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 79 ASN : amide:sc= -3.4! C(o=-4.4!,f=-5.8!) USER MOD Set 1.2: A 80 ASN : amide:sc= -1.01 K(o=-4.4,f=-7.1) USER MOD Set 2.1: A 73 CYS SG : rot 27:sc= -1.78! USER MOD Set 2.2: A 116 HIS : no HE2:sc= -3.37 K(o=-5.2,f=-11!) USER MOD Set 3.1: A 48 THR OG1 : rot 120:sc= -0.337 USER MOD Set 3.2: A 122 LYS NZ :NH3+ -137:sc= 1.16 (180deg=0) USER MOD Set 4.1: A 43 THR OG1 : rot 164:sc= 0.546 USER MOD Set 4.2: A 45 ASN : amide:sc= -2.36 K(o=-1.8,f=-16!) USER MOD Set 5.1: A 17 SER OG : rot -76:sc= 0.636 USER MOD Set 5.2: A 39 HIS : no HD1:sc= 0.548 K(o=1.2,f=-0.48) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -143:sc= 0.208 (180deg=0.00546) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc=-0.00175 X(o=-0.0018,f=-0.17) 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+ -170:sc= -1.21 (180deg=-1.51) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= -0.394 (180deg=-1.24) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc=-0.00739 X(o=-0.0074,f=-0.0076) USER MOD Single : A 64 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.6!) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 25:sc= 1.21 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 14:sc= -0.157 USER MOD Single : A 88 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.9!) USER MOD Single : A 94 LYS NZ :NH3+ 160:sc= -0.0293 (180deg=-0.28) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 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= -0.711 USER MOD Single : A 109 SER OG : rot 180:sc=-0.00143 USER MOD Single : A 117 LYS NZ :NH3+ -158:sc= -0.104 (180deg=-0.841) USER MOD Single : A 123 LYS NZ :NH3+ -164:sc= -0.781 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 14 -0.134 6.454 -12.750 1.00 0.00 N ATOM 97 CA ALA A 14 -0.108 6.834 -11.343 1.00 0.00 C ATOM 98 C ALA A 14 0.553 8.195 -11.153 1.00 0.00 C ATOM 99 O ALA A 14 1.400 8.601 -11.949 1.00 0.00 O ATOM 100 CB ALA A 14 0.614 5.775 -10.523 1.00 0.00 C ATOM 0 HA ALA A 14 -1.138 6.908 -10.994 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.626 6.072 -9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.096 4.821 -10.624 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.638 5.672 -10.882 1.00 0.00 H new ATOM 106 N PHE A 15 0.161 8.896 -10.095 1.00 0.00 N ATOM 107 CA PHE A 15 0.715 10.213 -9.802 1.00 0.00 C ATOM 108 C PHE A 15 1.889 10.106 -8.833 1.00 0.00 C ATOM 109 O PHE A 15 2.953 10.680 -9.064 1.00 0.00 O ATOM 110 CB PHE A 15 -0.364 11.125 -9.215 1.00 0.00 C ATOM 111 CG PHE A 15 -1.047 10.546 -8.009 1.00 0.00 C ATOM 112 CD1 PHE A 15 -0.529 10.747 -6.740 1.00 0.00 C ATOM 113 CD2 PHE A 15 -2.207 9.799 -8.145 1.00 0.00 C ATOM 114 CE1 PHE A 15 -1.156 10.216 -5.628 1.00 0.00 C ATOM 115 CE2 PHE A 15 -2.837 9.266 -7.036 1.00 0.00 C ATOM 116 CZ PHE A 15 -2.311 9.473 -5.777 1.00 0.00 C ATOM 0 H PHE A 15 -0.538 8.574 -9.426 1.00 0.00 H new ATOM 0 HA PHE A 15 1.076 10.644 -10.736 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.087 12.080 -8.944 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.111 11.331 -9.982 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.375 11.325 -6.618 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.623 9.632 -9.128 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.743 10.382 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.741 8.687 -7.155 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.801 9.055 -4.910 1.00 0.00 H new ATOM 126 N TYR A 16 1.686 9.367 -7.748 1.00 0.00 N ATOM 127 CA TYR A 16 2.726 9.186 -6.741 1.00 0.00 C ATOM 128 C TYR A 16 3.504 7.898 -6.987 1.00 0.00 C ATOM 129 O TYR A 16 2.959 6.799 -6.878 1.00 0.00 O ATOM 130 CB TYR A 16 2.111 9.164 -5.341 1.00 0.00 C ATOM 131 CG TYR A 16 3.130 9.010 -4.234 1.00 0.00 C ATOM 132 CD1 TYR A 16 3.763 10.118 -3.686 1.00 0.00 C ATOM 133 CD2 TYR A 16 3.458 7.755 -3.736 1.00 0.00 C ATOM 134 CE1 TYR A 16 4.695 9.981 -2.676 1.00 0.00 C ATOM 135 CE2 TYR A 16 4.388 7.609 -2.725 1.00 0.00 C ATOM 136 CZ TYR A 16 5.004 8.725 -2.199 1.00 0.00 C ATOM 137 OH TYR A 16 5.931 8.585 -1.191 1.00 0.00 O ATOM 0 H TYR A 16 0.811 8.884 -7.543 1.00 0.00 H new ATOM 0 HA TYR A 16 3.417 10.026 -6.814 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.553 10.087 -5.184 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.395 8.344 -5.281 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.522 11.104 -4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.978 6.879 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.179 10.853 -2.262 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.631 6.626 -2.349 1.00 0.00 H new ATOM 0 HH TYR A 16 6.033 7.636 -0.970 1.00 0.00 H new ATOM 147 N SER A 17 4.783 8.041 -7.319 1.00 0.00 N ATOM 148 CA SER A 17 5.638 6.890 -7.584 1.00 0.00 C ATOM 149 C SER A 17 6.968 7.020 -6.849 1.00 0.00 C ATOM 150 O SER A 17 7.831 7.808 -7.235 1.00 0.00 O ATOM 151 CB SER A 17 5.885 6.747 -9.087 1.00 0.00 C ATOM 152 OG SER A 17 4.668 6.572 -9.790 1.00 0.00 O ATOM 0 H SER A 17 5.250 8.943 -7.411 1.00 0.00 H new ATOM 0 HA SER A 17 5.128 5.998 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.400 7.633 -9.460 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.541 5.896 -9.271 1.00 0.00 H new ATOM 0 HG SER A 17 4.344 5.657 -9.659 1.00 0.00 H new ATOM 158 N LYS A 18 7.127 6.240 -5.784 1.00 0.00 N ATOM 159 CA LYS A 18 8.351 6.265 -4.993 1.00 0.00 C ATOM 160 C LYS A 18 8.729 4.861 -4.531 1.00 0.00 C ATOM 161 O LYS A 18 7.923 4.160 -3.919 1.00 0.00 O ATOM 162 CB LYS A 18 8.181 7.184 -3.781 1.00 0.00 C ATOM 163 CG LYS A 18 9.486 7.507 -3.075 1.00 0.00 C ATOM 164 CD LYS A 18 10.288 8.550 -3.836 1.00 0.00 C ATOM 165 CE LYS A 18 9.895 9.962 -3.428 1.00 0.00 C ATOM 166 NZ LYS A 18 10.789 10.985 -4.038 1.00 0.00 N ATOM 0 H LYS A 18 6.422 5.583 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 18 9.153 6.649 -5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.712 8.114 -4.103 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.501 6.713 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.276 7.871 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.078 6.598 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.351 8.399 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.130 8.422 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.865 10.154 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.931 10.049 -2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.488 11.934 -3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.768 10.818 -3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.736 10.919 -5.075 1.00 0.00 H new ATOM 180 N LYS A 19 9.960 4.457 -4.826 1.00 0.00 N ATOM 181 CA LYS A 19 10.447 3.138 -4.439 1.00 0.00 C ATOM 182 C LYS A 19 10.518 3.009 -2.921 1.00 0.00 C ATOM 183 O LYS A 19 10.890 3.954 -2.225 1.00 0.00 O ATOM 184 CB LYS A 19 11.827 2.882 -5.049 1.00 0.00 C ATOM 185 CG LYS A 19 12.972 3.418 -4.207 1.00 0.00 C ATOM 186 CD LYS A 19 13.016 4.936 -4.226 1.00 0.00 C ATOM 187 CE LYS A 19 13.608 5.460 -5.526 1.00 0.00 C ATOM 188 NZ LYS A 19 15.095 5.393 -5.525 1.00 0.00 N ATOM 0 H LYS A 19 10.639 5.025 -5.332 1.00 0.00 H new ATOM 0 HA LYS A 19 9.746 2.394 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.960 1.809 -5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.869 3.339 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.864 3.069 -3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.916 3.021 -4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.009 5.332 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.609 5.295 -3.384 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.219 4.879 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.291 6.492 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.460 5.759 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.468 5.968 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.398 4.405 -5.404 1.00 0.00 H new ATOM 202 N CYS A 20 10.160 1.834 -2.415 1.00 0.00 N ATOM 203 CA CYS A 20 10.184 1.581 -0.979 1.00 0.00 C ATOM 204 C CYS A 20 10.160 0.083 -0.690 1.00 0.00 C ATOM 205 O CYS A 20 10.034 -0.734 -1.602 1.00 0.00 O ATOM 206 CB CYS A 20 8.995 2.262 -0.300 1.00 0.00 C ATOM 207 SG CYS A 20 7.383 1.687 -0.883 1.00 0.00 S ATOM 0 H CYS A 20 9.850 1.042 -2.978 1.00 0.00 H new ATOM 0 HA CYS A 20 11.109 1.996 -0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 20 9.061 2.096 0.775 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.065 3.338 -0.462 1.00 0.00 H new ATOM 0 HG CYS A 20 6.441 2.320 -0.248 1.00 0.00 H new ATOM 213 N LYS A 21 10.284 -0.270 0.585 1.00 0.00 N ATOM 214 CA LYS A 21 10.278 -1.669 0.996 1.00 0.00 C ATOM 215 C LYS A 21 9.135 -1.946 1.967 1.00 0.00 C ATOM 216 O LYS A 21 8.828 -1.123 2.831 1.00 0.00 O ATOM 217 CB LYS A 21 11.614 -2.037 1.645 1.00 0.00 C ATOM 218 CG LYS A 21 12.643 -2.567 0.660 1.00 0.00 C ATOM 219 CD LYS A 21 13.911 -3.016 1.367 1.00 0.00 C ATOM 220 CE LYS A 21 14.919 -1.882 1.475 1.00 0.00 C ATOM 221 NZ LYS A 21 15.825 -1.830 0.294 1.00 0.00 N ATOM 0 H LYS A 21 10.390 0.394 1.352 1.00 0.00 H new ATOM 0 HA LYS A 21 10.132 -2.282 0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.020 -1.157 2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.440 -2.788 2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.219 -3.404 0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.885 -1.792 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.664 -3.381 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.356 -3.850 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.390 -0.934 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.511 -2.008 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.497 -1.044 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.349 -2.725 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.263 -1.684 -0.569 1.00 0.00 H new ATOM 235 N LEU A 22 8.510 -3.109 1.822 1.00 0.00 N ATOM 236 CA LEU A 22 7.401 -3.494 2.689 1.00 0.00 C ATOM 237 C LEU A 22 7.888 -4.376 3.835 1.00 0.00 C ATOM 238 O LEU A 22 8.757 -5.228 3.651 1.00 0.00 O ATOM 239 CB LEU A 22 6.331 -4.231 1.882 1.00 0.00 C ATOM 240 CG LEU A 22 5.237 -3.359 1.265 1.00 0.00 C ATOM 241 CD1 LEU A 22 4.312 -4.198 0.397 1.00 0.00 C ATOM 242 CD2 LEU A 22 4.448 -2.644 2.352 1.00 0.00 C ATOM 0 H LEU A 22 8.752 -3.802 1.113 1.00 0.00 H new ATOM 0 HA LEU A 22 6.969 -2.587 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.824 -4.782 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.858 -4.968 2.531 1.00 0.00 H new ATOM 0 HG LEU A 22 5.711 -2.607 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.540 -3.561 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.887 -4.663 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.845 -4.973 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.674 -2.028 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.985 -3.380 3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.119 -2.011 2.932 1.00 0.00 H new ATOM 254 N PHE A 23 7.320 -4.166 5.018 1.00 0.00 N ATOM 255 CA PHE A 23 7.694 -4.942 6.194 1.00 0.00 C ATOM 256 C PHE A 23 6.467 -5.280 7.036 1.00 0.00 C ATOM 257 O PHE A 23 5.724 -4.391 7.454 1.00 0.00 O ATOM 258 CB PHE A 23 8.710 -4.170 7.039 1.00 0.00 C ATOM 259 CG PHE A 23 10.058 -4.045 6.389 1.00 0.00 C ATOM 260 CD1 PHE A 23 11.024 -5.021 6.574 1.00 0.00 C ATOM 261 CD2 PHE A 23 10.361 -2.951 5.595 1.00 0.00 C ATOM 262 CE1 PHE A 23 12.266 -4.910 5.977 1.00 0.00 C ATOM 263 CE2 PHE A 23 11.601 -2.834 4.996 1.00 0.00 C ATOM 264 CZ PHE A 23 12.555 -3.814 5.188 1.00 0.00 C ATOM 0 H PHE A 23 6.599 -3.465 5.187 1.00 0.00 H new ATOM 0 HA PHE A 23 8.147 -5.873 5.855 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.319 -3.173 7.242 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.824 -4.669 8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.804 -5.879 7.192 1.00 0.00 H new ATOM 0 HD2 PHE A 23 9.620 -2.181 5.442 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.009 -5.679 6.127 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.824 -1.977 4.378 1.00 0.00 H new ATOM 0 HZ PHE A 23 13.525 -3.723 4.722 1.00 0.00 H new ATOM 274 N TYR A 24 6.262 -6.569 7.281 1.00 0.00 N ATOM 275 CA TYR A 24 5.124 -7.025 8.070 1.00 0.00 C ATOM 276 C TYR A 24 5.584 -7.602 9.406 1.00 0.00 C ATOM 277 O TYR A 24 6.708 -8.089 9.532 1.00 0.00 O ATOM 278 CB TYR A 24 4.328 -8.077 7.295 1.00 0.00 C ATOM 279 CG TYR A 24 5.135 -9.304 6.936 1.00 0.00 C ATOM 280 CD1 TYR A 24 6.123 -9.249 5.961 1.00 0.00 C ATOM 281 CD2 TYR A 24 4.909 -10.518 7.572 1.00 0.00 C ATOM 282 CE1 TYR A 24 6.862 -10.368 5.629 1.00 0.00 C ATOM 283 CE2 TYR A 24 5.644 -11.642 7.247 1.00 0.00 C ATOM 284 CZ TYR A 24 6.619 -11.562 6.275 1.00 0.00 C ATOM 285 OH TYR A 24 7.354 -12.679 5.949 1.00 0.00 O ATOM 0 H TYR A 24 6.869 -7.317 6.945 1.00 0.00 H new ATOM 0 HA TYR A 24 4.483 -6.166 8.267 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.467 -8.380 7.890 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.941 -7.627 6.381 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.317 -8.315 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.146 -10.585 8.333 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.626 -10.308 4.868 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.456 -12.578 7.752 1.00 0.00 H new ATOM 0 HH TYR A 24 7.059 -13.436 6.497 1.00 0.00 H new ATOM 295 N LYS A 25 4.706 -7.544 10.401 1.00 0.00 N ATOM 296 CA LYS A 25 5.017 -8.061 11.728 1.00 0.00 C ATOM 297 C LYS A 25 4.721 -9.555 11.814 1.00 0.00 C ATOM 298 O LYS A 25 3.569 -9.977 11.710 1.00 0.00 O ATOM 299 CB LYS A 25 4.215 -7.309 12.793 1.00 0.00 C ATOM 300 CG LYS A 25 4.856 -7.336 14.169 1.00 0.00 C ATOM 301 CD LYS A 25 5.796 -6.159 14.370 1.00 0.00 C ATOM 302 CE LYS A 25 6.098 -5.932 15.843 1.00 0.00 C ATOM 303 NZ LYS A 25 6.846 -4.664 16.067 1.00 0.00 N ATOM 0 H LYS A 25 3.772 -7.144 10.313 1.00 0.00 H new ATOM 0 HA LYS A 25 6.081 -7.909 11.909 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.092 -6.272 12.479 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.217 -7.743 12.858 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.079 -7.317 14.934 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.406 -8.268 14.297 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.726 -6.338 13.830 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.350 -5.259 13.946 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.165 -5.907 16.405 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.680 -6.770 16.