USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 458 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 50 ASN : amide:sc= -4.3 K(o=-4.5,f=-8.5!) USER MOD Set 1.2: A 52 THR OG1 : rot -46:sc= -0.155 USER MOD Set 2.1: A 41 SER OG : rot -75:sc= 0.195 USER MOD Set 2.2: A 75 SER OG : rot 119:sc= -0.271 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0652 X(o=-0.065,f=0) USER MOD Single : A 55 THR OG1 : rot 149:sc= 0.438 USER MOD Single : A 56 ASN : amide:sc= -0.765 K(o=-0.77,f=-2.4!) USER MOD Single : A 58 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-1.2) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 41:sc= 0.223 USER MOD Single : A 72 THR OG1 : rot 40:sc= 0.387 USER MOD Single : A 78 MET CE :methyl 140:sc= -0.424 (180deg=-3.83!) USER MOD Single : A 79 LYS NZ :NH3+ 154:sc= -0.127 (180deg=-0.939) USER MOD Single : A 98 THR OG1 : rot -110:sc= -0.613 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.904 USER MOD Single : A 105 ASN : amide:sc= -0.149 K(o=-0.15,f=-5!) USER MOD Single : A 108 ASN : amide:sc= -3.96 K(o=-4,f=-11!) USER MOD Single : A 109 GLN : amide:sc= -2! C(o=-2!,f=-3.5!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc=-0.00861 X(o=-0.0086,f=0) USER MOD Single : A 114 THR OG1 : rot 23:sc= 0.231 USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 34 86.361 18.445 -4.788 1.00 0.00 N ATOM 85 CA PRO A 34 85.469 17.439 -5.446 1.00 0.00 C ATOM 86 C PRO A 34 86.176 16.759 -6.628 1.00 0.00 C ATOM 87 O PRO A 34 86.628 17.421 -7.546 1.00 0.00 O ATOM 88 CB PRO A 34 84.293 18.287 -5.941 1.00 0.00 C ATOM 89 CG PRO A 34 84.327 19.490 -5.065 1.00 0.00 C ATOM 90 CD PRO A 34 85.782 19.799 -4.902 1.00 0.00 C ATOM 0 HA PRO A 34 85.172 16.634 -4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 34 84.407 18.554 -6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 34 83.348 17.752 -5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 34 83.793 20.325 -5.518 1.00 0.00 H new ATOM 0 HG3 PRO A 34 83.854 19.293 -4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 34 86.183 20.346 -5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 34 85.976 20.404 -4.016 1.00 0.00 H new ATOM 98 N PHE A 35 86.275 15.450 -6.603 1.00 0.00 N ATOM 99 CA PHE A 35 86.640 14.679 -7.838 1.00 0.00 C ATOM 100 C PHE A 35 86.165 13.223 -7.716 1.00 0.00 C ATOM 101 O PHE A 35 86.927 12.289 -7.902 1.00 0.00 O ATOM 102 CB PHE A 35 88.172 14.769 -7.959 1.00 0.00 C ATOM 103 CG PHE A 35 88.933 14.327 -6.728 1.00 0.00 C ATOM 104 CD1 PHE A 35 89.230 15.275 -5.703 1.00 0.00 C ATOM 105 CD2 PHE A 35 89.357 12.968 -6.588 1.00 0.00 C ATOM 106 CE1 PHE A 35 89.949 14.869 -4.536 1.00 0.00 C ATOM 107 CE2 PHE A 35 90.076 12.560 -5.423 1.00 0.00 C ATOM 108 CZ PHE A 35 90.371 13.510 -4.396 1.00 0.00 C ATOM 0 H PHE A 35 86.117 14.878 -5.774 1.00 0.00 H new ATOM 0 HA PHE A 35 86.161 15.085 -8.729 1.00 0.00 H new ATOM 0 HB2 PHE A 35 88.492 14.160 -8.805 1.00 0.00 H new ATOM 0 HB3 PHE A 35 88.444 15.800 -8.187 1.00 0.00 H new ATOM 0 HD1 PHE A 35 88.911 16.301 -5.809 1.00 0.00 H new ATOM 0 HD2 PHE A 35 89.133 12.250 -7.363 1.00 0.00 H new ATOM 0 HE1 PHE A 35 90.173 15.588 -3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.397 11.534 -5.318 1.00 0.00 H new ATOM 0 HZ PHE A 35 90.913 13.201 -3.514 1.00 0.00 H new ATOM 118 N LEU A 36 84.899 13.034 -7.408 1.00 0.00 N ATOM 119 CA LEU A 36 84.345 11.658 -7.218 1.00 0.00 C ATOM 120 C LEU A 36 82.826 11.672 -7.404 1.00 0.00 C ATOM 121 O LEU A 36 82.112 12.287 -6.632 1.00 0.00 O ATOM 122 CB LEU A 36 