.388 7.788 2.942 1.00 0.19 C ATOM 1432 CD2 LEU A 87 1.226 5.717 3.700 1.00 0.16 C ATOM 0 H LEU A 87 -0.116 7.215 6.224 1.00 0.20 H new ATOM 0 HA LEU A 87 1.097 9.387 4.606 1.00 0.19 H new ATOM 0 HB2 LEU A 87 -0.902 7.234 3.853 1.00 0.17 H new ATOM 0 HB3 LEU A 87 -0.443 8.579 2.828 1.00 0.17 H new ATOM 0 HG LEU A 87 0.727 6.869 1.972 1.00 0.17 H new ATOM 0 HD11 LEU A 87 3.142 7.134 2.504 1.00 0.19 H new ATOM 0 HD12 LEU A 87 2.288 8.686 2.332 1.00 0.19 H new ATOM 0 HD13 LEU A 87 2.691 8.067 3.951 1.00 0.19 H new ATOM 0 HD21 LEU A 87 2.038 5.163 3.229 1.00 0.16 H new ATOM 0 HD22 LEU A 87 1.463 5.886 4.750 1.00 0.16 H new ATOM 0 HD23 LEU A 87 0.303 5.142 3.625 1.00 0.16 H new ATOM 1444 N PRO A 88 -1.149 10.765 4.690 1.00 0.21 N ATOM 1445 CA PRO A 88 -2.229 11.661 5.075 1.00 0.21 C ATOM 1446 C PRO A 88 -3.617 11.051 4.859 1.00 0.25 C ATOM 1447 O PRO A 88 -4.542 11.372 5.596 1.00 0.42 O ATOM 1448 CB PRO A 88 -2.012 12.957 4.289 1.00 0.26 C ATOM 1449 CG PRO A 88 -1.102 12.547 3.132 1.00 0.26 C ATOM 1450 CD PRO A 88 -0.279 11.402 3.718 1.00 0.24 C ATOM 0 HA PRO A 88 -2.203 11.857 6.147 1.00 0.21 H new ATOM 0 HB2 PRO A 88 -2.955 13.366 3.928 1.00 0.26 H new ATOM 0 HB3 PRO A 88 -1.548 13.725 4.908 1.00 0.26 H new ATOM 0 HG2 PRO A 88 -1.677 12.225 2.263 1.00 0.26 H new ATOM 0 HG3 PRO A 88 -0.468 13.372 2.807 1.00 0.26 H new ATOM 0 HD2 PRO A 88 0.026 10.699 2.942 1.00 0.24 H new ATOM 0 HD3 PRO A 88 0.632 11.772 4.188 1.00 0.24 H new ATOM 1458 N VAL A 89 -3.756 10.139 3.896 1.00 0.21 N ATOM 1459 CA VAL A 89 -5.011 9.455 3.572 1.00 0.18 C ATOM 1460 C VAL A 89 -5.610 8.737 4.786 1.00 0.18 C ATOM 1461 O VAL A 89 -6.824 8.548 4.846 1.00 0.20 O ATOM 1462 CB VAL A 89 -4.817 8.494 2.379 1.00 0.15 C ATOM 1463 CG1 VAL A 89 -4.571 9.305 1.102 1.00 0.16 C ATOM 1464 CG2 VAL A 89 -3.641 7.532 2.587 1.00 0.15 C ATOM 0 H VAL A 89 -2.979 9.847 3.303 1.00 0.21 H new ATOM 0 HA VAL A 89 -5.733 10.217 3.278 1.00 0.18 H new ATOM 0 HB VAL A 89 -5.727 7.899 2.294 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -4.434 8.626 0.260 1.00 0.16 H new ATOM 0 HG12 VAL A 89 -5.427 9.952 0.911 1.00 0.16 H new ATOM 0 HG13 VAL A 89 -3.676 9.915 1.225 1.00 0.16 H new ATOM 0 HG21 VAL A 89 -3.548 6.878 1.720 1.00 0.15 H new ATOM 0 HG22 VAL A 89 -2.721 8.103 2.711 1.00 0.15 H new ATOM 0 HG23 VAL A 89 -3.817 6.930 3.478 1.00 0.15 H new ATOM 1474 N ILE A 90 -4.768 8.313 5.736 1.00 0.17 N ATOM 1475 CA ILE A 90 -5.177 7.644 6.967 1.00 0.17 C ATOM 1476 C ILE A 90 -4.520 8.286 8.185 1.00 0.19 C ATOM 1477 O ILE A 90 -4.425 7.674 9.247 1.00 0.20 O ATOM 1478 CB ILE A 90 -4.848 6.148 6.877 1.00 0.16 C ATOM 1479 CG1 ILE A 90 -3.340 5.924 6.666 1.00 0.16 C ATOM 1480 CG2 ILE A 90 -5.681 5.556 5.738 1.00 0.16 C ATOM 1481 CD1 ILE A 90 -3.007 4.448 6.475 1.00 0.17 C ATOM 0 H ILE A 90 -3.757 8.431 5.663 1.00 0.17 H new ATOM 0 HA ILE A 90 -6.255 7.756 7.088 1.00 0.17 H new ATOM 0 HB ILE A 90 -5.099 5.646 7.811 1.00 0.16 H new ATOM 0 HG12 ILE A 90 -3.008 6.487 5.794 1.00 0.16 H new ATOM 0 HG13 ILE A 90 -2.791 6.312 7.524 1.00 0.16 H new ATOM 0 HG21 ILE A 90 -5.469 4.491 5.648 1.00 0.16 H new ATOM 0 HG22 ILE A 90 -6.741 5.699 5.950 1.00 0.16 H new ATOM 0 HG23 ILE A 90 -5.427 6.056 4.804 1.00 0.16 H new ATOM 0 HD11 ILE A 90 -1.933 4.333 6.329 1.00 0.17 H new ATOM 0 HD12 ILE A 90 -3.315 3.888 7.358 1.00 0.17 H new ATOM 0 HD13 ILE A 90 -3.535 4.066 5.601 1.00 0.17 H new ATOM 1493 N SER A 91 -4.050 9.520 8.042 1.00 0.24 N ATOM 1494 CA SER A 91 -3.509 10.256 9.163 1.00 0.29 C ATOM 1495 C SER A 91 -4.647 10.550 10.135 1.00 0.30 C ATOM 1496 O SER A 91 -5.802 10.629 9.731 1.00 0.40 O ATOM 1497 CB SER A 91 -2.861 11.522 8.611 1.00 0.40 C ATOM 1498 OG SER A 91 -2.629 12.478 9.629 1.00 0.60 O ATOM 0 H SER A 91 -4.036 10.027 7.157 1.00 0.24 H new ATOM 0 HA SER A 91 -2.750 9.695 9.708 1.00 0.29 H new ATOM 0 HB2 SER A 91 -1.917 11.267 8.129 1.00 0.40 H new ATOM 0 HB3 SER A 91 -3.504 11.955 7.844 1.00 0.40 H new ATOM 0 HG SER A 91 -2.212 13.275 9.240 1.00 0.60 H new ATOM 1504 N ALA A 92 -4.332 10.733 11.418 1.00 0.34 N ATOM 1505 CA ALA A 92 -5.335 11.133 12.390 1.00 0.38 C ATOM 1506 C ALA A 92 -5.819 12.548 12.073 1.00 0.43 C ATOM 1507 O ALA A 92 -7.019 12.797 12.023 1.00 0.44 O ATOM 1508 CB ALA A 92 -4.760 11.036 13.805 1.00 0.46 C ATOM 0 H ALA A 92 -3.395 10.610 11.801 1.00 0.34 H new ATOM 0 HA ALA A 92 -6.192 10.462 12.335 1.00 0.38 H new ATOM 0 HB1 ALA A 92 -5.518 11.338 14.527 1.00 0.46 H new ATOM 0 HB2 ALA A 92 -4.457 10.008 14.005 1.00 0.46 H new ATOM 0 HB3 ALA A 92 -3.895 11.693 13.892 1.00 0.46 H new ATOM 1514 N GLU A 93 -4.898 13.483 11.834 1.00 0.49 N ATOM 1515 CA GLU A 93 -5.277 14.864 11.552 1.00 0.59 C ATOM 1516 C GLU A 93 -6.014 14.981 10.220 1.00 0.56 C ATOM 1517 O GLU A 93 -6.817 15.891 10.039 1.00 0.75 O ATOM 1518 CB GLU A 93 -4.050 15.780 11.557 1.00 0.73 C ATOM 1519 CG GLU A 93 -3.494 15.939 12.974 1.00 1.05 C ATOM 1520 CD GLU A 93 -2.545 17.134 13.042 1.00 1.40 C ATOM 1521 OE1 GLU A 93 -1.335 16.916 12.813 1.00 2.13 O ATOM 1522 OE2 GLU A 93 -3.051 18.249 13.299 1.00 2.35 O ATOM 0 H GLU A 93 -3.893 13.309 11.830 1.00 0.49 H new ATOM 0 HA GLU A 93 -5.955 15.182 12.344 1.00 0.59 H new ATOM 0 HB2 GLU A 93 -3.281 15.368 10.904 1.00 0.73 H new ATOM 0 HB3 GLU A 93 -4.319 16.757 11.156 1.00 0.73 H new ATOM 0 HG2 GLU A 93 -4.313 16.076 13.680 1.00 1.05 H new ATOM 0 HG3 GLU A 93 -2.968 15.031 13.269 1.00 1.05 H new ATOM 1529 N ASN A 94 -5.761 14.066 9.280 1.00 0.44 N ATOM 1530 CA ASN A 94 -6.481 14.050 8.010 1.00 0.44 C ATOM 1531 C ASN A 94 -7.353 12.802 7.917 1.00 0.39 C ATOM 1532 O ASN A 94 -7.617 12.294 6.829 1.00 0.44 O ATOM 1533 CB ASN A 94 -5.508 14.179 6.835 1.00 0.54 C ATOM 1534 CG ASN A 94 -5.068 15.619 6.639 1.00 1.03 C ATOM 1535 OD1 ASN A 94 -5.586 16.307 5.764 1.00 1.95 O ATOM 1536 ND2 ASN A 94 -4.137 16.094 7.456 1.00 0.79 N ATOM 0 H ASN A 94 -5.063 13.329 9.377 1.00 0.44 H new ATOM 0 HA ASN A 94 -7.146 14.913 7.961 1.00 0.44 H new ATOM 0 HB2 ASN A 94 -4.635 13.551 7.012 1.00 0.54 H new ATOM 0 HB3 ASN A 94 -5.984 13.815 5.924 1.00 0.54 H new ATOM 0 HD21 ASN A 94 -3.828 17.062 7.369 1.00 0.79 H new ATOM 0 HD22 ASN A 94 -3.730 15.491 8.171 1.00 0.79 H new ATOM 1543 N TRP A 95 -7.866 12.335 9.053 1.00 0.36 N ATOM 1544 CA TRP A 95 -8.832 11.252 9.062 1.00 0.37 C ATOM 1545 C TRP A 95 -10.090 11.768 8.377 1.00 0.41 C ATOM 1546 O TRP A 95 -10.829 12.583 8.926 1.00 0.49 O ATOM 1547 CB TRP A 95 -9.103 10.792 10.499 1.00 0.38 C ATOM 1548 CG TRP A 95 -10.442 10.170 10.761 1.00 0.39 C ATOM 1549 CD1 TRP A 95 -10.957 9.056 10.189 1.00 0.35 C ATOM 1550 CD2 TRP A 95 -11.479 10.682 11.648 1.00 0.55 C ATOM 1551 NE1 TRP A 95 -12.236 8.839 10.672 1.00 0.38 N ATOM 1552 CE2 TRP A 95 -12.617 9.833 11.554 1.00 0.51 C ATOM 1553 CE3 TRP A 95 -11.566 11.794 12.512 1.00 0.79 C ATOM 1554 CZ2 TRP A 95 -13.792 10.091 12.275 1.00 0.64 C ATOM 1555 CZ3 TRP A 95 -12.732 12.048 13.255 1.00 0.95 C ATOM 1556 CH2 TRP A 95 -13.846 11.199 13.136 1.00 0.86 C ATOM 0 H TRP A 95 -7.625 12.693 9.977 1.00 0.36 H new ATOM 0 HA TRP A 95 -8.457 10.379 8.527 1.00 0.37 H new ATOM 0 HB2 TRP A 95 -8.332 10.073 10.778 1.00 0.38 H new ATOM 0 HB3 TRP A 95 -8.991 11.652 11.159 1.00 0.38 H new ATOM 0 HD1 TRP A 95 -10.449 8.433 9.468 1.00 0.35 H new ATOM 0 HE1 TRP A 95 -12.823 8.047 10.410 1.00 0.38 H new ATOM 0 HE3 TRP A 95 -10.722 12.462 12.604 1.00 0.79 H new ATOM 0 HZ2 TRP A 95 -14.649 9.442 12.169 1.00 0.64 H new ATOM 0 HZ3 TRP A 95 -12.772 12.898 13.920 1.00 0.95 H new ATOM 0 HH2 TRP A 95 -14.742 11.398 13.706 1.00 0.86 H new ATOM 1567 N LYS A 96 -10.327 11.317 7.147 1.00 0.46 N ATOM 1568 CA LYS A 96 -11.531 11.659 6.414 1.00 0.50 C ATOM 1569 C LYS A 96 -12.404 10.416 6.448 1.00 0.37 C ATOM 1570 O LYS A 96 -12.048 9.429 5.814 1.00 0.36 O ATOM 1571 CB LYS A 96 -11.179 12.081 4.976 1.00 0.64 C ATOM 1572 CG LYS A 96 -11.057 13.606 4.832 1.00 0.74 C ATOM 1573 CD LYS A 96 -9.975 14.207 5.738 1.00 0.95 C ATOM 1574 CE LYS A 96 -9.954 15.738 5.684 1.00 1.31 C ATOM 1575 NZ LYS A 96 -9.202 16.252 4.519 1.00 2.23 N ATOM 0 H LYS A 96 -9.689 10.707 6.637 1.00 0.46 H new ATOM 0 HA LYS A 96 -12.057 12.506 6.855 1.00 0.50 H new ATOM 0 HB2 LYS A 96 -10.239 11.614 4.682 1.00 0.64 H new ATOM 0 HB3 LYS A 96 -11.945 11.713 4.293 1.00 0.64 H new ATOM 0 HG2 LYS A 96 -10.832 13.851 3.794 1.00 0.74 H new ATOM 0 HG3 LYS A 96 -12.017 14.066 5.067 1.00 0.74 H new ATOM 0 HD2 LYS A 96 -10.144 13.884 6.765 1.00 0.95 H new ATOM 0 HD3 LYS A 96 -9.000 13.822 5.440 1.00 0.95 H new ATOM 0 HE2 LYS A 96 -10.977 16.111 5.646 1.00 1.31 H new ATOM 0 HE3 LYS A 96 -9.508 16.125 6.600 1.00 1.31 H new ATOM 0 HZ1 LYS A 96 -9.217 17.292 4.527 1.00 2.23 H new ATOM 0 HZ2 LYS A 96 -8.218 15.920 4.567 1.00 2.23 H new ATOM 0 HZ3 LYS A 96 -9.642 15.907 3.642 1.00 2.23 H new ATOM 1589 N PRO A 97 -13.555 10.433 7.129 1.00 0.33 N ATOM 1590 CA PRO A 97 -14.449 9.287 7.159 1.00 0.31 C ATOM 1591 C PRO A 97 -15.082 9.032 5.787 1.00 0.38 C ATOM 1592 O PRO A 97 -15.552 7.933 5.510 1.00 0.61 O ATOM 1593 CB PRO A 97 -15.465 9.606 8.256 1.00 0.36 C ATOM 1594 CG PRO A 97 -15.508 11.133 8.279 1.00 0.39 C ATOM 1595 CD PRO A 97 -14.071 11.523 7.940 1.00 0.40 C ATOM 0 HA PRO A 97 -13.930 8.355 7.382 1.00 0.31 H new ATOM 0 HB2 PRO A 97 -16.443 9.181 8.031 1.00 0.36 H new ATOM 0 HB3 PRO A 97 -15.155 9.200 9.219 1.00 0.36 H new ATOM 0 HG2 PRO A 97 -16.216 11.528 7.550 1.00 0.39 H new ATOM 0 HG3 PRO A 97 -15.810 11.513 9.255 1.00 0.39 H new ATOM 0 HD2 PRO A 97 -14.038 12.467 7.396 1.00 0.40 H new ATOM 0 HD3 PRO A 97 -13.476 11.655 8.844 1.00 0.40 H new ATOM 1603 N ALA A 98 -15.066 10.029 4.899 1.00 0.39 N ATOM 1604 CA ALA A 98 -15.501 9.878 3.519 1.00 0.50 C ATOM 1605 C ALA A 98 -14.450 9.194 2.635 1.00 0.42 C ATOM 1606 O ALA A 98 -14.738 8.886 1.480 1.00 0.46 O ATOM 1607 CB ALA A 98 -15.796 11.268 2.965 1.00 0.66 C ATOM 0 H ALA A 98 -14.747 10.971 5.126 1.00 0.39 H new ATOM 0 HA ALA A 98 -16.385 9.241 3.509 1.00 0.50 H new ATOM 0 HB1 ALA A 98 -16.125 11.185 1.929 1.00 0.66 H new ATOM 0 HB2 ALA A 98 -16.581 11.737 3.558 1.00 0.66 H new ATOM 0 HB3 ALA A 98 -14.893 11.877 3.011 1.00 0.66 H new ATOM 1613 N THR A 99 -13.227 8.994 3.136 1.00 0.42 N ATOM 1614 CA THR A 99 -12.193 8.307 2.380 1.00 0.39 C ATOM 1615 C THR A 99 -12.606 6.857 2.150 1.00 0.44 C ATOM 1616 O THR A 99 -13.613 6.385 2.682 1.00 0.69 O ATOM 1617 CB THR A 99 -10.827 8.425 3.078 1.00 0.44 C ATOM 1618 OG1 THR A 99 -9.829 8.294 2.096 1.00 0.50 O ATOM 1619 CG2 THR A 99 -10.549 7.362 4.145 1.00 0.49 C ATOM 0 H THR A 99 -12.935 9.301 4.064 1.00 0.42 H new ATOM 0 HA THR A 99 -12.081 8.782 1.405 1.00 0.39 H new ATOM 0 HB THR A 99 -10.831 9.389 3.586 1.00 0.44 H new ATOM 0 HG1 THR A 99 -8.946 8.367 2.515 1.00 0.50 H new ATOM 0 HG21 THR A 99 -9.563 7.530 4.578 1.00 0.49 H new ATOM 0 HG22 THR A 99 -11.305 7.426 4.928 1.00 0.49 H new ATOM 0 HG23 THR A 99 -10.581 6.372 3.690 1.00 0.49 H new ATOM 1627 N LYS A 100 -11.825 6.126 1.360 1.00 0.33 N ATOM 1628 CA LYS A 100 -12.064 4.711 1.154 1.00 0.34 C ATOM 1629 C LYS A 100 -10.763 4.042 0.761 1.00 0.26 C ATOM 1630 O LYS A 100 -9.742 4.698 0.563 1.00 0.25 O ATOM 1631 CB LYS A 100 -13.158 4.489 0.098 1.00 0.44 C ATOM 1632 CG LYS A 100 -12.876 5.192 -1.239 1.00 2.54 C ATOM 1633 CD LYS A 100 -13.656 6.504 -1.394 1.00 2.63 C ATOM 1634 CE LYS A 100 -15.160 6.235 -1.519 1.00 2.67 C ATOM 1635 NZ LYS A 100 -15.555 5.859 -2.890 1.00 3.11 N ATOM 0 H LYS A 100 -11.021 6.496 0.853 1.00 0.33 H new ATOM 0 HA LYS A 100 -12.423 4.262 2.080 1.00 0.34 H new ATOM 0 HB2 LYS A 100 -13.267 3.419 -0.080 1.00 0.44 H new ATOM 0 HB3 LYS A 100 -14.109 4.846 0.493 1.00 0.44 H new ATOM 0 HG2 LYS A 100 -11.808 5.397 -1.319 1.00 2.54 H new ATOM 0 HG3 LYS A 100 -13.134 4.522 -2.059 1.00 2.54 H new ATOM 0 HD2 LYS A 100 -13.468 7.147 -0.534 1.00 2.63 H new ATOM 0 HD3 LYS A 100 -13.304 7.039 -2.276 1.00 2.63 H new ATOM 0 HE2 LYS A 100 -15.441 5.437 -0.832 1.00 2.67 H new ATOM 0 HE3 LYS A 100 -15.711 7.125 -1.217 1.00 2.67 H new ATOM 0 HZ1 LYS A 100 -16.590 5.771 -2.941 1.00 3.11 H new ATOM 0 HZ2 LYS A 100 -15.237 6.591 -3.556 1.00 3.11 H new ATOM 0 HZ3 LYS A 100 -15.117 4.949 -3.140 1.00 3.11 H new ATOM 1649 N THR A 101 -10.811 2.726 0.624 1.00 0.25 N ATOM 1650 CA THR A 101 -9.683 1.929 0.202 1.00 0.24 C ATOM 1651 C THR A 101 -9.137 2.354 -1.150 1.00 0.22 C ATOM 1652 O THR A 101 -7.947 2.189 -1.361 1.00 0.24 O ATOM 1653 CB THR A 101 -10.084 0.467 0.143 1.00 0.28 C ATOM 1654 OG1 THR A 101 -11.460 0.397 -0.162 1.00 0.43 O ATOM 1655 CG2 THR A 101 -9.844 -0.210 1.487 1.00 0.31 C ATOM 0 H THR A 101 -11.652 2.178 0.807 1.00 0.25 H new ATOM 0 HA THR A 101 -8.892 2.081 0.936 1.00 0.24 H new ATOM 0 HB THR A 101 -9.488 -0.039 -0.616 1.00 0.28 H new ATOM 0 HG1 THR A 101 -11.787 -0.511 0.007 1.00 0.43 H new ATOM 0 HG21 THR A 101 -10.138 -1.258 1.424 1.00 0.31 H new ATOM 0 HG22 THR A 101 -8.787 -0.144 1.744 1.00 0.31 H new ATOM 0 HG23 THR A 101 -10.436 0.287 2.256 1.00 0.31 H new ATOM 1663 N ASP A 102 -9.946 2.910 -2.053 1.00 0.25 N ATOM 1664 CA ASP A 102 -9.429 3.533 -3.272 1.00 0.21 C ATOM 1665 C ASP A 102 -8.344 4.544 -2.913 1.00 0.18 C ATOM 1666 O ASP A 102 -7.211 4.443 -3.372 1.00 0.23 O ATOM 1667 CB ASP A 102 -10.582 4.157 -4.067 1.00 0.24 C ATOM 1668 CG ASP A 102 -10.120 5.343 -4.908 1.00 1.57 C ATOM 1669 OD1 ASP A 102 -10.401 6.477 -4.458 1.00 1.95 O ATOM 1670 OD2 ASP A 102 -9.484 5.093 -5.953 1.00 3.09 O ATOM 0 H ASP A 102 -10.962 2.942 -1.963 1.00 0.25 H new ATOM 0 HA ASP A 102 -8.969 2.782 -3.914 1.00 0.21 H new ATOM 0 HB2 ASP A 102 -11.025 3.402 -4.717 1.00 0.24 H new ATOM 0 HB3 ASP A 102 -11.362 4.482 -3.379 1.00 0.24 H new ATOM 1675 N GLN A 103 -8.667 5.483 -2.030 1.00 0.17 N ATOM 1676 CA GLN A 103 -7.741 6.523 -1.624 1.00 0.17 C ATOM 1677 C GLN A 103 -6.544 5.946 -0.890 1.00 0.16 C ATOM 1678 O GLN A 103 -5.435 6.467 -1.017 1.00 0.20 O ATOM 1679 CB GLN A 103 -8.466 7.579 -0.793 1.00 0.20 C ATOM 1680 CG GLN A 103 -9.687 8.084 -1.573 1.00 0.23 C ATOM 1681 CD GLN A 103 -10.237 9.401 -1.032 1.00 0.30 C ATOM 1682 OE1 GLN A 103 -9.530 10.214 -0.448 1.00 1.01 O ATOM 1683 NE2 GLN A 103 -11.530 9.643 -1.218 1.00 1.37 N ATOM 0 H GLN A 103 -9.580 5.541 -1.578 1.00 0.17 H new ATOM 0 HA GLN A 103 -7.352 7.008 -2.519 1.00 0.17 H new ATOM 0 HB2 GLN A 103 -8.779 7.156 0.162 1.00 0.20 H new ATOM 0 HB3 GLN A 103 -7.794 8.408 -0.570 1.00 0.20 H new ATOM 0 HG2 GLN A 103 -9.414 8.213 -2.620 1.00 0.23 H new ATOM 0 HG3 GLN A 103 -10.471 7.328 -1.539 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -12.112 8.961 -1.705 1.00 1.37 H new ATOM 0 HE22 GLN A 103 -11.941 10.511 -0.874 1.00 1.37 H new ATOM 1692 N VAL A 104 -6.740 4.875 -0.123 1.00 0.14 N ATOM 1693 CA VAL A 104 -5.638 4.307 0.624 1.00 0.14 C ATOM 1694 C VAL A 104 -4.648 3.658 -0.338 1.00 0.15 C ATOM 1695 O VAL A 104 -3.469 4.006 -0.358 1.00 0.17 O ATOM 1696 CB VAL A 104 -6.201 3.344 1.674 1.00 0.15 C ATOM 1697 CG1 VAL A 