USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 909 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 71 MET CE :methyl -124:sc= 0 (180deg=-0.0289) USER MOD Set 1.2: A 123 LYS NZ :NH3+ -131:sc= -0.0782 (180deg=-1.49!) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.408 X(o=-0.2,f=-0.038) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.61 X(o=-0.2,f=-0.038) USER MOD Set 3.1: A 17 SER OG : rot 79:sc=-0.00696 USER MOD Set 3.2: A 39 HIS : no HE2:sc= -2.59 X(o=-2.6,f=-3.1) USER MOD Single : A 16 TYR OH : rot 0:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= 0.657 (180deg=0.199) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= -0.117 (180deg=-0.508) USER MOD Single : A 20 CYS SG : rot 180:sc= -0.193 USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.211 (180deg=-0.878) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 137:sc= -0.425 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 90:sc= -0.923 USER MOD Single : A 60 ASN : amide:sc= -3.88! C(o=-3.9!,f=-6.5!) USER MOD Single : A 70 ASN : amide:sc= -0.0444 X(o=-0.044,f=0) USER MOD Single : A 73 CYS SG : rot 24:sc= 0.213 USER MOD Single : A 74 THR OG1 : rot 5:sc= 0.372 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.489 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.438 K(o=0.44,f=-8.2!) USER MOD Single : A 80 ASN : amide:sc= -1.98 K(o=-2,f=-5!) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -1.76 K(o=-1.8,f=-3!) USER MOD Single : A 94 LYS NZ :NH3+ 165:sc=-0.00999 (180deg=-0.144) USER MOD Single : A 95 ASN : amide:sc= -0.797 K(o=-0.8,f=-4.9!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.312 USER MOD Single : A 109 SER OG : rot 180:sc= -0.319 USER MOD Single : A 116 HIS : no HE2:sc= -4.61! C(o=-4.6!,f=-5.9!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 14 1.151 6.120 -12.132 1.00 0.00 N ATOM 97 CA ALA A 14 0.592 6.643 -10.892 1.00 0.00 C ATOM 98 C ALA A 14 1.152 8.026 -10.578 1.00 0.00 C ATOM 99 O ALA A 14 2.337 8.289 -10.784 1.00 0.00 O ATOM 100 CB ALA A 14 0.870 5.685 -9.743 1.00 0.00 C ATOM 0 HA ALA A 14 -0.486 6.737 -11.019 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.447 6.088 -8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.416 4.718 -9.958 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.947 5.562 -9.624 1.00 0.00 H new ATOM 106 N PHE A 15 0.292 8.907 -10.078 1.00 0.00 N ATOM 107 CA PHE A 15 0.700 10.265 -9.737 1.00 0.00 C ATOM 108 C PHE A 15 1.851 10.251 -8.735 1.00 0.00 C ATOM 109 O PHE A 15 2.800 11.026 -8.852 1.00 0.00 O ATOM 110 CB PHE A 15 -0.482 11.047 -9.162 1.00 0.00 C ATOM 111 CG PHE A 15 -0.960 10.523 -7.838 1.00 0.00 C ATOM 112 CD1 PHE A 15 -1.914 9.520 -7.778 1.00 0.00 C ATOM 113 CD2 PHE A 15 -0.455 11.034 -6.653 1.00 0.00 C ATOM 114 CE1 PHE A 15 -2.356 9.037 -6.561 1.00 0.00 C ATOM 115 CE2 PHE A 15 -0.893 10.554 -5.433 1.00 0.00 C ATOM 116 CZ PHE A 15 -1.844 9.554 -5.387 1.00 0.00 C ATOM 0 H PHE A 15 -0.692 8.705 -9.900 1.00 0.00 H new ATOM 0 HA PHE A 15 1.041 10.755 -10.649 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.195 12.092 -9.048 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.307 11.019 -9.874 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.317 9.111 -8.693 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.289 11.816 -6.683 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.101 8.256 -6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.492 10.961 -4.517 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.187 9.177 -4.435 1.00 0.00 H new ATOM 126 N TYR A 16 1.758 9.365 -7.750 1.00 0.00 N ATOM 127 CA TYR A 16 2.789 9.251 -6.725 1.00 0.00 C ATOM 128 C TYR A 16 3.549 7.936 -6.860 1.00 0.00 C ATOM 129 O TYR A 16 3.001 6.861 -6.617 1.00 0.00 O ATOM 130 CB TYR A 16 2.166 9.352 -5.331 1.00 0.00 C ATOM 131 CG TYR A 16 3.176 9.587 -4.231 1.00 0.00 C ATOM 132 CD1 TYR A 16 3.736 10.843 -4.033 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.570 8.554 -3.390 1.00 0.00 C ATOM 134 CE1 TYR A 16 4.660 11.062 -3.030 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.492 8.764 -2.383 1.00 0.00 C ATOM 136 CZ TYR A 16 5.035 10.020 -2.207 1.00 0.00 C ATOM 137 OH TYR A 16 5.954 10.235 -1.206 1.00 0.00 O ATOM 0 H TYR A 16 0.980 8.715 -7.639 1.00 0.00 H new ATOM 0 HA TYR A 16 3.493 10.072 -6.862 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.440 10.165 -5.325 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.619 8.433 -5.120 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.444 11.662 -4.674 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.148 7.569 -3.526 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.087 12.044 -2.891 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.786 7.950 -1.737 1.00 0.00 H new ATOM 0 HH TYR A 16 6.237 11.173 -1.218 1.00 0.00 H new ATOM 147 N SER A 17 4.817 8.030 -7.250 1.00 0.00 N ATOM 148 CA SER A 17 5.653 6.848 -7.421 1.00 0.00 C ATOM 149 C SER A 17 7.003 7.034 -6.735 1.00 0.00 C ATOM 150 O SER A 17 7.768 7.936 -7.078 1.00 0.00 O ATOM 151 CB SER A 17 5.860 6.555 -8.909 1.00 0.00 C ATOM 152 OG SER A 17 4.621 6.357 -9.567 1.00 0.00 O ATOM 0 H SER A 17 5.287 8.912 -7.453 1.00 0.00 H new ATOM 0 HA SER A 17 5.144 6.002 -6.959 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.394 7.383 -9.375 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.483 5.668 -9.025 1.00 0.00 H new ATOM 0 HG SER A 17 4.206 7.225 -9.751 1.00 0.00 H new ATOM 158 N LYS A 18 7.290 6.173 -5.764 1.00 0.00 N ATOM 159 CA LYS A 18 8.547 6.239 -5.029 1.00 0.00 C ATOM 160 C LYS A 18 8.919 4.872 -4.463 1.00 0.00 C ATOM 161 O LYS A 18 8.106 4.218 -3.808 1.00 0.00 O ATOM 162 CB LYS A 18 8.446 7.262 -3.896 1.00 0.00 C ATOM 163 CG LYS A 18 9.778 7.571 -3.234 1.00 0.00 C ATOM 164 CD LYS A 18 10.656 8.433 -4.125 1.00 0.00 C ATOM 165 CE LYS A 18 12.133 8.164 -3.880 1.00 0.00 C ATOM 166 NZ LYS A 18 12.967 9.371 -4.136 1.00 0.00 N ATOM 0 H LYS A 18 6.668 5.421 -5.468 1.00 0.00 H new ATOM 0 HA LYS A 18 9.328 6.550 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.022 8.186 -4.289 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.753 6.889 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.605 8.083 -2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.295 6.640 -3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.418 8.238 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.441 9.486 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.276 7.835 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.465 7.350 -4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.944 9.080 -4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.582 9.893 -4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.958 9.984 -3.296 1.00 0.00 H new ATOM 180 N LYS A 19 10.151 4.447 -4.717 1.00 0.00 N ATOM 181 CA LYS A 19 10.632 3.159 -4.230 1.00 0.00 C ATOM 182 C LYS A 19 10.614 3.112 -2.706 1.00 0.00 C ATOM 183 O LYS A 19 10.979 4.083 -2.041 1.00 0.00 O ATOM 184 CB LYS A 19 12.050 2.895 -4.742 1.00 0.00 C ATOM 185 CG LYS A 19 12.311 1.439 -5.085 1.00 0.00 C ATOM 186 CD LYS A 19 12.586 0.613 -3.839 1.00 0.00 C ATOM 187 CE LYS A 19 14.070 0.582 -3.507 1.00 0.00 C ATOM 188 NZ LYS A 19 14.856 -0.140 -4.546 1.00 0.00 N ATOM 0 H LYS A 19 10.836 4.976 -5.258 1.00 0.00 H new ATOM 0 HA LYS A 19 9.965 2.384 -4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.227 3.506 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.766 3.215 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.450 1.028 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.162 1.371 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.032 1.028 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.224 -0.404 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.443 1.602 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.216 0.099 -2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.731 -0.510 -4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.292 -0.929 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.094 0.514 -5.318 1.00 0.00 H new ATOM 202 N CYS A 20 10.188 1.979 -2.159 1.00 0.00 N ATOM 203 CA CYS A 20 10.123 1.806 -0.712 1.00 0.00 C ATOM 204 C CYS A 20 10.086 0.327 -0.342 1.00 0.00 C ATOM 205 O CYS A 20 9.801 -0.527 -1.182 1.00 0.00 O ATOM 206 CB CYS A 20 8.892 2.516 -0.147 1.00 0.00 C ATOM 207 SG CYS A 20 7.334 2.020 -0.919 1.00 0.00 S ATOM 0 H CYS A 20 9.883 1.167 -2.695 1.00 0.00 H new ATOM 0 HA CYS A 20 11.020 2.248 -0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.833 2.321 0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.019 3.592 -0.268 1.00 0.00 H new ATOM 0 HG CYS A 20 6.352 2.673 -0.373 1.00 0.00 H new ATOM 213 N LYS A 21 10.376 0.030 0.920 1.00 0.00 N ATOM 214 CA LYS A 21 10.377 -1.346 1.402 1.00 0.00 C ATOM 215 C LYS A 21 9.024 -1.712 2.004 1.00 0.00 C ATOM 216 O LYS A 21 8.136 -0.867 2.121 1.00 0.00 O ATOM 217 CB LYS A 21 11.480 -1.543 2.444 1.00 0.00 C ATOM 218 CG LYS A 21 12.811 -1.967 1.847 1.00 0.00 C ATOM 219 CD LYS A 21 13.673 -0.765 1.497 1.00 0.00 C ATOM 220 CE LYS A 21 13.422 -0.296 0.072 1.00 0.00 C ATOM 221 NZ LYS A 21 13.986 1.061 -0.173 1.00 0.00 N ATOM 0 H LYS A 21 10.614 0.725 1.628 1.00 0.00 H new ATOM 0 HA LYS A 21 10.567 -2.002 0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.618 -0.613 2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.158 -2.295 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.342 -2.603 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.636 -2.563 0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.464 0.049 2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.725 -1.023 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.865 -1.005 -0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.350 -0.284 -0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.524 1.485 -1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.820 1.661 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.009 0.986 -0.347 1.00 0.00 H new ATOM 235 N LEU A 22 8.874 -2.976 2.385 1.00 0.00 N ATOM 236 CA LEU A 22 7.629 -3.453 2.977 1.00 0.00 C ATOM 237 C LEU A 22 7.901 -4.530 4.023 1.00 0.00 C ATOM 238 O LEU A 22 8.570 -5.525 3.744 1.00 0.00 O ATOM 239 CB LEU A 22 6.703 -4.003 1.891 1.00 0.00 C ATOM 240 CG LEU A 22 5.756 -2.993 1.242 1.00 0.00 C ATOM 241 CD1 LEU A 22 5.122 -3.584 -0.008 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.685 -2.554 2.229 1.00 0.00 C ATOM 0 H LEU A 22 9.598 -3.688 2.295 1.00 0.00 H new ATOM 0 HA LEU A 22 7.142 -2.610 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.318 -4.449 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.105 -4.806 2.323 1.00 0.00 H new ATOM 0 HG LEU A 22 6.334 -2.116 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.451 -2.851 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.902 -3.847 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.558 -4.478 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.021 -1.835 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.109 -3.422 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.157 -2.090 3.095 1.00 0.00 H new ATOM 254 N PHE A 23 7.376 -4.326 5.226 1.00 0.00 N ATOM 255 CA PHE A 23 7.561 -5.280 6.314 1.00 0.00 C ATOM 256 C PHE A 23 6.244 -5.543 7.037 1.00 0.00 C ATOM 257 O PHE A 23 5.446 -4.629 7.248 1.00 0.00 O ATOM 258 CB PHE A 23 8.605 -4.759 7.305 1.00 0.00 C ATOM 259 CG PHE A 23 9.893 -4.343 6.655 1.00 0.00 C ATOM 260 CD1 PHE A 23 10.045 -3.065 6.142 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.953 -5.230 6.557 1.00 0.00 C ATOM 262 CE1 PHE A 23 11.229 -2.680 5.543 1.00 0.00 C ATOM 263 CE2 PHE A 23 12.140 -4.851 5.959 1.00 0.00 C ATOM 264 CZ PHE A 23 12.279 -3.573 5.453 1.00 0.00 C ATOM 0 H PHE A 23 6.819 -3.508 5.473 1.00 0.00 H new ATOM 0 HA PHE A 23 7.913 -6.218 5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.189 -3.909 7.845 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.813 -5.534 8.042 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.228 -2.362 6.211 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.850 -6.230 6.953 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.334 -1.681 5.145 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.958 -5.553 5.887 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.206 -3.273 4.988 1.00 0.00 H new ATOM 274 N TYR A 24 6.022 -6.797 7.412 1.00 0.00 N ATOM 275 CA TYR A 24 4.801 -7.183 8.109 1.00 0.00 C ATOM 276 C TYR A 24 5.122 -7.861 9.437 1.00 0.00 C ATOM 277 O TYR A 24 6.109 -8.586 9.555 1.00 0.00 O ATOM 278 CB TYR A 24 3.964 -8.119 7.235 1.00 0.00 C ATOM 279 CG TYR A 24 4.685 -9.390 6.846 1.00 0.00 C ATOM 280 CD1 TYR A 24 4.620 -10.522 7.650 1.00 0.00 C ATOM 281 CD2 TYR A 24 5.431 -9.459 5.677 1.00 0.00 C ATOM 282 CE1 TYR A 24 5.277 -11.685 7.299 1.00 0.00 C ATOM 283 CE2 TYR A 24 6.090 -10.619 5.318 1.00 0.00 C ATOM 284 CZ TYR A 24 6.011 -11.729 6.132 1.00 0.00 C ATOM 285 OH TYR A 24 6.667 -12.886 5.779 1.00 0.00 O ATOM 0 H TYR A 24 6.672 -7.565 7.245 1.00 0.00 H new ATOM 0 HA TYR A 24 4.229 -6.278 8.313 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.049 -8.379 7.768 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.666 -7.589 6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.046 -10.492 8.564 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.497 -8.591 5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.216 -12.556 7.935 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.664 -10.656 4.404 1.00 0.00 H new ATOM 0 HH TYR A 24 7.136 -12.750 4.929 1.00 0.00 H new ATOM 295 N LYS A 25 4.279 -7.619 10.436 1.00 0.00 N ATOM 296 CA LYS A 25 4.469 -8.207 11.757 1.00 0.00 C ATOM 297 C LYS A 25 3.815 -9.582 11.840 1.00 0.00 C ATOM 298 O LYS A 25 2.589 -9.699 11.852 1.00 0.00 O ATOM 299 CB LYS A 25 3.888 -7.288 12.834 1.00 0.00 C ATOM 300 CG LYS A 25 4.015 -7.845 14.241 1.00 0.00 C ATOM 301 CD LYS A 25 3.879 -6.752 15.288 1.00 0.00 C ATOM 302 CE LYS A 25 3.775 -7.333 16.690 1.00 0.00 C ATOM 303 NZ LYS A 25 2.363 -7.616 17.069 1.00 0.00 N ATOM 0 H LYS A 25 3.458 -7.020 10.356 1.00 0.00 H new ATOM 0 HA LYS A 25 5.540 -8.323 11.925 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.393 -6.323 12.787 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.835 -7.108 12.617 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.249 -8.603 14.404 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.981 -8.338 14.352 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.739 -6.084 15.232 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.995 -6.151 15.075 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.358 -8.253 16.746 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.210 -6.635 17.