84.708 11.285 -5.781 1.00 0.00 C ATOM 123 CG LEU A 36 84.395 9.807 -5.537 1.00 0.00 C ATOM 124 CD1 LEU A 36 85.420 8.938 -6.267 1.00 0.00 C ATOM 125 CD2 LEU A 36 84.461 9.517 -4.035 1.00 0.00 C ATOM 0 H LEU A 36 84.222 13.786 -7.280 1.00 0.00 H new ATOM 0 HA LEU A 36 84.745 10.945 -7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 36 85.766 11.477 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.148 11.906 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 36 83.397 9.581 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 36 85.195 7.886 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 36 85.377 9.145 -7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 36 86.419 9.163 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 36 84.238 8.465 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 36 85.460 9.744 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 36 83.731 10.135 -3.513 1.00 0.00 H new ATOM 137 N LYS A 37 82.338 11.001 -8.423 1.00 0.00 N ATOM 138 CA LYS A 37 80.864 10.940 -8.670 1.00 0.00 C ATOM 139 C LYS A 37 80.292 9.620 -8.148 1.00 0.00 C ATOM 140 O LYS A 37 80.830 8.560 -8.418 1.00 0.00 O ATOM 141 CB LYS A 37 80.717 11.018 -10.191 1.00 0.00 C ATOM 142 CG LYS A 37 79.257 11.305 -10.549 1.00 0.00 C ATOM 143 CD LYS A 37 79.035 11.042 -12.040 1.00 0.00 C ATOM 144 CE LYS A 37 79.697 12.153 -12.860 1.00 0.00 C ATOM 145 NZ LYS A 37 78.954 12.173 -14.150 1.00 0.00 N ATOM 0 H LYS A 37 82.905 10.489 -9.099 1.00 0.00 H new ATOM 0 HA LYS A 37 80.328 11.742 -8.163 1.00 0.00 H new ATOM 0 HB2 LYS A 37 81.361 11.802 -10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 37 81.037 10.081 -10.646 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.595 10.674 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 37 79.010 12.340 -10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 37 79.453 10.074 -12.315 1.00 0.00 H new ATOM 0 HD3 LYS A 37 77.968 11.002 -12.258 1.00 0.00 H new ATOM 0 HE2 LYS A 37 79.629 13.114 -12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 37 80.756 11.950 -13.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 79.350 12.910 -14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 79.042 11.247 -14.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 77.950 12.375 -13.969 1.00 0.00 H new ATOM 159 N CYS A 38 79.211 9.685 -7.402 1.00 0.00 N ATOM 160 CA CYS A 38 78.596 8.444 -6.826 1.00 0.00 C ATOM 161 C CYS A 38 77.175 8.275 -7.373 1.00 0.00 C ATOM 162 O CYS A 38 76.452 9.245 -7.514 1.00 0.00 O ATOM 163 CB CYS A 38 78.535 8.657 -5.305 1.00 0.00 C ATOM 164 SG CYS A 38 80.183 8.962 -4.606 1.00 0.00 S ATOM 0 H CYS A 38 78.726 10.551 -7.167 1.00 0.00 H new ATOM 0 HA CYS A 38 79.174 7.557 -7.084 1.00 0.00 H new ATOM 0 HB2 CYS A 38 77.882 9.501 -5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 38 78.095 7.779 -4.831 1.00 0.00 H new ATOM 169 N TYR A 39 76.782 7.060 -7.681 1.00 0.00 N ATOM 170 CA TYR A 39 75.377 6.805 -8.143 1.00 0.00 C ATOM 171 C TYR A 39 74.443 6.685 -6.936 1.00 0.00 C ATOM 172 O TYR A 39 74.835 6.188 -5.895 1.00 0.00 O ATOM 173 CB TYR A 39 75.428 5.484 -8.916 1.00 0.00 C ATOM 174 CG TYR A 39 74.117 5.116 -9.569 1.00 0.00 C ATOM 175 CD1 TYR A 39 73.831 5.561 -10.897 1.00 0.00 C ATOM 176 CD2 TYR A 39 73.162 4.330 -8.857 1.00 0.00 C ATOM 177 CE1 TYR A 39 72.589 5.217 -11.514 1.00 0.00 C ATOM 178 CE2 TYR A 39 71.917 3.985 -9.474 1.00 0.00 C ATOM 179 CZ TYR A 39 71.633 4.429 -10.803 1.00 0.00 C ATOM 180 OH TYR A 39 70.431 4.098 -11.397 1.00 0.00 O ATOM 0 H TYR A 