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.540 -4.800 16.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.340 -4.393 15.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.181 -3.911 16.336 1.00 0.00 H new ATOM 317 N LYS A 26 5.767 -10.351 12.004 1.00 0.00 N ATOM 318 CA LYS A 26 5.619 -11.798 12.107 1.00 0.00 C ATOM 319 C LYS A 26 6.426 -12.346 13.280 1.00 0.00 C ATOM 320 O LYS A 26 7.640 -12.158 13.352 1.00 0.00 O ATOM 321 CB LYS A 26 6.068 -12.471 10.807 1.00 0.00 C ATOM 322 CG LYS A 26 5.949 -13.985 10.833 1.00 0.00 C ATOM 323 CD LYS A 26 5.826 -14.558 9.431 1.00 0.00 C ATOM 324 CE LYS A 26 5.648 -16.068 9.461 1.00 0.00 C ATOM 325 NZ LYS A 26 6.018 -16.696 8.162 1.00 0.00 N ATOM 0 H LYS A 26 6.727 -10.018 12.090 1.00 0.00 H new ATOM 0 HA LYS A 26 4.566 -12.019 12.279 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.471 -12.082 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.105 -12.200 10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.823 -14.411 11.326 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.078 -14.273 11.422 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.977 -14.100 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.716 -14.307 8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.262 -16.490 10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.611 -16.307 9.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.883 -17.725 8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.415 -16.312 7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.015 -16.490 7.948 1.00 0.00 H new ATOM 339 N ASP A 27 5.743 -13.025 14.195 1.00 0.00 N ATOM 340 CA ASP A 27 6.397 -13.603 15.364 1.00 0.00 C ATOM 341 C ASP A 27 7.020 -12.514 16.231 1.00 0.00 C ATOM 342 O ASP A 27 8.123 -12.677 16.752 1.00 0.00 O ATOM 343 CB ASP A 27 7.469 -14.604 14.932 1.00 0.00 C ATOM 344 CG ASP A 27 6.882 -15.941 14.524 1.00 0.00 C ATOM 345 OD1 ASP A 27 6.594 -16.761 15.420 1.00 0.00 O ATOM 346 OD2 ASP A 27 6.710 -16.168 13.307 1.00 0.00 O ATOM 0 H ASP A 27 4.737 -13.189 14.150 1.00 0.00 H new ATOM 0 HA ASP A 27 5.642 -14.123 15.953 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.034 -14.189 14.098 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.173 -14.754 15.751 1.00 0.00 H new ATOM 351 N ASN A 28 6.307 -11.402 16.380 1.00 0.00 N ATOM 352 CA ASN A 28 6.792 -10.285 17.183 1.00 0.00 C ATOM 353 C ASN A 28 8.109 -9.749 16.631 1.00 0.00 C ATOM 354 O ASN A 28 9.034 -9.451 17.386 1.00 0.00 O ATOM 355 CB ASN A 28 6.975 -10.718 18.639 1.00 0.00 C ATOM 356 CG ASN A 28 5.663 -10.757 19.400 1.00 0.00 C ATOM 357 OD1 ASN A 28 4.733 -11.468 19.019 1.00 0.00 O ATOM 358 ND2 ASN A 28 5.584 -9.991 20.481 1.00 0.00 N ATOM 0 H ASN A 28 5.392 -11.250 15.955 1.00 0.00 H new ATOM 0 HA ASN A 28 6.049 -9.489 17.138 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.437 -11.705 18.666 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.660 -10.031 19.136 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.727 -9.976 21.034 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.381 -9.418 20.759 1.00 0.00 H new ATOM 365 N GLU A 29 8.185 -9.629 15.309 1.00 0.00 N ATOM 366 CA GLU A 29 9.389 -9.129 14.656 1.00 0.00 C ATOM 367 C GLU A 29 9.075 -8.615 13.254 1.00 0.00 C ATOM 368 O GLU A 29 8.051 -8.966 12.668 1.00 0.00 O ATOM 369 CB GLU A 29 10.450 -10.229 14.582 1.00 0.00 C ATOM 370 CG GLU A 29 11.862 -9.701 14.391 1.00 0.00 C ATOM 371 CD GLU A 29 12.920 -10.683 14.856 1.00 0.00 C ATOM 372 OE1 GLU A 29 13.193 -11.653 14.119 1.00 0.00 O ATOM 373 OE2 GLU A 29 13.475 -10.481 15.956 1.00 0.00 O ATOM 0 H GLU A 29 7.428 -9.871 14.670 1.00 0.00 H new ATOM 0 HA GLU A 29 9.775 -8.300 15.250 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.413 -10.820 15.497 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.208 -10.901 13.759 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.021 -9.473 13.337 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.973 -8.766 14.940 1.00 0.00 H new ATOM 380 N PHE A 30 9.963 -7.782 12.723 1.00 0.00 N ATOM 381 CA PHE A 30 9.781 -7.218 11.390 1.00 0.00 C ATOM 382 C PHE A 30 10.452 -8.091 10.334 1.00 0.00 C ATOM 383 O PHE A 30 11.645 -8.385 10.421 1.00 0.00 O ATOM 384 CB PHE A 30 10.349 -5.799 11.332 1.00 0.00 C ATOM 385 CG PHE A 30 9.417 -4.757 11.882 1.00 0.00 C ATOM 386 CD1 PHE A 30 8.265 -4.408 11.197 1.00 0.00 C ATOM 387 CD2 PHE A 30 9.694 -4.126 13.084 1.00 0.00 C ATOM 388 CE1 PHE A 30 7.405 -3.450 11.700 1.00 0.00 C ATOM 389 CE2 PHE A 30 8.838 -3.168 13.593 1.00 0.00 C ATOM 390 CZ PHE A 30 7.693 -2.828 12.899 1.00 0.00 C ATOM 0 H PHE A 30 10.816 -7.482 13.195 1.00 0.00 H new ATOM 0 HA PHE A 30 8.712 -7.182 11.180 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.285 -5.768 11.889 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.586 -5.553 10.297 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.036 -4.890 10.258 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.589 -4.386 13.629 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.509 -3.188 11.156 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.064 -2.686 14.532 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.024 -2.077 13.293 1.00 0.00 H new ATOM 400 N LYS A 31 9.678 -8.502 9.336 1.00 0.00 N ATOM 401 CA LYS A 31 10.195 -9.341 8.261 1.00 0.00 C ATOM 402 C LYS A 31 10.156 -8.601 6.927 1.00 0.00 C ATOM 403 O LYS A 31 9.467 -7.591 6.788 1.00 0.00 O ATOM 404 CB LYS A 31 9.386 -10.636 8.162 1.00 0.00 C ATOM 405 CG LYS A 31 9.687 -11.627 9.273 1.00 0.00 C ATOM 406 CD LYS A 31 11.057 -12.261 9.098 1.00 0.00 C ATOM 407 CE LYS A 31 11.087 -13.206 7.906 1.00 0.00 C ATOM 408 NZ LYS A 31 12.278 -14.098 7.935 1.00 0.00 N ATOM 0 H LYS A 31 8.689 -8.268 9.249 1.00 0.00 H new ATOM 0 HA LYS A 31 11.232 -9.585 8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.324 -10.393 8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.588 -11.108 7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.640 -11.120 10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.924 -12.405 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.806 -11.480 8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.325 -12.807 10.003 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.180 -13.811 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.090 -12.626 6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.261 -14.726 7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.144 -13.522 7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.262 -14.670 8.803 1.00 0.00 H new ATOM 422 N GLU A 32 10.898 -9.113 5.950 1.00 0.00 N ATOM 423 CA GLU A 32 10.946 -8.500 4.628 1.00 0.00 C ATOM 424 C GLU A 32 9.909 -9.127 3.700 1.00 0.00 C ATOM 425 O GLU A 32 9.973 -10.317 3.391 1.00 0.00 O ATOM 426 CB GLU A 32 12.343 -8.649 4.023 1.00 0.00 C ATOM 427 CG GLU A 32 12.708 -7.537 3.054 1.00 0.00 C ATOM 428 CD GLU A 32 14.142 -7.633 2.568 1.00 0.00 C ATOM 429 OE1 GLU A 32 15.044 -7.152 3.286 1.00 0.00 O ATOM 430 OE2 GLU A 32 14.361 -8.188 1.472 1.00 0.00 O ATOM 0 H GLU A 32 11.473 -9.949 6.049 1.00 0.00 H new ATOM 0 HA GLU A 32 10.717 -7.440 4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.078 -8.674 4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.405 -9.606 3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.035 -7.571 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.557 -6.573 3.540 1.00 0.00 H new ATOM 437 N LYS A 33 8.952 -8.317 3.258 1.00 0.00 N ATOM 438 CA LYS A 33 7.901 -8.789 2.365 1.00 0.00 C ATOM 439 C LYS A 33 8.388 -8.821 0.920 1.00 0.00 C ATOM 440 O LYS A 33 8.130 -9.776 0.188 1.00 0.00 O ATOM 441 CB LYS A 33 6.666 -7.892 2.478 1.00 0.00 C ATOM 442 CG LYS A 33 5.585 -8.214 1.461 1.00 0.00 C ATOM 443 CD LYS A 33 4.206 -7.836 1.974 1.00 0.00 C ATOM 444 CE LYS A 33 3.107 -8.517 1.173 1.00 0.00 C ATOM 445 NZ LYS A 33 1.788 -8.436 1.860 1.00 0.00 N ATOM 0 H LYS A 33 8.883 -7.330 3.504 1.00 0.00 H new ATOM 0 HA LYS A 33 7.635 -9.803 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.249 -7.986 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.970 -6.852 2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.787 -7.680 0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.608 -9.279 1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.118 -8.115 3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.080 -6.755 1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.033 -8.052 0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.369 -9.563 1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.066 -8.912 1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.851 -8.902 2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.525 -7.438 1.990 1.00 0.00 H new ATOM 459 N GLY A 34 9.097 -7.771 0.516 1.00 0.00 N ATOM 460 CA GLY A 34 9.610 -7.700 -0.840 1.00 0.00 C ATOM 461 C GLY A 34 9.959 -6.284 -1.254 1.00 0.00 C ATOM 462 O GLY A 34 9.251 -5.338 -0.910 1.00 0.00 O ATOM 0 H GLY A 34 9.325 -6.969 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.497 -8.329 -0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.867 -8.104 -1.528 1.00 0.00 H new ATOM 466 N ILE A 35 11.053 -6.139 -1.994 1.00 0.00 N ATOM 467 CA ILE A 35 11.495 -4.828 -2.455 1.00 0.00 C ATOM 468 C ILE A 35 10.803 -4.442 -3.758 1.00 0.00 C ATOM 469 O ILE A 35 10.915 -5.141 -4.763 1.00 0.00 O ATOM 470 CB ILE A 35 13.020 -4.790 -2.665 1.00 0.00 C ATOM 471 CG1 ILE A 35 13.740 -5.372 -1.447 1.00 0.00 C ATOM 472 CG2 ILE A 35 13.482 -3.365 -2.930 1.00 0.00 C ATOM 473 CD1 ILE A 35 15.237 -5.158 -1.471 1.00 0.00 C ATOM 0 H ILE A 35 11.650 -6.913 -2.287 1.00 0.00 H new ATOM 0 HA ILE A 35 11.226 -4.113 -1.678 1.00 0.00 H new ATOM 0 HB ILE A 35 13.268 -5.399 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 35 13.331 -4.920 -0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.535 -6.441 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.562 -3.354 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.991 -2.984 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.225 -2.735 -2.079 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.682 -5.596 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.658 -5.634 -2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.451 -4.090 -1.496 1.00 0.00 H new ATOM 485 N GLY A 36 10.088 -3.321 -3.732 1.00 0.00 N ATOM 486 CA GLY A 36 9.389 -2.860 -4.917 1.00 0.00 C ATOM 487 C GLY A 36 9.073 -1.378 -4.864 1.00 0.00 C ATOM 488 O GLY A 36 9.702 -0.627 -4.119 1.00 0.00 O ATOM 0 H GLY A 36 9.981 -2.724 -2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.997 -3.067 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.462 -3.422 -5.030 1.00 0.00 H new ATOM 492 N THR A 37 8.095 -0.955 -5.659 1.00 0.00 N ATOM 493 CA THR A 37 7.698 0.447 -5.701 1.00 0.00 C ATOM 494 C THR A 37 6.206 0.604 -5.430 1.00 0.00 C ATOM 495 O THR A 37 5.410 -0.280 -5.748 1.00 0.00 O ATOM 496 CB THR A 37 8.030 1.084 -7.064 1.00 0.00 C ATOM 497 OG1 THR A 37 9.424 0.926 -7.351 1.00 0.00 O ATOM 498 CG2 THR A 37 7.669 2.562 -7.073 1.00 0.00 C ATOM 0 H THR A 37 7.564 -1.563 -6.282 1.00 0.00 H new ATOM 0 HA THR A 37 8.262 0.959 -4.921 1.00 0.00 H new ATOM 0 HB THR A 37 7.442 0.578 -7.830 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.627 1.332 -8.220 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.912 2.990 -8.045 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.602 2.677 -6.883 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.234 3.079 -6.297 1.00 0.00 H new ATOM 506 N LEU A 38 5.832 1.735 -4.842 1.00 0.00 N ATOM 507 CA LEU A 38 4.434 2.009 -4.528 1.00 0.00 C ATOM 508 C LEU A 38 3.819 2.951 -5.559 1.00 0.00 C ATOM 509 O LEU A 38 4.467 3.890 -6.021 1.00 0.00 O ATOM 510 CB LEU A 38 4.314 2.618 -3.130 1.00 0.00 C ATOM 511 CG LEU A 38 2.892 2.869 -2.627 1.00 0.00 C ATOM 512 CD1 LEU A 38 2.835 2.761 -1.111 1.00 0.00 C ATOM 513 CD2 LEU A 38 2.399 4.234 -3.085 1.00 0.00 C ATOM 0 H LEU A 38 6.478 2.477 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 38 3.890 1.065 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.817 1.957 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.854 3.565 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 38 2.237 2.107 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.815 2.943 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.147 1.762 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.502 