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.334 -8.011 18.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.812 -6.734 17.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.955 -8.301 16.401 1.00 0.00 H new ATOM 317 N LYS A 26 4.640 -10.622 11.898 1.00 0.00 N ATOM 318 CA LYS A 26 4.143 -11.990 11.983 1.00 0.00 C ATOM 319 C LYS A 26 4.898 -12.778 13.049 1.00 0.00 C ATOM 320 O LYS A 26 6.124 -12.890 13.000 1.00 0.00 O ATOM 321 CB LYS A 26 4.276 -12.688 10.628 1.00 0.00 C ATOM 322 CG LYS A 26 4.016 -14.183 10.685 1.00 0.00 C ATOM 323 CD LYS A 26 3.920 -14.787 9.294 1.00 0.00 C ATOM 324 CE LYS A 26 4.112 -16.295 9.326 1.00 0.00 C ATOM 325 NZ LYS A 26 2.861 -17.006 9.710 1.00 0.00 N ATOM 0 H LYS A 26 5.657 -10.543 11.888 1.00 0.00 H new ATOM 0 HA LYS A 26 3.090 -11.951 12.263 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.579 -12.233 9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.279 -12.517 10.238 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.817 -14.671 11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.090 -14.372 11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.948 -14.552 8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.674 -14.337 8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.439 -16.640 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.903 -16.545 10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.034 -18.032 9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.562 -16.696 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.112 -16.788 9.022 1.00 0.00 H new ATOM 339 N ASP A 27 4.160 -13.324 14.009 1.00 0.00 N ATOM 340 CA ASP A 27 4.760 -14.104 15.084 1.00 0.00 C ATOM 341 C ASP A 27 5.718 -13.249 15.908 1.00 0.00 C ATOM 342 O ASP A 27 6.796 -13.700 16.291 1.00 0.00 O ATOM 343 CB ASP A 27 5.500 -15.315 14.514 1.00 0.00 C ATOM 344 CG ASP A 27 5.899 -16.309 15.587 1.00 0.00 C ATOM 345 OD1 ASP A 27 4.999 -16.828 16.280 1.00 0.00 O ATOM 346 OD2 ASP A 27 7.112 -16.568 15.734 1.00 0.00 O ATOM 0 H ASP A 27 3.145 -13.241 14.064 1.00 0.00 H new ATOM 0 HA ASP A 27 3.959 -14.452 15.736 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.865 -15.812 13.780 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.392 -14.977 13.987 1.00 0.00 H new ATOM 351 N ASN A 28 5.316 -12.010 16.174 1.00 0.00 N ATOM 352 CA ASN A 28 6.140 -11.090 16.950 1.00 0.00 C ATOM 353 C ASN A 28 7.498 -10.883 16.287 1.00 0.00 C ATOM 354 O ASN A 28 8.529 -10.857 16.957 1.00 0.00 O ATOM 355 CB ASN A 28 6.330 -11.619 18.373 1.00 0.00 C ATOM 356 CG ASN A 28 5.015 -11.773 19.114 1.00 0.00 C ATOM 357 OD1 ASN A 28 4.447 -12.863 19.173 1.00 0.00 O ATOM 358 ND2 ASN A 28 4.525 -10.677 19.683 1.00 0.00 N ATOM 0 H ASN A 28 4.426 -11.620 15.864 1.00 0.00 H new ATOM 0 HA ASN A 28 5.626 -10.129 16.992 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.837 -12.583 18.334 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.978 -10.940 18.927 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.643 -10.718 20.194 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.030 -9.794 19.608 1.00 0.00 H new ATOM 365 N GLU A 29 7.489 -10.737 14.966 1.00 0.00 N ATOM 366 CA GLU A 29 8.720 -10.533 14.212 1.00 0.00 C ATOM 367 C GLU A 29 8.435 -9.851 12.877 1.00 0.00 C ATOM 368 O GLU A 29 7.399 -10.089 12.255 1.00 0.00 O ATOM 369 CB GLU A 29 9.426 -11.870 13.973 1.00 0.00 C ATOM 370 CG GLU A 29 10.897 -11.727 13.620 1.00 0.00 C ATOM 371 CD GLU A 29 11.720 -11.169 14.765 1.00 0.00 C ATOM 372 OE1 GLU A 29 11.428 -11.515 15.929 1.00 0.00 O ATOM 373 OE2 GLU A 29 12.656 -10.387 14.497 1.00 0.00 O ATOM 0 H GLU A 29 6.643 -10.756 14.396 1.00 0.00 H new ATOM 0 HA GLU A 29 9.371 -9.886 14.799 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.334 -12.485 14.868 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.918 -12.401 13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.294 -12.701 13.333 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.997 -11.074 12.753 1.00 0.00 H new ATOM 380 N PHE A 30 9.360 -9.002 12.443 1.00 0.00 N ATOM 381 CA PHE A 30 9.208 -8.284 11.183 1.00 0.00 C ATOM 382 C PHE A 30 9.886 -9.037 10.042 1.00 0.00 C ATOM 383 O PHE A 30 11.095 -9.268 10.067 1.00 0.00 O ATOM 384 CB PHE A 30 9.796 -6.876 11.300 1.00 0.00 C ATOM 385 CG PHE A 30 8.865 -5.889 11.946 1.00 0.00 C ATOM 386 CD1 PHE A 30 8.832 -5.749 13.324 1.00 0.00 C ATOM 387 CD2 PHE A 30 8.024 -5.103 11.176 1.00 0.00 C ATOM 388 CE1 PHE A 30 7.976 -4.842 13.922 1.00 0.00 C ATOM 389 CE2 PHE A 30 7.166 -4.195 11.767 1.00 0.00 C ATOM 390 CZ PHE A 30 7.143 -4.064 13.142 1.00 0.00 C ATOM 0 H PHE A 30 10.223 -8.794 12.945 1.00 0.00 H new ATOM 0 HA PHE A 30 8.143 -8.209 10.963 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.720 -6.923 11.877 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.060 -6.517 10.305 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.482 -6.355 13.938 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.039 -5.201 10.101 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.959 -4.742 14.997 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.515 -3.589 11.155 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.475 -3.354 13.606 1.00 0.00 H new ATOM 400 N LYS A 31 9.098 -9.418 9.042 1.00 0.00 N ATOM 401 CA LYS A 31 9.620 -10.144 7.891 1.00 0.00 C ATOM 402 C LYS A 31 9.535 -9.295 6.627 1.00 0.00 C ATOM 403 O LYS A 31 8.500 -8.691 6.344 1.00 0.00 O ATOM 404 CB LYS A 31 8.848 -11.451 7.693 1.00 0.00 C ATOM 405 CG LYS A 31 9.098 -12.476 8.786 1.00 0.00 C ATOM 406 CD LYS A 31 10.371 -13.265 8.529 1.00 0.00 C ATOM 407 CE LYS A 31 11.583 -12.582 9.143 1.00 0.00 C ATOM 408 NZ LYS A 31 12.653 -13.557 9.490 1.00 0.00 N ATOM 0 H LYS A 31 8.095 -9.236 9.006 1.00 0.00 H new ATOM 0 HA LYS A 31 10.668 -10.373 8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.781 -11.230 7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.123 -11.884 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.170 -11.972 9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.251 -13.159 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.269 -14.268 8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.520 -13.377 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.977 -11.844 8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.280 -12.041 10.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.461 -13.052 9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.285 -14.246 10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.961 -14.055 8.630 1.00 0.00 H new ATOM 422 N GLU A 32 10.628 -9.254 5.872 1.00 0.00 N ATOM 423 CA GLU A 32 10.674 -8.479 4.638 1.00 0.00 C ATOM 424 C GLU A 32 9.726 -9.061 3.593 1.00 0.00 C ATOM 425 O GLU A 32 9.920 -10.178 3.115 1.00 0.00 O ATOM 426 CB GLU A 32 12.100 -8.444 4.084 1.00 0.00 C ATOM 427 CG GLU A 32 12.332 -7.338 3.068 1.00 0.00 C ATOM 428 CD GLU A 32 13.779 -6.890 3.014 1.00 0.00 C ATOM 429 OE1 GLU A 32 14.433 -6.867 4.078 1.00 0.00 O ATOM 430 OE2 GLU A 32 14.258 -6.561 1.908 1.00 0.00 O ATOM 0 H GLU A 32 11.493 -9.748 6.093 1.00 0.00 H new ATOM 0 HA GLU A 32 10.355 -7.462 4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.799 -8.318 4.911 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.324 -9.405 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.026 -7.686 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.700 -6.485 3.315 1.00 0.00 H new ATOM 437 N LYS A 33 8.698 -8.294 3.244 1.00 0.00 N ATOM 438 CA LYS A 33 7.718 -8.731 2.256 1.00 0.00 C ATOM 439 C LYS A 33 8.331 -8.763 0.859 1.00 0.00 C ATOM 440 O LYS A 33 8.107 -9.699 0.094 1.00 0.00 O ATOM 441 CB LYS A 33 6.501 -7.804 2.270 1.00 0.00 C ATOM 442 CG LYS A 33 5.500 -8.097 1.165 1.00 0.00 C ATOM 443 CD LYS A 33 4.504 -9.165 1.585 1.00 0.00 C ATOM 444 CE LYS A 33 3.718 -9.693 0.395 1.00 0.00 C ATOM 445 NZ LYS A 33 4.500 -10.689 -0.389 1.00 0.00 N ATOM 0 H LYS A 33 8.522 -7.367 3.631 1.00 0.00 H new ATOM 0 HA LYS A 33 7.401 -9.740 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.000 -7.890 3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.840 -6.772 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.967 -7.183 0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.030 -8.424 0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.033 -9.987 2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.816 -8.752 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.793 -10.152 0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.436 -8.862 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.929 -11.025 -1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.370 -10.245 -0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.747 -11.494 0.221 1.00 0.00 H new ATOM 459 N GLY A 34 9.107 -7.733 0.535 1.00 0.00 N ATOM 460 CA GLY A 34 9.741 -7.664 -0.769 1.00 0.00 C ATOM 461 C GLY A 34 9.891 -6.240 -1.266 1.00 0.00 C ATOM 462 O GLY A 34 8.911 -5.500 -1.355 1.00 0.00 O ATOM 0 H GLY A 34 9.308 -6.946 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.724 -8.133 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.152 -8.236 -1.486 1.00 0.00 H new ATOM 466 N ILE A 35 11.121 -5.854 -1.588 1.00 0.00 N ATOM 467 CA ILE A 35 11.395 -4.508 -2.077 1.00 0.00 C ATOM 468 C ILE A 35 10.682 -4.249 -3.400 1.00 0.00 C ATOM 469 O ILE A 35 10.719 -5.075 -4.310 1.00 0.00 O ATOM 470 CB ILE A 35 12.906 -4.275 -2.267 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.668 -4.668 -1.000 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.176 -2.822 -2.626 1.00 0.00 C ATOM 473 CD1 ILE A 35 15.171 -4.613 -1.157 1.00 0.00 C ATOM 0 H ILE A 35 11.943 -6.454 -1.519 1.00 0.00 H new ATOM 0 HA ILE A 35 11.021 -3.815 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 35 13.256 -4.902 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.371 -4.005 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.378 -5.678 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.248 -2.673 -2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.659 -2.574 -3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.815 -2.176 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.646 -4.904 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.479 -5.297 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.473 -3.598 -1.417 1.00 0.00 H new ATOM 485 N GLY A 36 10.033 -3.092 -3.499 1.00 0.00 N ATOM 486 CA GLY A 36 9.322 -2.743 -4.715 1.00 0.00 C ATOM 487 C GLY A 36 8.986 -1.266 -4.786 1.00 0.00 C ATOM 488 O GLY A 36 9.306 -0.504 -3.874 1.00 0.00 O ATOM 0 H GLY A 36 9.987 -2.391 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.929 -3.016 -5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.402 -3.325 -4.774 1.00 0.00 H new ATOM 492 N THR A 37 8.339 -0.860 -5.874 1.00 0.00 N ATOM 493 CA THR A 37 7.962 0.535 -6.063 1.00 0.00 C ATOM 494 C THR A 37 6.477 0.745 -5.792 1.00 0.00 C ATOM 495 O THR A 37 5.630 0.034 -6.335 1.00 0.00 O ATOM 496 CB THR A 37 8.285 1.017 -7.490 1.00 0.00 C ATOM 497 OG1 THR A 37 9.642 0.699 -7.819 1.00 0.00 O ATOM 498 CG2 THR A 37 8.065 2.516 -7.618 1.00 0.00 C ATOM 0 H THR A 37 8.065 -1.478 -6.638 1.00 0.00 H new ATOM 0 HA THR A 37 8.545 1.118 -5.350 1.00 0.00 H new ATOM 0 HB THR A 37 7.615 0.507 -8.182 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.839 1.007 -8.728 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.300 2.833 -8.634 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.024 2.751 -7.396 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.713 3.040 -6.916 1.00 0.00 H new ATOM 506 N LEU A 38 6.167 1.725 -4.950 1.00 0.00 N ATOM 507 CA LEU A 38 4.782 2.029 -4.608 1.00 0.00 C ATOM 508 C LEU A 38 4.160 2.969 -5.636 1.00 0.00 C ATOM 509 O LEU A 38 4.804 3.910 -6.102 1.00 0.00 O ATOM 510 CB LEU A 38 4.706 2.657 -3.215 1.00 0.00 C ATOM 511 CG LEU A 38 3.354 3.253 -2.820 1.00 0.00 C ATOM 512 CD1 LEU A 38 3.050 4.487 -3.655 1.00 0.00 C ATOM 513 CD2 LEU A 38 2.250 2.217 -2.973 1.00 0.00 C ATOM 0 H LEU A 38 6.856 2.322 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 38 4.220 1.095 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.974 1.897 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.459 3.442 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 38 3.402 3.552 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.084 4.897 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.826 5.235 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.021 4.214 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.295 2.658 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.202 