39 77.375 6.232 -7.632 1.00 0.00 H new ATOM 0 HA TYR A 39 74.999 7.616 -8.765 1.00 0.00 H new ATOM 0 HB2 TYR A 39 76.200 5.550 -9.682 1.00 0.00 H new ATOM 0 HB3 TYR A 39 75.722 4.685 -8.235 1.00 0.00 H new ATOM 0 HD1 TYR A 39 74.554 6.157 -11.434 1.00 0.00 H new ATOM 0 HD2 TYR A 39 73.378 3.996 -7.853 1.00 0.00 H new ATOM 0 HE1 TYR A 39 72.373 5.553 -12.518 1.00 0.00 H new ATOM 0 HE2 TYR A 39 71.193 3.390 -8.936 1.00 0.00 H new ATOM 0 HH TYR A 39 69.898 3.558 -10.777 1.00 0.00 H new ATOM 190 N CYS A 40 73.215 7.137 -7.074 1.00 0.00 N ATOM 191 CA CYS A 40 72.249 7.102 -5.927 1.00 0.00 C ATOM 192 C CYS A 40 71.077 6.158 -6.236 1.00 0.00 C ATOM 193 O CYS A 40 70.547 6.162 -7.334 1.00 0.00 O ATOM 194 CB CYS A 40 71.770 8.556 -5.726 1.00 0.00 C ATOM 195 SG CYS A 40 70.933 9.208 -7.203 1.00 0.00 S ATOM 0 H CYS A 40 72.840 7.530 -7.937 1.00 0.00 H new ATOM 0 HA CYS A 40 72.715 6.721 -5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 40 71.090 8.599 -4.875 1.00 0.00 H new ATOM 0 HB3 CYS A 40 72.624 9.189 -5.484 1.00 0.00 H new ATOM 200 N SER A 41 70.681 5.360 -5.270 1.00 0.00 N ATOM 201 CA SER A 41 69.500 4.459 -5.450 1.00 0.00 C ATOM 202 C SER A 41 68.458 4.741 -4.364 1.00 0.00 C ATOM 203 O SER A 41 68.804 5.035 -3.233 1.00 0.00 O ATOM 204 CB SER A 41 70.056 3.044 -5.305 1.00 0.00 C ATOM 205 OG SER A 41 70.547 2.865 -3.984 1.00 0.00 O ATOM 0 H SER A 41 71.131 5.296 -4.357 1.00 0.00 H new ATOM 0 HA SER A 41 69.008 4.605 -6.412 1.00 0.00 H new ATOM 0 HB2 SER A 41 69.277 2.312 -5.518 1.00 0.00 H new ATOM 0 HB3 SER A 41 70.855 2.879 -6.028 1.00 0.00 H new ATOM 0 HG SER A 41 71.400 3.338 -3.885 1.00 0.00 H new ATOM 211 N GLY A 42 67.192 4.652 -4.707 1.00 0.00 N ATOM 212 CA GLY A 42 66.107 4.915 -3.713 1.00 0.00 C ATOM 213 C GLY A 42 66.019 6.416 -3.433 1.00 0.00 C ATOM 214 O GLY A 42 65.052 7.062 -3.796 1.00 0.00 O ATOM 0 H GLY A 42 66.865 4.406 -5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 42 65.154 4.550 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 42 66.308 4.374 -2.789 1.00 0.00 H new ATOM 218 N HIS A 43 67.025 6.970 -2.791 1.00 0.00 N ATOM 219 CA HIS A 43 66.998 8.418 -2.415 1.00 0.00 C ATOM 220 C HIS A 43 68.122 9.179 -3.127 1.00 0.00 C ATOM 221 O HIS A 43 69.271 8.773 -3.093 1.00 0.00 O ATOM 222 CB HIS A 43 67.217 8.436 -0.902 1.00 0.00 C ATOM 223 CG HIS A 43 66.119 7.758 -0.128 1.00 0.00 C ATOM 224 ND1 HIS A 43 64.849 8.299 -0.019 1.00 0.00 N ATOM 225 CD2 HIS A 43 66.087 6.581 0.579 1.00 0.00 C ATOM 226 CE1 HIS A 43 64.112 7.458 0.729 1.00 0.00 C ATOM 227 NE2 HIS A 43 64.818 6.394 1.120 1.00 0.00 N ATOM 0 H HIS A 43 67.870 6.473 -2.510 1.00 0.00 H new ATOM 0 HA HIS A 43 66.062 8.899 -2.701 1.00 0.00 H new ATOM 0 HB2 HIS A 43 68.165 7.949 -0.674 1.00 0.00 H new ATOM 0 HB3 HIS A 43 67.301 9.470 -0.567 1.00 0.00 H new ATOM 0 HD2 HIS A 43 66.920 5.904 0.697 1.00 0.00 H new ATOM 0 HE1 HIS A 43 63.075 7.623 0.982 1.00 0.00 H new ATOM 0 HE2 HIS A 43 64.497 5.613 1.692 1.00 0.00 H new ATOM 235 N CYS A 44 67.786 10.278 -3.767 1.00 0.00 N ATOM 236 CA CYS A 44 68.822 11.156 -4.394 1.00 0.00 C ATOM 237 C CYS A 44 68.472 12.632 -4.121 1.00 0.00 C ATOM 238 O CYS A 44 67.316 12.994 -4.236 1.00 0.00 O ATOM 239 CB CYS A 44 68.740 10.845 -5.896 1.00 0.00 C ATOM 240 SG CYS A 44 70.362 11.073 -6.674 1.00 0.00 S ATOM 0 H CYS A 44 66.826 10.604 -3.881 1.00 0.00 H new ATOM 0 HA CYS A 44 69.824 10.983 -4.001 1.00 0.00 H new ATOM 0 HB2 CYS A 44 68.399 9.821 -6.044 1.00 0.00 H new ATOM 0 HB3 CYS A 44 68.007 11.497 -6.370 1.00 0.00 H new