104 -5.066 2.586 2.337 1.00 0.15 C ATOM 1698 CG2 VAL A 104 -6.933 4.155 2.744 1.00 0.18 C ATOM 0 H VAL A 104 -7.634 4.397 -0.008 1.00 0.14 H new ATOM 0 HA VAL A 104 -5.081 5.075 1.160 1.00 0.14 H new ATOM 0 HB VAL A 104 -6.880 2.641 1.193 1.00 0.15 H new ATOM 0 HG11 VAL A 104 -5.472 1.903 3.083 1.00 0.15 H new ATOM 0 HG12 VAL A 104 -4.519 2.018 1.584 1.00 0.15 H new ATOM 0 HG13 VAL A 104 -4.391 3.292 2.821 1.00 0.15 H new ATOM 0 HG21 VAL A 104 -7.339 3.480 3.498 1.00 0.18 H new ATOM 0 HG22 VAL A 104 -6.236 4.849 3.215 1.00 0.18 H new ATOM 0 HG23 VAL A 104 -7.747 4.715 2.283 1.00 0.18 H new ATOM 1708 N ILE A 105 -5.134 2.722 -1.144 1.00 0.16 N ATOM 1709 CA ILE A 105 -4.352 1.918 -2.062 1.00 0.18 C ATOM 1710 C ILE A 105 -3.634 2.842 -3.029 1.00 0.18 C ATOM 1711 O ILE A 105 -2.419 2.737 -3.185 1.00 0.20 O ATOM 1712 CB ILE A 105 -5.272 0.909 -2.780 1.00 0.18 C ATOM 1713 CG1 ILE A 105 -5.591 -0.276 -1.851 1.00 0.17 C ATOM 1714 CG2 ILE A 105 -4.710 0.390 -4.112 1.00 0.20 C ATOM 1715 CD1 ILE A 105 -4.344 -1.010 -1.342 1.00 0.18 C ATOM 0 H ILE A 105 -6.128 2.496 -1.173 1.00 0.16 H new ATOM 0 HA ILE A 105 -3.598 1.339 -1.529 1.00 0.18 H new ATOM 0 HB ILE A 105 -6.183 1.456 -3.023 1.00 0.18 H new ATOM 0 HG12 ILE A 105 -6.163 0.086 -0.997 1.00 0.17 H new ATOM 0 HG13 ILE A 105 -6.227 -0.983 -2.383 1.00 0.17 H new ATOM 0 HG21 ILE A 105 -5.415 -0.314 -4.555 1.00 0.20 H new ATOM 0 HG22 ILE A 105 -4.557 1.227 -4.793 1.00 0.20 H new ATOM 0 HG23 ILE A 105 -3.759 -0.112 -3.935 1.00 0.20 H new ATOM 0 HD11 ILE A 105 -4.645 -1.833 -0.693 1.00 0.18 H new ATOM 0 HD12 ILE A 105 -3.782 -1.403 -2.189 1.00 0.18 H new ATOM 0 HD13 ILE A 105 -3.717 -0.317 -0.781 1.00 0.18 H new ATOM 1727 N GLN A 106 -4.374 3.752 -3.666 1.00 0.16 N ATOM 1728 CA GLN A 106 -3.785 4.689 -4.606 1.00 0.16 C ATOM 1729 C GLN A 106 -2.702 5.519 -3.920 1.00 0.16 C ATOM 1730 O GLN A 106 -1.736 5.878 -4.575 1.00 0.19 O ATOM 1731 CB GLN A 106 -4.856 5.528 -5.328 1.00 0.24 C ATOM 1732 CG GLN A 106 -5.388 6.732 -4.541 1.00 0.57 C ATOM 1733 CD GLN A 106 -4.549 7.991 -4.755 1.00 1.18 C ATOM 1734 OE1 GLN A 106 -4.496 8.534 -5.851 1.00 1.95 O ATOM 1735 NE2 GLN A 106 -3.879 8.484 -3.721 1.00 1.94 N ATOM 0 H GLN A 106 -5.381 3.855 -3.543 1.00 0.16 H new ATOM 0 HA GLN A 106 -3.290 4.129 -5.399 1.00 0.16 H new ATOM 0 HB2 GLN A 106 -4.439 5.886 -6.269 1.00 0.24 H new ATOM 0 HB3 GLN A 106 -5.695 4.879 -5.577 1.00 0.24 H new ATOM 0 HG2 GLN A 106 -6.417 6.931 -4.840 1.00 0.57 H new ATOM 0 HG3 GLN A 106 -5.406 6.488 -3.479 1.00 0.57 H new ATOM 0 HE21 GLN A 106 -3.931 8.023 -2.813 1.00 1.94 H new ATOM 0 HE22 GLN A 106 -3.312 9.324 -3.834 1.00 1.94 H new ATOM 1744 N SER A 107 -2.812 5.793 -2.614 1.00 0.16 N ATOM 1745 CA SER A 107 -1.734 6.403 -1.857 1.00 0.17 C ATOM 1746 C SER A 107 -0.512 5.497 -1.848 1.00 0.17 C ATOM 1747 O SER A 107 0.567 5.967 -2.180 1.00 0.21 O ATOM 1748 CB SER A 107 -2.147 6.716 -0.416 1.00 0.18 C ATOM 1749 OG SER A 107 -1.473 7.872 0.046 1.00 0.38 O ATOM 0 H SER A 107 -3.648 5.596 -2.064 1.00 0.16 H new ATOM 0 HA SER A 107 -1.492 7.344 -2.350 1.00 0.17 H new ATOM 0 HB2 SER A 107 -3.225 6.870 -0.364 1.00 0.18 H new ATOM 0 HB3 SER A 107 -1.914 5.869 0.229 1.00 0.18 H new ATOM 0 HG SER A 107 -1.344 7.810 1.015 1.00 0.38 H new ATOM 1755 N LEU A 108 -0.623 4.227 -1.439 1.00 0.17 N ATOM 1756 CA LEU A 108 0.575 3.400 -1.382 1.00 0.19 C ATOM 1757 C LEU A 108 1.240 3.355 -2.738 1.00 0.20 C ATOM 1758 O LEU A 108 2.442 3.529 -2.810 1.00 0.23 O ATOM 1759 CB LEU A 108 0.314 1.949 -0.987 1.00 0.20 C ATOM 1760 CG LEU A 108 -0.036 1.681 0.475 1.00 0.22 C ATOM 1761 CD1 LEU A 108 0.518 2.716 1.449 1.00 0.22 C ATOM 1762 CD2 LEU A 108 -1.532 1.507 0.669 1.00 0.23 C ATOM 0 H LEU A 108 -1.490 3.771 -1.156 1.00 0.17 H new ATOM 0 HA LEU A 108 1.198 3.865 -0.618 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -0.500 1.571 -1.605 1.00 0.20 H new ATOM 0 HB3 LEU A 108 1.200 1.365 -1.236 1.00 0.20 H new ATOM 0 HG LEU A 108 0.463 0.743 0.718 1.00 0.22 H new ATOM 0 HD11 LEU A 108 0.225 2.453 2.465 1.00 0.22 H new ATOM 0 HD12 LEU A 108 1.606 2.736 1.379 1.00 0.22 H new ATOM 0 HD13 LEU A 108 0.120 3.700 1.200 1.00 0.22 H new ATOM 0 HD21 LEU A 108 -1.743 1.318 1.722 1.00 0.23 H new ATOM 0 HD22 LEU A 108 -2.048 2.414 0.353 1.00 0.23 H new ATOM 0 HD23 LEU A 108 -1.881 0.664 0.072 1.00 0.23 H new ATOM 1774 N ILE A 109 0.493 3.105 -3.806 1.00 0.19 N ATOM 1775 CA ILE A 109 1.074 3.068 -5.137 1.00 0.21 C ATOM 1776 C ILE A 109 1.754 4.406 -5.400 1.00 0.22 C ATOM 1777 O ILE A 109 2.916 4.434 -5.788 1.00 0.31 O ATOM 1778 CB ILE A 109 -0.019 2.743 -6.161 1.00 0.22 C ATOM 1779 CG1 ILE A 109 -0.521 1.313 -5.909 1.00 0.19 C ATOM 1780 CG2 ILE A 109 0.493 2.848 -7.604 1.00 0.26 C ATOM 1781 CD1 ILE A 109 -2.007 1.198 -6.236 1.00 0.24 C ATOM 0 H ILE A 109 -0.511 2.926 -3.775 1.00 0.19 H new ATOM 0 HA ILE A 109 1.828 2.286 -5.222 1.00 0.21 H new ATOM 0 HB ILE A 109 -0.823 3.469 -6.040 1.00 0.22 H new ATOM 0 HG12 ILE A 109 0.046 0.610 -6.519 1.00 0.19 H new ATOM 0 HG13 ILE A 109 -0.351 1.041 -4.867 1.00 0.19 H new ATOM 0 HG21 ILE A 109 -0.315 2.609 -8.295 1.00 0.26 H new ATOM 0 HG22 ILE A 109 0.844 3.863 -7.793 1.00 0.26 H new ATOM 0 HG23 ILE A 109 1.315 2.147 -7.750 1.00 0.26 H new ATOM 0 HD11 ILE A 109 -2.342 0.178 -6.051 1.00 0.24 H new ATOM 0 HD12 ILE A 109 -2.572 1.886 -5.607 1.00 0.24 H new ATOM 0 HD13 ILE A 109 -2.169 1.449 -7.284 1.00 0.24 H new ATOM 1793 N ALA A 110 1.049 5.507 -5.155 1.00 0.19 N ATOM 1794 CA ALA A 110 1.528 6.856 -5.392 1.00 0.20 C ATOM 1795 C ALA A 110 2.864 7.106 -4.698 1.00 0.19 C ATOM 1796 O ALA A 110 3.709 7.778 -5.264 1.00 0.21 O ATOM 1797 CB ALA A 110 0.457 7.866 -4.961 1.00 0.20 C ATOM 0 H ALA A 110 0.103 5.479 -4.775 1.00 0.19 H new ATOM 0 HA ALA A 110 1.709 6.984 -6.459 1.00 0.20 H new ATOM 0 HB1 ALA A 110 0.819 8.879 -5.140 1.00 0.20 H new ATOM 0 HB2 ALA A 110 -0.453 7.699 -5.537 1.00 0.20 H new ATOM 0 HB3 ALA A 110 0.243 7.739 -3.900 1.00 0.20 H new ATOM 1803 N LEU A 111 3.079 6.572 -3.496 1.00 0.17 N ATOM 1804 CA LEU A 111 4.279 6.808 -2.705 1.00 0.19 C ATOM 1805 C LEU A 111 5.396 5.822 -3.061 1.00 0.24 C ATOM 1806 O LEU A 111 6.524 6.218 -3.324 1.00 0.50 O ATOM 1807 CB LEU A 111 3.913 6.716 -1.215 1.00 0.19 C ATOM 1808 CG LEU A 111 3.368 8.012 -0.581 1.00 0.20 C ATOM 1809 CD1 LEU A 111 3.897 9.302 -1.202 1.00 0.32 C ATOM 1810 CD2 LEU A 111 1.843 8.074 -0.597 1.00 0.25 C ATOM 0 H LEU A 111 2.410 5.952 -3.039 1.00 0.17 H new ATOM 0 HA LEU A 111 4.662 7.804 -2.928 1.00 0.19 H new ATOM 0 HB2 LEU A 111 3.168 5.931 -1.090 1.00 0.19 H new ATOM 0 HB3 LEU A 111 4.799 6.406 -0.660 1.00 0.19 H new ATOM 0 HG LEU A 111 3.738 7.956 0.443 1.00 0.20 H new ATOM 0 HD11 LEU A 111 3.458 10.159 -0.691 1.00 0.32 H new ATOM 0 HD12 LEU A 111 4.982 9.336 -1.101 1.00 0.32 H new ATOM 0 HD13 LEU A 111 3.630 9.334 -2.258 1.00 0.32 H new ATOM 0 HD21 LEU A 111 1.512 9.006 -0.139 1.00 0.25 H new ATOM 0 HD22 LEU A 111 1.488 8.029 -1.627 1.00 0.25 H new ATOM 0 HD23 LEU A 111 1.439 7.231 -0.037 1.00 0.25 H new ATOM 1822 N VAL A 112 5.092 4.528 -3.073 1.00 0.33 N ATOM 1823 CA VAL A 112 5.970 3.440 -3.495 1.00 0.30 C ATOM 1824 C VAL A 112 6.605 3.778 -4.847 1.00 0.38 C ATOM 1825 O VAL A 112 7.780 3.478 -5.066 1.00 0.46 O ATOM 1826 CB VAL A 112 5.140 2.137 -3.536 1.00 0.24 C ATOM 1827 CG1 VAL A 112 5.852 0.930 -4.150 1.00 0.27 C ATOM 1828 CG2 VAL A 112 4.760 1.690 -2.118 1.00 0.19 C ATOM 0 H VAL A 112 4.177 4.191 -2.772 