3.501 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.385 4.397 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.056 5.009 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.402 4.275 -4.174 1.00 0.00 H new ATOM 525 N HIS A 39 2.564 2.693 -5.914 1.00 0.00 N ATOM 526 CA HIS A 39 1.861 3.520 -6.888 1.00 0.00 C ATOM 527 C HIS A 39 0.465 3.880 -6.388 1.00 0.00 C ATOM 528 O HIS A 39 -0.209 3.065 -5.756 1.00 0.00 O ATOM 529 CB HIS A 39 1.762 2.792 -8.229 1.00 0.00 C ATOM 530 CG HIS A 39 3.088 2.574 -8.891 1.00 0.00 C ATOM 531 ND1 HIS A 39 3.895 3.608 -9.317 1.00 0.00 N ATOM 532 CD2 HIS A 39 3.748 1.433 -9.198 1.00 0.00 C ATOM 533 CE1 HIS A 39 4.993 3.112 -9.859 1.00 0.00 C ATOM 534 NE2 HIS A 39 4.929 1.794 -9.799 1.00 0.00 N ATOM 0 H HIS A 39 2.014 1.919 -5.542 1.00 0.00 H new ATOM 0 HA HIS A 39 2.429 4.441 -7.023 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.279 1.827 -8.075 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.121 3.366 -8.898 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.409 0.426 -9.006 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.805 3.687 -10.280 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.641 1.149 -10.143 1.00 0.00 H new ATOM 542 N LEU A 40 0.037 5.104 -6.673 1.00 0.00 N ATOM 543 CA LEU A 40 -1.278 5.573 -6.252 1.00 0.00 C ATOM 544 C LEU A 40 -2.019 6.232 -7.411 1.00 0.00 C ATOM 545 O LEU A 40 -1.575 7.247 -7.949 1.00 0.00 O ATOM 546 CB LEU A 40 -1.142 6.560 -5.092 1.00 0.00 C ATOM 547 CG LEU A 40 -0.794 5.954 -3.732 1.00 0.00 C ATOM 548 CD1 LEU A 40 -0.343 7.037 -2.764 1.00 0.00 C ATOM 549 CD2 LEU A 40 -1.984 5.193 -3.166 1.00 0.00 C ATOM 0 H LEU A 40 0.582 5.791 -7.195 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.855 4.709 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.374 7.289 -5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.080 7.107 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 40 0.029 5.252 -3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.100 6.587 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.539 7.538 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.145 7.764 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.718 4.769 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.827 5.874 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.261 4.391 -3.850 1.00 0.00 H new ATOM 561 N LYS A 41 -3.151 5.650 -7.791 1.00 0.00 N ATOM 562 CA LYS A 41 -3.956 6.182 -8.884 1.00 0.00 C ATOM 563 C LYS A 41 -5.438 6.174 -8.522 1.00 0.00 C ATOM 564 O LYS A 41 -5.914 5.322 -7.772 1.00 0.00 O ATOM 565 CB LYS A 41 -3.727 5.365 -10.158 1.00 0.00 C ATOM 566 CG LYS A 41 -3.946 3.874 -9.972 1.00 0.00 C ATOM 567 CD LYS A 41 -2.680 3.179 -9.499 1.00 0.00 C ATOM 568 CE LYS A 41 -2.615 1.742 -9.994 1.00 0.00 C ATOM 569 NZ LYS A 41 -1.211 1.289 -10.197 1.00 0.00 N ATOM 0 H LYS A 41 -3.532 4.809 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.648 7.213 -9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.397 5.728 -10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.709 5.533 -10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.744 3.710 -9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.274 3.433 -10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.808 3.727 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.642 3.192 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.108 1.087 -9.275 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.164 1.656 -10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.209 0.374 -10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.699 1.991 -10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.743 1.185 -9.274 1.00 0.00 H new ATOM 583 N PRO A 42 -6.187 7.144 -9.068 1.00 0.00 N ATOM 584 CA PRO A 42 -7.626 7.268 -8.818 1.00 0.00 C ATOM 585 C PRO A 42 -8.427 6.147 -9.472 1.00 0.00 C ATOM 586 O PRO A 42 -8.123 5.721 -10.586 1.00 0.00 O ATOM 587 CB PRO A 42 -7.980 8.617 -9.450 1.00 0.00 C ATOM 588 CG PRO A 42 -6.943 8.828 -10.498 1.00 0.00 C ATOM 589 CD PRO A 42 -5.686 8.193 -9.971 1.00 0.00 C ATOM 0 HA PRO A 42 -7.862 7.204 -7.756 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.981 8.602 -9.881 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.964 9.417 -8.710 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.244 8.373 -11.442 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.793 9.890 -10.690 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.079 7.775 -10.775 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.062 8.914 -9.443 1.00 0.00 H new ATOM 597 N THR A 43 -9.453 5.673 -8.772 1.00 0.00 N ATOM 598 CA THR A 43 -10.297 4.602 -9.284 1.00 0.00 C ATOM 599 C THR A 43 -11.576 5.156 -9.901 1.00 0.00 C ATOM 600 O THR A 43 -11.884 6.339 -9.757 1.00 0.00 O ATOM 601 CB THR A 43 -10.669 3.601 -8.174 1.00 0.00 C ATOM 602 OG1 THR A 43 -11.374 4.273 -7.124 1.00 0.00 O ATOM 603 CG2 THR A 43 -9.425 2.932 -7.609 1.00 0.00 C ATOM 0 H THR A 43 -9.719 6.015 -7.848 1.00 0.00 H new ATOM 0 HA THR A 43 -9.721 4.086 -10.052 1.00 0.00 H new ATOM 0 HB THR A 43 -11.310 2.833 -8.608 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.825 3.612 -6.558 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.713 2.230 -6.827 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.907 2.397 -8.405 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.763 3.690 -7.190 1.00 0.00 H new ATOM 611 N ALA A 44 -12.317 4.294 -10.589 1.00 0.00 N ATOM 612 CA ALA A 44 -13.564 4.698 -11.227 1.00 0.00 C ATOM 613 C ALA A 44 -14.557 5.233 -10.200 1.00 0.00 C ATOM 614 O ALA A 44 -15.451 6.009 -10.534 1.00 0.00 O ATOM 615 CB ALA A 44 -14.170 3.529 -11.989 1.00 0.00 C ATOM 0 H ALA A 44 -12.076 3.312 -10.719 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.340 5.500 -11.931 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.101 3.845 -12.460 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.471 3.193 -12.755 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -14.373 2.710 -11.298 1.00 0.00 H new ATOM 621 N ASN A 45 -14.393 4.813 -8.950 1.00 0.00 N ATOM 622 CA ASN A 45 -15.277 5.250 -7.875 1.00 0.00 C ATOM 623 C ASN A 45 -14.748 6.523 -7.221 1.00 0.00 C ATOM 624 O ASN A 45 -15.153 6.877 -6.114 1.00 0.00 O ATOM 625 CB ASN A 45 -15.422 4.146 -6.826 1.00 0.00 C ATOM 626 CG ASN A 45 -14.188 3.269 -6.735 1.00 0.00 C ATOM 627 OD1 ASN A 45 -13.331 3.470 -5.874 1.00 0.00 O ATOM 628 ND2 ASN A 45 -14.092 2.289 -7.626 1.00 0.00 N ATOM 0 H ASN A 45 -13.657 4.171 -8.656 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.255 5.463 -8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -15.617 4.597 -5.853 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -16.286 3.528 -7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.284 1.666 -7.614 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.826 2.159 -8.322 1.00 0.00 H new ATOM 635 N GLN A 46 -13.843 7.206 -7.913 1.00 0.00 N ATOM 636 CA GLN A 46 -13.260 8.440 -7.399 1.00 0.00 C ATOM 637 C GLN A 46 -12.559 8.196 -6.067 1.00 0.00 C ATOM 638 O GLN A 46 -12.617 9.028 -5.161 1.00 0.00 O ATOM 639 CB GLN A 46 -14.341 9.509 -7.232 1.00 0.00 C ATOM 640 CG GLN A 46 -14.934 9.985 -8.548 1.00 0.00 C ATOM 641 CD GLN A 46 -16.175 10.834 -8.356 1.00 0.00 C ATOM 642 OE1 GLN A 46 -17.087 10.464 -7.615 1.00 0.00 O ATOM 643 NE2 GLN A 46 -16.217 11.981 -9.023 1.00 0.00 N ATOM 0 H GLN A 46 -13.497 6.926 -8.831 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.521 8.791 -8.119 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -15.140 9.111 -6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.917 10.363 -6.704 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.185 10.561 -9.092 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -15.182 9.121 -9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.439 12.249 -9.626 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -17.027 12.594 -8.932 1.00 0.00 H new ATOM 652 N LYS A 47 -11.895 7.050 -5.954 1.00 0.00 N ATOM 653 CA LYS A 47 -11.182 6.696 -4.733 1.00 0.00 C ATOM 654 C LYS A 47 -9.693 6.507 -5.008 1.00 0.00 C ATOM 655 O LYS A 47 -9.244 6.611 -6.150 1.00 0.00 O ATOM 656 CB LYS A 47 -11.766 5.418 -4.128 1.00 0.00 C ATOM 657 CG LYS A 47 -13.242 5.527 -3.784 1.00 0.00 C ATOM 658 CD LYS A 47 -13.606 4.644 -2.602 1.00 0.00 C ATOM 659 CE LYS A 47 -13.380 5.362 -1.281 1.00 0.00 C ATOM 660 NZ LYS A 47 -11.964 5.263 -0.830 1.00 0.00 N ATOM 0 H LYS A 47 -11.836 6.351 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.302 7.514 -4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.625 4.596 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.209 5.166 -3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.487 6.564 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.840 5.243 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.651 4.342 -2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.008 3.733 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.655 6.411 -1.387 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.034 4.936 -0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.919 5.384 0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.582 4.330 -1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.400 6.006 -1.290 1.00 0.00 H new ATOM 674 N THR A 48 -8.932 6.226 -3.955 1.00 0.00 N ATOM 675 CA THR A 48 -7.495 6.021 -4.083 1.00 0.00 C ATOM 676 C THR A 48 -7.107 4.594 -3.711 1.00 0.00 C ATOM 677 O THR A 48 -7.139 4.219 -2.540 1.00 0.00 O ATOM 678 CB THR A 48 -6.706 7.003 -3.197 1.00 0.00 C ATOM 679 OG1 THR A 48 -7.076 8.351 -3.509 1.00 0.00 O ATOM 680 CG2 THR A 48 -5.208 6.825 -3.392 1.00 0.00 C ATOM 0 H THR A 48 -9.288 6.135 -3.003 1.00 0.00 H new ATOM 0 HA THR A 48 -7.242 6.202 -5.128 1.00 0.00 H new ATOM 0 HB THR A 48 -6.948 6.792 -2.155 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.446 8.782 -2.710 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.672 7.529 -2.756 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.925 5.807 -3.125 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.952 7.011 -4.435 1.00 0.00 H new ATOM 688 N GLN A 49 -6.741 3.805 -4.716 1.00 0.00 N ATOM 689 CA GLN A 49 -6.347 2.419 -4.493 1.00 0.00 C ATOM 690 C GLN A 49 -4.836 2.303 -4.325 1.00 0.00 C ATOM 691 O GLN A 49 -4.069 2.942 -5.047 1.00 0.00 O ATOM 692 CB GLN A 49 -6.812 1.541 -5.656 1.00 0.00 C ATOM 693 CG GLN A 49 -6.826 0.056 -5.329 1.00 0.00 C ATOM 694 CD GLN A 49 -6.898 -0.813 -6.569 1.00 0.00 C ATOM 695 OE1 GLN A 49 -7.969 -1.003 -7.147 1.00 0.00 O ATOM 696 NE2 GLN A 49 -5.756 -1.347 -6.985 1.00 0.00 N ATOM 0 H GLN A 49 -6.709 4.101 -5.691 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.823 2.075 -3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.814 1.848 -5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.159 1.710 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.928 -0.196 -4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.679 -0.163 -4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.892 -1.163 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.743 -1.941 -7.814 1.00 0.00 H new ATOM 705 N LEU A 50 -4.413 1.484 -3.368 1.00 0.00 N ATOM 706 CA LEU A 50 -2.992 1.284 -3.104 1.00 0.00 C ATOM 707 C LEU A 50 -2.483 0.023 -3.794 1.00 0.00 C ATOM 708 O LEU A 50 -3.080 -1.048 -3.674 1.00 0.00 O ATOM 709 CB LEU A 50 -2.740 1.192 -1.598 1.00 0.00 C ATOM 710 CG LEU A 50 -1.280 1.280 -1.155 1.00 0.00 C ATOM 711 CD1 LEU A 50 -0.887 2.726 -0.894 1.00 0.00 C ATOM 712 CD2 LEU A 50 -1.046 0.430 0.085 1.00 0.00 C ATOM 0 H LEU A 50 -5.034 0.948 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.449 2.140 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.296 1.991 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.152 0.249 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.653 0.894 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.156 2.769 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.015 3.308 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.520 3.139 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.001 0.505 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.683 0.785 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.286 -0.610 -0.136 1.00 0.00 H new ATOM 724 N LEU A 51 -1.375 0.156 -4.515 1.00 0.00 N ATOM 725 CA LEU A 51 -0.783 -0.974 -5.223 1.00 0.00 C ATOM 726 C LEU A 51 0.739 -0.942 -5.124 1.00 0.00 C ATOM 727 O LEU A 51 1.352 0.125 -5.173 1.00 0.00 O ATOM 728 CB LEU A 51 -1.210 -0.962 -6.692 1.00 0.00 C ATOM 729 CG LEU A 51 -0.551 -2.008 -7.592 1.00 0.00 C ATOM 730 CD1 LEU A 51 -1.150 -3.383 -7.338 1.00 0.00 C ATOM 731 CD2 LEU A 51 -0.699 -1.622 -9.056 1.00 0.00 C ATOM 0 H LEU A 51 -0.869 1.035 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.140 -1.891 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.290 -1.102 -6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.000 0.026 -7.103 1.00 0.00 H new ATOM 0 HG LEU A 51 0.512 -2.047 -7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.669 -4.115 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.991 -3.662 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.219 -3.359 -7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.224 -2.378 -9.681 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.757 -1.554 -9.309 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.222 -0.657 -9.228 1.00 0.00 H new ATOM 743 N VAL A 52 1.343 -2.118 -4.987 1.00 0.00 N ATOM 744 CA VAL A 52 2.794 -2.225 -4.885 1.00 0.00 C ATOM 745 C VAL A 52 3.340 -3.250 -5.872 1.00 0.00 C ATOM 746 O VAL A 52 2.889 -4.395 -5.908 1.00 0.00 O ATOM 747 CB VAL A 52 3.229 -2.618 -3.461 1.00 0.00 C ATOM 748 CG1 VAL A 52 4.746 -2.671 -3.361 1.00 0.00 C ATOM 749 CG2 VAL A 52 2.653 -1.647 -2.441 1.00 0.00 C ATOM 0 H VAL A 52 0.850 -3.010 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 52 3.201 -1.242 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 52 2.840 -3.612 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.034 -2.950 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.131 -3.409 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.161 -1.692 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.970 -1.940 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.011 -0.640 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.565 -1.665 -2.496 1.00 0.00 H new ATOM 759 N ARG A 53 4.315 -2.831 -6.673 1.00 0.00 N ATOM 760 CA ARG A 53 4.923 -3.712 -7.662 1.00 0.00 C ATOM 761 C ARG A 53 6.335 -4.110 -7.241 1.00 0.00 C ATOM 762 O ARG A 53 7.139 -3.263 -6.852 1.00 0.00 O ATOM 763 CB ARG A 53 4.961 -3.030 -9.030 1.00 0.00 C ATOM 764 CG ARG A 53 5.818 -3.759 -10.052 1.00 0.00 C ATOM 765 CD ARG A 53 5.117 -4.999 -10.584 1.00 0.00 C ATOM 766 NE ARG A 53 5.511 -5.304 -11.956 1.00 0.00 N ATOM 767 CZ ARG A 53 4.946 -4.751 -13.024 1.00 0.00 C ATOM 768 NH1 ARG A 53 3.967 -3.869 -12.877 1.00 0.00 N ATOM 769 NH2 ARG A 53 5.360 -5.080 -14.241 1.00 0.00 N ATOM 0 H ARG A 53 4.700 -1.887 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 53 4.315 -4.614 -7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.944 -2.948 -9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.339 -2.015 -8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.050 -3.088 -10.879 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.767 -4.043 -9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.349 -5.849 -9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.038 -4.852 -10.541 1.00 0.00 H new ATOM 0 HE ARG A 53 6.262 -5.979 -12.103 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.646 -3.614 -11.943 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.535 -3.446 -13.698 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.113 -5.758 -14.358 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.925 -4.655 -15.060 1.00 0.00 H new ATOM 783 N ALA A 54 6.629 -5.403 -7.321 1.00 0.00 N ATOM 784 CA ALA A 54 7.944 -5.912 -6.951 1.00 0.00 C ATOM 785 C ALA A 54 9.051 -5.151 -7.672 1.00 0.00 C ATOM 786 O ALA A 54 8.784 -4.342 -8.561 1.00 0.00 O ATOM 787 CB ALA A 54 8.039 -7.400 -7.255 1.00 0.00 C ATOM 0 H ALA A 54 5.974 -6.118 -7.639 1.00 0.00 H new ATOM 0 HA ALA A 54 8.075 -5.762 -5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.026 -7.767 -6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.278 -7.936 -6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.881 -7.564 -8.321 1.00 0.00 H new ATOM 793 N ASP A 55 10.293 -5.414 -7.283 1.00 0.00 N ATOM 794 CA ASP A 55 11.442 -4.753 -7.892 1.00 0.00 C ATOM 795 C ASP A 55 11.980 -5.571 -9.062 1.00 0.00 C ATOM 796 O ASP A 55 12.212 -5.041 -10.150 1.00 0.00 O ATOM 797 CB ASP A 55 12.544 -4.538 -6.854 1.00 0.00 C ATOM 798 CG ASP A 55 13.892 -4.261 -7.490 1.00 0.00 C ATOM 799 OD1 ASP A 55 14.085 -3.142 -8.009 1.00 0.00 O ATOM 800 OD2 ASP A 55 14.754 -5.165 -7.470 1.00 0.00 O ATOM 0 H ASP A 55 10.531 -6.081 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 55 11.116 -3.783 -8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.272 -3.704 -6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.619 -5.421 -6.220 1.00 0.00 H new ATOM 859 N ASN A 60 4.938 -8.983 -9.961 1.00 0.00 N ATOM 860 CA ASN A 60 4.152 -9.683 -8.951 1.00 0.00 C ATOM 861 C ASN A 60 3.505 -8.695 -7.985 1.00 0.00 C ATOM 862 O ASN A 60 4.118 -7.701 -7.595 1.00 0.00 O ATOM 863 CB ASN A 60 5.035 -10.665 -8.179 1.00 0.00 C ATOM 864 CG ASN A 60 4.454 -11.024 -6.825 1.00 0.00 C ATOM 865 OD1 ASN A 60 3.429 -11.700 -6.736 1.00 0.00 O ATOM 866 ND2 ASN A 60 5.108 -10.570 -5.762 1.00 0.00 N ATOM 0 HA ASN A 60 3.363 -10.237 -9.459 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.165 -11.573 -8.768 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.025 -10.229 -8.043 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.764 -10.778 -4.824 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.954 -10.013 -5.883 1.00 0.00 H new ATOM 873 N ILE A 61 2.264 -8.978 -7.602 1.00 0.00 N ATOM 874 CA ILE A 61 1.535 -8.116 -6.680 1.00 0.00 C ATOM 875 C ILE A 61 1.923 -8.405 -5.234 1.00 0.00 C ATOM 876 O ILE A 61 1.713 -9.510 -4.732 1.00 0.00 O ATOM 877 CB ILE A 61 0.012 -8.286 -6.835 1.00 0.00 C ATOM 878 CG1 ILE A 61 -0.429 -7.869 -8.240 1.00 0.00 C ATOM 879 CG2 ILE A 61 -0.722 -7.472 -5.780 1.00 0.00 C ATOM 880 CD1 ILE A 61 -1.849 -8.270 -8.571 1.00 0.00 C ATOM 0 H ILE A 61 1.743 -9.797 -7.916 1.00 0.00 H new ATOM 0 HA ILE A 61 1.805 -7.089 -6.928 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.238 -9.337 -6.693 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.334 -6.787 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.246 -8.315 -8.971 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.797 -7.603 -5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.426 -7.812 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.469 -6.418 -5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.093 -7.942 -9.581 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.945 -9.354 -8.508 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.533 -7.803 -7.863 1.00 0.00 H new ATOM 892 N LEU A 62 2.489 -7.405 -4.567 1.00 0.00 N ATOM 893 CA LEU A 62 2.905 -7.550 -3.177 1.00 0.00 C ATOM 894 C LEU A 62 1.744 -7.265 -2.229 1.00 0.00 C ATOM 895 O LEU A 62 1.449 -8.059 -1.335 1.00 0.00 O ATOM 896 CB LEU A 62 4.071 -6.609 -2.871 1.00 0.00 C ATOM 897 CG LEU A 62 5.443 -7.054 -3.379 1.00 0.00 C ATOM 898 CD1 LEU A 62 6.447 -5.917 -3.270 1.00 0.00 C ATOM 899 CD2 LEU A 62 5.928 -8.272 -2.607 1.00 0.00 C ATOM 0 H LEU A 62 2.670 -6.484 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 62 3.229 -8.580 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.846 -5.633 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.131 -6.476 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 62 5.349 -7.329 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.417 -6.252 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.106 -5.072 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.538 -5.611 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.906 -8.575 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.006 -8.024 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.220 -9.091 -2.737 1.00 0.00 H new ATOM 911 N LEU A 63 1.088 -6.128 -2.431 1.00 0.00 N ATOM 912 CA LEU A 63 -0.042 -5.738 -1.595 1.00 0.00 C ATOM 913 C LEU A 63 -1.017 -4.860 -2.373 1.00 0.00 C ATOM 914 O LEU A 63 -0.661 -3.775 -2.831 1.00 0.00 O ATOM 915 CB LEU A 63 0.449 -4.995 -0.352 1.00 0.00 C ATOM 916 CG LEU A 63 -0.610 -4.212 0.425 1.00 0.00 C ATOM 917 CD1 LEU A 63 -1.281 -5.103 1.458 1.00 0.00 C ATOM 918 CD2 LEU A 63 0.011 -2.993 1.092 1.00 0.00 C ATOM 0 H LEU A 63 1.319 -5.460 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.563 -6.644 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.904 -5.719 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.235 -4.303 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.370 -3.869 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.032 -4.529 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.760 -5.944 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.533 -5.476 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.757 -2.448 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.791 -3.314 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.444 -2.343 0.332 1.00 0.00 H new ATOM 930 N ASN A 64 -2.249 -5.337 -2.518 1.00 0.00 N ATOM 931 CA ASN A 64 -3.277 -4.595 -3.239 1.00 0.00 C ATOM 932 C ASN A 64 -4.518 -4.401 -2.373 1.00 0.00 C ATOM 933 O ASN A 64 -5.305 -5.328 -2.181 1.00 0.00 O ATOM 934 CB ASN A 64 -3.651 -5.325 -4.530 1.00 0.00 C ATOM 935 CG ASN A 64 -4.712 -4.588 -5.325 1.00 0.00 C ATOM 936 OD1 ASN A 64 -5.755 -4.212 -4.790 1.00 0.00 O ATOM 937 ND2 ASN A 64 -4.449 -4.378 -6.610 1.00 0.00 N ATOM 0 H ASN A 64 -2.560 -6.234 -2.146 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.874 -3.614 -3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.760 -5.448 -5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.012 -6.325 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.125 -3.887 -7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.571 -4.707 -7.011 1.00 0.00 H new ATOM 944 N VAL A 65 -4.686 -3.190 -1.852 1.00 0.00 N ATOM 945 CA VAL A 65 -5.831 -2.873 -1.007 1.00 0.00 C ATOM 946 C VAL A 65 -6.272 -1.426 -1.198 1.00 0.00 C ATOM 947 O VAL A 65 -5.478 -0.571 -1.592 1.00 0.00 O ATOM 948 CB VAL A 65 -5.513 -3.109 0.481 1.00 0.00 C ATOM 949 CG1 VAL A 65 -5.124 -4.560 0.721 1.00 0.00 C ATOM 950 CG2 VAL A 65 -4.411 -2.169 0.946 1.00 0.00 C ATOM 0 H VAL A 65 -4.043 -2.412 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.640 -3.539 -1.308 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.409 -2.897 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.903 -4.707 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.948 -5.211 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.242 -4.803 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.199 -2.350 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.510 -2.346 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.733 -1.136 0.813 1.00 0.00 H new ATOM 960 N LEU A 66 -7.542 -1.158 -0.917 1.00 0.00 N ATOM 961 CA LEU A 66 -8.090 0.187 -1.057 1.00 0.00 C ATOM 962 C LEU A 66 -8.061 0.927 0.276 1.00 0.00 C ATOM 963 O LEU A 66 -8.256 0.329 1.335 1.00 0.00 O ATOM 964 CB LEU A 66 -9.523 0.122 -1.587 1.00 0.00 C ATOM 965 CG LEU A 66 -10.290 1.445 -1.611 1.00 0.00 C ATOM 966 CD1 LEU A 66 -9.659 2.410 -2.602 1.00 0.00 C ATOM 967 CD2 LEU A 66 -11.753 1.207 -1.954 1.00 0.00 C ATOM 0 H LEU A 66 -8.212 -1.854 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.471 0.734 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.497 -0.278 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.082 -0.588 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.238 1.891 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.218 3.346 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.626 2.605 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.679 1.972 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.283 2.159 -1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.825 0.739 -2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.200 0.552 -1.206 1.00 0.00 H new ATOM 979 N ILE A 67 -7.820 2.233 0.217 1.00 0.00 N ATOM 980 CA ILE A 67 -7.770 3.055 1.419 1.00 0.00 C ATOM 981 C ILE A 67 -9.146 3.168 2.065 1.00 0.00 C ATOM 982 O ILE A 67 -10.065 3.784 1.525 1.00 0.00 O ATOM 983 CB ILE A 67 -7.242 4.469 1.112 1.00 0.00 C ATOM 984 CG1 ILE A 67 -5.762 4.413 0.728 1.00 0.00 C ATOM 985 CG2 ILE A 67 -7.449 5.384 2.310 1.00 0.00 C ATOM 986 CD1 ILE A 67 -5.275 5.653 0.012 1.00 0.00 C ATOM 0 H ILE A 67 -7.656 2.744 -0.651 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.086 2.562 2.110 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.802 4.874 0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.167 4.267 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.593 3.545 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.071 6.379 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.512 5.445 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.912 4.984 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.218 5.542 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.845 5.790 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.411 6.522 0.656 1.00 0.00 H new ATOM 998 N PRO A 68 -9.294 2.561 3.252 1.00 0.00 N ATOM 999 CA PRO A 68 -10.554 2.581 4.000 1.00 0.00 C ATOM 1000 C PRO A 68 -10.876 3.963 4.557 1.00 0.00 C ATOM 1001 O PRO A 68 -10.049 4.875 4.537 1.00 0.00 O ATOM 1002 CB PRO A 68 -10.306 1.590 5.140 1.00 0.00 C ATOM 1003 CG PRO A 68 -8.827 1.584 5.322 1.00 0.00 C ATOM 1004 CD PRO A 68 -8.241 1.809 3.956 1.00 0.00 C ATOM 0 HA PRO A 68 -11.405 2.323 3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.816 1.900 6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.678 0.597 4.889 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.516 2.367 6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.489 0.636 5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -7.310 2.373 4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.017 0.867 3.455 1.00 0.00 H new ATOM 1012 N PRO A 69 -12.106 4.125 5.068 1.00 0.00 N ATOM 1013 CA PRO A 69 -12.564 5.394 5.641 1.00 0.00 C ATOM 1014 C PRO A 69 -11.869 5.720 6.958 1.00 0.00 C ATOM 1015 O PRO A 69 -11.613 6.884 7.264 1.00 0.00 O ATOM 1016 CB PRO A 69 -14.060 5.160 5.870 1.00 0.00 C ATOM 1017 CG PRO A 69 -14.194 3.683 6.016 1.00 0.00 C ATOM 1018 CD PRO A 69 -13.143 3.081 5.125 1.00 0.00 C ATOM 0 HA PRO A 69 -12.345 6.239 4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.410 5.679 6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -14.651 5.530 5.033 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.048 3.379 7.052 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.190 