ATOM 245 N PRO A 45 69.459 13.453 -3.766 1.00 0.00 N ATOM 246 CA PRO A 45 69.162 14.849 -3.320 1.00 0.00 C ATOM 247 C PRO A 45 68.449 15.647 -4.425 1.00 0.00 C ATOM 248 O PRO A 45 68.634 15.387 -5.601 1.00 0.00 O ATOM 249 CB PRO A 45 70.540 15.448 -3.009 1.00 0.00 C ATOM 250 CG PRO A 45 71.528 14.552 -3.681 1.00 0.00 C ATOM 251 CD PRO A 45 70.910 13.186 -3.744 1.00 0.00 C ATOM 0 HA PRO A 45 68.493 14.875 -2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 45 70.618 16.468 -3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 45 70.716 15.489 -1.934 1.00 0.00 H new ATOM 0 HG2 PRO A 45 71.761 14.916 -4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 45 72.465 14.526 -3.125 1.00 0.00 H new ATOM 0 HD2 PRO A 45 71.230 12.644 -4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 45 71.192 12.580 -2.883 1.00 0.00 H new ATOM 259 N ASP A 46 67.643 16.613 -4.044 1.00 0.00 N ATOM 260 CA ASP A 46 66.775 17.341 -5.038 1.00 0.00 C ATOM 261 C ASP A 46 67.618 18.036 -6.118 1.00 0.00 C ATOM 262 O ASP A 46 67.164 18.221 -7.233 1.00 0.00 O ATOM 263 CB ASP A 46 65.994 18.385 -4.230 1.00 0.00 C ATOM 264 CG ASP A 46 65.038 17.678 -3.266 1.00 0.00 C ATOM 265 OD1 ASP A 46 64.381 16.742 -3.692 1.00 0.00 O ATOM 266 OD2 ASP A 46 64.979 18.086 -2.118 1.00 0.00 O ATOM 0 H ASP A 46 67.546 16.933 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 46 66.116 16.645 -5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 46 66.684 19.020 -3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 46 65.434 19.035 -4.902 1.00 0.00 H new ATOM 271 N ASP A 47 68.835 18.415 -5.789 1.00 0.00 N ATOM 272 CA ASP A 47 69.704 19.141 -6.773 1.00 0.00 C ATOM 273 C ASP A 47 70.590 18.170 -7.580 1.00 0.00 C ATOM 274 O ASP A 47 71.529 18.596 -8.229 1.00 0.00 O ATOM 275 CB ASP A 47 70.558 20.111 -5.935 1.00 0.00 C ATOM 276 CG ASP A 47 71.444 19.353 -4.933 1.00 0.00 C ATOM 277 OD1 ASP A 47 72.529 18.948 -5.318 1.00 0.00 O ATOM 278 OD2 ASP A 47 71.019 19.190 -3.801 1.00 0.00 O ATOM 0 H ASP A 47 69.263 18.251 -4.878 1.00 0.00 H new ATOM 0 HA ASP A 47 69.103 19.670 -7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 47 71.184 20.711 -6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 47 69.907 20.801 -5.398 1.00 0.00 H new ATOM 283 N ALA A 48 70.299 16.884 -7.545 1.00 0.00 N ATOM 284 CA ALA A 48 71.210 15.878 -8.181 1.00 0.00 C ATOM 285 C ALA A 48 70.997 15.853 -9.697 1.00 0.00 C ATOM 286 O ALA A 48 69.984 16.314 -10.191 1.00 0.00 O ATOM 287 CB ALA A 48 70.835 14.526 -7.565 1.00 0.00 C ATOM 0 H ALA A 48 69.468 16.492 -7.102 1.00 0.00 H new ATOM 0 HA ALA A 48 72.259 16.119 -8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 48 71.466 13.745 -7.989 1.00 0.00 H new ATOM 0 HB2 ALA A 48 70.982 14.565 -6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 48 69.790 14.305 -7.782 1.00 0.00 H new ATOM 293 N ILE A 49 71.950 15.315 -10.427 1.00 0.00 N ATOM 294 CA ILE A 49 71.852 15.285 -11.922 1.00 0.00 C ATOM 295 C ILE A 49 72.032 13.840 -12.404 1.00 0.00 C ATOM 296 O ILE A 49 72.835 13.110 -11.861 1.00 0.00 O ATOM 297 CB ILE A 49 72.988 16.195 -12.438 1.00 0.00 C ATOM 298 CG1 ILE A 49 72.813 17.621 -11.896 1.00 0.00 C ATOM 299 CG2 ILE A 49 72.960 16.253 -13.971 1.00 0.00 C ATOM 300 CD1 ILE A 49 74.100 18.417 -12.122 1.00 0.00 C ATOM 0 H ILE A 49 72.797 14.893 -10.046 1.00 0.00 H new ATOM 0 HA ILE A 49 70.887 15.635 -12.289 1.00 0.00 H new ATOM 0 HB ILE A 49 73.937 15.782 -12.097 1.00 0.00 H new ATOM 0 HG12 ILE A 49 71.978 18.111 -12.396 1.00 0.00 H new ATOM 0 HG13 ILE A 