1.00 0.33 H new ATOM 0 HA VAL A 112 6.791 3.301 -2.791 1.00 0.30 H new ATOM 0 HB VAL A 112 4.286 2.405 -4.158 1.00 0.24 H new ATOM 0 HG11 VAL A 112 5.186 0.067 -4.132 1.00 0.27 H new ATOM 0 HG12 VAL A 112 6.127 1.155 -5.181 1.00 0.27 H new ATOM 0 HG13 VAL A 112 6.751 0.707 -3.575 1.00 0.27 H new ATOM 0 HG21 VAL A 112 4.176 0.771 -2.170 1.00 0.19 H new ATOM 0 HG22 VAL A 112 5.665 1.512 -1.538 1.00 0.19 H new ATOM 0 HG23 VAL A 112 4.168 2.469 -1.637 1.00 0.19 H new ATOM 1838 N ASN A 113 5.816 4.370 -5.748 1.00 0.35 N ATOM 1839 CA ASN A 113 6.251 4.823 -7.060 1.00 0.38 C ATOM 1840 C ASN A 113 6.920 6.189 -6.980 1.00 0.36 C ATOM 1841 O ASN A 113 8.008 6.361 -7.523 1.00 0.44 O ATOM 1842 CB ASN A 113 5.070 4.890 -8.039 1.00 0.40 C ATOM 1843 CG ASN A 113 4.658 3.514 -8.540 1.00 1.12 C ATOM 1844 OD1 ASN A 113 4.945 3.156 -9.672 1.00 1.75 O ATOM 1845 ND2 ASN A 113 4.015 2.697 -7.724 1.00 2.08 N ATOM 0 H ASN A 113 4.827 4.550 -5.573 1.00 0.35 H new ATOM 0 HA ASN A 113 6.977 4.097 -7.426 1.00 0.38 H new ATOM 0 HB2 ASN A 113 4.221 5.365 -7.548 1.00 0.40 H new ATOM 0 HB3 ASN A 113 5.340 5.518 -8.888 1.00 0.40 H new ATOM 0 HD21 ASN A 113 3.756 1.762 -8.038 1.00 2.08 H new ATOM 0 HD22 ASN A 113 3.778 3.002 -6.780 1.00 2.08 H new ATOM 1852 N ASP A 114 6.254 7.157 -6.354 1.00 0.29 N ATOM 1853 CA ASP A 114 6.665 8.559 -6.326 1.00 0.37 C ATOM 1854 C ASP A 114 6.846 9.002 -4.868 1.00 0.35 C ATOM 1855 O ASP A 114 5.975 9.629 -4.264 1.00 0.33 O ATOM 1856 CB ASP A 114 5.650 9.419 -7.101 1.00 0.45 C ATOM 1857 CG ASP A 114 6.283 10.691 -7.662 1.00 0.75 C ATOM 1858 OD1 ASP A 114 7.461 10.954 -7.329 1.00 0.89 O ATOM 1859 OD2 ASP A 114 5.590 11.362 -8.458 1.00 1.32 O ATOM 0 H ASP A 114 5.391 6.983 -5.839 1.00 0.29 H new ATOM 0 HA ASP A 114 7.625 8.690 -6.825 1.00 0.37 H new ATOM 0 HB2 ASP A 114 5.229 8.833 -7.918 1.00 0.45 H new ATOM 0 HB3 ASP A 114 4.824 9.686 -6.442 1.00 0.45 H new ATOM 1864 N PRO A 115 7.960 8.607 -4.240 1.00 0.36 N ATOM 1865 CA PRO A 115 8.133 8.742 -2.805 1.00 0.30 C ATOM 1866 C PRO A 115 8.395 10.195 -2.419 1.00 0.29 C ATOM 1867 O PRO A 115 9.117 10.907 -3.111 1.00 0.42 O ATOM 1868 CB PRO A 115 9.322 7.839 -2.459 1.00 0.37 C ATOM 1869 CG PRO A 115 10.124 7.817 -3.755 1.00 0.49 C ATOM 1870 CD PRO A 115 9.029 7.816 -4.815 1.00 0.43 C ATOM 0 HA PRO A 115 7.239 8.451 -2.254 1.00 0.30 H new ATOM 0 HB2 PRO A 115 9.905 8.240 -1.630 1.00 0.37 H new ATOM 0 HB3 PRO A 115 8.999 6.840 -2.167 1.00 0.37 H new ATOM 0 HG2 PRO A 115 10.776 8.686 -3.845 1.00 0.49 H new ATOM 0 HG3 PRO A 115 10.759 6.934 -3.825 1.00 0.49 H new ATOM 0 HD2 PRO A 115 9.383 8.249 -5.750 1.00 0.43 H new ATOM 0 HD3 PRO A 115 8.696 6.803 -5.039 1.00 0.43 H new ATOM 1878 N GLN A 116 7.860 10.608 -1.267 1.00 0.24 N ATOM 1879 CA GLN A 116 8.013 11.953 -0.727 1.00 0.32 C ATOM 1880 C GLN A 116 9.194 12.001 0.262 1.00 0.25 C ATOM 1881 O GLN A 116 9.014 11.660 1.426 1.00 0.35 O ATOM 1882 CB GLN A 116 6.653 12.370 -0.108 1.00 0.47 C ATOM 1883 CG GLN A 116 6.233 11.635 1.185 1.00 2.30 C ATOM 1884 CD GLN A 116 4.742 11.720 1.511 1.00 2.45 C ATOM 1885 OE1 GLN A 116 3.927 12.202 0.739 1.00 2.40 O ATOM 1886 NE2 GLN A 116 4.344 11.212 2.672 1.00 3.19 N ATOM 0 H GLN A 116 7.296 9.999 -0.674 1.00 0.24 H new ATOM 0 HA GLN A 116 8.263 12.675 -1.504 1.00 0.32 H new ATOM 0 HB2 GLN A 116 6.687 13.439 0.102 1.00 0.47 H new ATOM 0 HB3 GLN A 116 5.875 12.216 -0.856 1.00 0.47 H new ATOM 0 HG2 GLN A 116 6.513 10.585 1.097 1.00 2.30 H new ATOM 0 HG3 GLN A 116 6.798 12.047 2.021 1.00 2.30 H new ATOM 0 HE21 GLN A 116 5.027 10.810 3.314 1.00 3.19 H new ATOM 0 HE22 GLN A 116 3.355 11.223 2.921 1.00 3.19 H new ATOM 1895 N PRO A 117 10.423 12.394 -0.126 1.00 0.24 N ATOM 1896 CA PRO A 117 11.537 12.498 0.812 1.00 0.26 C ATOM 1897 C PRO A 117 11.429 13.711 1.743 1.00 0.41 C ATOM 1898 O PRO A 117 12.256 13.852 2.636 1.00 0.78 O ATOM 1899 CB PRO A 117 12.812 12.527 -0.037 1.00 0.32 C ATOM 1900 CG PRO A 117 12.317 13.174 -1.332 1.00 0.40 C ATOM 1901 CD PRO A 117 10.902 12.610 -1.479 1.00 0.31 C ATOM 0 HA PRO A 117 11.538 11.646 1.492 1.00 0.26 H new ATOM 0 HB2 PRO A 117 13.603 13.111 0.434 1.00 0.32 H new ATOM 0 HB3 PRO A 117 13.212 11.527 -0.207 1.00 0.32 H new ATOM 0 HG2 PRO A 117 12.313 14.262 -1.264 1.00 0.40 H new ATOM 0 HG3 PRO A 117 12.947 12.910 -2.182 1.00 0.40 H new ATOM 0 HD2 PRO A 117 10.257 13.305 -2.016 1.00 0.31 H new ATOM 0 HD3 PRO A 117 10.909 11.679 -2.045 1.00 0.31 H new ATOM 1909 N GLU A 118 10.422 14.571 1.570 1.00 0.32 N ATOM 1910 CA GLU A 118 10.213 15.747 2.406 1.00 0.41 C ATOM 1911 C GLU A 118 10.033 15.397 3.886 1.00 0.35 C ATOM 1912 O GLU A 118 10.724 15.962 4.729 1.00 0.51 O ATOM 1913 CB GLU A 118 9.058 16.578 1.836 1.00 0.53 C ATOM 1914 CG GLU A 118 7.725 15.820 1.795 1.00 2.00 C ATOM 1915 CD GLU A 118 6.915 16.232 0.570 1.00 2.58 C ATOM 1916 OE1 GLU A 118 7.312 15.774 -0.525 1.00 3.42 O ATOM 1917 OE2 GLU A 118 5.939 16.993 0.740 1.00 3.17 O ATOM 0 H GLU A 118 9.722 14.465 0.835 1.00 0.32 H new ATOM 0 HA GLU A 118 11.115 16.358 2.380 1.00 0.41 H new ATOM 0 HB2 GLU A 118 8.937 17.479 2.437 1.00 0.53 H new ATOM 0 HB3 GLU A 118 9.315 16.900 0.827 1.00 0.53 H new ATOM 0 HG2 GLU A 118 7.911 14.746 1.771 1.00 2.00 H new ATOM 0 HG3 GLU A 118 7.155 16.025 2.701 1.00 2.00 H new ATOM 1924 N HIS A 119 9.119 14.482 4.223 1.00 0.25 N ATOM 1925 CA HIS A 119 8.969 14.014 5.600 1.00 0.28 C ATOM 1926 C HIS A 119 8.285 12.641 5.666 1.00 0.32 C ATOM 1927 O HIS A 119 7.194 12.506 6.216 1.00 0.44 O ATOM 1928 CB HIS A 119 8.236 15.071 6.448 1.00 0.37 C ATOM 1929 CG HIS A 119 6.850 15.491 6.004 1.00 0.96 C ATOM 1930 ND1 HIS A 119 6.082 14.948 5.007 1.00 2.12 N flip ATOM 1931 CD2 HIS A 119 6.111 16.498 6.587 1.00 2.27 C flip ATOM 1932 CE1 HIS A 119 4.859 15.623 4.989 1.00 2.44 C flip ATOM 1933 NE2 HIS A 119 4.925 16.551 5.956 1.00 2.53 N flip ATOM 0 H HIS A 119 8.473 14.052 3.560 1.00 0.25 H new ATOM 0 HA HIS A 119 9.964 13.878 6.024 1.00 0.28 H new ATOM 0 HB2 HIS A 119 8.161 14.691 7.467 1.00 0.37 H new ATOM 0 HB3 HIS A 119 8.861 15.963 6.486 1.00 0.37 H new ATOM 0 HD2 HIS A 119 6.428 17.130 7.403 1.00 2.27 H new ATOM 0 HE1 HIS A 119 4.026 15.435 4.328 1.00 2.44 H new ATOM 0 HE2 HIS A 119 4.177 17.207 6.182 1.00 2.53 H new ATOM 1941 N PRO A 120 8.888 11.600 5.085 1.00 0.25 N ATOM 1942 CA PRO A 120 8.307 10.270 5.082 1.00 0.23 C ATOM 1943 C PRO A 120 8.604 9.545 6.398 1.00 0.27 C ATOM 1944 O PRO A 120 9.271 10.086 7.279 1.00 0.38 O ATOM 1945 CB PRO A 120 8.972 9.593 3.890 1.00 0.20 C ATOM 1946 CG PRO A 120 10.376 10.186 3.914 1.00 0.22 C ATOM 1947 CD PRO A 120 10.157 11.620 4.385 1.00 0.23 C ATOM 0 HA PRO A 120 7.220 10.271 4.999 1.00 0.23 H new ATOM 0 HB2 PRO A 120 8.988 8.508 3.996 1.00 0.20 H new ATOM 0 HB3 PRO A 120 8.454 9.814 2.957 1.00 0.20 H new ATOM 0 HG2 PRO A 120 11.030 9.638 4.592 1.00 0.22 H new ATOM 0 HG3 PRO A 120 10.840 10.155 2.928 1.00 0.22 H new ATOM 0 HD2 PRO A 120 10.964 11.947 5.041 1.00 0.23 H new ATOM 0 HD3 PRO A 120 10.131 12.312 3.543 1.00 0.23 H new ATOM 1955 N LEU A 121 8.135 8.299 6.522 1.00 0.20 N ATOM 1956 CA LEU A 121 8.267 7.499 7.739 1.00 0.21 C ATOM 1957 C LEU A 121 9.732 7.334 8.122 1.00 0.26 C ATOM 1958 O LEU A 121 10.101 7.476 9.285 1.00 0.42 O ATOM 1959 CB LEU A 121 7.615 6.118 7.542 1.00 0.18 C ATOM 1960 CG LEU A 121 6.376 5.967 8.429 1.00 0.21 C ATOM 1961 CD1 LEU A 121 5.583 4.739 7.994 1.00 0.52 C ATOM 1962 CD2 LEU A 121 6.758 5.813 9.903 1.00 0.47 C ATOM 0 H