1.887 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.461 1.362 -2.330 1.00 0.00 H new ATOM 525 N HIS A 39 2.904 2.709 -5.985 1.00 0.00 N ATOM 526 CA HIS A 39 2.194 3.534 -6.956 1.00 0.00 C ATOM 527 C HIS A 39 0.750 3.765 -6.520 1.00 0.00 C ATOM 528 O HIS A 39 0.034 2.821 -6.181 1.00 0.00 O ATOM 529 CB HIS A 39 2.223 2.874 -8.335 1.00 0.00 C ATOM 530 CG HIS A 39 3.562 2.943 -9.003 1.00 0.00 C ATOM 531 ND1 HIS A 39 3.768 3.575 -10.211 1.00 0.00 N ATOM 532 CD2 HIS A 39 4.767 2.456 -8.625 1.00 0.00 C ATOM 533 CE1 HIS A 39 5.042 3.472 -10.548 1.00 0.00 C ATOM 534 NE2 HIS A 39 5.669 2.798 -9.601 1.00 0.00 N ATOM 0 H HIS A 39 2.357 1.934 -5.610 1.00 0.00 H new ATOM 0 HA HIS A 39 2.697 4.499 -7.013 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.929 1.829 -8.235 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.482 3.354 -8.974 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.050 4.048 -10.759 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.979 1.901 -7.723 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.493 3.871 -11.445 1.00 0.00 H new ATOM 542 N LEU A 40 0.328 5.024 -6.531 1.00 0.00 N ATOM 543 CA LEU A 40 -1.030 5.380 -6.137 1.00 0.00 C ATOM 544 C LEU A 40 -1.872 5.748 -7.354 1.00 0.00 C ATOM 545 O LEU A 40 -1.542 6.675 -8.094 1.00 0.00 O ATOM 546 CB LEU A 40 -1.006 6.546 -5.147 1.00 0.00 C ATOM 547 CG LEU A 40 -0.311 6.279 -3.812 1.00 0.00 C ATOM 548 CD1 LEU A 40 -0.177 7.566 -3.013 1.00 0.00 C ATOM 549 CD2 LEU A 40 -1.074 5.231 -3.014 1.00 0.00 C ATOM 0 H LEU A 40 0.907 5.816 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.481 4.512 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.515 7.393 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.034 6.846 -4.945 1.00 0.00 H new ATOM 0 HG LEU A 40 0.689 5.896 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.320 7.356 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.412 8.287 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.167 7.979 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.565 5.053 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.086 5.586 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.118 4.302 -3.582 1.00 0.00 H new ATOM 561 N LYS A 41 -2.964 5.018 -7.555 1.00 0.00 N ATOM 562 CA LYS A 41 -3.857 5.269 -8.680 1.00 0.00 C ATOM 563 C LYS A 41 -5.258 5.625 -8.194 1.00 0.00 C ATOM 564 O LYS A 41 -5.855 4.923 -7.378 1.00 0.00 O ATOM 565 CB LYS A 41 -3.919 4.041 -9.592 1.00 0.00 C ATOM 566 CG LYS A 41 -2.557 3.576 -10.079 1.00 0.00 C ATOM 567 CD LYS A 41 -2.677 2.389 -11.019 1.00 0.00 C ATOM 568 CE LYS A 41 -1.447 1.497 -10.951 1.00 0.00 C ATOM 569 NZ LYS A 41 -0.320 2.046 -11.756 1.00 0.00 N ATOM 0 H LYS A 41 -3.252 4.247 -6.953 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.462 6.114 -9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.402 3.224 -9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.545 4.270 -10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.053 4.396 -10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.938 3.304 -9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.563 1.809 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.814 2.745 -12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.133 1.389 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.700 0.500 -11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.500 1.410 -11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.611 2.125 -12.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.061 2.986 -11.395 1.00 0.00 H new ATOM 583 N PRO A 42 -5.797 6.741 -8.706 1.00 0.00 N ATOM 584 CA PRO A 42 -7.135 7.214 -8.339 1.00 0.00 C ATOM 585 C PRO A 42 -8.238 6.314 -8.885 1.00 0.00 C ATOM 586 O PRO A 42 -8.119 5.761 -9.979 1.00 0.00 O ATOM 587 CB PRO A 42 -7.210 8.601 -8.983 1.00 0.00 C ATOM 588 CG PRO A 42 -6.252 8.542 -10.122 1.00 0.00 C ATOM 589 CD PRO A 42 -5.142 7.627 -9.683 1.00 0.00 C ATOM 0 HA PRO A 42 -7.282 7.221 -7.259 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.220 8.824 -9.326 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.935 9.382 -8.274 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.738 8.163 -11.021 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.869 9.534 -10.361 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.729 7.066 -10.521 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.318 8.181 -9.234 1.00 0.00 H new ATOM 597 N THR A 43 -9.313 6.170 -8.116 1.00 0.00 N ATOM 598 CA THR A 43 -10.438 5.336 -8.522 1.00 0.00 C ATOM 599 C THR A 43 -11.654 6.185 -8.874 1.00 0.00 C ATOM 600 O THR A 43 -11.730 7.358 -8.509 1.00 0.00 O ATOM 601 CB THR A 43 -10.826 4.338 -7.415 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.254 5.046 -6.246 1.00 0.00 O ATOM 603 CG2 THR A 43 -9.653 3.434 -7.066 1.00 0.00 C ATOM 0 H THR A 43 -9.428 6.620 -7.208 1.00 0.00 H new ATOM 0 HA THR A 43 -10.118 4.782 -9.404 1.00 0.00 H new ATOM 0 HB THR A 43 -11.644 3.719 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.053 4.615 -5.877 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.951 2.738 -6.282 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.348 2.875 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.818 4.040 -6.715 1.00 0.00 H new ATOM 611 N ALA A 44 -12.603 5.586 -9.584 1.00 0.00 N ATOM 612 CA ALA A 44 -13.817 6.287 -9.983 1.00 0.00 C ATOM 613 C ALA A 44 -14.604 6.758 -8.764 1.00 0.00 C ATOM 614 O ALA A 44 -15.404 7.688 -8.852 1.00 0.00 O ATOM 615 CB ALA A 44 -14.681 5.391 -10.858 1.00 0.00 C ATOM 0 H ALA A 44 -12.555 4.616 -9.895 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.527 7.166 -10.558 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.584 5.928 -11.148 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -14.124 5.108 -11.751 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.955 4.494 -10.302 1.00 0.00 H new ATOM 621 N ASN A 45 -14.372 6.108 -7.628 1.00 0.00 N ATOM 622 CA ASN A 45 -15.061 6.460 -6.392 1.00 0.00 C ATOM 623 C ASN A 45 -14.304 7.550 -5.639 1.00 0.00 C ATOM 624 O ASN A 45 -14.590 7.825 -4.474 1.00 0.00 O ATOM 625 CB ASN A 45 -15.218 5.225 -5.502 1.00 0.00 C ATOM 626 CG ASN A 45 -16.454 4.418 -5.846 1.00 0.00 C ATOM 627 OD1 ASN A 45 -17.578 4.826 -5.551 1.00 0.00 O ATOM 628 ND2 ASN A 45 -16.252 3.265 -6.474 1.00 0.00 N ATOM 0 H ASN A 45 -13.712 5.335 -7.538 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.049 6.841 -6.651 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -14.335 4.593 -5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -15.270 5.537 -4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.046 2.679 -6.731 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.303 2.966 -6.699 1.00 0.00 H new ATOM 635 N GLN A 46 -13.340 8.168 -6.314 1.00 0.00 N ATOM 636 CA GLN A 46 -12.543 9.228 -5.709 1.00 0.00 C ATOM 637 C GLN A 46 -11.754 8.702 -4.514 1.00 0.00 C ATOM 638 O GLN A 46 -11.520 9.423 -3.545 1.00 0.00 O ATOM 639 CB GLN A 46 -13.443 10.385 -5.271 1.00 0.00 C ATOM 640 CG GLN A 46 -14.218 11.019 -6.415 1.00 0.00 C ATOM 641 CD GLN A 46 -15.089 12.173 -5.960 1.00 0.00 C ATOM 642 OE1 GLN A 46 -15.849 12.052 -5.000 1.00 0.00 O ATOM 643 NE2 GLN A 46 -14.982 13.303 -6.650 1.00 0.00 N ATOM 0 H GLN A 46 -13.092 7.953 -7.280 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.837 9.589 -6.457 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.148 10.023 -4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.831 11.148 -4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.517 11.374 -7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -14.843 10.262 -6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -14.339 13.359 -7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.543 14.114 -6.390 1.00 0.00 H new ATOM 652 N LYS A 47 -11.347 7.439 -4.590 1.00 0.00 N ATOM 653 CA LYS A 47 -10.583 6.815 -3.516 1.00 0.00 C ATOM 654 C LYS A 47 -9.130 6.609 -3.931 1.00 0.00 C ATOM 655 O LYS A 47 -8.752 6.887 -5.069 1.00 0.00 O ATOM 656 CB LYS A 47 -11.210 5.473 -3.131 1.00 0.00 C ATOM 657 CG LYS A 47 -12.623 5.595 -2.588 1.00 0.00 C ATOM 658 CD LYS A 47 -12.624 5.913 -1.102 1.00 0.00 C ATOM 659 CE LYS A 47 -13.933 5.501 -0.445 1.00 0.00 C ATOM 660 NZ LYS A 47 -15.034 6.453 -0.759 1.00 0.00 N ATOM 0 H LYS A 47 -11.534 6.827 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.605 7.481 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.221 4.822 -4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.582 4.990 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.155 6.378 -3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.162 4.664 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.795 5.397 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.463 6.981 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.210 4.502 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.796 5.447 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.909 6.138 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.781 7.402 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.182 6.486 -1.788 1.00 0.00 H new ATOM 674 N THR A 48 -8.317 6.120 -2.999 1.00 0.00 N ATOM 675 CA THR A 48 -6.906 5.877 -3.267 1.00 0.00 C ATOM 676 C THR A 48 -6.562 4.401 -3.105 1.00 0.00 C ATOM 677 O THR A 48 -6.574 3.870 -1.995 1.00 0.00 O ATOM 678 CB THR A 48 -6.005 6.708 -2.334 1.00 0.00 C ATOM 679 OG1 THR A 48 -6.326 8.098 -2.453 1.00 0.00 O ATOM 680 CG2 THR A 48 -4.536 6.491 -2.665 1.00 0.00 C ATOM 0 H THR A 48 -8.613 5.885 -2.052 1.00 0.00 H new ATOM 0 HA THR A 48 -6.724 6.179 -4.298 1.00 0.00 H new ATOM 0 HB THR A 48 -6.182 6.381 -1.309 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.023 8.330 -1.804 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.920 7.088 -1.993 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.288 5.437 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.347 6.793 -3.695 1.00 0.00 H new ATOM 688 N GLN A 49 -6.254 3.743 -4.219 1.00 0.00 N ATOM 689 CA GLN A 49 -5.907 2.328 -4.199 1.00 0.00 C ATOM 690 C GLN A 49 -4.393 2.139 -4.196 1.00 0.00 C ATOM 691 O GLN A 49 -3.699 2.589 -5.108 1.00 0.00 O ATOM 692 CB GLN A 49 -6.519 1.613 -5.405 1.00 0.00 C ATOM 693 CG GLN A 49 -6.185 0.132 -5.469 1.00 0.00 C ATOM 694 CD GLN A 49 -6.760 -0.544 -6.698 1.00 0.00 C ATOM 695 OE1 GLN A 49 -7.807 -0.145 -7.208 1.00 0.00 O ATOM 696 NE2 GLN A 49 -6.075 -1.574 -7.183 1.00 0.00 N ATOM 0 H GLN A 49 -6.238 4.168 -5.146 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.312 1.894 -3.285 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.602 1.732 -5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.170 2.095 -6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.102 0.007 -5.464 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.567 -0.362 -4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.212 -1.871 -6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.413 -2.067 -8.010 1.00 0.00 H new ATOM 705 N LEU A 50 -3.888 1.471 -3.164 1.00 0.00 N ATOM 706 CA LEU A 50 -2.456 1.223 -3.042 1.00 0.00 C ATOM 707 C LEU A 50 -2.034 0.033 -3.898 1.00 0.00 C ATOM 708 O LEU A 50 -2.679 -1.017 -3.881 1.00 0.00 O ATOM 709 CB LEU A 50 -2.085 0.970 -1.579 1.00 0.00 C ATOM 710 CG LEU A 50 -0.652 1.324 -1.179 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.571 2.767 -0.707 1.00 0.00 C ATOM 712 CD2 LEU A 50 -0.152 0.378 -0.098 1.00 0.00 C ATOM 0 H LEU A 50 -4.449 1.092 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.928 2.108 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.768 1.539 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.252 -0.085 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.012 1.214 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.456 3.001 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.888 3.431 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.223 2.905 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.869 0.644 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.794 0.456 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.172 -0.646 -0.472 1.00 0.00 H new ATOM 724 N LEU A 51 -0.948 0.202 -4.643 1.00 0.00 N ATOM 725 CA LEU A 51 -0.438 -0.860 -5.504 1.00 0.00 C ATOM 726 C LEU A 51 1.086 -0.822 -5.571 1.00 0.00 C ATOM 727 O LEU A 51 1.671 0.115 -6.113 1.00 0.00 O ATOM 728 CB LEU A 51 -1.025 -0.728 -6.911 1.00 0.00 C ATOM 729 CG LEU A 51 -1.004 -1.994 -7.768 1.00 0.00 C ATOM 730 CD1 LEU A 51 -2.159 -2.910 -7.395 1.00 0.00 C ATOM 731 CD2 LEU A 51 -1.058 -1.638 -9.246 1.00 0.00 C ATOM 0 H LEU A 51 -0.403 1.064 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.741 -1.817 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.058 -0.391 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.479 0.053 -7.439 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.071 -2.524 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.128 -3.806 -8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.075 -3.192 -6.345 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.103 -2.390 -7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.042 -2.551 -9.841 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.974 -1.085 -9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.196 -1.022 -9.504 1.00 0.00 H new ATOM 743 N VAL A 52 1.722 -1.849 -5.017 1.00 0.00 N ATOM 744 CA VAL A 52 3.178 -1.936 -5.017 1.00 0.00 C ATOM 745 C VAL A 52 3.664 -3.021 -5.970 1.00 0.00 C ATOM 746 O VAL A 52 3.169 -4.148 -5.949 1.00 0.00 O ATOM 747 CB VAL A 52 3.722 -2.226 -3.606 1.00 0.00 C ATOM 748 CG1 VAL A 52 5.220 -2.486 -3.654 1.00 0.00 C ATOM 749 CG2 VAL A 52 