3.351 5.724 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -12.753 2.150 5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.538 2.852 4.135 1.00 0.00 H new ATOM 1026 N ASN A 70 -11.564 4.684 7.734 1.00 0.00 N ATOM 1027 CA ASN A 70 -10.898 4.861 9.018 1.00 0.00 C ATOM 1028 C ASN A 70 -9.604 4.054 9.076 1.00 0.00 C ATOM 1029 O ASN A 70 -9.628 2.824 9.070 1.00 0.00 O ATOM 1030 CB ASN A 70 -11.825 4.441 10.160 1.00 0.00 C ATOM 1031 CG ASN A 70 -13.079 5.291 10.229 1.00 0.00 C ATOM 1032 OD1 ASN A 70 -14.146 4.881 9.772 1.00 0.00 O ATOM 1033 ND2 ASN A 70 -12.955 6.483 10.801 1.00 0.00 N ATOM 0 H ASN A 70 -11.768 3.714 7.495 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.652 5.917 9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.105 3.395 10.031 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.288 4.513 11.106 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.764 7.100 10.875 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.051 6.782 11.166 1.00 0.00 H new ATOM 1040 N MET A 71 -8.477 4.756 9.133 1.00 0.00 N ATOM 1041 CA MET A 71 -7.174 4.105 9.194 1.00 0.00 C ATOM 1042 C MET A 71 -6.197 4.921 10.035 1.00 0.00 C ATOM 1043 O MET A 71 -5.868 6.063 9.714 1.00 0.00 O ATOM 1044 CB MET A 71 -6.611 3.909 7.784 1.00 0.00 C ATOM 1045 CG MET A 71 -5.168 3.433 7.767 1.00 0.00 C ATOM 1046 SD MET A 71 -4.273 3.984 6.302 1.00 0.00 S ATOM 1047 CE MET A 71 -2.905 4.864 7.053 1.00 0.00 C ATOM 0 H MET A 71 -8.440 5.775 9.138 1.00 0.00 H new ATOM 0 HA MET A 71 -7.305 3.130 9.664 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.230 3.186 7.252 1.00 0.00 H new ATOM 0 HB3 MET A 71 -6.681 4.851 7.240 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.658 3.799 8.658 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.148 2.344 7.812 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.258 5.266 6.273 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.289 5.682 7.662 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.334 4.181 7.681 1.00 0.00 H new ATOM 1057 N PRO A 72 -5.721 4.323 11.137 1.00 0.00 N ATOM 1058 CA PRO A 72 -4.775 4.976 12.046 1.00 0.00 C ATOM 1059 C PRO A 72 -3.393 5.145 11.422 1.00 0.00 C ATOM 1060 O PRO A 72 -2.934 4.287 10.667 1.00 0.00 O ATOM 1061 CB PRO A 72 -4.710 4.019 13.238 1.00 0.00 C ATOM 1062 CG PRO A 72 -5.077 2.689 12.677 1.00 0.00 C ATOM 1063 CD PRO A 72 -6.069 2.962 11.580 1.00 0.00 C ATOM 0 HA PRO A 72 -5.093 5.985 12.309 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.713 4.002 13.678 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.400 4.320 14.026 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.199 2.173 12.289 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.510 2.048 13.445 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.980 2.240 10.768 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.095 2.908 11.943 1.00 0.00 H new ATOM 1071 N CYS A 73 -2.736 6.254 11.743 1.00 0.00 N ATOM 1072 CA CYS A 73 -1.406 6.534 11.213 1.00 0.00 C ATOM 1073 C CYS A 73 -0.412 6.783 12.342 1.00 0.00 C ATOM 1074 O CYS A 73 -0.707 7.503 13.297 1.00 0.00 O ATOM 1075 CB CYS A 73 -1.451 7.746 10.281 1.00 0.00 C ATOM 1076 SG CYS A 73 -1.943 9.284 11.094 1.00 0.00 S ATOM 0 H CYS A 73 -3.102 6.973 12.367 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.076 5.662 10.648 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -0.467 7.883 9.833 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.146 7.539 9.467 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.630 9.228 12.355 1.00 0.00 H new ATOM 1082 N THR A 74 0.768 6.180 12.229 1.00 0.00 N ATOM 1083 CA THR A 74 1.805 6.333 13.242 1.00 0.00 C ATOM 1084 C THR A 74 3.183 6.459 12.602 1.00 0.00 C ATOM 1085 O THR A 74 3.727 5.486 12.080 1.00 0.00 O ATOM 1086 CB THR A 74 1.813 5.144 14.221 1.00 0.00 C ATOM 1087 OG1 THR A 74 1.681 3.914 13.500 1.00 0.00 O ATOM 1088 CG2 THR A 74 0.683 5.269 15.233 1.00 0.00 C ATOM 0 H THR A 74 1.029 5.581 11.446 1.00 0.00 H new ATOM 0 HA THR A 74 1.578 7.246 13.793 1.00 0.00 H new ATOM 0 HB THR A 74 2.762 5.150 14.757 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.006 4.036 12.583 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.709 4.418 15.914 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.803 6.192 15.801 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.273 5.287 14.710 1.00 0.00 H new ATOM 1096 N ARG A 75 3.742 7.664 12.648 1.00 0.00 N ATOM 1097 CA ARG A 75 5.058 7.917 12.072 1.00 0.00 C ATOM 1098 C ARG A 75 6.163 7.525 13.049 1.00 0.00 C ATOM 1099 O ARG A 75 6.303 8.120 14.118 1.00 0.00 O ATOM 1100 CB ARG A 75 5.197 9.393 11.694 1.00 0.00 C ATOM 1101 CG ARG A 75 4.805 9.692 10.256 1.00 0.00 C ATOM 1102 CD ARG A 75 5.910 9.306 9.285 1.00 0.00 C ATOM 1103 NE ARG A 75 6.838 10.407 9.046 1.00 0.00 N ATOM 1104 CZ ARG A 75 8.096 10.236 8.654 1.00 0.00 C ATOM 1105 NH1 ARG A 75 8.572 9.015 8.458 1.00 0.00 N ATOM 1106 NH2 ARG A 75 8.880 11.289 8.457 1.00 0.00 N ATOM 0 H ARG A 75 3.305 8.479 13.077 1.00 0.00 H new ATOM 0 HA ARG A 75 5.158 7.308 11.174 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.577 9.991 12.363 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.229 9.705 11.853 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.894 9.149 10.006 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.582 10.754 10.152 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.457 8.450 9.680 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.468 8.993 8.339 1.00 0.00 H new ATOM 0 HE ARG A 75 6.502 11.360 9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.972 8.204 8.608 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.538 8.886 8.157 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.517 12.230 8.607 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.846 11.157 8.156 1.00 0.00 H new ATOM 1120 N THR A 76 6.947 6.519 12.674 1.00 0.00 N ATOM 1121 CA THR A 76 8.038 6.046 13.516 1.00 0.00 C ATOM 1122 C THR A 76 9.387 6.257 12.838 1.00 0.00 C ATOM 1123 O THR A 76 9.568 5.911 11.672 1.00 0.00 O ATOM 1124 CB THR A 76 7.877 4.553 13.859 1.00 0.00 C ATOM 1125 OG1 THR A 76 9.015 4.094 14.597 1.00 0.00 O ATOM 1126 CG2 THR A 76 7.716 3.722 12.595 1.00 0.00 C ATOM 0 H THR A 76 6.846 6.016 11.792 1.00 0.00 H new ATOM 0 HA THR A 76 8.002 6.629 14.437 1.00 0.00 H new ATOM 0 HB THR A 76 6.980 4.437 14.467 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.904 3.144 14.813 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.604 2.671 12.862 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.832 4.054 12.051 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.597 3.844 11.965 1.00 0.00 H new ATOM 1134 N GLY A 77 10.334 6.827 13.578 1.00 0.00 N ATOM 1135 CA GLY A 77 11.655 7.074 13.031 1.00 0.00 C ATOM 1136 C GLY A 77 11.673 8.241 12.064 1.00 0.00 C ATOM 1137 O GLY A 77 10.887 9.178 12.195 1.00 0.00 O ATOM 0 H GLY A 77 10.209 7.122 14.546 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.351 7.271 13.846 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.007 6.178 12.520 1.00 0.00 H new ATOM 1141 N LYS A 78 12.575 8.185 11.089 1.00 0.00 N ATOM 1142 CA LYS A 78 12.694 9.245 10.095 1.00 0.00 C ATOM 1143 C LYS A 78 12.408 8.713 8.695 1.00 0.00 C ATOM 1144 O LYS A 78 11.873 9.426 7.847 1.00 0.00 O ATOM 1145 CB LYS A 78 14.095 9.861 10.142 1.00 0.00 C ATOM 1146 CG LYS A 78 15.203 8.877 9.814 1.00 0.00 C ATOM 1147 CD LYS A 78 16.541 9.337 10.369 1.00 0.00 C ATOM 1148 CE LYS A 78 16.700 8.950 11.831 1.00 0.00 C ATOM 1149 NZ LYS A 78 18.041 9.320 12.361 1.00 0.00 N ATOM 0 H LYS A 78 13.234 7.416 10.966 1.00 0.00 H new ATOM 0 HA LYS A 78 11.957 10.013 10.330 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.140 10.694 9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.269 10.273 11.136 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.955 7.898 10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.278 8.759 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.349 8.897 9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.626 10.419 10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.928 9.442 12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.550 7.876 11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.109 9.039 13.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.778 8.831 11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.175 10.348 12.280 1.00 0.00 H new ATOM 1163 N ASN A 79 12.767 7.455 8.460 1.00 0.00 N ATOM 1164 CA ASN A 79 12.547 6.827 7.162 1.00 0.00 C ATOM 1165 C ASN A 79 11.607 5.632 7.288 1.00 0.00 C ATOM 1166 O ASN A 79 11.547 4.781 6.402 1.00 0.00 O ATOM 1167 CB ASN A 79 13.880 6.380 6.557 1.00 0.00 C ATOM 1168 CG ASN A 79 14.299 5.004 7.035 1.00 0.00 C ATOM 1169 OD1 ASN A 79 14.086 4.645 8.193 1.00 0.00 O ATOM 1170 ND2 ASN A 79 14.899 4.225 6.142 1.00 0.00 N ATOM 0 H ASN A 79 13.211 6.851 9.151 1.00 0.00 H new ATOM 0 HA ASN A 79 12.084 7.562 6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.799 6.375 5.470 1.00 0.00 H new ATOM 0 HB3 ASN A 79 14.654 7.103 6.816 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.204 3.288 6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 79 15.055 4.564 5.193 1.00 0.00 H new ATOM 1177 N ASN A 80 10.873 5.578 8.395 1.00 0.00 N ATOM 1178 CA ASN A 80 9.935 4.488 8.637 1.00 0.00 C ATOM 1179 C ASN A 80 8.548 5.028 8.972 1.00 0.00 C ATOM 1180 O ASN A 80 8.414 6.090 9.580 1.00 0.00 O ATOM 1181 CB ASN A 80 10.437 3.598 9.777 1.00 0.00 C ATOM 1182 CG ASN A 80 11.829 3.056 9.516 1.00 0.00 C ATOM 1183 OD1 ASN A 80 12.232 2.875 8.367 1.00 0.00 O ATOM 1184 ND2 ASN A 80 12.572 2.794 10.586 1.00 0.00 N ATOM 0 H ASN A 80 10.910 6.276 9.138 1.00 0.00 H new ATOM 0 HA ASN A 80 9.864 3.894 7.726 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.440 4.169 10.706 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.746 2.766 9.916 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.517 2.428 10.473 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.197 2.959 11.520 1.00 0.00 H new ATOM 1191 N VAL A 81 7.519 4.288 8.572 1.00 0.00 N ATOM 1192 CA VAL A 81 6.142 4.692 8.831 1.00 0.00 C ATOM 1193 C VAL A 81 5.274 3.489 9.186 1.00 0.00 C ATOM 1194 O VAL A 81 5.103 2.573 8.380 1.00 0.00 O ATOM 1195 CB VAL A 81 5.529 5.411 7.614 1.00 0.00 C ATOM 1196 CG1 VAL A 81 4.121 5.890 7.931 1.00 0.00 C ATOM 1197 CG2 VAL A 81 6.412 6.572 7.182 1.00 0.00 C ATOM 0 H VAL A 81 7.613 3.406 8.068 1.00 0.00 H new ATOM 0 HA VAL A 81 6.168 5.381 9.676 1.00 0.00 H new ATOM 0 HB VAL A 81 5.468 4.703 6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.704 6.395 7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.495 5.035 8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.153 6.583 8.772 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.964 7.069 6.321 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.506 7.283 8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.399 6.197 6.912 1.00 0.00 H new ATOM 1207 N LEU A 82 4.728 3.498 10.397 1.00 0.00 N ATOM 1208 CA LEU A 82 3.877 2.407 10.860 1.00 0.00 C ATOM 1209 C LEU A 82 2.412 2.684 10.534 1.00 0.00 C ATOM 1210 O LEU A 82 1.886 3.750 10.853 1.00 0.00 O ATOM 1211 CB LEU A 82 4.047 2.206 12.367 1.00 0.00 C ATOM 1212 CG LEU A 82 5.107 1.190 12.793 1.00 0.00 C ATOM 1213 CD1 LEU A 82 5.370 1.288 14.287 1.00 0.00 C ATOM 1214 CD2 LEU A 82 4.675 -0.220 12.417 1.00 0.00 C ATOM 0 H LEU A 82 4.859 4.248 11.076 1.00 0.00 H new ATOM 0 HA LEU A 82 4.180 1.497 10.342 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.293 3.168 12.816 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.088 1.896 12.783 1.00 0.00 H new ATOM 0 HG LEU A 82 6.034 1.418 12.266 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.127 0.557 14.572 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.724 2.290 14.529 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.448 1.087 14.833 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.441 -0.930 12.728 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.736 -0.458 12.916 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.538 -0.283 11.337 1.00 0.00 H new ATOM 1226 N ILE A 83 1.760 1.716 9.900 1.00 0.00 N ATOM 1227 CA ILE A 83 0.356 1.854 9.535 1.00 0.00 C ATOM 1228 C ILE A 83 -0.401 0.548 9.754 1.00 0.00 C ATOM 1229 O ILE A 83 0.160 -0.539 9.610 1.00 0.00 O ATOM 1230 CB ILE A 83 0.196 2.286 8.065 1.00 0.00 C ATOM 1231 CG1 ILE A 83 0.876 1.276 7.137 1.00 0.00 C ATOM 1232 CG2 ILE A 83 0.774 3.678 7.856 1.00 0.00 C ATOM 1233 CD1 ILE A 83 0.358 1.317 5.717 1.00 0.00 C ATOM 0 H ILE A 83 2.181 0.828 9.628 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.063 2.626 10.180 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.867 2.315 7.824 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.949 1.467 7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.734 0.273 7.538 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.653 3.969 6.813 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.250 4.389 8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.834 3.674 8.111 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.884 0.575 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.709 1.096 5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.525 2.309 5.297 1.00 0.00 H new ATOM 1245 N VAL A 84 -1.678 0.662 10.102 1.00 0.00 N ATOM 1246 CA VAL A 84 -2.514 -0.510 10.338 1.00 0.00 C ATOM 1247 C VAL A 84 -3.520 -0.704 9.210 1.00 