LEU A 121 7.647 7.814 5.769 1.00 0.20 H new ATOM 0 HA LEU A 121 7.756 8.022 8.547 1.00 0.21 H new ATOM 0 HB2 LEU A 121 7.336 5.989 6.496 1.00 0.18 H new ATOM 0 HB3 LEU A 121 8.335 5.334 7.779 1.00 0.18 H new ATOM 0 HG LEU A 121 5.774 6.869 8.319 1.00 0.21 H new ATOM 0 HD11 LEU A 121 4.701 4.633 8.626 1.00 0.52 H new ATOM 0 HD12 LEU A 121 5.273 4.855 6.955 1.00 0.52 H new ATOM 0 HD13 LEU A 121 6.207 3.850 8.089 1.00 0.52 H new ATOM 0 HD21 LEU A 121 5.855 5.708 10.504 1.00 0.47 H new ATOM 0 HD22 LEU A 121 7.381 4.927 10.027 1.00 0.47 H new ATOM 0 HD23 LEU A 121 7.311 6.694 10.230 1.00 0.47 H new ATOM 1974 N ARG A 122 10.569 7.029 7.132 1.00 0.23 N ATOM 1975 CA ARG A 122 12.002 6.929 7.302 1.00 0.25 C ATOM 1976 C ARG A 122 12.648 7.915 6.351 1.00 0.25 C ATOM 1977 O ARG A 122 12.972 7.565 5.218 1.00 0.27 O ATOM 1978 CB ARG A 122 12.468 5.497 7.033 1.00 0.27 C ATOM 1979 CG ARG A 122 11.923 4.513 8.076 1.00 0.42 C ATOM 1980 CD ARG A 122 12.968 3.453 8.439 1.00 0.70 C ATOM 1981 NE ARG A 122 14.072 4.027 9.220 1.00 0.99 N ATOM 1982 CZ ARG A 122 13.990 4.330 10.518 1.00 1.38 C ATOM 1983 NH1 ARG A 122 15.020 4.939 11.114 1.00 1.73 N ATOM 1984 NH2 ARG A 122 12.884 4.036 11.211 1.00 2.32 N ATOM 0 H ARG A 122 10.258 6.843 6.179 1.00 0.23 H new ATOM 0 HA ARG A 122 12.290 7.169 8.325 1.00 0.25 H new ATOM 0 HB2 ARG A 122 12.142 5.190 6.039 1.00 0.27 H new ATOM 0 HB3 ARG A 122 13.557 5.463 7.036 1.00 0.27 H new ATOM 0 HG2 ARG A 122 11.627 5.057 8.973 1.00 0.42 H new ATOM 0 HG3 ARG A 122 11.028 4.027 7.688 1.00 0.42 H new ATOM 0 HD2 ARG A 122 12.494 2.655 9.010 1.00 0.70 H new ATOM 0 HD3 ARG A 122 13.362 3.003 7.528 1.00 0.70 H new ATOM 0 HE ARG A 122 14.955 4.205 8.742 1.00 0.99 H new ATOM 0 HH11 ARG A 122 15.857 5.167 10.578 1.00 1.73 H new ATOM 0 HH12 ARG A 122 14.969 5.175 12.105 1.00 1.73 H new ATOM 0 HH21 ARG A 122 12.099 3.578 10.748 1.00 2.32 H new ATOM 0 HH22 ARG A 122 12.826 4.269 12.202 1.00 2.32 H new ATOM 1998 N ALA A 123 12.859 9.145 6.826 1.00 0.25 N ATOM 1999 CA ALA A 123 13.576 10.165 6.073 1.00 0.24 C ATOM 2000 C ALA A 123 14.897 9.605 5.546 1.00 0.26 C ATOM 2001 O ALA A 123 15.252 9.864 4.409 1.00 0.28 O ATOM 2002 CB ALA A 123 13.800 11.404 6.943 1.00 0.26 C ATOM 0 H ALA A 123 12.536 9.457 7.742 1.00 0.25 H new ATOM 0 HA ALA A 123 12.975 10.463 5.214 1.00 0.24 H new ATOM 0 HB1 ALA A 123 14.337 12.159 6.369 1.00 0.26 H new ATOM 0 HB2 ALA A 123 12.837 11.805 7.260 1.00 0.26 H new ATOM 0 HB3 ALA A 123 14.386 11.131 7.821 1.00 0.26 H new ATOM 2008 N ASP A 124 15.585 8.795 6.352 1.00 0.29 N ATOM 2009 CA ASP A 124 16.832 8.106 6.026 1.00 0.32 C ATOM 2010 C ASP A 124 16.752 7.307 4.720 1.00 0.32 C ATOM 2011 O ASP A 124 17.509 7.561 3.788 1.00 0.32 O ATOM 2012 CB ASP A 124 17.150 7.209 7.226 1.00 0.48 C ATOM 2013 CG ASP A 124 18.424 6.392 7.057 1.00 1.45 C ATOM 2014 OD1 ASP A 124 19.348 6.897 6.387 1.00 2.63 O ATOM 2015 OD2 ASP A 124 18.445 5.288 7.642 1.00 2.51 O ATOM 0 H ASP A 124 15.269 8.592 7.300 1.00 0.29 H new ATOM 0 HA ASP A 124 17.627 8.830 5.850 1.00 0.32 H new ATOM 0 HB2 ASP A 124 17.242 7.829 8.118 1.00 0.48 H new ATOM 0 HB3 ASP A 124 16.313 6.531 7.394 1.00 0.48 H new ATOM 2020 N LEU A 125 15.798 6.383 4.586 1.00 0.33 N ATOM 2021 CA LEU A 125 15.585 5.678 3.323 1.00 0.33 C ATOM 2022 C LEU A 125 15.370 6.667 2.166 1.00 0.32 C ATOM 2023 O LEU A 125 15.723 6.396 1.019 1.00 0.36 O ATOM 2024 CB LEU A 125 14.389 4.721 3.466 1.00 0.34 C ATOM 2025 CG LEU A 125 14.601 3.572 4.462 1.00 0.50 C ATOM 2026 CD1 LEU A 125 13.365 2.669 4.465 1.00 1.27 C ATOM 2027 CD2 LEU A 125 15.835 2.753 4.101 1.00 1.24 C ATOM 0 H LEU A 125 15.163 6.107 5.335 1.00 0.33 H new ATOM 0 HA LEU A 125 16.476 5.096 3.087 1.00 0.33 H new ATOM 0 HB2 LEU A 125 13.516 5.296 3.776 1.00 0.34 H new ATOM 0 HB3 LEU A 125 14.161 4.298 2.488 1.00 0.34 H new ATOM 0 HG LEU A 125 14.754 3.997 5.454 1.00 0.50 H new ATOM 0 HD11 LEU A 125 13.513 1.852 5.171 1.00 1.27 H new ATOM 0 HD12 LEU A 125 12.491 3.250 4.760 1.00 1.27 H new ATOM 0 HD13 LEU A 125 13.210 2.261 3.466 1.00 1.27 H new ATOM 0 HD21 LEU A 125 15.960 1.946 4.823 1.00 1.24 H new ATOM 0 HD22 LEU A 125 15.713 2.331 3.103 1.00 1.24 H new ATOM 0 HD23 LEU A 125 16.716 3.395 4.118 1.00 1.24 H new ATOM 2039 N ALA A 126 14.779 7.825 2.459 1.00 0.28 N ATOM 2040 CA ALA A 126 14.495 8.870 1.490 1.00 0.26 C ATOM 2041 C ALA A 126 15.744 9.683 1.151 1.00 0.25 C ATOM 2042 O ALA A 126 15.821 10.285 0.085 1.00 0.24 O ATOM 2043 CB ALA A 126 13.401 9.782 2.044 1.00 0.24 C ATOM 0 H ALA A 126 14.478 8.063 3.404 1.00 0.28 H new ATOM 0 HA ALA A 126 14.155 8.401 0.566 1.00 0.26 H new ATOM 0 HB1 ALA A 126 13.183 10.569 1.322 1.00 0.24 H new ATOM 0 HB2 ALA A 126 12.499 9.198 2.228 1.00 0.24 H new ATOM 0 HB3 ALA A 126 13.740 10.231 2.978 1.00 0.24 H new ATOM 2049 N GLU A 127 16.707 9.725 2.061 1.00 0.28 N ATOM 2050 CA GLU A 127 17.990 10.383 1.918 1.00 0.28 C ATOM 2051 C GLU A 127 18.867 9.569 1.000 1.00 0.31 C ATOM 2052 O GLU A 127 19.368 10.109 0.023 1.00 0.37 O ATOM 2053 CB GLU A 127 18.682 10.562 3.266 1.00 0.28 C ATOM 2054 CG GLU A 127 17.864 11.551 4.086 1.00 0.32 C ATOM 2055 CD GLU A 127 18.626 12.863 4.266 1.00 0.80 C ATOM 2056 OE1 GLU A 127 18.955 13.208 5.420 1.00 1.48 O ATOM 2057 OE2 GLU A 127 18.918 13.494 3.220 1.00 2.36 O ATOM 0 H GLU A 127 16.604 9.273 2.970 1.00 0.28 H new ATOM 0 HA GLU A 127 17.821 11.374 1.496 1.00 0.28 H new ATOM 0 HB2 GLU A 127 18.758 9.607 3.786 1.00 0.28 H new ATOM 0 HB3 GLU A 127 19.698 10.931 3.127 1.00 0.28 H new ATOM 0 HG2 GLU A 127 16.912 11.742 3.590 1.00 0.32 H new ATOM 0 HG3 GLU A 127 17.635 11.121 5.061 1.00 0.32 H new ATOM 2064 N GLU A 128 19.038 8.275 1.277 1.00 0.31 N ATOM 2065 CA GLU A 128 19.797 7.421 0.372 1.00 0.33 C ATOM 2066 C GLU A 128 19.149 7.462 -1.009 1.00 0.29 C ATOM 2067 O GLU A 128 19.845 7.481 -2.016 1.00 0.30 O ATOM 2068 CB GLU A 128 19.918 5.986 0.908 1.00 0.42 C ATOM 2069 CG GLU A 128 20.836 5.196 -0.053 1.00 0.57 C ATOM 2070 CD GLU A 128 21.163 3.752 0.339 1.00 1.24 C ATOM 2071 OE1 GLU A 128 20.302 3.094 0.965 1.00 2.15 O ATOM 2072 OE2 GLU A 128 22.263 3.301 -0.070 1.00 2.04 O ATOM 0 H GLU A 128 18.668 7.806 2.104 1.00 0.31 H new ATOM 0 HA GLU A 128 20.817 7.799 0.296 1.00 0.33 H new ATOM 0 HB2 GLU A 128 20.333 5.989 1.916 1.00 0.42 H new ATOM 0 HB3 GLU A 128 18.936 5.517 0.969 1.00 0.42 H new ATOM 0 HG2 GLU A 128 20.368 5.184 -1.037 1.00 0.57 H new ATOM 0 HG3 GLU A 128 21.774 5.742 -0.153 1.00 0.57 H new ATOM 2079 N TYR A 129 17.819 7.537 -1.069 1.00 0.28 N ATOM 2080 CA TYR A 129 17.123 7.654 -2.343 1.00 0.27 C ATOM 2081 C TYR A 129 17.489 8.969 -3.033 1.00 0.27 C ATOM 2082 O TYR A 129 17.895 9.002 -4.190 1.00 0.29 O ATOM 2083 CB TYR A 129 15.618 7.589 -2.075 1.00 0.29 C ATOM 2084 CG TYR A 129 14.729 7.865 -3.270 1.00 0.68 C ATOM 2085 CD1 TYR A 129 14.562 6.877 -4.250 1.00 1.74 C ATOM 2086 CD2 TYR A 129 14.050 9.092 -3.391 1.00 1.92 C ATOM 2087 CE1 TYR A 129 13.710 7.092 -5.346 1.00 2.08 C ATOM 2088 CE2 TYR A 129 13.197 9.322 -4.486 1.00 2.37 C ATOM 2089 CZ TYR A 129 13.016 8.315 -5.464 1.00 1.91 C ATOM 2090 OH TYR A 129 12.186 8.513 -6.526 1.00 2.51 O ATOM 0 H TYR A 129 17.208 7.519 -0.253 1.00 0.28 H new ATOM 0 HA TYR A 129 17.417 6.839 -3.005 1.00 0.27 H new ATOM 0 HB2 TYR A 129 15.378 6.599 -1.687 1.00 0.29 H new ATOM 0 HB3 TYR A 129 15.375 8.306 -1.291 1.00 0.29 H new ATOM 0 HD1 TYR A 129 15.094 5.941 -4.162 1.00 1.74 H new ATOM 0 HD2 TYR A 129 14.184 9.858 -2.642 