3.403 -1.075 -2.664 1.00 0.00 C ATOM 0 H VAL A 52 1.253 -2.632 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 52 3.553 -0.969 -5.352 1.00 0.00 H new ATOM 0 HB VAL A 52 3.233 -3.123 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.586 -2.689 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.420 -3.346 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.729 -1.610 -4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.795 -1.298 -1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.862 -0.160 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.323 -0.941 -2.606 1.00 0.00 H new ATOM 759 N ARG A 53 4.637 -2.674 -6.807 1.00 0.00 N ATOM 760 CA ARG A 53 5.191 -3.619 -7.769 1.00 0.00 C ATOM 761 C ARG A 53 6.525 -4.174 -7.280 1.00 0.00 C ATOM 762 O ARG A 53 7.357 -3.440 -6.748 1.00 0.00 O ATOM 763 CB ARG A 53 5.374 -2.944 -9.130 1.00 0.00 C ATOM 764 CG ARG A 53 6.162 -3.782 -10.124 1.00 0.00 C ATOM 765 CD ARG A 53 6.354 -3.049 -11.442 1.00 0.00 C ATOM 766 NE ARG A 53 6.656 -3.965 -12.539 1.00 0.00 N ATOM 767 CZ ARG A 53 7.852 -4.510 -12.733 1.00 0.00 C ATOM 768 NH1 ARG A 53 8.852 -4.233 -11.908 1.00 0.00 N ATOM 769 NH2 ARG A 53 8.048 -5.334 -13.754 1.00 0.00 N ATOM 0 H ARG A 53 5.058 -1.745 -6.838 1.00 0.00 H new ATOM 0 HA ARG A 53 4.490 -4.447 -7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.393 -2.723 -9.551 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.883 -1.990 -8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.135 -4.032 -9.700 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.641 -4.723 -10.302 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.451 -2.486 -11.678 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.163 -2.326 -11.340 1.00 0.00 H new ATOM 0 HE ARG A 53 5.908 -4.199 -13.192 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.704 -3.600 -11.122 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.769 -4.653 -12.059 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.280 -5.549 -14.390 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.966 -5.752 -13.903 1.00 0.00 H new ATOM 783 N ALA A 54 6.722 -5.475 -7.465 1.00 0.00 N ATOM 784 CA ALA A 54 7.955 -6.129 -7.045 1.00 0.00 C ATOM 785 C ALA A 54 9.170 -5.486 -7.706 1.00 0.00 C ATOM 786 O ALA A 54 9.138 -5.147 -8.889 1.00 0.00 O ATOM 787 CB ALA A 54 7.901 -7.615 -7.366 1.00 0.00 C ATOM 0 H ALA A 54 6.043 -6.097 -7.903 1.00 0.00 H new ATOM 0 HA ALA A 54 8.053 -6.006 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.829 -8.090 -7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.061 -8.070 -6.842 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.775 -7.751 -8.440 1.00 0.00 H new ATOM 793 N ASP A 55 10.239 -5.321 -6.935 1.00 0.00 N ATOM 794 CA ASP A 55 11.465 -4.720 -7.447 1.00 0.00 C ATOM 795 C ASP A 55 12.020 -5.528 -8.615 1.00 0.00 C ATOM 796 O ASP A 55 12.520 -4.967 -9.591 1.00 0.00 O ATOM 797 CB ASP A 55 12.512 -4.620 -6.336 1.00 0.00 C ATOM 798 CG ASP A 55 13.900 -4.333 -6.873 1.00 0.00 C ATOM 799 OD1 ASP A 55 14.006 -3.621 -7.893 1.00 0.00 O ATOM 800 OD2 ASP A 55 14.881 -4.822 -6.274 1.00 0.00 O ATOM 0 H ASP A 55 10.281 -5.595 -5.953 1.00 0.00 H new ATOM 0 HA ASP A 55 11.228 -3.718 -7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.225 -3.832 -5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.529 -5.553 -5.772 1.00 0.00 H new ATOM 859 N ASN A 60 5.466 -8.226 -9.779 1.00 0.00 N ATOM 860 CA ASN A 60 4.359 -8.921 -9.132 1.00 0.00 C ATOM 861 C ASN A 60 3.722 -8.048 -8.056 1.00 0.00 C ATOM 862 O ASN A 60 4.376 -7.176 -7.483 1.00 0.00 O ATOM 863 CB ASN A 60 4.844 -10.236 -8.518 1.00 0.00 C ATOM 864 CG ASN A 60 5.555 -10.027 -7.194 1.00 0.00 C ATOM 865 OD1 ASN A 60 4.973 -9.515 -6.238 1.00 0.00 O ATOM 866 ND2 ASN A 60 6.821 -10.424 -7.134 1.00 0.00 N ATOM 0 HA ASN A 60 3.606 -9.138 -9.890 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.993 -10.901 -8.370 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.519 -10.733 -9.215 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.351 -10.309 -6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.263 -10.844 -7.952 1.00 0.00 H new ATOM 873 N ILE A 61 2.444 -8.289 -7.785 1.00 0.00 N ATOM 874 CA ILE A 61 1.720 -7.526 -6.776 1.00 0.00 C ATOM 875 C ILE A 61 2.139 -7.938 -5.369 1.00 0.00 C ATOM 876 O ILE A 61 1.976 -9.093 -4.975 1.00 0.00 O ATOM 877 CB ILE A 61 0.197 -7.705 -6.920 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.268 -7.223 -8.295 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.531 -6.955 -5.815 1.00 0.00 C ATOM 880 CD1 ILE A 61 -1.702 -7.587 -8.610 1.00 0.00 C ATOM 0 H ILE A 61 1.888 -9.007 -8.250 1.00 0.00 H new ATOM 0 HA ILE A 61 1.971 -6.477 -6.934 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.039 -8.765 -6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.157 -6.140 -8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.383 -7.648 -9.059 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.606 -7.091 -5.930 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.218 -7.342 -4.845 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.291 -5.894 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.963 -7.214 -9.600 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.815 -8.671 -8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.363 -7.139 -7.868 1.00 0.00 H new ATOM 892 N LEU A 62 2.678 -6.986 -4.616 1.00 0.00 N ATOM 893 CA LEU A 62 3.120 -7.249 -3.251 1.00 0.00 C ATOM 894 C LEU A 62 2.004 -6.958 -2.252 1.00 0.00 C ATOM 895 O LEU A 62 1.716 -7.771 -1.373 1.00 0.00 O ATOM 896 CB LEU A 62 4.350 -6.402 -2.919 1.00 0.00 C ATOM 897 CG LEU A 62 5.680 -6.901 -3.486 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.783 -5.886 -3.229 1.00 0.00 C ATOM 899 CD2 LEU A 62 6.044 -8.251 -2.884 1.00 0.00 C ATOM 0 H LEU A 62 2.820 -6.025 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 62 3.383 -8.304 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.179 -5.389 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.441 -6.338 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 62 5.571 -7.024 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.722 -6.258 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.527 -4.941 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.892 -5.731 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.993 -8.590 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.135 -8.154 -1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.265 -8.976 -3.119 1.00 0.00 H new ATOM 911 N LEU A 63 1.378 -5.795 -2.395 1.00 0.00 N ATOM 912 CA LEU A 63 0.292 -5.397 -1.506 1.00 0.00 C ATOM 913 C LEU A 63 -0.688 -4.474 -2.224 1.00 0.00 C ATOM 914 O LEU A 63 -0.344 -3.350 -2.587 1.00 0.00 O ATOM 915 CB LEU A 63 0.851 -4.700 -0.265 1.00 0.00 C ATOM 916 CG LEU A 63 -0.181 -4.089 0.684 1.00 0.00 C ATOM 917 CD1 LEU A 63 -0.749 -5.152 1.611 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.438 -2.954 1.487 1.00 0.00 C ATOM 0 H LEU A 63 1.604 -5.111 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.242 -6.297 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.447 -5.421 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.528 -3.910 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.998 -3.682 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.481 -4.699 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.230 -5.931 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.057 -5.590 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.311 -2.531 2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.274 -3.336 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.795 -2.180 0.808 1.00 0.00 H new ATOM 930 N ASN A 64 -1.910 -4.957 -2.424 1.00 0.00 N ATOM 931 CA ASN A 64 -2.940 -4.175 -3.097 1.00 0.00 C ATOM 932 C ASN A 64 -4.179 -4.036 -2.217 1.00 0.00 C ATOM 933 O ASN A 64 -4.941 -4.988 -2.044 1.00 0.00 O ATOM 934 CB ASN A 64 -3.317 -4.827 -4.429 1.00 0.00 C ATOM 935 CG ASN A 64 -4.297 -3.988 -5.226 1.00 0.00 C ATOM 936 OD1 ASN A 64 -4.305 -2.761 -5.128 1.00 0.00 O ATOM 937 ND2 ASN A 64 -5.130 -4.649 -6.021 1.00 0.00 N ATOM 0 H ASN A 64 -2.211 -5.886 -2.130 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.538 -3.180 -3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.415 -4.987 -5.020 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.753 -5.808 -4.240 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.812 -4.139 -6.582 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.088 -5.667 -6.071 1.00 0.00 H new ATOM 944 N VAL A 65 -4.376 -2.843 -1.664 1.00 0.00 N ATOM 945 CA VAL A 65 -5.523 -2.579 -0.804 1.00 0.00 C ATOM 946 C VAL A 65 -5.968 -1.125 -0.914 1.00 0.00 C ATOM 947 O VAL A 65 -5.190 -0.253 -1.303 1.00 0.00 O ATOM 948 CB VAL A 65 -5.205 -2.898 0.669 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.086 -4.400 0.877 1.00 0.00 C ATOM 950 CG2 VAL A 65 -3.932 -2.188 1.104 1.00 0.00 C ATOM 0 H VAL A 65 -3.756 -2.044 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.330 -3.229 -1.142 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.026 -2.535 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.861 -4.606 1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.026 -4.880 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.285 -4.792 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.722 -2.424 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.100 -2.519 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.060 -1.111 0.995 1.00 0.00 H new ATOM 960 N LEU A 66 -7.225 -0.870 -0.567 1.00 0.00 N ATOM 961 CA LEU A 66 -7.775 0.480 -0.626 1.00 0.00 C ATOM 962 C LEU A 66 -7.752 1.138 0.750 1.00 0.00 C ATOM 963 O LEU A 66 -8.091 0.511 1.754 1.00 0.00 O ATOM 964 CB LEU A 66 -9.207 0.445 -1.163 1.00 0.00 C ATOM 965 CG LEU A 66 -9.969 1.771 -1.129 1.00 0.00 C ATOM 966 CD1 LEU A 66 -9.437 2.720 -2.191 1.00 0.00 C ATOM 967 CD2 LEU A 66 -11.460 1.534 -1.322 1.00 0.00 C ATOM 0 H LEU A 66 -7.882 -1.580 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.154 1.070 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.179 0.091 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.771 -0.290 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.817 2.230 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.991 3.658 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.380 2.915 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.558 2.268 -3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.987 2.488 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.630 1.053 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.833 0.891 -0.524 1.00 0.00 H new ATOM 979 N ILE A 67 -7.351 2.404 0.788 1.00 0.00 N ATOM 980 CA ILE A 67 -7.287 3.147 2.040 1.00 0.00 C ATOM 981 C ILE A 67 -8.675 3.323 2.647 1.00 0.00 C ATOM 982 O ILE A 67 -9.526 4.036 2.115 1.00 0.00 O ATOM 983 CB ILE A 67 -6.647 4.534 1.840 1.00 0.00 C ATOM 984 CG1 ILE A 67 -5.167 4.389 1.480 1.00 0.00 C ATOM 985 CG2 ILE A 67 -6.812 5.379 3.094 1.00 0.00 C ATOM 986 CD1 ILE A 67 -4.498 5.701 1.137 1.00 0.00 C ATOM 0 H ILE A 67 -7.066 2.937 -0.034 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.667 2.564 2.721 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.155 5.037 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.641 3.930 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.072 3.710 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.355 6.356 2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.873 5.505 3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.327 4.882 3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.451 5.522 0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.999 6.152 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.561 6.376 1.991 1.00 0.00 H new ATOM 998 N PRO A 68 -8.910 2.660 3.789 1.00 0.00 N ATOM 999 CA PRO A 68 -10.193 2.729 4.494 1.00 0.00 C ATOM 1000 C PRO A 68 -10.436 4.097 5.124 1.00 0.00 C ATOM 1001 O PRO A 68 -9.547 4.947 5.180 1.00 0.00 O ATOM 1002 CB PRO A 68 -10.060 1.657 5.579 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.593 1.532 5.809 1.00 0.00 C ATOM 1004 CD PRO A 68 -7.942 1.792 4.479 1.00 0.00 C ATOM 0 HA PRO A 68 -11.036 2.572 3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.580 1.950 6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.492 0.710 5.255 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.253 2.248 6.557 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.339 0.539 6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.975 2.281 4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.768 0.867 3.929 1.00 0.00 H new ATOM 1012 N PRO A 69 -11.667 4.316 5.610 1.00 0.00 N ATOM 1013 CA PRO A 69 -12.054 5.579 6.246 1.00 0.00 C ATOM 1014 C PRO A 69 -11.378 5.778 7.598 1.00 0.00 C ATOM 1015 O PRO A 69 -10.920 6.874 7.918 1.00 0.00 O ATOM 1016 CB PRO A 69 -13.568 5.438 6.420 1.00 0.00 C ATOM 1017 CG PRO A 69 -13.809 3.969 6.475 1.00 0.00 C ATOM 1018 CD PRO A 69 -12.775 3.347 5.577 1.00 0.00 C ATOM 0 HA PRO A 69 -11.758 6.443 5.651 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.909 5.929 7.331 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.106 5.896 5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.716 3.596 7.495 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.816 3.726 6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.463 2.368 5.941 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.155 3.205 4.565 1.00 0.00 H new ATOM 1026 N ASN A 70 -11.319 4.711 8.388 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.699 4.770 9.707 1.00 0.00 C ATOM 1028 