0.00 C ATOM 1248 O VAL A 84 -4.445 0.093 9.045 1.00 0.00 O ATOM 1249 CB VAL A 84 -3.272 -0.398 11.674 1.00 0.00 C ATOM 1250 CG1 VAL A 84 -3.927 -1.724 12.029 1.00 0.00 C ATOM 1251 CG2 VAL A 84 -2.334 0.055 12.782 1.00 0.00 C ATOM 0 H VAL A 84 -2.157 1.554 10.227 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.847 -1.372 10.378 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.057 0.350 11.565 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.458 -1.626 12.976 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.631 -2.003 11.245 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.162 -2.495 12.120 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.886 0.129 13.719 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.526 -0.668 12.893 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.916 1.030 12.529 1.00 0.00 H new ATOM 1261 N CYS A 85 -3.335 -1.768 8.436 1.00 0.00 N ATOM 1262 CA CYS A 85 -4.227 -2.067 7.321 1.00 0.00 C ATOM 1263 C CYS A 85 -4.297 -3.570 7.070 1.00 0.00 C ATOM 1264 O CYS A 85 -3.393 -4.316 7.446 1.00 0.00 O ATOM 1265 CB CYS A 85 -3.756 -1.347 6.057 1.00 0.00 C ATOM 1266 SG CYS A 85 -3.800 0.456 6.174 1.00 0.00 S ATOM 0 H CYS A 85 -2.576 -2.438 8.560 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.225 -1.713 7.580 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.737 -1.661 5.832 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -4.379 -1.661 5.219 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.954 0.807 7.416 1.00 0.00 H new ATOM 1272 N VAL A 86 -5.379 -4.008 6.433 1.00 0.00 N ATOM 1273 CA VAL A 86 -5.568 -5.422 6.131 1.00 0.00 C ATOM 1274 C VAL A 86 -4.658 -5.867 4.992 1.00 0.00 C ATOM 1275 O VAL A 86 -4.754 -5.386 3.863 1.00 0.00 O ATOM 1276 CB VAL A 86 -7.030 -5.725 5.754 1.00 0.00 C ATOM 1277 CG1 VAL A 86 -7.192 -7.189 5.376 1.00 0.00 C ATOM 1278 CG2 VAL A 86 -7.962 -5.355 6.898 1.00 0.00 C ATOM 0 H VAL A 86 -6.138 -3.404 6.116 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.312 -5.976 7.034 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.297 -5.120 4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.232 -7.384 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.553 -7.417 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.908 -7.816 6.221 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.991 -5.576 6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.698 -5.932 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.866 -4.291 7.116 1.00 0.00 H new ATOM 1288 N PRO A 87 -3.752 -6.810 5.292 1.00 0.00 N ATOM 1289 CA PRO A 87 -2.807 -7.342 4.306 1.00 0.00 C ATOM 1290 C PRO A 87 -3.494 -8.201 3.250 1.00 0.00 C ATOM 1291 O PRO A 87 -4.297 -9.075 3.573 1.00 0.00 O ATOM 1292 CB PRO A 87 -1.855 -8.194 5.150 1.00 0.00 C ATOM 1293 CG PRO A 87 -2.654 -8.581 6.346 1.00 0.00 C ATOM 1294 CD PRO A 87 -3.580 -7.428 6.618 1.00 0.00 C ATOM 0 HA PRO A 87 -2.310 -6.548 3.749 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.515 -9.071 4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.965 -7.631 5.433 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.215 -9.497 6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.007 -8.772 7.202 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.531 -7.765 7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.151 -6.728 7.335 1.00 0.00 H new ATOM 1302 N ASN A 88 -3.173 -7.945 1.985 1.00 0.00 N ATOM 1303 CA ASN A 88 -3.760 -8.695 0.881 1.00 0.00 C ATOM 1304 C ASN A 88 -2.676 -9.235 -0.047 1.00 0.00 C ATOM 1305 O ASN A 88 -1.962 -8.483 -0.711 1.00 0.00 O ATOM 1306 CB ASN A 88 -4.728 -7.810 0.093 1.00 0.00 C ATOM 1307 CG ASN A 88 -5.058 -8.385 -1.271 1.00 0.00 C ATOM 1308 OD1 ASN A 88 -4.164 -8.681 -2.064 1.00 0.00 O ATOM 1309 ND2 ASN A 88 -6.346 -8.544 -1.550 1.00 0.00 N ATOM 0 H ASN A 88 -2.510 -7.224 1.700 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.309 -9.539 1.299 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.648 -7.685 0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.292 -6.819 -0.030 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.629 -8.925 -2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.053 -8.285 -0.862 1.00 0.00 H new ATOM 1316 N PRO A 89 -2.550 -10.569 -0.097 1.00 0.00 N ATOM 1317 CA PRO A 89 -3.395 -11.474 0.688 1.00 0.00 C ATOM 1318 C PRO A 89 -3.089 -11.403 2.181 1.00 0.00 C ATOM 1319 O PRO A 89 -2.077 -10.845 2.606 1.00 0.00 O ATOM 1320 CB PRO A 89 -3.042 -12.857 0.136 1.00 0.00 C ATOM 1321 CG PRO A 89 -1.664 -12.707 -0.409 1.00 0.00 C ATOM 1322 CD PRO A 89 -1.573 -11.297 -0.924 1.00 0.00 C ATOM 0 HA PRO A 89 -4.452 -11.222 0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -3.078 -13.616 0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.743 -13.164 -0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.917 -12.889 0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.479 -13.426 -1.207 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.568 -10.891 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.821 -11.239 -1.984 1.00 0.00 H new ATOM 1330 N PRO A 90 -3.983 -11.980 2.997 1.00 0.00 N ATOM 1331 CA PRO A 90 -3.830 -11.996 4.455 1.00 0.00 C ATOM 1332 C PRO A 90 -2.687 -12.898 4.907 1.00 0.00 C ATOM 1333 O PRO A 90 -2.438 -13.947 4.311 1.00 0.00 O ATOM 1334 CB PRO A 90 -5.172 -12.544 4.946 1.00 0.00 C ATOM 1335 CG PRO A 90 -5.692 -13.351 3.807 1.00 0.00 C ATOM 1336 CD PRO A 90 -5.213 -12.663 2.559 1.00 0.00 C ATOM 0 HA PRO A 90 -3.587 -11.010 4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.047 -13.155 5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.858 -11.737 5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.323 -14.375 3.854 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.780 -13.403 3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.014 -13.375 1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.952 -11.957 2.181 1.00 0.00 H new ATOM 1344 N ILE A 91 -1.996 -12.485 5.964 1.00 0.00 N ATOM 1345 CA ILE A 91 -0.881 -13.258 6.497 1.00 0.00 C ATOM 1346 C ILE A 91 -1.333 -14.649 6.928 1.00 0.00 C ATOM 1347 O ILE A 91 -0.666 -15.645 6.645 1.00 0.00 O ATOM 1348 CB ILE A 91 -0.227 -12.548 7.697 1.00 0.00 C ATOM 1349 CG1 ILE A 91 0.119 -11.102 7.336 1.00 0.00 C ATOM 1350 CG2 ILE A 91 1.018 -13.300 8.144 1.00 0.00 C ATOM 1351 CD1 ILE A 91 1.143 -10.984 6.228 1.00 0.00 C ATOM 0 H ILE A 91 -2.189 -11.620 6.468 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.148 -13.349 5.695 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.937 -12.536 8.524 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.791 -10.583 7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.496 -10.595 8.224 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.469 -12.786 8.993 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.745 -14.314 8.437 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.733 -13.340 7.323 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.340 -9.931 6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.068 -11.474 6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.760 -11.462 5.326 1.00 0.00 H new ATOM 1363 N ASP A 92 -2.469 -14.710 7.614 1.00 0.00 N ATOM 1364 CA ASP A 92 -3.012 -15.980 8.082 1.00 0.00 C ATOM 1365 C ASP A 92 -4.528 -16.017 7.914 1.00 0.00 C ATOM 1366 O ASP A 92 -5.163 -14.987 7.692 1.00 0.00 O ATOM 1367 CB ASP A 92 -2.643 -16.207 9.549 1.00 0.00 C ATOM 1368 CG ASP A 92 -1.199 -16.635 9.723 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -0.325 -16.071 9.032 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -0.944 -17.535 10.551 1.00 0.00 O ATOM 0 H ASP A 92 -3.032 -13.895 7.858 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.578 -16.777 7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.817 -15.289 10.111 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.298 -16.969 9.972 1.00 0.00 H new ATOM 1375 N GLU A 93 -5.101 -17.212 8.021 1.00 0.00 N ATOM 1376 CA GLU A 93 -6.542 -17.383 7.879 1.00 0.00 C ATOM 1377 C GLU A 93 -7.264 -17.010 9.170 1.00 0.00 C ATOM 1378 O GLU A 93 -8.418 -16.581 9.149 1.00 0.00 O ATOM 1379 CB GLU A 93 -6.871 -18.828 7.496 1.00 0.00 C ATOM 1380 CG GLU A 93 -6.365 -19.853 8.497 1.00 0.00 C ATOM 1381 CD GLU A 93 -6.929 -21.239 8.249 1.00 0.00 C ATOM 1382 OE1 GLU A 93 -8.084 -21.489 8.651 1.00 0.00 O ATOM 1383 OE2 GLU A 93 -6.215 -22.072 7.653 1.00 0.00 O ATOM 0 H GLU A 93 -4.590 -18.075 8.205 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.885 -16.718 7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.952 -18.932 7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.439 -19.043 6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.277 -19.894 8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.629 -19.532 9.505 1.00 0.00 H new ATOM 1390 N LYS A 94 -6.577 -17.177 10.295 1.00 0.00 N ATOM 1391 CA LYS A 94 -7.150 -16.858 11.597 1.00 0.00 C ATOM 1392 C LYS A 94 -7.220 -15.349 11.806 1.00 0.00 C ATOM 1393 O LYS A 94 -8.253 -14.817 12.210 1.00 0.00 O ATOM 1394 CB LYS A 94 -6.322 -17.500 12.713 1.00 0.00 C ATOM 1395 CG LYS A 94 -6.483 -19.008 12.800 1.00 0.00 C ATOM 1396 CD LYS A 94 -6.289 -19.508 14.222 1.00 0.00 C ATOM 1397 CE LYS A 94 -5.999 -21.001 14.252 1.00 0.00 C ATOM 1398 NZ LYS A 94 -4.655 -21.316 13.696 1.00 0.00 N ATOM 0 H LYS A 94 -5.621 -17.532 10.331 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.163 -17.259 11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.270 -17.264 12.555 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.608 -17.057 13.667 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.475 -19.290 12.446 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.761 -19.491 12.142 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.467 -18.967 14.690 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.184 -19.298 14.808 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.061 -21.362 15.278 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.762 -21.531 13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.352 -22.253 14.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.701 -21.316 12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.972 -20.599 14.012 1.00 0.00 H new ATOM 1412 N ASN A 95 -6.116 -14.665 11.525 1.00 0.00 N ATOM 1413 CA ASN A 95 -6.053 -13.217 11.682 1.00 0.00 C ATOM 1414 C ASN A 95 -6.216 -12.517 10.336 1.00 0.00 C ATOM 1415 O ASN A 95 -5.883 -11.341 10.192 1.00 0.00 O ATOM 1416 CB ASN A 95 -4.725 -12.809 12.324 1.00 0.00 C ATOM 1417 CG ASN A 95 -4.335 -13.719 13.472 1.00 0.00 C ATOM 1418 OD1 ASN A 95 -5.013 -13.769 14.498 1.00 0.00 O ATOM 1419 ND2 ASN A 95 -3.235 -14.445 13.303 1.00 0.00 N ATOM 0 H ASN A 95 -5.253 -15.090 11.187 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.872 -12.911 12.333 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -3.939 -12.824 11.569 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.799 -11.783 12.686 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.922 -15.076 14.041 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.704 -14.372 12.435 1.00 0.00 H new ATOM 1426 N ALA A 96 -6.731 -13.249 9.353 1.00 0.00 N ATOM 1427 CA ALA A 96 -6.941 -12.698 8.020 1.00 0.00 C ATOM 1428 C ALA A 96 -7.873 -11.492 8.064 1.00 0.00 C ATOM 1429 O ALA A 96 -7.599 -10.460 7.451 1.00 0.00 O ATOM 1430 CB ALA A 96 -7.499 -13.765 7.090 1.00 0.00 C ATOM 0 H ALA A 96 -7.010 -14.225 9.455 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.977 -12.365 7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.651 -13.340 6.098 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.796 -14.595 7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.451 -14.126 7.480 1.00 0.00 H new ATOM 1436 N THR A 97 -8.976 -11.629 8.794 1.00 0.00 N ATOM 1437 CA THR A 97 -9.949 -10.551 8.917 1.00 0.00 C ATOM 1438 C THR A 97 -9.343 -9.340 9.617 1.00 0.00 C ATOM 1439 O THR A 97 -9.594 -8.199 9.232 1.00 0.00 O ATOM 1440 CB THR A 97 -11.198 -11.008 9.694 1.00 0.00 C ATOM 1441 OG1 THR A 97 -11.805 -12.124 9.034 1.00 0.00 O ATOM 1442 CG2 THR A 97 -12.205 -9.874 9.814 1.00 0.00 C ATOM 0 H THR A 97 -9.217 -12.476 9.309 1.00 0.00 H new ATOM 0 HA THR A 97 -10.242 -10.272 7.905 1.00 0.00 H new ATOM 0 HB THR A 97 -10.887 -11.305 10.696 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.597 -12.409 9.535 1.00 0.00 H new ATOM 0 HG21 THR A 97 -13.079 -10.220 10.366 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.749 -9.037 10.343 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.510 -9.551 8.819 1.00 0.00 H new ATOM 1450 N MET A 98 -8.544 -9.597 10.648 1.00 0.00 N ATOM 1451 CA MET A 98 -7.901 -8.527 11.401 1.00 0.00 C ATOM 1452 C MET A 98 -6.672 -8.006 10.663 1.00 0.00 C ATOM 1453 O MET A 98 -5.930 -8.761 10.034 1.00 0.00 O ATOM 1454 CB MET A 98 -7.504 -9.021 12.793 1.00 0.00 C ATOM 1455 CG MET A 98 -8.571 -8.784 13.850 1.00 0.00 C ATOM 1456 SD MET A 98 -8.141 -9.507 15.445 1.00 0.00 S ATOM 1457 CE MET A 98 -8.739 -8.241 16.562 1.00 0.00 C ATOM 0 H MET A 98 -8.327 -10.536 10.981 1.00 0.00 H new ATOM 0 HA MET A 98 -8.614 -7.709 11.504 1.00 0.00 H new ATOM 0 HB2 MET A 98 -7.285 -10.088 12.742 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.585 -8.521 13.098 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.725 -7.712 13.971 1.00 0.00 H new ATOM 0 HG3 MET A 98 -9.516 -9.205 13.507 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.545 -8.543 17.591 1.00 0.00 H new ATOM 0 HE2 MET A 98 -8.225 -7.302 16.356 