1.00 1.92 H new ATOM 0 HE1 TYR A 129 13.587 6.324 -6.095 1.00 2.08 H new ATOM 0 HE2 TYR A 129 12.681 10.266 -4.580 1.00 2.37 H new ATOM 0 HH TYR A 129 11.781 9.403 -6.463 1.00 2.51 H new ATOM 2100 N SER A 130 17.303 10.077 -2.328 1.00 0.27 N ATOM 2101 CA SER A 130 17.391 11.423 -2.863 1.00 0.29 C ATOM 2102 C SER A 130 18.815 11.691 -3.352 1.00 0.35 C ATOM 2103 O SER A 130 19.019 12.274 -4.415 1.00 0.58 O ATOM 2104 CB SER A 130 16.909 12.395 -1.774 1.00 0.31 C ATOM 2105 OG SER A 130 17.010 13.739 -2.188 1.00 0.48 O ATOM 0 H SER A 130 17.079 10.059 -1.333 1.00 0.27 H new ATOM 0 HA SER A 130 16.750 11.561 -3.734 1.00 0.29 H new ATOM 0 HB2 SER A 130 15.873 12.170 -1.519 1.00 0.31 H new ATOM 0 HB3 SER A 130 17.499 12.248 -0.869 1.00 0.31 H new ATOM 0 HG SER A 130 16.693 14.327 -1.471 1.00 0.48 H new ATOM 2111 N LYS A 131 19.805 11.221 -2.594 1.00 0.31 N ATOM 2112 CA LYS A 131 21.208 11.301 -2.970 1.00 0.34 C ATOM 2113 C LYS A 131 21.488 10.348 -4.125 1.00 0.33 C ATOM 2114 O LYS A 131 22.203 10.718 -5.052 1.00 0.40 O ATOM 2115 CB LYS A 131 22.120 10.979 -1.772 1.00 0.42 C ATOM 2116 CG LYS A 131 22.453 12.217 -0.926 1.00 0.68 C ATOM 2117 CD LYS A 131 21.271 12.765 -0.118 1.00 0.88 C ATOM 2118 CE LYS A 131 21.722 14.027 0.625 1.00 1.45 C ATOM 2119 NZ LYS A 131 20.685 14.527 1.551 1.00 2.07 N ATOM 0 H LYS A 131 19.649 10.770 -1.693 1.00 0.31 H new ATOM 0 HA LYS A 131 21.424 12.321 -3.289 1.00 0.34 H new ATOM 0 HB2 LYS A 131 21.634 10.234 -1.142 1.00 0.42 H new ATOM 0 HB3 LYS A 131 23.046 10.534 -2.136 1.00 0.42 H new ATOM 0 HG2 LYS A 131 23.262 11.967 -0.240 1.00 0.68 H new ATOM 0 HG3 LYS A 131 22.824 13.003 -1.584 1.00 0.68 H new ATOM 0 HD2 LYS A 131 20.436 12.995 -0.780 1.00 0.88 H new ATOM 0 HD3 LYS A 131 20.919 12.016 0.591 1.00 0.88 H new ATOM 0 HE2 LYS A 131 22.633 13.812 1.183 1.00 1.45 H new ATOM 0 HE3 LYS A 131 21.967 14.805 -0.098 1.00 1.45 H new ATOM 0 HZ1 LYS A 131 21.108 15.212 2.209 1.00 2.07 H new ATOM 0 HZ2 LYS A 131 19.929 14.990 1.008 1.00 2.07 H new ATOM 0 HZ3 LYS A 131 20.287 13.731 2.089 1.00 2.07 H new ATOM 2133 N ASP A 132 20.985 9.116 -4.059 1.00 0.29 N ATOM 2134 CA ASP A 132 21.332 8.098 -5.038 1.00 0.32 C ATOM 2135 C ASP A 132 20.219 7.065 -5.219 1.00 0.29 C ATOM 2136 O ASP A 132 20.248 5.948 -4.690 1.00 0.31 O ATOM 2137 CB ASP A 132 22.644 7.412 -4.661 1.00 0.39 C ATOM 2138 CG ASP A 132 23.149 6.564 -5.832 1.00 0.49 C ATOM 2139 OD1 ASP A 132 24.281 6.044 -5.724 1.00 1.58 O ATOM 2140 OD2 ASP A 132 22.392 6.424 -6.820 1.00 1.78 O ATOM 0 H ASP A 132 20.337 8.803 -3.337 1.00 0.29 H new ATOM 0 HA ASP A 132 21.460 8.605 -5.995 1.00 0.32 H new ATOM 0 HB2 ASP A 132 23.391 8.160 -4.394 1.00 0.39 H new ATOM 0 HB3 ASP A 132 22.496 6.783 -3.783 1.00 0.39 H new ATOM 2145 N ARG A 133 19.262 7.401 -6.084 1.00 0.29 N ATOM 2146 CA ARG A 133 18.183 6.483 -6.413 1.00 0.30 C ATOM 2147 C ARG A 133 18.707 5.178 -6.987 1.00 0.33 C ATOM 2148 O ARG A 133 17.958 4.210 -6.995 1.00 0.37 O ATOM 2149 CB ARG A 133 17.153 7.066 -7.388 1.00 0.37 C ATOM 2150 CG ARG A 133 16.417 8.283 -6.823 1.00 0.51 C ATOM 2151 CD ARG A 133 17.081 9.634 -7.128 1.00 1.20 C ATOM 2152 NE ARG A 133 16.444 10.299 -8.275 1.00 1.46 N ATOM 2153 CZ ARG A 133 15.258 10.920 -8.237 1.00 1.90 C ATOM 2154 NH1 ARG A 133 14.759 11.478 -9.341 1.00 2.57 N ATOM 2155 NH2 ARG A 133 14.567 10.975 -7.098 1.00 3.31 N ATOM 0 H ARG A 133 19.216 8.299 -6.565 1.00 0.29 H new ATOM 0 HA ARG A 133 17.682 6.299 -5.463 1.00 0.30 H new ATOM 0 HB2 ARG A 133 17.656 7.349 -8.313 1.00 0.37 H new ATOM 0 HB3 ARG A 133 16.426 6.295 -7.644 1.00 0.37 H new ATOM 0 HG2 ARG A 133 15.403 8.294 -7.221 1.00 0.51 H new ATOM 0 HG3 ARG A 133 16.334 8.170 -5.742 1.00 0.51 H new ATOM 0 HD2 ARG A 133 17.018 10.278 -6.251 1.00 1.20 H new ATOM 0 HD3 ARG A 133 18.140 9.482 -7.336 1.00 1.20 H new ATOM 0 HE ARG A 133 16.942 10.286 -9.165 1.00 1.46 H new ATOM 0 HH11 ARG A 133 15.281 11.432 -10.216 1.00 2.57 H new ATOM 0 HH12 ARG A 133 13.856 11.950 -9.310 1.00 2.57 H new ATOM 0 HH21 ARG A 133 14.941 10.544 -6.253 1.00 3.31 H new ATOM 0 HH22 ARG A 133 13.664 11.449 -7.072 1.00 3.31 H new ATOM 2169 N LYS A 134 19.938 5.102 -7.498 1.00 0.34 N ATOM 2170 CA LYS A 134 20.432 3.852 -8.050 1.00 0.36 C ATOM 2171 C LYS A 134 20.501 2.788 -6.970 1.00 0.37 C ATOM 2172 O LYS A 134 20.023 1.686 -7.213 1.00 0.39 O ATOM 2173 CB LYS A 134 21.787 4.033 -8.737 1.00 0.41 C ATOM 2174 CG LYS A 134 21.732 5.053 -9.886 1.00 0.52 C ATOM 2175 CD LYS A 134 20.689 4.716 -10.962 1.00 2.01 C ATOM 2176 CE LYS A 134 20.861 3.305 -11.538 1.00 3.46 C ATOM 2177 NZ LYS A 134 22.188 3.123 -12.166 1.00 4.29 N ATOM 0 H LYS A 134 20.596 5.880 -7.538 1.00 0.34 H new ATOM 0 HA LYS A 134 19.729 3.522 -8.814 1.00 0.36 H new ATOM 0 HB2 LYS A 134 22.523 4.358 -8.002 1.00 0.41 H new ATOM 0 HB3 LYS A 134 22.126 3.072 -9.124 1.00 0.41 H new ATOM 0 HG2 LYS A 134 21.512 6.038 -9.475 1.00 0.52 H new ATOM 0 HG3 LYS A 134 22.715 5.115 -10.352 1.00 0.52 H new ATOM 0 HD2 LYS A 134 19.690 4.810 -10.535 1.00 2.01 H new ATOM 0 HD3 LYS A 134 20.760 5.444 -11.770 1.00 2.01 H new ATOM 0 HE2 LYS A 134 20.732 2.570 -10.743 1.00 3.46 H new ATOM 0 HE3 LYS A 134 20.081 3.117 -12.276 1.00 3.46 H new ATOM 0 HZ1 LYS A 134 22.252 2.168 -12.573 1.00 4.29 H new ATOM 0 HZ2 LYS A 134 22.316 3.829 -12.919 1.00 4.29 H new ATOM 0 HZ3 LYS A 134 22.931 3.244 -11.449 1.00 4.29 H new ATOM 2191 N LYS A 135 21.060 3.075 -5.791 1.00 0.38 N ATOM 2192 CA LYS A 135 21.073 2.064 -4.727 1.00 0.40 C ATOM 2193 C LYS A 135 19.673 1.727 -4.255 1.00 0.41 C ATOM 2194 O LYS A 135 19.434 0.582 -3.897 1.00 0.53 O ATOM 2195 CB LYS A 135 21.917 2.461 -3.513 1.00 0.48 C ATOM 2196 CG LYS A 135 23.407 2.368 -3.854 1.00 0.49 C ATOM 2197 CD LYS A 135 24.040 3.754 -3.766 1.00 1.11 C ATOM 2198 CE LYS A 135 24.271 4.197 -2.320 1.00 1.60 C ATOM 2199 NZ LYS A 135 25.402 3.482 -1.696 1.00 2.50 N ATOM 0 H LYS A 135 21.496 3.966 -5.552 1.00 0.38 H new ATOM 0 HA LYS A 135 21.533 1.188 -5.185 1.00 0.40 H new ATOM 0 HB2 LYS A 135 21.669 3.477 -3.205 1.00 0.48 H new ATOM 0 HB3 LYS A 135 21.687 1.808 -2.671 1.00 0.48 H new ATOM 0 HG2 LYS A 135 23.906 1.685 -3.166 1.00 0.49 H new ATOM 0 HG3 LYS A 135 23.536 1.961 -4.857 1.00 0.49 H new ATOM 0 HD2 LYS A 135 24.991 3.751 -4.299 1.00 1.11 H new ATOM 0 HD3 LYS A 135 23.396 4.477 -4.267 1.00 1.11 H new ATOM 0 HE2 LYS A 135 24.463 5.270 -2.296 1.00 1.60 H new ATOM 0 HE3 LYS A 135 23.366 4.022 -1.738 1.00 1.60 H new ATOM 0 HZ1 LYS A 135 25.611 3.904 -0.769 1.00 2.50 H new ATOM 0 HZ2 LYS A 135 25.153 2.480 -1.572 1.00 2.50 H new ATOM 0 HZ3 LYS A 135 26.240 3.557 -2.307 1.00 2.50 H new ATOM 2213 N PHE A 136 18.746 2.679 -4.235 1.00 0.37 N ATOM 2214 CA PHE A 136 17.370 2.362 -3.873 1.00 0.38 C ATOM 2215 C PHE A 136 16.796 1.387 -4.895 1.00 0.37 C ATOM 2216 O PHE A 136 16.128 0.426 -4.534 1.00 0.39 O ATOM 2217 CB PHE A 136 16.533 3.642 -3.795 1.00 0.38 C ATOM 2218 CG PHE A 136 15.041 3.430 -3.987 1.00 0.68 C ATOM 2219 CD1 PHE A 136 14.490 3.533 -5.280 1.00 2.13 C ATOM 2220 CD2 PHE A 136 14.205 3.159 -2.890 1.00 1.64 C ATOM 2221 CE1 PHE A 136 13.108 3.381 -5.473 1.00 2.63 C ATOM 2222 CE2 PHE A 136 12.820 3.007 -3.085 1.00 1.81 C ATOM 2223 CZ PHE A 136 12.271 3.125 -4.375 1.00 1.86 C ATOM 0 H PHE A 136 18.917 3.659 -4.461 1.00 0.37 H new ATOM 0 HA PHE A 136 17.346 1.893 -2.889 1.00 0.38 H new ATOM 0 HB2 PHE A 136 16.699 4.111 -2.825 1.00 0.38 H new ATOM 0 HB3 PHE A 136 16.889 4.341 -4.552 1.00 