49 72.574 17.590 -10.833 1.00 0.00 H new ATOM 0 HG21 ILE A 49 73.765 16.897 -14.325 1.00 0.00 H new ATOM 0 HG22 ILE A 49 73.093 15.250 -14.376 1.00 0.00 H new ATOM 0 HG23 ILE A 49 72.002 16.654 -14.303 1.00 0.00 H new ATOM 0 HD11 ILE A 49 73.974 19.429 -11.737 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.925 17.930 -11.601 1.00 0.00 H new ATOM 0 HD13 ILE A 49 74.319 18.459 -13.189 1.00 0.00 H new ATOM 312 N ASN A 50 71.276 13.436 -13.410 1.00 0.00 N ATOM 313 CA ASN A 50 71.299 12.024 -13.951 1.00 0.00 C ATOM 314 C ASN A 50 71.434 10.951 -12.847 1.00 0.00 C ATOM 315 O ASN A 50 72.167 9.989 -12.991 1.00 0.00 O ATOM 316 CB ASN A 50 72.467 11.972 -14.957 1.00 0.00 C ATOM 317 CG ASN A 50 73.825 12.146 -14.267 1.00 0.00 C ATOM 318 OD1 ASN A 50 74.257 13.253 -14.015 1.00 0.00 O ATOM 319 ND2 ASN A 50 74.521 11.089 -13.952 1.00 0.00 N ATOM 0 H ASN A 50 70.621 14.049 -13.895 1.00 0.00 H new ATOM 0 HA ASN A 50 70.349 11.789 -14.432 1.00 0.00 H new ATOM 0 HB2 ASN A 50 72.448 11.019 -15.486 1.00 0.00 H new ATOM 0 HB3 ASN A 50 72.337 12.754 -15.705 1.00 0.00 H new ATOM 0 HD21 ASN A 50 75.427 11.192 -13.495 1.00 0.00 H new ATOM 0 HD22 ASN A 50 74.159 10.159 -14.163 1.00 0.00 H new ATOM 326 N ASN A 51 70.723 11.127 -11.748 1.00 0.00 N ATOM 327 CA ASN A 51 70.782 10.166 -10.587 1.00 0.00 C ATOM 328 C ASN A 51 72.227 9.965 -10.095 1.00 0.00 C ATOM 329 O ASN A 51 72.638 8.858 -9.785 1.00 0.00 O ATOM 330 CB ASN A 51 70.182 8.843 -11.097 1.00 0.00 C ATOM 331 CG ASN A 51 68.704 9.048 -11.437 1.00 0.00 C ATOM 332 OD1 ASN A 51 68.269 8.728 -12.525 1.00 0.00 O ATOM 333 ND2 ASN A 51 67.908 9.570 -10.545 1.00 0.00 N ATOM 0 H ASN A 51 70.091 11.914 -11.605 1.00 0.00 H new ATOM 0 HA ASN A 51 70.225 10.551 -9.733 1.00 0.00 H new ATOM 0 HB2 ASN A 51 70.725 8.502 -11.979 1.00 0.00 H new ATOM 0 HB3 ASN A 51 70.287 8.068 -10.338 1.00 0.00 H new ATOM 0 HD21 ASN A 51 66.921 9.709 -10.761 1.00 0.00 H new ATOM 0 HD22 ASN A 51 68.273 9.839 -9.631 1.00 0.00 H new ATOM 340 N THR A 52 72.991 11.034 -10.023 1.00 0.00 N ATOM 341 CA THR A 52 74.368 10.955 -9.437 1.00 0.00 C ATOM 342 C THR A 52 74.670 12.211 -8.613 1.00 0.00 C ATOM 343 O THR A 52 74.005 13.224 -8.753 1.00 0.00 O ATOM 344 CB THR A 52 75.318 10.866 -10.635 1.00 0.00 C ATOM 345 OG1 THR A 52 75.081 11.960 -11.508 1.00 0.00 O ATOM 346 CG2 THR A 52 75.087 9.551 -11.384 1.00 0.00 C ATOM 0 H THR A 52 72.716 11.961 -10.347 1.00 0.00 H new ATOM 0 HA THR A 52 74.475 10.100 -8.770 1.00 0.00 H new ATOM 0 HB THR A 52 76.348 10.899 -10.281 1.00 0.00 H new ATOM 0 HG1 THR A 52 74.117 12.064 -11.648 1.00 0.00 H new ATOM 0 HG21 THR A 52 75.765 9.493 -12.235 1.00 0.00 H new ATOM 0 HG22 THR A 52 75.274 8.712 -10.713 1.00 0.00 H new ATOM 0 HG23 THR A 52 74.057 9.510 -11.738 1.00 0.00 H new ATOM 354 N CYS A 53 75.672 12.141 -7.763 1.00 0.00 N ATOM 355 CA CYS A 53 76.037 13.312 -6.902 1.00 0.00 C ATOM 356 C CYS A 53 77.561 13.460 -6.812 1.00 0.00 C ATOM 357 O CYS A 53 78.298 12.545 -7.125 1.00 0.00 O ATOM 358 CB CYS A 53 75.412 13.041 -5.516 1.00 0.00 C ATOM 359 SG CYS A 53 76.018 11.484 -4.794 1.00 0.00 S ATOM 0 H CYS A 53 76.256 11.315 -7.630 1.00 0.00 H new ATOM 0 HA CYS A 53 75.662 14.247 -7.317 1.00 0.00 H new ATOM 0 HB2 CYS A 53 75.644 13.868 -4.845 1.00 0.00 H new ATOM 0 HB3 CYS A 53 74.327 13.001 -5.608 1.00 0.00 H new ATOM 364 N ILE A 54 78.021 14.613 -6.380 1.00 0.00 N ATOM 365 CA ILE A 54 79.493 14.895 -6.333 1.00 0.00 C ATOM 366 C ILE A 54 79.952 14.931 -4.869 1.00 0.00 C ATOM 367 O ILE A 54 79.333 15.577 -4.040 