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.811 -8.107 16.419 1.00 0.00 H new ATOM 1467 N PRO A 99 -6.449 -6.685 10.741 1.00 0.00 N ATOM 1468 CA PRO A 99 -5.310 -6.035 10.087 1.00 0.00 C ATOM 1469 C PRO A 99 -3.981 -6.396 10.742 1.00 0.00 C ATOM 1470 O PRO A 99 -3.949 -6.934 11.849 1.00 0.00 O ATOM 1471 CB PRO A 99 -5.604 -4.543 10.262 1.00 0.00 C ATOM 1472 CG PRO A 99 -6.468 -4.468 11.473 1.00 0.00 C ATOM 1473 CD PRO A 99 -7.292 -5.726 11.473 1.00 0.00 C ATOM 0 HA PRO A 99 -5.207 -6.344 9.047 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -4.686 -3.971 10.395 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.111 -4.134 9.388 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -5.865 -4.396 12.378 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.105 -3.584 11.444 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.503 -6.068 12.486 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.253 -5.577 10.980 1.00 0.00 H new ATOM 1481 N VAL A 100 -2.885 -6.097 10.052 1.00 0.00 N ATOM 1482 CA VAL A 100 -1.553 -6.389 10.568 1.00 0.00 C ATOM 1483 C VAL A 100 -0.660 -5.155 10.513 1.00 0.00 C ATOM 1484 O VAL A 100 -0.840 -4.280 9.665 1.00 0.00 O ATOM 1485 CB VAL A 100 -0.883 -7.529 9.778 1.00 0.00 C ATOM 1486 CG1 VAL A 100 -1.823 -8.719 9.656 1.00 0.00 C ATOM 1487 CG2 VAL A 100 -0.446 -7.041 8.405 1.00 0.00 C ATOM 0 H VAL A 100 -2.893 -5.653 9.134 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.676 -6.699 11.606 1.00 0.00 H new ATOM 0 HB VAL A 100 0.004 -7.852 10.323 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.332 -9.514 9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.081 -9.083 10.651 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.730 -8.414 9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.025 -7.860 7.861 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.316 -6.690 7.850 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.266 -6.224 8.519 1.00 0.00 H new ATOM 1497 N THR A 101 0.306 -5.089 11.425 1.00 0.00 N ATOM 1498 CA THR A 101 1.227 -3.962 11.482 1.00 0.00 C ATOM 1499 C THR A 101 2.164 -3.955 10.279 1.00 0.00 C ATOM 1500 O THR A 101 2.682 -4.997 9.879 1.00 0.00 O ATOM 1501 CB THR A 101 2.068 -3.988 12.772 1.00 0.00 C ATOM 1502 OG1 THR A 101 1.209 -4.075 13.915 1.00 0.00 O ATOM 1503 CG2 THR A 101 2.936 -2.743 12.878 1.00 0.00 C ATOM 0 H THR A 101 0.470 -5.804 12.134 1.00 0.00 H new ATOM 0 HA THR A 101 0.619 -3.057 11.471 1.00 0.00 H new ATOM 0 HB THR A 101 2.718 -4.863 12.738 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.751 -4.093 14.731 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.521 -2.784 13.797 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.609 -2.695 12.022 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.301 -1.857 12.891 1.00 0.00 H new ATOM 1511 N MET A 102 2.376 -2.775 9.707 1.00 0.00 N ATOM 1512 CA MET A 102 3.253 -2.634 8.550 1.00 0.00 C ATOM 1513 C MET A 102 4.226 -1.476 8.743 1.00 0.00 C ATOM 1514 O MET A 102 3.920 -0.503 9.433 1.00 0.00 O ATOM 1515 CB MET A 102 2.426 -2.415 7.281 1.00 0.00 C ATOM 1516 CG MET A 102 1.729 -3.671 6.785 1.00 0.00 C ATOM 1517 SD MET A 102 1.380 -3.621 5.017 1.00 0.00 S ATOM 1518 CE MET A 102 2.084 -5.180 4.488 1.00 0.00 C ATOM 0 H MET A 102 1.953 -1.903 10.025 1.00 0.00 H new ATOM 0 HA MET A 102 3.828 -3.554 8.447 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.678 -1.646 7.473 1.00 0.00 H new ATOM 0 HB3 MET A 102 3.078 -2.036 6.494 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.352 -4.538 7.004 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.795 -3.804 7.332 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.947 -5.295 3.413 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.149 -5.196 4.722 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.586 -5.999 5.007 1.00 0.00 H new ATOM 1528 N LEU A 103 5.399 -1.586 8.130 1.00 0.00 N ATOM 1529 CA LEU A 103 6.418 -0.547 8.235 1.00 0.00 C ATOM 1530 C LEU A 103 6.973 -0.188 6.860 1.00 0.00 C ATOM 1531 O LEU A 103 7.560 -1.029 6.178 1.00 0.00 O ATOM 1532 CB LEU A 103 7.553 -1.009 9.151 1.00 0.00 C ATOM 1533 CG LEU A 103 8.538 0.072 9.597 1.00 0.00 C ATOM 1534 CD1 LEU A 103 9.270 0.655 8.398 1.00 0.00 C ATOM 1535 CD2 LEU A 103 7.814 1.168 10.366 1.00 0.00 C ATOM 0 H LEU A 103 5.669 -2.384 7.555 1.00 0.00 H new ATOM 0 HA LEU A 103 5.953 0.342 8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.114 -1.461 10.040 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.111 -1.792 8.638 1.00 0.00 H new ATOM 0 HG LEU A 103 9.274 -0.385 10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.967 1.423 8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.820 -0.136 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.548 1.096 7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.530 1.929 10.676 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.056 1.621 9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.336 0.739 11.247 1.00 0.00 H new ATOM 1547 N ILE A 104 6.787 1.065 6.461 1.00 0.00 N ATOM 1548 CA ILE A 104 7.272 1.536 5.170 1.00 0.00 C ATOM 1549 C ILE A 104 8.659 2.155 5.296 1.00 0.00 C ATOM 1550 O ILE A 104 8.830 3.196 5.932 1.00 0.00 O ATOM 1551 CB ILE A 104 6.314 2.572 4.552 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.927 1.958 4.349 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.870 3.087 3.233 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.809 2.977 4.357 1.00 0.00 C ATOM 0 H ILE A 104 6.304 1.773 7.014 1.00 0.00 H new ATOM 0 HA ILE A 104 7.323 0.665 4.516 1.00 0.00 H new ATOM 0 HB ILE A 104 6.221 3.414 5.238 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.911 1.421 3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.745 1.224 5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 104 6.182 3.818 2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.838 3.557 3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.989 2.255 2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.855 2.471 4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.798 3.498 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.967 3.697 3.554 1.00 0.00 H new ATOM 1566 N ARG A 105 9.648 1.509 4.686 1.00 0.00 N ATOM 1567 CA ARG A 105 11.021 1.997 4.729 1.00 0.00 C ATOM 1568 C ARG A 105 11.381 2.723 3.436 1.00 0.00 C ATOM 1569 O ARG A 105 11.476 2.109 2.373 1.00 0.00 O ATOM 1570 CB ARG A 105 11.990 0.836 4.963 1.00 0.00 C ATOM 1571 CG ARG A 105 13.370 1.278 5.421 1.00 0.00 C ATOM 1572 CD ARG A 105 14.238 1.703 4.247 1.00 0.00 C ATOM 1573 NE ARG A 105 15.616 1.965 4.652 1.00 0.00 N ATOM 1574 CZ ARG A 105 16.532 1.014 4.800 1.00 0.00 C ATOM 1575 NH1 ARG A 105 16.218 -0.254 4.577 1.00 0.00 N ATOM 1576 NH2 ARG A 105 17.766 1.332 5.171 1.00 0.00 N ATOM 0 H ARG A 105 9.524 0.646 4.156 1.00 0.00 H new ATOM 0 HA ARG A 105 11.104 2.702 5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.566 0.165 5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.088 0.264 4.040 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.273 2.107 6.122 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.855 0.462 5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 105 14.226 0.923 3.486 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.818 2.599 3.791 1.00 0.00 H new ATOM 0 HE ARG A 105 15.891 2.931 4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.271 -0.502 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 105 16.923 -0.982 4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 105 18.012 2.307 5.343 1.00 0.00 H new ATOM 0 HH22 ARG A 105 18.469 0.601 5.284 1.00 0.00 H new ATOM 1590 N VAL A 106 11.582 4.033 3.535 1.00 0.00 N ATOM 1591 CA VAL A 106 11.932 4.842 2.374 1.00 0.00 C ATOM 1592 C VAL A 106 13.434 5.099 2.316 1.00 0.00 C ATOM 1593 O VAL A 106 14.147 4.905 3.302 1.00 0.00 O ATOM 1594 CB VAL A 106 11.192 6.193 2.387 1.00 0.00 C ATOM 1595 CG1 VAL A 106 9.710 5.993 2.108 1.00 0.00 C ATOM 1596 CG2 VAL A 106 11.402 6.902 3.717 1.00 0.00 C ATOM 0 H VAL A 106 11.508 4.557 4.407 1.00 0.00 H new ATOM 0 HA VAL A 106 11.628 4.278 1.492 1.00 0.00 H new ATOM 0 HB VAL A 106 11.604 6.821 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.204 6.958 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.583 5.530 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.280 5.347 2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.872 7.855 3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.018 6.280 4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 106 12.466 7.080 3.870 1.00 0.00 H new ATOM 1606 N LYS A 107 13.910 5.536 1.156 1.00 0.00 N ATOM 1607 CA LYS A 107 15.327 5.822 0.968 1.00 0.00 C ATOM 1608 C LYS A 107 15.746 7.048 1.772 1.00 0.00 C ATOM 1609 O LYS A 107 16.723 7.009 2.521 1.00 0.00 O ATOM 1610 CB LYS A 107 15.632 6.043 -0.516 1.00 0.00 C ATOM 1611 CG LYS A 107 17.099 6.315 -0.801 1.00 0.00 C ATOM 1612 CD LYS A 107 17.479 5.896 -2.211 1.00 0.00 C ATOM 1613 CE LYS A 107 17.786 4.408 -2.287 1.00 0.00 C ATOM 1614 NZ LYS A 107 18.679 4.084 -3.434 1.00 0.00 N ATOM 0 H LYS A 107 13.334 5.700 0.330 1.00 0.00 H new ATOM 0 HA LYS A 107 15.896 4.963 1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 107 15.318 5.163 -1.078 1.00 0.00 H new ATOM 0 HB3 LYS A 107 15.038 6.882 -0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.306 7.377 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.716 5.777 -0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 107 16.665 6.136 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 107 18.349 6.465 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 107 18.257 4.086 -1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 107 16.855 3.849 -2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 18.865 3.061 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 18.219 4.368 -4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 19.578 4.597 -3.330 1.00 0.00 H new ATOM 1628 N THR A 108 15.000 8.138 1.614 1.00 0.00 N ATOM 1629 CA THR A 108 15.294 9.375 2.326 1.00 0.00 C ATOM 1630 C THR A 108 14.227 9.674 3.372 1.00 0.00 C ATOM 1631 O THR A 108 13.041 9.429 3.151 1.00 0.00 O ATOM 1632 CB THR A 108 15.397 10.569 1.358 1.00 0.00 C ATOM 1633 OG1 THR A 108 14.232 10.627 0.526 1.00 0.00 O ATOM 1634 CG2 THR A 108 16.641 10.456 0.489 1.00 0.00 C ATOM 0 H THR A 108 14.188 8.188 0.999 1.00 0.00 H new ATOM 0 HA THR A 108 16.255 9.234 2.821 1.00 0.00 H new ATOM 0 HB THR A 108 15.468 11.482 1.949 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.304 11.389 -0.085 1.00 0.00 H new ATOM 0 HG21 THR A 108 16.692 11.310 -0.186 1.00 0.00 H new ATOM 0 HG22 THR A 108 17.528 10.441 1.123 1.00 0.00 H new ATOM 0 HG23 THR A 108 16.596 9.536 -0.093 1.00 0.00 H new ATOM 1642 N SER A 109 14.656 10.206 4.512 1.00 0.00 N ATOM 1643 CA SER A 109 13.737 10.536 5.595 1.00 0.00 C ATOM 1644 C SER A 109 12.636 11.474 5.107 1.00 0.00 C ATOM 1645 O SER A 109 11.457 11.260 5.384 1.00 0.00 O ATOM 1646 CB SER A 109 14.494 11.182 6.757 1.00 0.00 C ATOM 1647 OG SER A 109 15.222 12.318 6.322 1.00 0.00 O ATOM 0 H SER A 109 15.634 10.418 4.710 1.00 0.00 H new ATOM 0 HA SER A 109 13.276 9.611 5.941 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.790 11.474 7.536 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.176 10.456 7.199 1.00 0.00 H new ATOM 0 HG SER A 109 15.696 12.714 7.083 1.00 0.00 H new ATOM 1653 N GLU A 110 13.033 12.512 4.378 1.00 0.00 N ATOM 1654 CA GLU A 110 12.081 13.483 3.851 1.00 0.00 C ATOM 1655 C GLU A 110 10.928 12.783 3.138 1.00 0.00 C ATOM 1656 O GLU A 110 9.760 13.103 3.360 1.00 0.00 O ATOM 1657 CB GLU A 110 12.780 14.447 2.890 1.00 0.00 C ATOM 1658 CG GLU A 110 13.527 13.750 1.765 1.00 0.00 C ATOM 1659 CD GLU A 110 14.665 14.587 1.215 1.00 0.00 C ATOM 1660 OE1 GLU A 110 14.472 15.808 1.039 1.00 0.00 O ATOM 1661 OE2 GLU A 110 15.748 14.021 0.958 1.00 0.00 O ATOM 0 H GLU A 110 14.006 12.702 4.139 1.00 0.00 H new ATOM 0 HA GLU A 110 11.676 14.049 4.690 1.00 0.00 H new ATOM 0 HB2 GLU A 110 12.038 15.120 2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 110 13.481 15.063 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 110 13.921 12.801 2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 110 12.830 13.518 0.960 1.00 0.00 H new ATOM 1668 N ASP A 111 11.265 11.827 2.279 1.00 0.00 N ATOM 1669 CA ASP A 111 10.259 11.080 1.532 1.00 0.00 C ATOM 1670 C ASP A 111 9.154 10.581 2.458 1.00 0.00 C ATOM 1671 O ASP A 111 7.969 10.746 2.172 1.00 0.00 O ATOM 1672 CB ASP A 111 10.905 9.899 0.806 1.00 0.00 C ATOM 1673 CG ASP A 111 11.587 10.314 -0.483 1.00 0.00 C ATOM 1674 OD1 ASP A 111 11.880 11.518 -0.637 1.00 0.00 O ATOM 1675 OD2 ASP A 111 11.826 9.436 -1.337 1.00 0.00 O ATOM 0 H ASP A 111 12.227 11.551 2.083 1.00 0.00 H new ATOM 0 HA ASP A 111 9.816 11.751 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.635 9.427 1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.143 9.151 0.586 1.00 0.00 H new ATOM 1680 N ALA A 112 9.551 9.969 3.569 1.00 0.00 N ATOM 1681 CA ALA A 112 8.595 9.447 4.538 1.00 0.00 C ATOM 1682 C ALA A 112 7.591 10.519 4.950 1.00 0.00 C ATOM 1683 O ALA A 112 6.382 10.336 4.810 1.00 0.00 O ATOM 1684 CB ALA A 112 9.323 8.906 5.759 1.00 0.00 C ATOM 0 H ALA A 112 10.529 9.822 3.820 1.00 0.00 H new ATOM 0 HA ALA A 112 8.045 8.633 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 112 8.597 8.520 6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 112 9.996 8.104 5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 