0.38 H new ATOM 0 HD1 PHE A 136 15.133 3.730 -6.125 1.00 2.13 H new ATOM 0 HD2 PHE A 136 14.625 3.068 -1.899 1.00 1.64 H new ATOM 0 HE1 PHE A 136 12.689 3.461 -6.465 1.00 2.63 H new ATOM 0 HE2 PHE A 136 12.177 2.799 -2.243 1.00 1.81 H new ATOM 0 HZ PHE A 136 11.206 3.019 -4.521 1.00 1.86 H new ATOM 2233 N CYS A 137 17.044 1.638 -6.179 1.00 0.37 N ATOM 2234 CA CYS A 137 16.482 0.853 -7.257 1.00 0.39 C ATOM 2235 C CYS A 137 17.071 -0.556 -7.216 1.00 0.36 C ATOM 2236 O CYS A 137 16.348 -1.530 -7.373 1.00 0.38 O ATOM 2237 CB CYS A 137 16.753 1.526 -8.609 1.00 0.42 C ATOM 2238 SG CYS A 137 15.203 1.679 -9.538 1.00 1.40 S ATOM 0 H CYS A 137 17.646 2.399 -6.494 1.00 0.37 H new ATOM 0 HA CYS A 137 15.401 0.786 -7.133 1.00 0.39 H new ATOM 0 HB2 CYS A 137 17.194 2.511 -8.454 1.00 0.42 H new ATOM 0 HB3 CYS A 137 17.474 0.940 -9.180 1.00 0.42 H new ATOM 0 HG CYS A 137 15.437 2.252 -10.681 1.00 1.40 H new ATOM 2244 N LYS A 138 18.388 -0.670 -7.030 1.00 0.34 N ATOM 2245 CA LYS A 138 19.075 -1.962 -7.010 1.00 0.38 C ATOM 2246 C LYS A 138 18.612 -2.757 -5.801 1.00 0.37 C ATOM 2247 O LYS A 138 18.201 -3.905 -5.941 1.00 0.36 O ATOM 2248 CB LYS A 138 20.605 -1.783 -7.007 1.00 0.53 C ATOM 2249 CG LYS A 138 21.292 -2.333 -8.264 1.00 1.08 C ATOM 2250 CD LYS A 138 20.901 -1.613 -9.563 1.00 0.98 C ATOM 2251 CE LYS A 138 19.869 -2.468 -10.304 1.00 2.42 C ATOM 2252 NZ LYS A 138 19.431 -1.928 -11.603 1.00 3.09 N ATOM 0 H LYS A 138 19.006 0.129 -6.889 1.00 0.34 H new ATOM 0 HA LYS A 138 18.822 -2.512 -7.916 1.00 0.38 H new ATOM 0 HB2 LYS A 138 20.838 -0.723 -6.911 1.00 0.53 H new ATOM 0 HB3 LYS A 138 21.019 -2.281 -6.130 1.00 0.53 H new ATOM 0 HG2 LYS A 138 22.372 -2.263 -8.134 1.00 1.08 H new ATOM 0 HG3 LYS A 138 21.051 -3.391 -8.362 1.00 1.08 H new ATOM 0 HD2 LYS A 138 20.488 -0.629 -9.341 1.00 0.98 H new ATOM 0 HD3 LYS A 138 21.780 -1.455 -10.188 1.00 0.98 H new ATOM 0 HE2 LYS A 138 20.289 -3.461 -10.463 1.00 2.42 H new ATOM 0 HE3 LYS A 138 18.995 -2.591 -9.665 1.00 2.42 H new ATOM 0 HZ1 LYS A 138 18.558 -2.408 -11.902 1.00 3.09 H new ATOM 0 HZ2 LYS A 138 19.252 -0.908 -11.512 1.00 3.09 H new ATOM 0 HZ3 LYS A 138 20.174 -2.087 -12.313 1.00 3.09 H new ATOM 2266 N ASN A 139 18.656 -2.131 -4.625 1.00 0.41 N ATOM 2267 CA ASN A 139 18.146 -2.737 -3.405 1.00 0.44 C ATOM 2268 C ASN A 139 16.748 -3.271 -3.648 1.00 0.40 C ATOM 2269 O ASN A 139 16.501 -4.430 -3.362 1.00 0.45 O ATOM 2270 CB ASN A 139 18.120 -1.752 -2.233 1.00 0.56 C ATOM 2271 CG ASN A 139 19.423 -1.779 -1.453 1.00 0.91 C ATOM 2272 OD1 ASN A 139 19.807 -2.818 -0.932 1.00 1.75 O ATOM 2273 ND2 ASN A 139 20.118 -0.657 -1.360 1.00 0.78 N ATOM 0 H ASN A 139 19.044 -1.197 -4.496 1.00 0.41 H new ATOM 0 HA ASN A 139 18.821 -3.549 -3.137 1.00 0.44 H new ATOM 0 HB2 ASN A 139 17.940 -0.744 -2.607 1.00 0.56 H new ATOM 0 HB3 ASN A 139 17.292 -1.998 -1.568 1.00 0.56 H new ATOM 0 HD21 ASN A 139 20.998 -0.643 -0.844 1.00 0.78 H new ATOM 0 HD22 ASN A 139 19.774 0.194 -1.804 1.00 0.78 H new ATOM 2280 N ALA A 140 15.839 -2.449 -4.173 1.00 0.38 N ATOM 2281 CA ALA A 140 14.464 -2.849 -4.419 1.00 0.37 C ATOM 2282 C ALA A 140 14.396 -4.051 -5.355 1.00 0.34 C ATOM 2283 O ALA A 140 13.575 -4.927 -5.141 1.00 0.37 O ATOM 2284 CB ALA A 140 13.651 -1.683 -4.980 1.00 0.37 C ATOM 0 H ALA A 140 16.042 -1.485 -4.438 1.00 0.38 H new ATOM 0 HA ALA A 140 14.029 -3.143 -3.464 1.00 0.37 H new ATOM 0 HB1 ALA A 140 12.625 -2.006 -5.156 1.00 0.37 H new ATOM 0 HB2 ALA A 140 13.654 -0.860 -4.265 1.00 0.37 H new ATOM 0 HB3 ALA A 140 14.093 -1.350 -5.919 1.00 0.37 H new ATOM 2290 N GLU A 141 15.203 -4.101 -6.409 1.00 0.32 N ATOM 2291 CA GLU A 141 15.252 -5.197 -7.366 1.00 0.29 C ATOM 2292 C GLU A 141 15.546 -6.523 -6.661 1.00 0.27 C ATOM 2293 O GLU A 141 14.925 -7.539 -6.974 1.00 0.33 O ATOM 2294 CB GLU A 141 16.277 -4.812 -8.454 1.00 0.36 C ATOM 2295 CG GLU A 141 16.082 -5.526 -9.795 1.00 0.65 C ATOM 2296 CD GLU A 141 16.805 -4.834 -10.968 1.00 0.84 C ATOM 2297 OE1 GLU A 141 16.467 -5.203 -12.115 1.00 2.04 O ATOM 2298 OE2 GLU A 141 17.656 -3.937 -10.754 1.00 1.35 O ATOM 0 H GLU A 141 15.863 -3.354 -6.627 1.00 0.32 H new ATOM 0 HA GLU A 141 14.288 -5.356 -7.850 1.00 0.29 H new ATOM 0 HB2 GLU A 141 16.225 -3.736 -8.619 1.00 0.36 H new ATOM 0 HB3 GLU A 141 17.279 -5.029 -8.084 1.00 0.36 H new ATOM 0 HG2 GLU A 141 16.444 -6.551 -9.709 1.00 0.65 H new ATOM 0 HG3 GLU A 141 15.016 -5.582 -10.017 1.00 0.65 H new ATOM 2305 N GLU A 142 16.446 -6.520 -5.674 1.00 0.32 N ATOM 2306 CA GLU A 142 16.658 -7.709 -4.857 1.00 0.41 C ATOM 2307 C GLU A 142 15.483 -7.931 -3.913 1.00 0.46 C ATOM 2308 O GLU A 142 14.930 -9.020 -3.900 1.00 0.63 O ATOM 2309 CB GLU A 142 17.962 -7.654 -4.046 1.00 0.55 C ATOM 2310 CG GLU A 142 19.078 -8.470 -4.713 1.00 0.89 C ATOM 2311 CD GLU A 142 20.041 -9.048 -3.670 1.00 1.41 C ATOM 2312 OE1 GLU A 142 19.628 -10.011 -2.973 1.00 2.34 O ATOM 2313 OE2 GLU A 142 21.175 -8.535 -3.580 1.00 1.74 O ATOM 0 H GLU A 142 17.029 -5.720 -5.427 1.00 0.32 H new ATOM 0 HA GLU A 142 16.739 -8.545 -5.552 1.00 0.41 H new ATOM 0 HB2 GLU A 142 18.282 -6.617 -3.941 1.00 0.55 H new ATOM 0 HB3 GLU A 142 17.782 -8.036 -3.041 1.00 0.55 H new ATOM 0 HG2 GLU A 142 18.641 -9.280 -5.296 1.00 0.89 H new ATOM 0 HG3 GLU A 142 19.629 -7.837 -5.409 1.00 0.89 H new ATOM 2320 N PHE A 143 15.127 -6.932 -3.104 1.00 0.43 N ATOM 2321 CA PHE A 143 14.174 -7.001 -1.993 1.00 0.44 C ATOM 2322 C PHE A 143 12.851 -7.572 -2.476 1.00 0.39 C ATOM 2323 O PHE A 143 12.277 -8.478 -1.874 1.00 0.42 O ATOM 2324 CB PHE A 143 13.951 -5.596 -1.401 1.00 0.47 C ATOM 2325 CG PHE A 143 14.318 -5.445 0.059 1.00 1.00 C ATOM 2326 CD1 PHE A 143 13.408 -4.856 0.955 1.00 0.94 C ATOM 2327 CD2 PHE A 143 15.603 -5.810 0.505 1.00 1.98 C ATOM 2328 CE1 PHE A 143 13.792 -4.623 2.288 1.00 1.73 C ATOM 2329 CE2 PHE A 143 15.974 -5.592 1.843 1.00 2.76 C ATOM 2330 CZ PHE A 143 15.069 -4.992 2.734 1.00 2.61 C ATOM 0 H PHE A 143 15.519 -5.997 -3.213 1.00 0.43 H new ATOM 0 HA PHE A 143 14.582 -7.653 -1.220 1.00 0.44 H new ATOM 0 HB2 PHE A 143 14.532 -4.879 -1.981 1.00 0.47 H new ATOM 0 HB3 PHE A 143 12.901 -5.330 -1.524 1.00 0.47 H new ATOM 0 HD1 PHE A 143 12.418 -4.584 0.621 1.00 0.94 H new ATOM 0 HD2 PHE A 143 16.305 -6.258 -0.183 1.00 1.98 H new ATOM 0 HE1 PHE A 143 13.099 -4.157 2.972 1.00 1.73 H new ATOM 0 HE2 PHE A 143 16.955 -5.886 2.186 1.00 2.76 H new ATOM 0 HZ PHE A 143 15.356 -4.815 3.760 1.00 2.61 H new ATOM 2340 N THR A 144 12.397 -7.030 -3.597 1.00 0.35 N ATOM 2341 CA THR A 144 11.261 -7.500 -4.350 1.00 0.38 C ATOM 2342 C THR A 144 11.386 -9.007 -4.573 1.00 0.49 C ATOM 2343 O THR A 144 10.460 -9.753 -4.289 1.00 0.58 O ATOM 2344 CB THR A 144 11.182 -6.695 -5.649 1.00 0.34 C ATOM 2345 OG1 THR A 144 10.843 -5.364 -5.330 1.00 0.36 O ATOM 2346 CG2 THR A 144 10.127 -7.246 -6.587 1.00 0.36 C ATOM 0 H THR A 144 12.837 -6.212 -4.019 1.00 0.35 H new ATOM 0 HA THR A 144 10.326 -7.347 -3.810 1.00 0.38 H new ATOM 0 HB THR A 144 12.149 -6.754 -6.148 1.00 0.34 H new ATOM 0 HG1 THR A 144 11.661 -4.842 -5.192 1.00 0.36 H new ATOM 0 HG21 THR A 144 10.102 -6.648 -7.498 1.00 0.36 H new ATOM 0 HG22 THR A 144 10.367 -8.279 -6.838 1.00 0.36 H new ATOM 0 HG23 THR A 144 9.152 -7.208 -6.101 1.00 0.36 H new ATOM 2354 N LYS A 145 12.529 -9.488 -5.052 1.00 0.52 N ATOM 2355 CA LYS A 145 12.719 -10.925 -5.216 1.00 0.61 C ATOM 2356 C LYS A 145 12.896 -11.695 -3.894 1.00 0.63 C ATOM 2357 O LYS A 145 12.607 -12.888 -3.871 1.00 0.81 