C ASN A 70 -9.432 3.921 9.750 1.00 0.00 C ATOM 1029 O ASN A 70 -9.487 2.698 9.627 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.682 4.293 10.777 1.00 0.00 C ATOM 1031 CG ASN A 70 -13.054 4.920 10.622 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -13.267 6.074 10.994 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -13.993 4.159 10.071 1.00 0.00 N ATOM 0 H ASN A 70 -11.693 3.795 8.138 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.428 5.806 9.908 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.773 3.208 10.725 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.285 4.533 11.764 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.936 4.526 9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.771 3.208 9.777 1.00 0.00 H new ATOM 1040 N MET A 71 -8.291 4.580 9.926 1.00 0.00 N ATOM 1041 CA MET A 71 -7.010 3.885 9.987 1.00 0.00 C ATOM 1042 C MET A 71 -5.998 4.683 10.803 1.00 0.00 C ATOM 1043 O MET A 71 -5.715 5.848 10.520 1.00 0.00 O ATOM 1044 CB MET A 71 -6.468 3.644 8.577 1.00 0.00 C ATOM 1045 CG MET A 71 -5.231 2.762 8.544 1.00 0.00 C ATOM 1046 SD MET A 71 -3.711 3.687 8.837 1.00 0.00 S ATOM 1047 CE MET A 71 -3.455 4.435 7.230 1.00 0.00 C ATOM 0 H MET A 71 -8.227 5.593 10.029 1.00 0.00 H new ATOM 0 HA MET A 71 -7.169 2.924 10.476 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.248 3.184 7.970 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.232 4.604 8.118 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.327 1.980 9.297 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.169 2.266 7.575 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.468 4.165 6.856 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.216 4.077 6.537 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.525 5.519 7.318 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.438 4.045 11.842 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.449 4.677 12.720 1.00 0.00 C ATOM 1059 C PRO A 72 -3.115 4.909 12.018 1.00 0.00 C ATOM 1060 O PRO A 72 -2.544 3.989 11.430 1.00 0.00 O ATOM 1061 CB PRO A 72 -4.286 3.665 13.856 1.00 0.00 C ATOM 1062 CG PRO A 72 -4.661 2.355 13.254 1.00 0.00 C ATOM 1063 CD PRO A 72 -5.728 2.656 12.238 1.00 0.00 C ATOM 0 HA PRO A 72 -4.771 5.664 13.053 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.262 3.650 14.229 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.930 3.911 14.701 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.799 1.880 12.786 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.030 1.667 14.015 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.677 1.976 11.387 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.727 2.559 12.663 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.624 6.141 12.082 1.00 0.00 N ATOM 1072 CA CYS A 73 -1.357 6.494 11.452 1.00 0.00 C ATOM 1073 C CYS A 73 -0.258 6.659 12.496 1.00 0.00 C ATOM 1074 O CYS A 73 -0.468 7.272 13.544 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.507 7.783 10.643 1.00 0.00 C ATOM 1076 SG CYS A 73 -1.865 9.245 11.645 1.00 0.00 S ATOM 0 H CYS A 73 -3.084 6.913 12.564 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.076 5.683 10.780 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.589 7.956 10.082 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.306 7.651 9.914 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.442 9.053 12.859 1.00 0.00 H new ATOM 1082 N THR A 74 0.916 6.108 12.205 1.00 0.00 N ATOM 1083 CA THR A 74 2.048 6.191 13.120 1.00 0.00 C ATOM 1084 C THR A 74 3.357 6.369 12.359 1.00 0.00 C ATOM 1085 O THR A 74 3.815 5.456 11.671 1.00 0.00 O ATOM 1086 CB THR A 74 2.148 4.936 14.006 1.00 0.00 C ATOM 1087 OG1 THR A 74 2.030 3.757 13.201 1.00 0.00 O ATOM 1088 CG2 THR A 74 1.063 4.938 15.072 1.00 0.00 C ATOM 0 H THR A 74 1.108 5.599 11.342 1.00 0.00 H new ATOM 0 HA THR A 74 1.879 7.061 13.755 1.00 0.00 H new ATOM 0 HB THR A 74 3.120 4.943 14.499 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.997 4.009 12.255 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.154 4.042 15.685 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.173 5.821 15.701 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.083 4.953 14.594 1.00 0.00 H new ATOM 1096 N ARG A 75 3.956 7.548 12.488 1.00 0.00 N ATOM 1097 CA ARG A 75 5.213 7.845 11.813 1.00 0.00 C ATOM 1098 C ARG A 75 6.399 7.611 12.744 1.00 0.00 C ATOM 1099 O ARG A 75 6.504 8.232 13.802 1.00 0.00 O ATOM 1100 CB ARG A 75 5.220 9.291 11.314 1.00 0.00 C ATOM 1101 CG ARG A 75 4.673 9.451 9.905 1.00 0.00 C ATOM 1102 CD ARG A 75 5.721 9.108 8.858 1.00 0.00 C ATOM 1103 NE ARG A 75 6.611 10.233 8.585 1.00 0.00 N ATOM 1104 CZ ARG A 75 7.769 10.422 9.209 1.00 0.00 C ATOM 1105 NH1 ARG A 75 8.174 9.565 10.136 1.00 0.00 N ATOM 1106 NH2 ARG A 75 8.524 11.470 8.906 1.00 0.00 N ATOM 0 H ARG A 75 3.591 8.314 13.054 1.00 0.00 H new ATOM 0 HA ARG A 75 5.305 7.173 10.960 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.631 9.905 11.995 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.241 9.672 11.344 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.804 8.806 9.776 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.334 10.477 9.760 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.309 8.256 9.199 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.226 8.805 7.935 1.00 0.00 H new ATOM 0 HE ARG A 75 6.329 10.911 7.877 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.596 8.758 10.372 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.063 9.713 10.613 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.216 12.132 8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.413 11.614 9.386 1.00 0.00 H new ATOM 1120 N THR A 76 7.291 6.710 12.343 1.00 0.00 N ATOM 1121 CA THR A 76 8.469 6.393 13.142 1.00 0.00 C ATOM 1122 C THR A 76 9.750 6.747 12.396 1.00 0.00 C ATOM 1123 O THR A 76 9.730 7.003 11.193 1.00 0.00 O ATOM 1124 CB THR A 76 8.505 4.901 13.521 1.00 0.00 C ATOM 1125 OG1 THR A 76 9.784 4.565 14.071 1.00 0.00 O ATOM 1126 CG2 THR A 76 8.224 4.027 12.308 1.00 0.00 C ATOM 0 H THR A 76 7.220 6.187 11.470 1.00 0.00 H new ATOM 0 HA THR A 76 8.405 6.990 14.052 1.00 0.00 H new ATOM 0 HB THR A 76 7.731 4.720 14.267 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.798 3.615 14.311 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.255 2.977 12.601 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.237 4.264 11.910 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.978 4.213 11.543 1.00 0.00 H new ATOM 1134 N GLY A 77 10.866 6.760 13.119 1.00 0.00 N ATOM 1135 CA GLY A 77 12.142 7.083 12.508 1.00 0.00 C ATOM 1136 C GLY A 77 12.053 8.275 11.575 1.00 0.00 C ATOM 1137 O GLY A 77 11.164 9.115 11.713 1.00 0.00 O ATOM 0 H GLY A 77 10.909 6.553 14.117 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.873 7.291 13.289 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.505 6.218 11.953 1.00 0.00 H new ATOM 1141 N LYS A 78 12.977 8.349 10.624 1.00 0.00 N ATOM 1142 CA LYS A 78 13.000 9.446 9.663 1.00 0.00 C ATOM 1143 C LYS A 78 12.333 9.038 8.354 1.00 0.00 C ATOM 1144 O LYS A 78 11.593 9.816 7.755 1.00 0.00 O ATOM 1145 CB LYS A 78 14.441 9.888 9.398 1.00 0.00 C ATOM 1146 CG LYS A 78 15.275 8.843 8.678 1.00 0.00 C ATOM 1147 CD LYS A 78 16.757 9.173 8.737 1.00 0.00 C ATOM 1148 CE LYS A 78 17.610 7.988 8.312 1.00 0.00 C ATOM 1149 NZ LYS A 78 17.768 7.920 6.833 1.00 0.00 N ATOM 0 H LYS A 78 13.720 7.662 10.498 1.00 0.00 H new ATOM 0 HA LYS A 78 12.442 10.280 10.089 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.428 10.802 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.918 10.130 10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.101 7.865 9.127 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.957 8.777 7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.967 10.024 8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.024 9.470 9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.592 8.062 8.779 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.154 7.065 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.356 7.099 6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.833 7.824 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.226 8.789 6.492 1.00 0.00 H new ATOM 1163 N ASN A 79 12.600 7.811 7.917 1.00 0.00 N ATOM 1164 CA ASN A 79 12.024 7.299 6.679 1.00 0.00 C ATOM 1165 C ASN A 79 11.132 6.092 6.952 1.00 0.00 C ATOM 1166 O ASN A 79 10.806 5.330 6.042 1.00 0.00 O ATOM 1167 CB ASN A 79 13.133 6.917 5.696 1.00 0.00 C ATOM 1168 CG ASN A 79 14.159 5.988 6.315 1.00 0.00 C ATOM 1169 OD1 ASN A 79 14.492 6.110 7.494 1.00 0.00 O ATOM 1170 ND2 ASN A 79 14.666 5.052 5.521 1.00 0.00 N ATOM 0 H ASN A 79 13.211 7.154 8.402 1.00 0.00 H new ATOM 0 HA ASN A 79 11.413 8.087 6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.691 6.436 4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.631 7.821 5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.360 4.398 5.882 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.361 4.987 4.550 1.00 0.00 H new ATOM 1177 N ASN A 80 10.742 5.924 8.211 1.00 0.00 N ATOM 1178 CA ASN A 80 9.888 4.809 8.605 1.00 0.00 C ATOM 1179 C ASN A 80 8.438 5.261 8.753 1.00 0.00 C ATOM 1180 O ASN A 80 8.153 6.267 9.403 1.00 0.00 O ATOM 1181 CB ASN A 80 10.381 4.201 9.919 1.00 0.00 C ATOM 1182 CG ASN A 80 11.853 3.836 9.870 1.00 0.00 C ATOM 1183 OD1 ASN A 80 12.674 4.427 10.572 1.00 0.00 O ATOM 1184 ND2 ASN A 80 12.192 2.857 9.039 1.00 0.00 N ATOM 0 H ASN A 80 11.004 6.546 8.976 1.00 0.00 H new ATOM 0 HA ASN A 80 9.936 4.052 7.822 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.212 4.909 10.730 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.796 3.310 10.146 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.167 2.567 8.964 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.477 2.395 8.476 1.00 0.00 H new ATOM 1191 N VAL A 81 7.525 4.509 8.147 1.00 0.00 N ATOM 1192 CA VAL A 81 6.104 4.830 8.213 1.00 0.00 C ATOM 1193 C VAL A 81 5.281 3.606 8.598 1.00 0.00 C ATOM 1194 O VAL A 81 5.146 2.663 7.816 1.00 0.00 O ATOM 1195 CB VAL A 81 5.590 5.378 6.868 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.114 5.733 6.966 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.409 6.585 6.437 1.00 0.00 C ATOM 0 H VAL A 81 7.744 3.673 7.605 1.00 0.00 H new ATOM 0 HA VAL A 81 5.988 5.597 8.978 1.00 0.00 H new ATOM 0 HB VAL A 81 5.704 4.602 6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.768 6.118 6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.542 4.842 7.227 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.973 6.493 7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.032 6.959 5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.329 7.367 7.192 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.454 6.295 6.325 1.00 0.00 H new ATOM 1207 N LEU A 82 4.732 3.625 9.807 1.00 0.00 N ATOM 1208 CA LEU A 82 3.921 2.517 10.298 1.00 0.00 C ATOM 1209 C LEU A 82 2.437 2.784 10.066 1.00 0.00 C ATOM 1210 O LEU A 82 1.935 3.864 10.379 1.00 0.00 O ATOM 1211 CB LEU A 82 4.183 2.287 11.787 1.00 0.00 C ATOM 1212 CG LEU A 82 5.311 1.312 12.127 1.00 0.00 C ATOM 1213 CD1 LEU A 82 5.722 1.459 13.584 1.00 0.00 C ATOM 1214 CD2 LEU A 82 4.888 -0.119 11.832 1.00 0.00 C ATOM 0 H LEU A 82 4.834 4.397 10.466 1.00 0.00 H new ATOM 0 HA LEU A 82 4.201 1.621 9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.409 3.248 12.248 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.264 1.922 12.245 1.00 0.00 H new ATOM 0 HG LEU A 82 6.171 1.550 11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.526 0.757 13.808 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.068 2.477 13.763 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.867 1.248 14.226 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.704 -0.798 12.080 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.012 -0.370 12.430 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.645 -0.216 10.774 1.00 0.00 H new ATOM 1226 N ILE A 83 1.741 1.793 9.518 1.00 0.00 N ATOM 1227 CA ILE A 83 0.315 1.920 9.248 1.00 0.00 C ATOM 1228 C ILE A 83 -0.399 0.584 9.424 1.00 0.00 C ATOM 1229 O ILE A 83 0.101 -0.459 9.004 1.00 0.00 O ATOM 1230 CB ILE A 83 0.056 2.445 7.824 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.726 1.535 6.792 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.561 3.873 7.685 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.173 1.697 5.394 1.00 0.00 C ATOM 0 H ILE A 83 2.142 0.894 9.253 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.080 2.637 9.968 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.019 2.441 7.642 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.796 1.742 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.607 0.497 7.103 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.370 4.229 6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.043 4.513 8.399 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.632 3.901 7.884 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.695 1.021 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.891 1.461 5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.316 2.726 5.063 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.573 0.624 10.046 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.359 -0.583 10.274 1.00 0.00 C ATOM 1247 C VAL A 84 -3.395 -0.781 9.174 1.00 0.00 C ATOM 1248 O VAL A 84 -4.321 0.019 9.028 1.00 0.00 O ATOM 1249 CB VAL A 84 -3.075 -0.537 11.637 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -3.846 -1.826 11.880 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.076 -0.284 12.756 1.00 0.00 C ATOM 0 H VAL A 84 -2.001 1.479 10.401 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.662 -1.421 10.266 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.788 0.287 11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.345 -1.775 12.848 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.590 -1.958 11.095 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.156 -2.670 11.872 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.600 -0.255 13.712 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.337 -1.085 12.772 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.575 0.669 12.588 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.235 -1.850 8.403 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.157 -2.154 7.315 1.00 0.00 C ATOM 1263 C CYS A 85 -4.179 -3.651 7.022 1.00 0.00 C ATOM 1264 O CYS A 85 -3.277 -4.386 7.424 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.763 -1.382 6.055 1.00 0.00 C ATOM 1266 SG CYS A 85 -2.091 -1.735 5.464 1.00 0.00 S ATOM 0 H CYS A 85 -2.475 -2.521 8.511 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.157 -1.848 7.623 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.474 -1.615 5.262 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.848 -0.314 6.255 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.852 -1.036 4.394 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.217 -4.096 6.321 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.357 -5.505 5.975 1.00 0.00 C ATOM 1274 C VAL A 86 -4.441 -5.881 4.816 1.00 0.00 C ATOM 1275 O VAL A 86 -4.540 -5.341 3.714 1.00 0.00 O ATOM 1276 CB VAL A 86 -6.811 -5.849 5.598 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -6.932 -7.317 5.219 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -7.752 -5.505 6.742 1.00 0.00 C ATOM 0 H VAL A 86 -5.973 -3.501 5.982 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.073 -6.077 6.859 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.095 -5.252 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.966 -7.541 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.287 -7.527 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.630 -7.937 6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.775 -5.754 6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.471 -6.075 7.628 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.685 -4.439 6.960 1.00 0.00 H new ATOM 1288 N PRO A 87 -3.526 -6.829 5.068 1.00 0.00 N ATOM 1289 CA PRO A 87 -2.574 -7.299 4.057 1.00 0.00 C ATOM 1290 C PRO A 87 -3.251 -8.107 2.954 1.00 0.00 C ATOM 1291 O PRO A 87 -4.007 -9.038 3.229 1.00 0.00 O ATOM 1292 CB PRO A 87 -1.616 -8.185 4.857 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.413 -8.643 6.029 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.351 -7.516 6.358 1.00 0.00 C ATOM 0 HA PRO A 87 -2.084 -6.472 3.543 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.267 -9.029 4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.733 -7.629 5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.964 -9.554 5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.766 -8.872 6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.300 -7.884 6.749 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.931 -6.852 7.113 1.00 0.00 H new ATOM 1302 N ASN A 88 -2.974 -7.744 1.706 1.00 0.00 N ATOM 1303 CA ASN A 88 -3.557 -8.436 0.562 1.00 0.00 C ATOM 1304 C ASN A 88 -2.469 -8.939 -0.381 1.00 0.00 C ATOM 1305 O ASN A 88 -1.697 -8.165 -0.948 1.00 0.00 O ATOM 1306 CB ASN A 88 -4.510 -7.505 -0.191 1.00 0.00 C ATOM 1307 CG ASN A 88 -5.894 -7.472 0.427 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -6.076 -6.980 1.542 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -6.878 -7.995 -0.295 1.00 0.00 N ATOM 0 H ASN A 88 -2.350 -6.975 1.461 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.116 -9.295 0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.096 -6.497 -0.202 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.586 -7.829 -1.229 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.831 -8.000 0.069 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.681 -8.392 -1.214 1.00 0.00 H new ATOM 1316 N PRO A 89 -2.404 -10.268 -0.554 1.00 0.00 N ATOM 1317 CA PRO A 89 -3.317 -11.199 0.116 1.00 0.00 C ATOM 1318 C PRO A 89 -3.059 -11.283 1.616 1.00 0.00 C ATOM 1319 O PRO A 89 -2.027 -10.839 2.120 1.00 0.00 O ATOM 1320 CB PRO A 89 -3.011 -12.540 -0.556 1.00 0.00 C ATOM 1321 CG PRO A 89 -1.610 -12.409 -1.043 1.00 0.00 C ATOM 1322 CD PRO A 89 -1.435 -10.963 -1.418 1.00 0.00 C ATOM 0 HA PRO A 89 -4.358 -10.888 0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.110 -13.367 0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.699 -12.737 -1.378 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.899 -12.700 -0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.432 -13.059 -1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.416 -10.621 -1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.644 -10.793 -2.474 1.00 0.00 H new ATOM 1330 N PRO A 90 -4.019 -11.867 2.350 1.00 0.00 N ATOM 1331 CA PRO A 90 -3.918 -12.025 3.804 1.00 0.00 C ATOM 1332 C PRO A 90 -2.855 -13.043 4.204 1.00 0.00 C ATOM 1333 O PRO A 90 -2.863 -14.180 3.732 1.00 0.00 O ATOM 1334 CB PRO A 90 -5.310 -12.519 4.205 1.00 0.00 C ATOM 1335 CG PRO A 90 -5.843 -13.181 2.982 1.00 0.00 C ATOM 1336 CD PRO A 90 -5.275 -12.419 1.817 1.00 0.00 C ATOM 0 HA PRO A 90 -3.622 -11.098 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.257 -13.216 5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.948 -11.693 4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.546 -14.229 2.945 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.933 -13.158 2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.097 -13.069 0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.951 -11.631 1.484 1.00 0.00 H new ATOM 1344 N ILE A 91 -1.944 -12.627 5.077 1.00 0.00 N ATOM 1345 CA ILE A 91 -0.876 -13.504 5.542 1.00 0.00 C ATOM 1346 C ILE A 91 -1.440 -14.718 6.271 1.00 0.00 C ATOM 1347 O ILE A 91 -1.018 -15.850 6.034 1.00 0.00 O ATOM 1348 CB ILE A 91 0.095 -12.761 6.478 1.00 0.00 C ATOM 1349 CG1 ILE A 91 0.705 -11.554 5.763 1.00 0.00 C ATOM 1350 CG2 ILE A 91 1.187 -13.703 6.964 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.203 -10.481 6.707 1.00 0.00 C ATOM 0 H ILE A 91 -1.924 -11.689 5.477 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.332 -13.835 4.658 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.462 -12.403 7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.533 -11.891 5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.041 -11.122 5.096 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.866 -13.163 7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.736 -14.534 7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.743 -14.088 6.109 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.622 -9.656 6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.374 -10.116 7.313 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.972 -10.897 7.358 1.00 0.00 H new ATOM 1363 N ASP A 92 -2.398 -14.475 7.159 1.00 0.00 N ATOM 1364 CA ASP A 92 -3.024 -15.549 7.922 1.00 0.00 C ATOM 1365 C ASP A 92 -4.432 -15.833 7.408 1.00 0.00 C ATOM 1366 O ASP A 92 -5.112 -14.937 6.908 1.00 0.00 O ATOM 1367 CB ASP A 92 -3.073 -15.186 9.407 1.00 0.00 C ATOM 1368 CG ASP A 92 -3.061 -16.410 10.303 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -3.904 -17.306 10.094 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -2.207 -16.470 11.213 1.00 0.00 O ATOM 0 H ASP A 92 -2.758 -13.544 7.368 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.423 -16.449 7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.221 -14.552 9.651 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.972 -14.602 9.606 1.00 0.00 H new ATOM 1375 N GLU A 93 -4.862 -17.084 7.534 1.00 0.00 N ATOM 1376 CA GLU A 93 -6.188 -17.485 7.079 1.00 0.00 C ATOM 1377 C GLU A 93 -7.260 -17.039 8.070 1.00 0.00 C ATOM 1378 O GLU A 93 -8.305 -16.518 7.679 1.00 0.00 O ATOM 1379 CB GLU A 93 -6.250 -19.002 6.892 1.00 0.00 C ATOM 1380 CG GLU A 93 -5.278 -19.527 5.848 1.00 0.00 C ATOM 1381 CD GLU A 93 -5.101 -21.031 5.921 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -6.008 -21.759 5.466 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -4.054 -21.481 6.432 1.00 0.00 O ATOM 0 H GLU A 93 -4.312 -17.837 7.947 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.378 -17.000 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.042 -19.486 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.264 -19.283 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.635 -19.255 4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.310 -19.044 5.982 1.00 0.00 H new ATOM 1390 N LYS A 94 -6.994 -17.249 9.355 1.00 0.00 N ATOM 1391 CA LYS A 94 -7.933 -16.869 10.403 1.00 0.00 C ATOM 1392 C LYS A 94 -7.889 -15.365 10.655 1.00 0.00 C ATOM 1393 O LYS A 94 -8.918 -14.693 10.633 1.00 0.00 O ATOM 1394 CB LYS A 94 -7.618 -17.623 11.697 1.00 0.00 C ATOM 1395 CG LYS A 94 -8.206 -19.023 11.744 1.00 0.00 C ATOM 1396 CD LYS A 94 -8.344 -19.522 13.173 1.00 0.00 C ATOM 1397 CE LYS A 94 -8.704 -20.999 13.215 1.00 0.00 C ATOM 1398 NZ LYS A 94 -7.572 -21.859 12.774 1.00 0.00 N ATOM 0 H LYS A 94 -6.135 -17.681 9.695 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.936 -17.134 10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.536 -17.688 11.816 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.997 -17.050 12.543 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.183 -19.025 11.261 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.570 -19.705 11.179 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.409 -19.359 13.708 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.111 -18.945 13.689 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.994 -21.273 14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.568 -21.180 12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.756 -22.844 13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.476 -21.803 11.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.692 -21.532 13.222 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.689 -14.845 10.893 1.00 0.00 N ATOM 1413 CA ASN A 95 -6.511 -13.420 11.148 1.00 0.00 C ATOM 1414 C ASN A 95 -6.622 -12.618 9.855 1.00 0.00 C ATOM 1415 O ASN A 95 -6.559 -11.389 9.868 1.00 0.00 O ATOM 1416 CB ASN A 95 -5.153 -13.164 11.805 1.00 0.00 C ATOM 1417 CG ASN A 95 -4.826 -14.189 12.874 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -4.033 -15.104 12.650 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -5.437 -14.040 14.043 1.00 0.00 N ATOM 0 H ASN A 95 -5.826 -15.389 10.915 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.302 -13.096 11.825 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.375 -13.178 11.042 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.148 -12.168 12.247 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.257 -14.699 14.800 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.087 -13.266 14.184 1.00 0.00 H new ATOM 1426 N ALA A 96 -6.788 -13.323 8.740 1.00 0.00 N ATOM 1427 CA ALA A 96 -6.910 -12.677 7.439 1.00 0.00 C ATOM 1428 C ALA A 96 -7.686 -11.369 7.547 1.00 0.00 C ATOM 1429 O ALA A 96 -7.142 -10.290 7.309 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.584 -13.613 6.447 1.00 0.00 C ATOM 0 H ALA A 96 -6.841 -14.341 8.712 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.907 -12.445 7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.669 -13.118 5.480 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.988 -14.520 6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.578 -13.873 6.810 1.00 0.00 H new ATOM 1436 N THR A 97 -8.962 -11.471 7.906 1.00 0.00 N ATOM 1437 CA THR A 97 -9.814 -10.296 8.043 1.00 0.00 C ATOM 1438 C THR A 97 -9.147 -9.231 8.907 1.00 0.00 C ATOM 1439 O THR A 97 -9.110 -8.057 8.543 1.00 0.00 O ATOM 1440 CB THR A 97 -11.178 -10.660 8.658 1.00 0.00 C ATOM 1441 OG1 THR A 97 -10.992 -11.253 9.947 1.00 0.00 O ATOM 1442 CG2 THR A 97 -11.939 -11.621 7.757 1.00 0.00 C ATOM 0 H THR A 97 -9.428 -12.356 8.107 1.00 0.00 H new ATOM 0 HA THR A 97 -9.971 -9.900 7.040 1.00 0.00 H new ATOM 0 HB THR A 97 -11.761 -9.745 8.761 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.864 -11.480 10.332 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.899 -11.864 8.212 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.105 -11.155 6.786 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.358 -12.534 7.626 1.00 0.00 H new ATOM 1450 N MET A 98 -8.622 -9.651 10.054 1.00 0.00 N ATOM 1451 CA MET A 98 -7.955 -8.732 10.969 1.00 0.00 C ATOM 1452 C MET A 98 -6.704 -8.139 10.328 1.00 0.00 C ATOM 1453 O MET A 98 -5.916 -8.835 9.688 1.00 0.00 O ATOM 1454 CB MET A 98 -7.585 -9.451 12.268 1.00 0.00 C ATOM 1455 CG MET A 98 -6.771 -8.596 13.225 1.00 0.00 C ATOM 1456 SD MET A 98 -6.083 -9.548 14.593 1.00 0.00 S ATOM 1457 CE MET A 98 -6.812 -8.703 15.994 1.00 0.00 C ATOM 0 H MET A 98 -8.646 -10.620 10.371 1.00 0.00 H new ATOM 0 HA MET A 98 -8.645 -7.920 11.196 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.498 -9.773 12.768 1.00 0.00 H new ATOM 0 HB3 MET A 98 -7.019 -10.351 12.027 1.00 0.00 H new ATOM 0 HG2 MET A 98 -5.960 -8.116 12.677 1.00 0.00 H new ATOM 0 HG3 MET A 98 -7.402 -7.801 13.622 1.00 0.00 H new ATOM 0 HE1 MET A 98 -6.480 -9.177 16.918 1.00 0.00 H new ATOM 0 HE2 MET A 98 -6.501 -7.658 15.991 1.00 0.00 H new ATOM 0 HE3 MET A 98 -7.899 -8.759 15.927 