112 9.899 9.706 6.223 1.00 0.00 H new ATOM 1690 N ASP A 113 8.100 11.635 5.459 1.00 0.00 N ATOM 1691 CA ASP A 113 7.247 12.736 5.891 1.00 0.00 C ATOM 1692 C ASP A 113 6.176 13.037 4.847 1.00 0.00 C ATOM 1693 O ASP A 113 4.998 13.172 5.175 1.00 0.00 O ATOM 1694 CB ASP A 113 8.087 13.988 6.152 1.00 0.00 C ATOM 1695 CG ASP A 113 7.234 15.205 6.453 1.00 0.00 C ATOM 1696 OD1 ASP A 113 6.084 15.026 6.904 1.00 0.00 O ATOM 1697 OD2 ASP A 113 7.717 16.336 6.235 1.00 0.00 O ATOM 0 H ASP A 113 9.099 11.801 5.583 1.00 0.00 H new ATOM 0 HA ASP A 113 6.754 12.438 6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.759 13.803 6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.711 14.191 5.282 1.00 0.00 H new ATOM 1702 N GLU A 114 6.595 13.140 3.590 1.00 0.00 N ATOM 1703 CA GLU A 114 5.671 13.426 2.499 1.00 0.00 C ATOM 1704 C GLU A 114 4.639 12.311 2.353 1.00 0.00 C ATOM 1705 O GLU A 114 3.434 12.566 2.316 1.00 0.00 O ATOM 1706 CB GLU A 114 6.436 13.602 1.185 1.00 0.00 C ATOM 1707 CG GLU A 114 5.599 14.205 0.069 1.00 0.00 C ATOM 1708 CD GLU A 114 6.421 14.540 -1.160 1.00 0.00 C ATOM 1709 OE1 GLU A 114 7.137 13.646 -1.658 1.00 0.00 O ATOM 1710 OE2 GLU A 114 6.348 15.697 -1.624 1.00 0.00 O ATOM 0 H GLU A 114 7.567 13.030 3.302 1.00 0.00 H new ATOM 0 HA GLU A 114 5.149 14.353 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.303 14.238 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.813 12.632 0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.809 13.506 -0.206 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.112 15.109 0.433 1.00 0.00 H new ATOM 1717 N LEU A 115 5.119 11.076 2.270 1.00 0.00 N ATOM 1718 CA LEU A 115 4.240 9.921 2.128 1.00 0.00 C ATOM 1719 C LEU A 115 3.105 9.972 3.146 1.00 0.00 C ATOM 1720 O LEU A 115 1.934 9.823 2.794 1.00 0.00 O ATOM 1721 CB LEU A 115 5.035 8.625 2.298 1.00 0.00 C ATOM 1722 CG LEU A 115 4.212 7.359 2.540 1.00 0.00 C ATOM 1723 CD1 LEU A 115 3.320 7.066 1.343 1.00 0.00 C ATOM 1724 CD2 LEU A 115 5.125 6.177 2.830 1.00 0.00 C ATOM 0 H LEU A 115 6.113 10.848 2.299 1.00 0.00 H new ATOM 0 HA LEU A 115 3.808 9.946 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.642 8.475 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.724 8.752 3.133 1.00 0.00 H new ATOM 0 HG LEU A 115 3.576 7.522 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.742 6.162 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.641 7.903 1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.937 6.923 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.522 5.285 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.787 6.011 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.721 6.387 3.718 1.00 0.00 H new ATOM 1736 N HIS A 116 3.459 10.186 4.409 1.00 0.00 N ATOM 1737 CA HIS A 116 2.470 10.260 5.479 1.00 0.00 C ATOM 1738 C HIS A 116 1.438 11.346 5.190 1.00 0.00 C ATOM 1739 O HIS A 116 0.235 11.084 5.170 1.00 0.00 O ATOM 1740 CB HIS A 116 3.155 10.535 6.818 1.00 0.00 C ATOM 1741 CG HIS A 116 2.242 10.395 7.997 1.00 0.00 C ATOM 1742 ND1 HIS A 116 1.824 11.468 8.756 1.00 0.00 N ATOM 1743 CD2 HIS A 116 1.666 9.300 8.545 1.00 0.00 C ATOM 1744 CE1 HIS A 116 1.031 11.038 9.722 1.00 0.00 C ATOM 1745 NE2 HIS A 116 0.918 9.727 9.616 1.00 0.00 N ATOM 0 H HIS A 116 4.423 10.311 4.717 1.00 0.00 H new ATOM 0 HA HIS A 116 1.957 9.300 5.533 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.994 9.849 6.935 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.567 11.544 6.806 1.00 0.00 H new ATOM 0 HD1 HIS A 116 2.086 12.441 8.597 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.774 8.281 8.204 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.556 11.654 10.471 1.00 0.00 H new ATOM 1753 N LYS A 117 1.915 12.565 4.966 1.00 0.00 N ATOM 1754 CA LYS A 117 1.035 13.691 4.678 1.00 0.00 C ATOM 1755 C LYS A 117 0.041 13.336 3.577 1.00 0.00 C ATOM 1756 O LYS A 117 -1.172 13.360 3.793 1.00 0.00 O ATOM 1757 CB LYS A 117 1.857 14.914 4.262 1.00 0.00 C ATOM 1758 CG LYS A 117 2.371 15.729 5.437 1.00 0.00 C ATOM 1759 CD LYS A 117 2.627 17.174 5.043 1.00 0.00 C ATOM 1760 CE LYS A 117 1.392 18.036 5.253 1.00 0.00 C ATOM 1761 NZ LYS A 117 0.495 18.019 4.065 1.00 0.00 N ATOM 0 H LYS A 117 2.908 12.799 4.978 1.00 0.00 H new ATOM 0 HA LYS A 117 0.478 13.926 5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.704 14.585 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.245 15.554 3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.645 15.695 6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.292 15.285 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.454 17.572 5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.930 17.219 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.845 17.680 6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.696 19.061 5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.111 18.864 4.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.068 18.015 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.099 17.166 4.091 1.00 0.00 H new ATOM 1775 N ILE A 118 0.561 13.007 2.400 1.00 0.00 N ATOM 1776 CA ILE A 118 -0.283 12.645 1.267 1.00 0.00 C ATOM 1777 C ILE A 118 -1.329 11.611 1.669 1.00 0.00 C ATOM 1778 O ILE A 118 -2.480 11.675 1.236 1.00 0.00 O ATOM 1779 CB ILE A 118 0.552 12.087 0.100 1.00 0.00 C ATOM 1780 CG1 ILE A 118 1.583 13.121 -0.359 1.00 0.00 C ATOM 1781 CG2 ILE A 118 -0.354 11.686 -1.055 1.00 0.00 C ATOM 1782 CD1 ILE A 118 2.662 12.544 -1.249 1.00 0.00 C ATOM 0 H ILE A 118 1.562 12.983 2.205 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.784 13.557 0.942 1.00 0.00 H new ATOM 0 HB ILE A 118 1.084 11.200 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 118 1.071 13.920 -0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 118 2.049 13.572 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 118 0.251 11.293 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -1.053 10.920 -0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -0.910 12.557 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.357 13.333 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 118 3.200 11.764 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 118 2.207 12.118 -2.143 1.00 0.00 H new ATOM 1794 N LEU A 119 -0.922 10.659 2.502 1.00 0.00 N ATOM 1795 CA LEU A 119 -1.824 9.611 2.965 1.00 0.00 C ATOM 1796 C LEU A 119 -2.921 10.190 3.853 1.00 0.00 C ATOM 1797 O LEU A 119 -4.056 9.712 3.848 1.00 0.00 O ATOM 1798 CB LEU A 119 -1.044 8.540 3.730 1.00 0.00 C ATOM 1799 CG LEU A 119 -0.243 7.556 2.877 1.00 0.00 C ATOM 1800 CD1 LEU A 119 0.653 6.696 3.755 1.00 0.00 C ATOM 1801 CD2 LEU A 119 -1.177 6.684 2.050 1.00 0.00 C ATOM 0 H LEU A 119 0.027 10.592 2.870 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.292 9.156 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.358 9.038 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.747 7.973 4.340 1.00 0.00 H new ATOM 0 HG LEU A 119 0.389 8.126 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.216 6.002 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.346 7.334 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 119 0.040 6.135 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.590 5.990 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.834 6.123 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -1.777 7.314 1.394 1.00 0.00 H new ATOM 1813 N LEU A 120 -2.575 11.222 4.614 1.00 0.00 N ATOM 1814 CA LEU A 120 -3.530 11.869 5.507 1.00 0.00 C ATOM 1815 C LEU A 120 -4.486 12.764 4.725 1.00 0.00 C ATOM 1816 O LEU A 120 -5.700 12.710 4.919 1.00 0.00 O ATOM 1817 CB LEU A 120 -2.793 12.691 6.565 1.00 0.00 C ATOM 1818 CG LEU A 120 -2.313 11.924 7.798 1.00 0.00 C ATOM 1819 CD1 LEU A 120 -3.491 11.306 8.535 1.00 0.00 C ATOM 1820 CD2 LEU A 120 -1.309 10.851 7.400 1.00 0.00 C ATOM 0 H LEU A 120 -1.640 11.629 4.631 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.112 11.091 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.929 13.160 6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.451 13.494 6.895 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.819 12.626 8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.130 10.764 9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.175 12.093 8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -4.014 10.617 7.872 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.978 10.315 8.289 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.779 10.152 6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.450 11.317 6.917 1.00 0.00 H new ATOM 1832 N GLU A 121 -3.929 13.586 3.841 1.00 0.00 N ATOM 1833 CA GLU A 121 -4.733 14.492 3.029 1.00 0.00 C ATOM 1834 C GLU A 121 -5.651 13.713 2.092 1.00 0.00 C ATOM 1835 O GLU A 121 -6.828 14.043 1.940 1.00 0.00 O ATOM 1836 CB GLU A 121 -3.830 15.423 2.218 1.00 0.00 C ATOM 1837 CG GLU A 121 -2.983 14.701 1.184 1.00 0.00 C ATOM 1838 CD GLU A 121 -1.855 15.563 0.649 1.00 0.00 C ATOM 1839 OE1 GLU A 121 -1.080 16.102 1.467 1.00 0.00 O ATOM 1840 OE2 GLU A 121 -1.748 15.698 -0.588 1.00 0.00 O ATOM 0 H GLU A 121 -2.925 13.643 3.669 1.00 0.00 H new ATOM 0 HA GLU A 121 -5.350 15.090 3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.448 16.166 1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -3.173 15.963 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -2.565 13.798 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -3.618 14.385 0.356 1.00 0.00 H new ATOM 1847 N LYS A 122 -5.105 12.677 1.464 1.00 0.00 N ATOM 1848 CA LYS A 122 -5.873 11.848 0.542 1.00 0.00 C ATOM 1849 C LYS A 122 -7.102 11.264 1.230 1.00 0.00 C ATOM 1850 O LYS A 122 -8.202 11.278 0.677 1.00 0.00 O ATOM 1851 CB LYS A 122 -4.999 10.720 -0.011 1.00 0.00 C ATOM 1852 CG LYS A 122 -3.990 11.184 -1.047 1.00 0.00 C ATOM 1853 CD LYS A 122 -4.662 11.520 -2.368 1.00 0.00 C ATOM 1854 CE LYS A 122 -4.953 10.267 -3.180 1.00 0.00 C ATOM 1855 NZ LYS A 122 -5.841 10.553 -4.341 1.00 0.00 N ATOM 0 H LYS A 122 -4.132 12.391 1.577 1.00 0.00 H new ATOM 0 HA LYS A 122 -6.206 12.478 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.468 10.246 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.641 9.960 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -3.461 12.061 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.244 10.405 -1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.592 12.056 -2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.021 12.187 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.016 9.839 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.422 9.520 -2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.561 9.806 -4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.309 11.472 -4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.275 10.581 -5.213 1.00 0.00 H new ATOM 1869 N LYS A 123 -6.909 10.750 2.440 1.00 0.00 N ATOM 1870 CA LYS A 123 -8.002 10.163 3.206 1.00 0.00 C ATOM 1871 C LYS A 123 -8.953 11.242 3.712 1.00 0.00 C ATOM 1872 O LYS A 123 -10.162 11.025 3.801 1.00 0.00 O ATOM 1873 CB LYS A 123 -7.450 9.359 4.386 1.00 0.00 C ATOM 1874 CG LYS A 123 -6.751 10.213 5.430 1.00 0.00 C ATOM 1875 CD LYS A 123 -6.680 9.506 6.773 1.00 0.00 C ATOM 1876 CE LYS A 123 -5.626 8.409 6.770 1.00 0.00 C ATOM 1877 NZ LYS A 123 -6.175 7.114 6.281 1.00 0.00 N ATOM 0 H LYS A 123 -6.005 10.728 2.912 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.557 9.495 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -8.268 8.817 4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -6.749 8.613 4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.743 10.452 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -7.282 11.158 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -6.451 10.230 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -7.653 9.077 7.011 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -4.790 8.710 6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -5.234 8.279 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -5.529 6.342 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.106 6.947 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -6.274 7.148 5.246 1.00 0.00 H new ATOM 1891 N ASP A 124 -8.400 12.404 4.042 1.00 0.00 N ATOM 1892 CA ASP A 124 -9.200 13.518 4.537 1.00 0.00 C ATOM 1893 C ASP A 124 -10.400 13.771 3.629 1.00 0.00 C ATOM 1894 O ASP A 124 -11.534 13.869 4.095 1.00 0.00 O ATOM 1895 CB ASP A 124 -8.346 14.782 4.638 1.00 0.00 C ATOM 1896 CG ASP A 124 -9.179 16.027 4.871 1.00 0.00 C ATOM 1897 OD1 ASP A 124 -9.897 16.079 5.892 1.00 0.00 O ATOM 1898 OD2 ASP A 124 -9.112 16.951 4.033 1.00 0.00 O ATOM 0 H ASP A 124 -7.401 12.599 3.976 1.00 0.00 H new ATOM 0 HA ASP A 124 -9.567 13.257 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -7.631 14.669 5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -7.769 14.901 3.721 1.00 0.00 H new ATOM 1903 N ALA A 125 -10.140 13.879 2.330 1.00 0.00 N ATOM 1904 CA ALA A 125 -11.197 14.120 1.357 1.00 0.00 C ATOM 1905 C ALA A 125 -12.182 12.956 1.316 1.00 0.00 C ATOM 1906 O ALA A 125 -11.874 11.854 1.771 1.00 0.00 O ATOM 1907 CB ALA A 125 -10.601 14.358 -0.023 1.00 0.00 C ATOM 0 H ALA A 125 -9.206 13.803 1.928 1.00 0.00 H new ATOM 0 HA ALA A 125 -11.742 15.013 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -11.403 14.537 -0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -9.943 15.227 0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -10.030 13.481 -0.329 1.00 0.00 H new