1.00 0.00 O ATOM 368 CB ILE A 54 79.661 16.275 -7.009 1.00 0.00 C ATOM 369 CG1 ILE A 54 79.166 16.217 -8.462 1.00 0.00 C ATOM 370 CG2 ILE A 54 81.138 16.694 -7.018 1.00 0.00 C ATOM 371 CD1 ILE A 54 78.998 17.640 -9.003 1.00 0.00 C ATOM 0 H ILE A 54 77.431 15.379 -6.054 1.00 0.00 H new ATOM 0 HA ILE A 54 80.091 14.137 -6.838 1.00 0.00 H new ATOM 0 HB ILE A 54 79.076 16.999 -6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 54 79.876 15.664 -9.077 1.00 0.00 H new ATOM 0 HG13 ILE A 54 78.217 15.683 -8.513 1.00 0.00 H new ATOM 0 HG21 ILE A 54 81.237 17.668 -7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 54 81.505 16.755 -5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 54 81.722 15.957 -7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 54 78.647 17.598 -10.034 1.00 0.00 H new ATOM 0 HD12 ILE A 54 78.271 18.177 -8.394 1.00 0.00 H new ATOM 0 HD13 ILE A 54 79.956 18.158 -8.967 1.00 0.00 H new ATOM 383 N THR A 55 81.028 14.242 -4.553 1.00 0.00 N ATOM 384 CA THR A 55 81.545 14.228 -3.146 1.00 0.00 C ATOM 385 C THR A 55 83.076 14.315 -3.125 1.00 0.00 C ATOM 386 O THR A 55 83.741 13.904 -4.060 1.00 0.00 O ATOM 387 CB THR A 55 81.053 12.903 -2.535 1.00 0.00 C ATOM 388 OG1 THR A 55 81.507 12.816 -1.192 1.00 0.00 O ATOM 389 CG2 THR A 55 81.573 11.692 -3.325 1.00 0.00 C ATOM 0 H THR A 55 81.571 13.687 -5.214 1.00 0.00 H new ATOM 0 HA THR A 55 81.185 15.085 -2.576 1.00 0.00 H new ATOM 0 HB THR A 55 79.964 12.891 -2.574 1.00 0.00 H new ATOM 0 HG1 THR A 55 80.856 12.313 -0.659 1.00 0.00 H new ATOM 0 HG21 THR A 55 81.207 10.774 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 55 81.219 11.750 -4.354 1.00 0.00 H new ATOM 0 HG23 THR A 55 82.663 11.692 -3.316 1.00 0.00 H new ATOM 397 N ASN A 56 83.627 14.849 -2.060 1.00 0.00 N ATOM 398 CA ASN A 56 85.100 14.721 -1.806 1.00 0.00 C ATOM 399 C ASN A 56 85.363 13.791 -0.613 1.00 0.00 C ATOM 400 O ASN A 56 86.325 13.968 0.113 1.00 0.00 O ATOM 401 CB ASN A 56 85.609 16.148 -1.527 1.00 0.00 C ATOM 402 CG ASN A 56 84.872 16.785 -0.337 1.00 0.00 C ATOM 403 OD1 ASN A 56 84.760 16.189 0.714 1.00 0.00 O ATOM 404 ND2 ASN A 56 84.362 17.980 -0.466 1.00 0.00 N ATOM 0 H ASN A 56 83.115 15.373 -1.350 1.00 0.00 H new ATOM 0 HA ASN A 56 85.619 14.282 -2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 56 86.679 16.120 -1.321 1.00 0.00 H new ATOM 0 HB3 ASN A 56 85.471 16.765 -2.415 1.00 0.00 H new ATOM 0 HD21 ASN A 56 83.870 18.412 0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 56 84.456 18.482 -1.349 1.00 0.00 H new ATOM 411 N GLY A 57 84.508 12.809 -0.413 1.00 0.00 N ATOM 412 CA GLY A 57 84.732 11.794 0.664 1.00 0.00 C ATOM 413 C GLY A 57 84.746 10.394 0.043 1.00 0.00 C ATOM 414 O GLY A 57 85.771 9.933 -0.431 1.00 0.00 O ATOM 0 H GLY A 57 83.657 12.670 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.676 11.989 1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 57 83.945 11.864 1.415 1.00 0.00 H new ATOM 418 N HIS A 58 83.616 9.723 0.047 1.00 0.00 N ATOM 419 CA HIS A 58 83.513 8.377 -0.603 1.00 0.00 C ATOM 420 C HIS A 58 82.114 8.201 -1.194 1.00 0.00 C ATOM 421 O HIS A 58 81.238 9.023 -0.977 1.00 0.00 O ATOM 422 CB HIS A 58 83.736 7.336 0.505 1.00 0.00 C ATOM 423 CG HIS A 58 84.991 7.529 1.316 1.00 0.00 C ATOM 424 ND1 HIS A 58 86.108 6.728 1.149 1.00 0.00 N ATOM 425 CD2 HIS A 58 85.313 8.416 2.314 1.00 0.00 C ATOM 426 CE1 HIS A 58 87.041 7.144 2.024 1.00 0.00 C ATOM 427 NE2 HIS A 58 86.609 8.170 2.759 1.00 0.00 N ATOM 0 H HIS A 58 82.753 10.055 0.478 1.00 0.00 H new ATOM 