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.516 -6.822 10.503 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.362 -6.107 9.950 1.00 0.00 C ATOM 1469 C PRO A 99 -4.058 -6.485 10.644 1.00 0.00 C ATOM 1470 O PRO A 99 -4.065 -7.155 11.677 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.699 -4.636 10.209 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.621 -4.659 11.379 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.415 -5.931 11.256 1.00 0.00 C ATOM 0 HA PRO A 99 -5.202 -6.343 8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.801 -4.056 10.424 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.173 -4.180 9.340 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -6.064 -4.636 12.315 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.276 -3.788 11.377 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.665 -6.345 12.233 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.355 -5.769 10.728 1.00 0.00 H new ATOM 1481 N VAL A 100 -2.940 -6.051 10.070 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.628 -6.343 10.635 1.00 0.00 C ATOM 1483 C VAL A 100 -0.703 -5.136 10.528 1.00 0.00 C ATOM 1484 O VAL A 100 -0.919 -4.245 9.705 1.00 0.00 O ATOM 1485 CB VAL A 100 -0.969 -7.545 9.932 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -1.946 -8.707 9.833 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.463 -7.145 8.555 1.00 0.00 C ATOM 0 H VAL A 100 -2.917 -5.496 9.214 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.783 -6.587 11.686 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.115 -7.869 10.528 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.463 -9.547 9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.255 -9.009 10.834 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.821 -8.399 9.261 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.001 -8.006 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.298 -6.794 7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.273 -6.347 8.655 1.00 0.00 H new ATOM 1497 N THR A 101 0.330 -5.113 11.364 1.00 0.00 N ATOM 1498 CA THR A 101 1.289 -4.015 11.364 1.00 0.00 C ATOM 1499 C THR A 101 2.131 -4.021 10.094 1.00 0.00 C ATOM 1500 O THR A 101 2.608 -5.068 9.659 1.00 0.00 O ATOM 1501 CB THR A 101 2.223 -4.086 12.587 1.00 0.00 C ATOM 1502 OG1 THR A 101 1.452 -4.078 13.794 1.00 0.00 O ATOM 1503 CG2 THR A 101 3.196 -2.916 12.593 1.00 0.00 C ATOM 0 H THR A 101 0.524 -5.842 12.050 1.00 0.00 H new ATOM 0 HA THR A 101 0.713 -3.091 11.410 1.00 0.00 H new ATOM 0 HB THR A 101 2.794 -5.013 12.527 1.00 0.00 H new ATOM 0 HG1 THR A 101 2.053 -4.125 14.567 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.845 -2.987 13.466 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.802 -2.942 11.687 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.639 -1.980 12.631 1.00 0.00 H new ATOM 1511 N MET A 102 2.311 -2.844 9.504 1.00 0.00 N ATOM 1512 CA MET A 102 3.099 -2.714 8.283 1.00 0.00 C ATOM 1513 C MET A 102 3.975 -1.466 8.332 1.00 0.00 C ATOM 1514 O MET A 102 3.485 -0.359 8.560 1.00 0.00 O ATOM 1515 CB MET A 102 2.180 -2.658 7.061 1.00 0.00 C ATOM 1516 CG MET A 102 1.500 -3.982 6.752 1.00 0.00 C ATOM 1517 SD MET A 102 1.089 -4.160 5.005 1.00 0.00 S ATOM 1518 CE MET A 102 2.308 -5.368 4.492 1.00 0.00 C ATOM 0 H MET A 102 1.922 -1.967 9.851 1.00 0.00 H new ATOM 0 HA MET A 102 3.746 -3.588 8.203 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.417 -1.897 7.224 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.761 -2.346 6.193 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.154 -4.801 7.053 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.590 -4.066 7.346 1.00 0.00 H new ATOM 0 HE1 MET A 102 2.183 -5.583 3.431 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.308 -4.972 4.666 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.176 -6.285 5.066 1.00 0.00 H new ATOM 1528 N LEU A 103 5.273 -1.651 8.117 1.00 0.00 N ATOM 1529 CA LEU A 103 6.218 -0.540 8.137 1.00 0.00 C ATOM 1530 C LEU A 103 6.803 -0.299 6.749 1.00 0.00 C ATOM 1531 O LEU A 103 7.043 -1.241 5.993 1.00 0.00 O ATOM 1532 CB LEU A 103 7.342 -0.819 9.136 1.00 0.00 C ATOM 1533 CG LEU A 103 8.357 0.307 9.335 1.00 0.00 C ATOM 1534 CD1 LEU A 103 8.926 0.270 10.745 1.00 0.00 C ATOM 1535 CD2 LEU A 103 9.473 0.208 8.305 1.00 0.00 C ATOM 0 H LEU A 103 5.695 -2.560 7.927 1.00 0.00 H new ATOM 0 HA LEU A 103 5.681 0.357 8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.893 -1.052 10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.878 -1.711 8.810 1.00 0.00 H new ATOM 0 HG LEU A 103 7.845 1.259 9.196 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.646 1.079 10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.118 0.391 11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.422 -0.686 10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.186 1.017 8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 103 9.982 -0.750 8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.051 0.285 7.303 1.00 0.00 H new ATOM 1547 N ILE A 104 7.033 0.968 6.422 1.00 0.00 N ATOM 1548 CA ILE A 104 7.594 1.333 5.127 1.00 0.00 C ATOM 1549 C ILE A 104 8.880 2.136 5.291 1.00 0.00 C ATOM 1550 O ILE A 104 8.943 3.069 6.090 1.00 0.00 O ATOM 1551 CB ILE A 104 6.594 2.152 4.291 1.00 0.00 C ATOM 1552 CG1 ILE A 104 5.312 1.350 4.058 1.00 0.00 C ATOM 1553 CG2 ILE A 104 7.219 2.558 2.964 1.00 0.00 C ATOM 1554 CD1 ILE A 104 4.199 2.157 3.427 1.00 0.00 C ATOM 0 H ILE A 104 6.840 1.759 7.036 1.00 0.00 H new ATOM 0 HA ILE A 104 7.814 0.402 4.605 1.00 0.00 H new ATOM 0 HB ILE A 104 6.339 3.057 4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.538 0.497 3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.965 0.951 5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.499 3.136 2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.106 3.164 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.500 1.665 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.322 1.524 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.945 2.995 4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.527 2.534 2.458 1.00 0.00 H new ATOM 1566 N ARG A 105 9.903 1.767 4.527 1.00 0.00 N ATOM 1567 CA ARG A 105 11.188 2.453 4.587 1.00 0.00 C ATOM 1568 C ARG A 105 11.539 3.070 3.236 1.00 0.00 C ATOM 1569 O ARG A 105 11.966 2.373 2.316 1.00 0.00 O ATOM 1570 CB ARG A 105 12.289 1.482 5.017 1.00 0.00 C ATOM 1571 CG ARG A 105 13.567 2.171 5.466 1.00 0.00 C ATOM 1572 CD ARG A 105 14.618 1.164 5.907 1.00 0.00 C ATOM 1573 NE ARG A 105 14.499 0.835 7.325 1.00 0.00 N ATOM 1574 CZ ARG A 105 15.019 -0.259 7.872 1.00 0.00 C ATOM 1575 NH1 ARG A 105 15.689 -1.124 7.123 1.00 0.00 N ATOM 1576 NH2 ARG A 105 14.868 -0.489 9.170 1.00 0.00 N ATOM 0 H ARG A 105 9.867 0.997 3.859 1.00 0.00 H new ATOM 0 HA ARG A 105 11.110 3.253 5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.916 0.860 5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.518 0.815 4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.961 2.776 4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.345 2.851 6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.520 0.255 5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 105 15.611 1.567 5.710 1.00 0.00 H new ATOM 0 HE ARG A 105 13.989 1.480 7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.806 -0.951 6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 105 16.087 -1.963 7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 105 14.352 0.174 9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 105 15.267 -1.329 9.589 1.00 0.00 H new ATOM 1590 N VAL A 106 11.354 4.381 3.124 1.00 0.00 N ATOM 1591 CA VAL A 106 11.651 5.093 1.887 1.00 0.00 C ATOM 1592 C VAL A 106 13.134 5.429 1.789 1.00 0.00 C ATOM 1593 O VAL A 106 13.837 5.490 2.798 1.00 0.00 O ATOM 1594 CB VAL A 106 10.833 6.393 1.777 1.00 0.00 C ATOM 1595 CG1 VAL A 106 9.347 6.083 1.672 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.114 7.301 2.965 1.00 0.00 C ATOM 0 H VAL A 106 10.999 4.972 3.876 1.00 0.00 H new ATOM 0 HA VAL A 106 11.377 4.430 1.067 1.00 0.00 H new ATOM 0 HB VAL A 106 11.135 6.916 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.786 7.014 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.164 5.475 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.025 5.538 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.528 8.215 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 106 10.841 6.788 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.175 7.551 2.989 1.00 0.00 H new ATOM 1606 N LYS A 107 13.606 5.647 0.566 1.00 0.00 N ATOM 1607 CA LYS A 107 15.007 5.979 0.333 1.00 0.00 C ATOM 1608 C LYS A 107 15.448 7.132 1.229 1.00 0.00 C ATOM 1609 O LYS A 107 16.385 6.997 2.017 1.00 0.00 O ATOM 1610 CB LYS A 107 15.228 6.347 -1.135 1.00 0.00 C ATOM 1611 CG LYS A 107 16.628 6.034 -1.637 1.00 0.00 C ATOM 1612 CD LYS A 107 17.624 7.098 -1.208 1.00 0.00 C ATOM 1613 CE LYS A 107 19.054 6.588 -1.291 1.00 0.00 C ATOM 1614 NZ LYS A 107 19.511 6.443 -2.701 1.00 0.00 N ATOM 0 H LYS A 107 13.038 5.600 -0.280 1.00 0.00 H new ATOM 0 HA LYS A 107 15.608 5.102 0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 107 14.503 5.812 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.033 7.411 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 107 16.944 5.063 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 107 16.618 5.961 -2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 107 17.513 7.978 -1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 107 17.407 7.411 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 107 19.716 7.275 -0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 107 19.126 5.625 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 20.490 6.093 -2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 18.895 5.768 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 19.467 7.367 -3.177 1.00 0.00 H new ATOM 1628 N THR A 108 14.767 8.267 1.105 1.00 0.00 N ATOM 1629 CA THR A 108 15.088 9.443 1.904 1.00 0.00 C ATOM 1630 C THR A 108 13.973 9.757 2.894 1.00 0.00 C ATOM 1631 O THR A 108 12.802 9.480 2.633 1.00 0.00 O ATOM 1632 CB THR A 108 15.332 10.676 1.014 1.00 0.00 C ATOM 1633 OG1 THR A 108 15.492 11.844 1.828 1.00 0.00 O ATOM 1634 CG2 THR A 108 14.178 10.882 0.045 1.00 0.00 C ATOM 0 H THR A 108 13.989 8.397 0.458 1.00 0.00 H new ATOM 0 HA THR A 108 16.001 9.213 2.452 1.00 0.00 H new ATOM 0 HB THR A 108 16.242 10.506 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 108 15.648 12.623 1.255 1.00 0.00 H new ATOM 0 HG21 THR A 108 14.374 11.759 -0.573 1.00 0.00 H new ATOM 0 HG22 THR A 108 14.077 10.004 -0.593 1.00 0.00 H new ATOM 0 HG23 THR A 108 13.255 11.031 0.605 1.00 0.00 H new ATOM 1642 N SER A 109 14.343 10.338 4.031 1.00 0.00 N ATOM 1643 CA SER A 109 13.373 10.687 5.062 1.00 0.00 C ATOM 1644 C SER A 109 12.314 11.638 4.512 1.00 0.00 C ATOM 1645 O SER A 109 11.116 11.411 4.675 1.00 0.00 O ATOM 1646 CB SER A 109 14.078 11.328 6.259 1.00 0.00 C ATOM 1647 OG SER A 109 14.494 12.649 5.959 1.00 0.00 O ATOM 0 H SER A 109 15.308 10.577 4.261 1.00 0.00 H new ATOM 0 HA SER A 109 12.880 9.771 5.387 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.405 11.341 7.117 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.942 10.726 6.541 1.00 0.00 H new ATOM 0 HG SER A 109 14.940 13.037 6.741 1.00 0.00 H new ATOM 1653 N GLU A 110 12.767 12.704 3.859 1.00 0.00 N ATOM 1654 CA GLU A 110 11.859 13.690 3.286 1.00 0.00 C ATOM 1655 C GLU A 110 10.695 13.008 2.572 1.00 0.00 C ATOM 1656 O GLU A 110 9.537 13.388 2.746 1.00 0.00 O ATOM 1657 CB GLU A 110 12.608 14.599 2.309 1.00 0.00 C ATOM 1658 CG GLU A 110 13.050 13.894 1.038 1.00 0.00 C ATOM 1659 CD GLU A 110 14.126 14.658 0.291 1.00 0.00 C ATOM 1660 OE1 GLU A 110 14.813 15.487 0.923 1.00 0.00 O ATOM 1661 OE2 GLU A 110 14.280 14.426 -0.927 1.00 0.00 O ATOM 0 H GLU A 110 13.756 12.906 3.714 1.00 0.00 H new ATOM 0 HA GLU A 110 11.460 14.294 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 110 11.967 15.440 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.484 15.012 2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 110 13.423 12.901 1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 110 12.188 13.756 0.385 1.00 0.00 H new ATOM 1668 N ASP A 111 11.012 12.000 1.767 1.00 0.00 N ATOM 1669 CA ASP A 111 9.994 11.264 1.026 1.00 0.00 C ATOM 1670 C ASP A 111 8.891 10.774 1.959 1.00 0.00 C ATOM 1671 O ASP A 111 7.706 10.881 1.645 1.00 0.00 O ATOM 1672 CB ASP A 111 10.624 10.078 0.294 1.00 0.00 C ATOM 1673 CG ASP A 111 11.089 10.441 -1.103 1.00 0.00 C ATOM 1674 OD1 ASP A 111 10.563 11.423 -1.666 1.00 0.00 O ATOM 1675 OD2 ASP A 111 11.980 9.743 -1.632 1.00 0.00 O ATOM 0 H ASP A 111 11.966 11.674 1.611 1.00 0.00 H new ATOM 0 HA ASP A 111 9.552 11.940 0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.471 9.707 0.871 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.900 9.266 0.233 1.00 0.00 H new ATOM 1680 N ALA A 112 9.290 10.236 3.107 1.00 0.00 N ATOM 1681 CA ALA A 112 8.336 9.730 4.086 1.00 0.00 C ATOM 1682 C ALA A 112 7.336 10.810 4.486 1.00 0.00 C ATOM 1683 O ALA A 112 6.125 10.590 4.455 1.00 0.00 O ATOM 1684 CB ALA A 112 9.066 9.204 5.312 1.00 0.00 C ATOM 0 H ALA A 112 10.268 10.139 3.382 1.00 0.00 H new ATOM 0 HA ALA A 112 7.783 8.910 3.628 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.341 8.829 6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 112 9.736 8.396 5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.645 10.009 5.764 1.00 0.00 H new ATOM 1690 N ASP A 113 7.850 11.975 4.862 1.00 0.00 N ATOM 1691 