O ATOM 2358 CB LYS A 145 13.872 -11.170 -6.196 1.00 0.69 C ATOM 2359 CG LYS A 145 13.501 -12.286 -7.182 1.00 1.92 C ATOM 2360 CD LYS A 145 14.461 -12.290 -8.373 1.00 2.82 C ATOM 2361 CE LYS A 145 15.860 -12.749 -7.949 1.00 2.52 C ATOM 2362 NZ LYS A 145 16.922 -11.886 -8.511 1.00 3.75 N ATOM 0 H LYS A 145 13.326 -8.915 -5.329 1.00 0.52 H new ATOM 0 HA LYS A 145 11.797 -11.332 -5.631 1.00 0.61 H new ATOM 0 HB2 LYS A 145 14.097 -10.253 -6.741 1.00 0.69 H new ATOM 0 HB3 LYS A 145 14.773 -11.444 -5.648 1.00 0.69 H new ATOM 0 HG2 LYS A 145 13.535 -13.251 -6.677 1.00 1.92 H new ATOM 0 HG3 LYS A 145 12.478 -12.145 -7.532 1.00 1.92 H new ATOM 0 HD2 LYS A 145 14.078 -12.950 -9.151 1.00 2.82 H new ATOM 0 HD3 LYS A 145 14.517 -11.290 -8.803 1.00 2.82 H new ATOM 0 HE2 LYS A 145 15.928 -12.745 -6.861 1.00 2.52 H new ATOM 0 HE3 LYS A 145 16.018 -13.777 -8.275 1.00 2.52 H new ATOM 0 HZ1 LYS A 145 17.852 -12.232 -8.199 1.00 3.75 H new ATOM 0 HZ2 LYS A 145 16.874 -11.909 -9.550 1.00 3.75 H new ATOM 0 HZ3 LYS A 145 16.787 -10.909 -8.180 1.00 3.75 H new ATOM 2376 N LYS A 146 13.393 -11.083 -2.807 1.00 0.50 N ATOM 2377 CA LYS A 146 13.575 -11.754 -1.517 1.00 0.53 C ATOM 2378 C LYS A 146 12.214 -12.088 -0.913 1.00 0.52 C ATOM 2379 O LYS A 146 11.929 -13.241 -0.607 1.00 0.57 O ATOM 2380 CB LYS A 146 14.353 -10.882 -0.504 1.00 0.60 C ATOM 2381 CG LYS A 146 15.749 -10.401 -0.910 1.00 0.83 C ATOM 2382 CD LYS A 146 16.749 -11.517 -1.227 1.00 1.69 C ATOM 2383 CE LYS A 146 17.965 -11.399 -0.296 1.00 1.78 C ATOM 2384 NZ LYS A 146 19.191 -11.953 -0.907 1.00 2.89 N ATOM 0 H LYS A 146 13.680 -10.104 -2.802 1.00 0.50 H new ATOM 0 HA LYS A 146 14.153 -12.658 -1.709 1.00 0.53 H new ATOM 0 HB2 LYS A 146 13.747 -10.004 -0.281 1.00 0.60 H new ATOM 0 HB3 LYS A 146 14.449 -11.448 0.423 1.00 0.60 H new ATOM 0 HG2 LYS A 146 15.655 -9.758 -1.785 1.00 0.83 H new ATOM 0 HG3 LYS A 146 16.154 -9.788 -0.105 1.00 0.83 H new ATOM 0 HD2 LYS A 146 16.275 -12.490 -1.101 1.00 1.69 H new ATOM 0 HD3 LYS A 146 17.067 -11.450 -2.267 1.00 1.69 H new ATOM 0 HE2 LYS A 146 18.128 -10.351 -0.045 1.00 1.78 H new ATOM 0 HE3 LYS A 146 17.758 -11.922 0.638 1.00 1.78 H new ATOM 0 HZ1 LYS A 146 19.947 -11.992 -0.194 1.00 2.89 H new ATOM 0 HZ2 LYS A 146 18.999 -12.912 -1.262 1.00 2.89 H new ATOM 0 HZ3 LYS A 146 19.491 -11.345 -1.696 1.00 2.89 H new ATOM 2398 N TYR A 147 11.424 -11.048 -0.659 1.00 0.48 N ATOM 2399 CA TYR A 147 10.153 -11.106 0.044 1.00 0.47 C ATOM 2400 C TYR A 147 9.013 -10.557 -0.803 1.00 0.41 C ATOM 2401 O TYR A 147 7.865 -10.866 -0.510 1.00 0.46 O ATOM 2402 CB TYR A 147 10.228 -10.295 1.340 1.00 0.53 C ATOM 2403 CG TYR A 147 10.357 -11.182 2.550 1.00 0.63 C ATOM 2404 CD1 TYR A 147 9.225 -11.489 3.327 1.00 2.18 C ATOM 2405 CD2 TYR A 147 11.588 -11.797 2.821 1.00 1.51 C ATOM 2406 CE1 TYR A 147 9.331 -12.399 4.388 1.00 2.27 C ATOM 2407 CE2 TYR A 147 11.697 -12.720 3.871 1.00 1.51 C ATOM 2408 CZ TYR A 147 10.569 -13.020 4.668 1.00 0.86 C ATOM 2409 OH TYR A 147 10.654 -13.906 5.699 1.00 1.02 O ATOM 0 H TYR A 147 11.666 -10.102 -0.952 1.00 0.48 H new ATOM 0 HA TYR A 147 9.956 -12.156 0.262 1.00 0.47 H new ATOM 0 HB2 TYR A 147 11.080 -9.616 1.295 1.00 0.53 H new ATOM 0 HB3 TYR A 147 9.334 -9.679 1.435 1.00 0.53 H new ATOM 0 HD1 TYR A 147 8.275 -11.024 3.106 1.00 2.18 H new ATOM 0 HD2 TYR A 147 12.453 -11.559 2.220 1.00 1.51 H new ATOM 0 HE1 TYR A 147 8.465 -12.626 4.992 1.00 2.27 H new ATOM 0 HE2 TYR A 147 12.643 -13.202 4.071 1.00 1.51 H new ATOM 0 HH TYR A 147 11.570 -14.247 5.762 1.00 1.02 H new ATOM 2419 N GLY A 148 9.298 -9.666 -1.756 1.00 0.35 N ATOM 2420 CA GLY A 148 8.266 -9.022 -2.550 1.00 0.34 C ATOM 2421 C GLY A 148 7.388 -10.051 -3.244 1.00 0.34 C ATOM 2422 O GLY A 148 7.801 -11.168 -3.552 1.00 0.38 O ATOM 0 H GLY A 148 10.247 -9.377 -1.993 1.00 0.35 H new ATOM 0 HA2 GLY A 148 7.652 -8.388 -1.910 1.00 0.34 H new ATOM 0 HA3 GLY A 148 8.727 -8.372 -3.294 1.00 0.34 H new ATOM 2426 N GLU A 149 6.131 -9.675 -3.441 1.00 0.36 N ATOM 2427 CA GLU A 149 5.123 -10.634 -3.817 1.00 0.41 C ATOM 2428 C GLU A 149 5.260 -11.004 -5.284 1.00 0.46 C ATOM 2429 O GLU A 149 5.855 -10.286 -6.087 1.00 0.48 O ATOM 2430 CB GLU A 149 3.744 -10.053 -3.499 1.00 0.49 C ATOM 2431 CG GLU A 149 2.650 -11.110 -3.345 1.00 0.80 C ATOM 2432 CD GLU A 149 3.078 -12.179 -2.346 1.00 0.78 C ATOM 2433 OE1 GLU A 149 2.915 -11.944 -1.125 1.00 2.75 O ATOM 2434 OE2 GLU A 149 3.624 -13.188 -2.842 1.00 1.58 O ATOM 0 H GLU A 149 5.795 -8.717 -3.345 1.00 0.36 H new ATOM 0 HA GLU A 149 5.251 -11.554 -3.247 1.00 0.41 H new ATOM 0 HB2 GLU A 149 3.808 -9.473 -2.578 1.00 0.49 H new ATOM 0 HB3 GLU A 149 3.459 -9.362 -4.292 1.00 0.49 H new ATOM 0 HG2 GLU A 149 1.726 -10.639 -3.009 1.00 0.80 H new ATOM 0 HG3 GLU A 149 2.441 -11.569 -4.311 1.00 0.80 H new ATOM 2441 N LYS A 150 4.695 -12.142 -5.652 1.00 0.50 N ATOM 2442 CA LYS A 150 4.862 -12.661 -6.999 1.00 0.48 C ATOM 2443 C LYS A 150 3.888 -11.939 -7.920 1.00 0.43 C ATOM 2444 O LYS A 150 2.780 -12.413 -8.161 1.00 0.50 O ATOM 2445 CB LYS A 150 4.641 -14.174 -6.998 1.00 0.70 C ATOM 2446 CG LYS A 150 5.583 -14.881 -6.016 1.00 1.33 C ATOM 2447 CD LYS A 150 7.054 -14.865 -6.458 1.00 2.72 C ATOM 2448 CE LYS A 150 7.611 -16.286 -6.312 1.00 3.59 C ATOM 2449 NZ LYS A 150 9.088 -16.332 -6.368 1.00 5.06 N ATOM 0 H LYS A 150 4.120 -12.721 -5.041 1.00 0.50 H new ATOM 0 HA LYS A 150 5.874 -12.483 -7.362 1.00 0.48 H new ATOM 0 HB2 LYS A 150 3.607 -14.391 -6.731 1.00 0.70 H new ATOM 0 HB3 LYS A 150 4.800 -14.566 -8.002 1.00 0.70 H new ATOM 0 HG2 LYS A 150 5.500 -14.405 -5.039 1.00 1.33 H new ATOM 0 HG3 LYS A 150 5.260 -15.915 -5.895 1.00 1.33 H new ATOM 0 HD2 LYS A 150 7.137 -14.528 -7.491 1.00 2.72 H new ATOM 0 HD3 LYS A 150 7.627 -14.167 -5.848 1.00 2.72 H new ATOM 0 HE2 LYS A 150 7.275 -16.707 -5.365 1.00 3.59 H new ATOM 0 HE3 LYS A 150 7.202 -16.914 -7.103 1.00 3.59 H new ATOM 0 HZ1 LYS A 150 9.409 -17.316 -6.264 1.00 5.06 H new ATOM 0 HZ2 LYS A 150 9.413 -15.957 -7.282 1.00 5.06 H new ATOM 0 HZ3 LYS A 150 9.483 -15.756 -5.597 1.00 5.06 H new ATOM 2463 N ARG A 151 4.280 -10.761 -8.406 1.00 0.44 N ATOM 2464 CA ARG A 151 3.403 -9.961 -9.244 1.00 0.46 C ATOM 2465 C ARG A 151 3.034 -10.725 -10.506 1.00 0.57 C ATOM 2466 O ARG A 151 3.870 -11.455 -11.044 1.00 0.77 O ATOM 2467 CB ARG A 151 4.035 -8.604 -9.552 1.00 0.61 C ATOM 2468 CG ARG A 151 5.295 -8.646 -10.410 1.00 0.99 C ATOM 2469 CD ARG A 151 5.033 -8.564 -11.913 1.00 1.29 C ATOM 2470 NE ARG A 151 5.790 -9.593 -12.634 1.00 1.38 N ATOM 2471 CZ ARG A 151 6.176 -9.496 -13.909 1.00 2.13 C ATOM 2472 NH1 ARG A 151 7.171 -10.260 -14.355 1.00 2.67 N ATOM 2473 NH2 ARG A 151 5.573 -8.629 -14.720 1.00 3.33 N ATOM 0 H ARG A 151 5.195 -10.346 -8.232 1.00 0.44 H new ATOM 0 HA ARG A 151 2.479 -9.764 -8.701 1.00 0.46 H new ATOM 0 HB2 ARG A 151 3.294 -7.984 -10.056 1.00 0.61 H new ATOM 0 HB3 ARG A 151 4.275 -8.112 -8.609 1.00 0.61 H new ATOM 0 HG2 ARG A 151 5.946 -7.821 -10.121 1.00 0.99 H new ATOM 0 HG3 ARG A 151 5.836 -9.568 -10.197 1.00 0.99 H new ATOM 0 HD2 ARG A 151 3.968 -8.688 -12.108 1.00 1.29 H new ATOM 0 HD3 ARG A 151 5.312 -7.577 -12.281 1.00 1.29 H new ATOM 0 HE ARG A 151 6.039 -10.442 -12.126 1.00 1.38 H new ATOM 0 HH11 ARG A 151 7.634 -10.915 -13.724 1.00 2.67 H new ATOM 0 HH12 ARG A 151 7.471 -10.191 -15.328 1.00 2.67 H new ATOM 0 HH21 ARG A 151 4.818 -8.041 -14.367 1.00 3.33 H new ATOM 0 HH22 ARG A 151 5.866 -8.553 -15.694 1.00 3.33 H new