0 HA HIS A 58 84.244 8.267 -1.404 1.00 0.00 H new ATOM 0 HB2 HIS A 58 82.879 7.355 1.179 1.00 0.00 H new ATOM 0 HB3 HIS A 58 83.763 6.345 0.052 1.00 0.00 H new ATOM 0 HD2 HIS A 58 84.660 9.187 2.696 1.00 0.00 H new ATOM 0 HE1 HIS A 58 88.021 6.701 2.120 1.00 0.00 H new ATOM 0 HE2 HIS A 58 87.118 8.667 3.490 1.00 0.00 H new ATOM 435 N CYS A 59 81.908 7.143 -1.937 1.00 0.00 N ATOM 436 CA CYS A 59 80.515 6.713 -2.280 1.00 0.00 C ATOM 437 C CYS A 59 80.075 5.665 -1.260 1.00 0.00 C ATOM 438 O CYS A 59 80.859 4.808 -0.886 1.00 0.00 O ATOM 439 CB CYS A 59 80.579 6.081 -3.679 1.00 0.00 C ATOM 440 SG CYS A 59 81.205 7.254 -4.916 1.00 0.00 S ATOM 0 H CYS A 59 82.647 6.555 -2.323 1.00 0.00 H new ATOM 0 HA CYS A 59 79.812 7.546 -2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 59 81.223 5.202 -3.652 1.00 0.00 H new ATOM 0 HB3 CYS A 59 79.586 5.740 -3.970 1.00 0.00 H new ATOM 445 N PHE A 60 78.841 5.725 -0.811 1.00 0.00 N ATOM 446 CA PHE A 60 78.356 4.736 0.204 1.00 0.00 C ATOM 447 C PHE A 60 77.052 4.080 -0.268 1.00 0.00 C ATOM 448 O PHE A 60 76.240 4.707 -0.930 1.00 0.00 O ATOM 449 CB PHE A 60 78.176 5.530 1.516 1.00 0.00 C ATOM 450 CG PHE A 60 76.929 6.396 1.603 1.00 0.00 C ATOM 451 CD1 PHE A 60 75.722 5.843 2.130 1.00 0.00 C ATOM 452 CD2 PHE A 60 76.959 7.755 1.159 1.00 0.00 C ATOM 453 CE1 PHE A 60 74.544 6.649 2.216 1.00 0.00 C ATOM 454 CE2 PHE A 60 75.781 8.560 1.246 1.00 0.00 C ATOM 455 CZ PHE A 60 74.573 8.006 1.775 1.00 0.00 C ATOM 0 H PHE A 60 78.151 6.416 -1.104 1.00 0.00 H new ATOM 0 HA PHE A 60 79.060 3.918 0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 60 78.163 4.824 2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.049 6.169 1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 60 75.699 4.816 2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.871 8.173 0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 60 73.632 6.231 2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.803 9.587 0.912 1.00 0.00 H new ATOM 0 HZ PHE A 60 73.683 8.614 1.841 1.00 0.00 H new ATOM 465 N ALA A 61 76.860 2.827 0.075 1.00 0.00 N ATOM 466 CA ALA A 61 75.574 2.133 -0.226 1.00 0.00 C ATOM 467 C ALA A 61 75.279 1.111 0.873 1.00 0.00 C ATOM 468 O ALA A 61 76.174 0.436 1.349 1.00 0.00 O ATOM 469 CB ALA A 61 75.796 1.436 -1.570 1.00 0.00 C ATOM 0 H ALA A 61 77.551 2.252 0.557 1.00 0.00 H new ATOM 0 HA ALA A 61 74.727 2.818 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 61 74.890 0.903 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 61 76.036 2.179 -2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 61 76.620 0.729 -1.481 1.00 0.00 H new ATOM 475 N ILE A 62 74.033 1.001 1.270 1.00 0.00 N ATOM 476 CA ILE A 62 73.681 0.168 2.460 1.00 0.00 C ATOM 477 C ILE A 62 72.338 -0.551 2.231 1.00 0.00 C ATOM 478 O ILE A 62 71.470 -0.046 1.540 1.00 0.00 O ATOM 479 CB ILE A 62 73.620 1.159 3.642 1.00 0.00 C ATOM 480 CG1 ILE A 62 73.341 0.400 4.944 1.00 0.00 C ATOM 481 CG2 ILE A 62 72.524 2.214 3.425 1.00 0.00 C ATOM 482 CD1 ILE A 62 73.636 1.308 6.140 1.00 0.00 C ATOM 0 H ILE A 62 73.241 1.456 0.816 1.00 0.00 H new ATOM 0 HA ILE A 62 74.408 -0.621 2.653 1.00 0.00 H new ATOM 0 HB ILE A 62 74.583 1.666 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 62 72.302 0.073 4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 62 73.959 -0.497 4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 62 72.504 2.898 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 62 72.733 2.773 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 