CA ASP A 113 7.002 13.090 5.268 1.00 0.00 C ATOM 1692 C ASP A 113 5.832 13.262 4.304 1.00 0.00 C ATOM 1693 O ASP A 113 4.723 13.602 4.714 1.00 0.00 O ATOM 1694 CB ASP A 113 7.818 14.382 5.336 1.00 0.00 C ATOM 1695 CG ASP A 113 6.953 15.600 5.595 1.00 0.00 C ATOM 1696 OD1 ASP A 113 6.520 15.784 6.752 1.00 0.00 O ATOM 1697 OD2 ASP A 113 6.709 16.369 4.642 1.00 0.00 O ATOM 0 H ASP A 113 8.850 12.172 4.894 1.00 0.00 H new ATOM 0 HA ASP A 113 6.604 12.869 6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.565 14.296 6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.359 14.517 4.399 1.00 0.00 H new ATOM 1702 N GLU A 114 6.090 13.027 3.021 1.00 0.00 N ATOM 1703 CA GLU A 114 5.058 13.159 1.999 1.00 0.00 C ATOM 1704 C GLU A 114 4.113 11.961 2.022 1.00 0.00 C ATOM 1705 O GLU A 114 2.935 12.092 2.355 1.00 0.00 O ATOM 1706 CB GLU A 114 5.695 13.293 0.614 1.00 0.00 C ATOM 1707 CG GLU A 114 5.877 14.733 0.165 1.00 0.00 C ATOM 1708 CD GLU A 114 4.623 15.564 0.350 1.00 0.00 C ATOM 1709 OE1 GLU A 114 3.700 15.438 -0.482 1.00 0.00 O ATOM 1710 OE2 GLU A 114 4.564 16.342 1.325 1.00 0.00 O ATOM 0 H GLU A 114 7.003 12.745 2.665 1.00 0.00 H new ATOM 0 HA GLU A 114 4.482 14.059 2.215 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.666 12.798 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.075 12.770 -0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.694 15.185 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.167 14.748 -0.886 1.00 0.00 H new ATOM 1717 N LEU A 115 4.638 10.794 1.665 1.00 0.00 N ATOM 1718 CA LEU A 115 3.842 9.572 1.644 1.00 0.00 C ATOM 1719 C LEU A 115 2.815 9.571 2.772 1.00 0.00 C ATOM 1720 O LEU A 115 1.640 9.272 2.555 1.00 0.00 O ATOM 1721 CB LEU A 115 4.750 8.346 1.766 1.00 0.00 C ATOM 1722 CG LEU A 115 4.060 7.034 2.140 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.119 6.591 1.031 1.00 0.00 C ATOM 1724 CD2 LEU A 115 5.091 5.953 2.431 1.00 0.00 C ATOM 0 H LEU A 115 5.611 10.668 1.386 1.00 0.00 H new ATOM 0 HA LEU A 115 3.311 9.531 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.265 8.204 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.514 8.558 2.514 1.00 0.00 H new ATOM 0 HG LEU A 115 3.472 7.199 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.637 5.656 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.360 7.356 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.685 6.443 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.582 5.026 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.706 5.789 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.725 6.268 3.260 1.00 0.00 H new ATOM 1736 N HIS A 116 3.265 9.910 3.976 1.00 0.00 N ATOM 1737 CA HIS A 116 2.383 9.952 5.137 1.00 0.00 C ATOM 1738 C HIS A 116 1.328 11.043 4.980 1.00 0.00 C ATOM 1739 O HIS A 116 0.128 10.770 5.008 1.00 0.00 O ATOM 1740 CB HIS A 116 3.194 10.191 6.411 1.00 0.00 C ATOM 1741 CG HIS A 116 2.415 9.960 7.669 1.00 0.00 C ATOM 1742 ND1 HIS A 116 1.992 10.984 8.490 1.00 0.00 N ATOM 1743 CD2 HIS A 116 1.981 8.815 8.245 1.00 0.00 C ATOM 1744 CE1 HIS A 116 1.333 10.478 9.517 1.00 0.00 C ATOM 1745 NE2 HIS A 116 1.312 9.163 9.392 1.00 0.00 N ATOM 0 H HIS A 116 4.234 10.159 4.173 1.00 0.00 H new ATOM 0 HA HIS A 116 1.876 8.990 5.212 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.064 9.534 6.406 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.567 11.215 6.407 1.00 0.00 H new ATOM 0 HD1 HIS A 116 2.161 11.977 8.329 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.133 7.813 7.872 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.887 11.043 10.322 1.00 0.00 H new ATOM 1753 N LYS A 117 1.784 12.280 4.814 1.00 0.00 N ATOM 1754 CA LYS A 117 0.881 13.413 4.652 1.00 0.00 C ATOM 1755 C LYS A 117 -0.156 13.131 3.569 1.00 0.00 C ATOM 1756 O LYS A 117 -1.355 13.069 3.846 1.00 0.00 O ATOM 1757 CB LYS A 117 1.671 14.675 4.299 1.00 0.00 C ATOM 1758 CG LYS A 117 2.115 15.474 5.513 1.00 0.00 C ATOM 1759 CD LYS A 117 2.593 16.862 5.123 1.00 0.00 C ATOM 1760 CE LYS A 117 1.426 17.784 4.803 1.00 0.00 C ATOM 1761 NZ LYS A 117 0.889 18.443 6.026 1.00 0.00 N ATOM 0 H LYS A 117 2.774 12.523 4.788 1.00 0.00 H new ATOM 0 HA LYS A 117 0.361 13.569 5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.550 14.393 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.058 15.311 3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.287 15.558 6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.917 14.943 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.182 17.287 5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.251 16.791 4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.748 18.545 4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.633 17.212 4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.095 19.063 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.558 17.718 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.638 19.009 6.473 1.00 0.00 H new ATOM 1775 N ILE A 118 0.312 12.962 2.337 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.575 12.684 1.215 1.00 0.00 C ATOM 1777 C ILE A 118 -1.618 11.635 1.585 1.00 0.00 C ATOM 1778 O ILE A 118 -2.797 11.772 1.255 1.00 0.00 O ATOM 1779 CB ILE A 118 0.211 12.198 -0.017 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.178 13.284 -0.493 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.745 11.805 -1.134 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.396 12.738 -1.205 1.00 0.00 C ATOM 0 H ILE A 118 1.301 13.013 2.091 1.00 0.00 H new ATOM 0 HA ILE A 118 -1.076 13.620 0.970 1.00 0.00 H new ATOM 0 HB ILE A 118 0.791 11.319 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 118 0.649 13.962 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.502 13.872 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -0.175 11.464 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.397 11.002 -0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -1.349 12.667 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.037 13.563 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.948 12.083 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 118 2.082 12.174 -2.083 1.00 0.00 H new ATOM 1794 N LEU A 119 -1.177 10.587 2.273 1.00 0.00 N ATOM 1795 CA LEU A 119 -2.073 9.514 2.691 1.00 0.00 C ATOM 1796 C LEU A 119 -3.157 10.042 3.625 1.00 0.00 C ATOM 1797 O LEU A 119 -4.283 9.543 3.632 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.282 8.404 3.385 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.560 7.418 2.466 1.00 0.00 C ATOM 1800 CD1 LEU A 119 0.515 6.664 3.231 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -1.553 6.448 1.841 1.00 0.00 C ATOM 0 H LEU A 119 -0.205 10.458 2.553 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.553 9.108 1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.544 8.867 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.965 7.842 4.022 1.00 0.00 H new ATOM 0 HG LEU A 119 -0.079 7.981 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.018 5.967 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.242 7.372 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.058 6.112 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.022 5.753 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -2.062 5.891 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.287 7.004 1.257 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.811 11.056 4.411 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.755 11.654 5.348 1.00 0.00 C ATOM 1815 C LEU A 120 -4.664 12.655 4.641 1.00 0.00 C ATOM 1816 O LEU A 120 -5.839 12.787 4.980 1.00 0.00 O ATOM 1817 CB LEU A 120 -3.005 12.346 6.487 1.00 0.00 C ATOM 1818 CG LEU A 120 -2.260 11.426 7.456 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -1.497 12.243 8.487 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -3.231 10.474 8.140 1.00 0.00 C ATOM 0 H LEU A 120 -1.884 11.481 4.418 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.374 10.857 5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.287 13.041 6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.719 12.940 7.058 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.542 10.835 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.973 11.572 9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.774 12.883 7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.196 12.860 9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.684 9.827 8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.972 11.048 8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.733 9.864 7.389 1.00 0.00 H new ATOM 1832 N GLU A 121 -4.110 13.357 3.657 1.00 0.00 N ATOM 1833 CA GLU A 121 -4.872 14.344 2.902 1.00 0.00 C ATOM 1834 C GLU A 121 -5.881 13.665 1.980 1.00 0.00 C ATOM 1835 O GLU A 121 -7.038 14.078 1.894 1.00 0.00 O ATOM 1836 CB GLU A 121 -3.931 15.229 2.082 1.00 0.00 C ATOM 1837 CG GLU A 121 -3.270 16.330 2.893 1.00 0.00 C ATOM 1838 CD GLU A 121 -4.138 17.568 3.013 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -5.053 17.571 3.863 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -3.902 18.533 2.257 1.00 0.00 O ATOM 0 H GLU A 121 -3.138 13.260 3.365 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.417 14.965 3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.158 14.605 1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -4.491 15.679 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.040 15.954 3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -2.322 16.599 2.428 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.434 12.620 1.291 1.00 0.00 N ATOM 1848 CA LYS A 122 -6.296 11.881 0.376 1.00 0.00 C ATOM 1849 C LYS A 122 -7.521 11.335 1.103 1.00 0.00 C ATOM 1850 O LYS A 122 -8.649 11.475 0.631 1.00 0.00 O ATOM 1851 CB LYS A 122 -5.520 10.732 -0.272 1.00 0.00 C ATOM 1852 CG LYS A 122 -4.406 11.195 -1.196 1.00 0.00 C ATOM 1853 CD LYS A 122 -4.958 11.787 -2.481 1.00 0.00 C ATOM 1854 CE LYS A 122 -5.255 10.707 -3.510 1.00 0.00 C ATOM 1855 NZ LYS A 122 -5.372 11.268 -4.885 1.00 0.00 N ATOM 0 H LYS A 122 -4.479 12.266 1.349 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.633 12.568 -0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.094 10.105 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.214 10.109 -0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.794 11.938 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.755 10.354 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.869 12.345 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.241 12.497 -2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.463 9.958 -3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.182 10.198 -3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -5.575 10.501 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.144 11.964 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.479 11.732 -5.148 1.00 0.00 H new ATOM 1869 N LYS A 123 -7.291 10.714 2.255 1.00 0.00 N ATOM 1870 CA LYS A 123 -8.376 10.149 3.049 1.00 0.00 C ATOM 1871 C LYS A 123 -9.292 11.248 3.577 1.00 0.00 C ATOM 1872 O LYS A 123 -10.503 11.056 3.694 1.00 0.00 O ATOM 1873 CB LYS A 123 -7.811 9.336 4.216 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.970 10.158 5.178 1.00 0.00 C ATOM 1875 CD LYS A 123 -6.747 9.424 6.490 1.00 0.00 C ATOM 1876 CE LYS A 123 -5.586 8.446 6.392 1.00 0.00 C ATOM 1877 NZ LYS A 123 -5.990 7.170 5.738 1.00 0.00 N ATOM 0 H LYS A 123 -6.363 10.589 2.660 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.960 9.491 2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -8.636 8.882 4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -7.204 8.521 3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -6.008 10.385 4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.463 11.110 5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -6.550 10.146 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -7.654 8.887 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -4.773 8.902 5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -5.202 8.237 7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -5.666 6.367 6.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.026 7.138 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -5.560 7.113 4.793 1.00 0.00 H new ATOM 1891 N ASP A 124 -8.708 12.398 3.894 1.00 0.00 N ATOM 1892 CA ASP A 124 -9.473 13.528 4.407 1.00 0.00 C ATOM 1893 C ASP A 124 -10.572 13.931 3.428 1.00 0.00 C ATOM 1894 O ASP A 124 -11.740 14.034 3.799 1.00 0.00 O ATOM 1895 CB ASP A 124 -8.550 14.718 4.674 1.00 0.00 C ATOM 1896 CG ASP A 124 -7.804 14.589 5.988 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -7.757 13.467 6.536 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -7.268 15.609 6.468 1.00 0.00 O ATOM 0 H ASP A 124 -7.707 12.572 3.805 1.00 0.00 H new ATOM 0 HA ASP A 124 -9.940 13.223 5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -7.832 14.807 3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.138 15.636 4.682 1.00 0.00 H new ATOM 1903 N ALA A 125 -10.187 14.157 2.176 1.00 0.00 N ATOM 1904 CA ALA A 125 -11.139 14.548 1.143 1.00 0.00 C ATOM 1905 C ALA A 125 -11.897 13.337 0.609 1.00 0.00 C ATOM 1906 O ALA A 125 -11.304 12.291 0.341 1.00 0.00 O ATOM 1907 CB ALA A 125 -10.422 15.267 0.010 1.00 0.00 C ATOM 0 H ALA A 125 -9.223 14.076 1.853 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.864 15.229 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -11.145 15.553 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -9.932 16.160 0.398 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.675 14.604 -0.427 1.00 0.00 H new