62 71.556 1.720 3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 62 73.437 0.767 7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 62 74.682 1.613 6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 62 72.999 2.191 6.092 1.00 0.00 H new ATOM 494 N ILE A 63 72.181 -1.717 2.812 1.00 0.00 N ATOM 495 CA ILE A 63 70.900 -2.484 2.692 1.00 0.00 C ATOM 496 C ILE A 63 70.536 -3.088 4.057 1.00 0.00 C ATOM 497 O ILE A 63 71.407 -3.486 4.808 1.00 0.00 O ATOM 498 CB ILE A 63 71.169 -3.567 1.624 1.00 0.00 C ATOM 499 CG1 ILE A 63 69.905 -4.402 1.397 1.00 0.00 C ATOM 500 CG2 ILE A 63 72.312 -4.497 2.055 1.00 0.00 C ATOM 501 CD1 ILE A 63 70.032 -5.178 0.086 1.00 0.00 C ATOM 0 H ILE A 63 72.898 -2.177 3.373 1.00 0.00 H new ATOM 0 HA ILE A 63 70.055 -1.863 2.396 1.00 0.00 H new ATOM 0 HB ILE A 63 71.455 -3.063 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 63 69.759 -5.093 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 63 69.030 -3.754 1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 63 72.479 -5.249 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 63 73.222 -3.914 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 63 72.047 -4.989 2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 63 69.132 -5.772 -0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 63 70.157 -4.478 -0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 63 70.898 -5.838 0.136 1.00 0.00 H new ATOM 513 N GLU A 64 69.262 -3.165 4.365 1.00 0.00 N ATOM 514 CA GLU A 64 68.825 -3.487 5.762 1.00 0.00 C ATOM 515 C GLU A 64 67.482 -4.221 5.735 1.00 0.00 C ATOM 516 O GLU A 64 66.653 -3.966 4.878 1.00 0.00 O ATOM 517 CB GLU A 64 68.680 -2.133 6.461 1.00 0.00 C ATOM 518 CG GLU A 64 70.042 -1.672 6.988 1.00 0.00 C ATOM 519 CD GLU A 64 69.929 -0.240 7.517 1.00 0.00 C ATOM 520 OE1 GLU A 64 69.322 0.575 6.840 1.00 0.00 O ATOM 521 OE2 GLU A 64 70.448 0.016 8.589 1.00 0.00 O ATOM 0 H GLU A 64 68.500 -3.017 3.703 1.00 0.00 H new ATOM 0 HA GLU A 64 69.535 -4.134 6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 64 68.281 -1.395 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 64 67.970 -2.213 7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.381 -2.338 7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.786 -1.719 6.193 1.00 0.00 H new ATOM 528 N GLU A 65 67.268 -5.122 6.669 1.00 0.00 N ATOM 529 CA GLU A 65 66.013 -5.934 6.683 1.00 0.00 C ATOM 530 C GLU A 65 65.038 -5.380 7.729 1.00 0.00 C ATOM 531 O GLU A 65 65.327 -5.379 8.913 1.00 0.00 O ATOM 532 CB GLU A 65 66.480 -7.346 7.061 1.00 0.00 C ATOM 533 CG GLU A 65 65.309 -8.339 6.996 1.00 0.00 C ATOM 534 CD GLU A 65 64.596 -8.420 8.353 1.00 0.00 C ATOM 535 OE1 GLU A 65 65.261 -8.295 9.370 1.00 0.00 O ATOM 536 OE2 GLU A 65 63.393 -8.620 8.353 1.00 0.00 O ATOM 0 H GLU A 65 67.918 -5.328 7.428 1.00 0.00 H new ATOM 0 HA GLU A 65 65.486 -5.918 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 65 67.273 -7.666 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 65 66.902 -7.338 8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 65 64.603 -8.028 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 65 65.676 -9.325 6.712 1.00 0.00 H new ATOM 543 N ASP A 66 63.891 -4.911 7.287 1.00 0.00 N ATOM 544 CA ASP A 66 62.912 -4.259 8.221 1.00 0.00 C ATOM 545 C ASP A 66 61.990 -5.310 8.854 1.00 0.00 C ATOM 546 O ASP A 66 62.044 -6.474 8.511 1.00 0.00 O ATOM 547 CB ASP A 66 62.116 -3.252 7.369 1.00 0.00 C ATOM 548 CG ASP A 66 61.369 -3.952 6.223 1.00 0.00 C ATOM 549 OD1 ASP A 66 60.525 -4.784 6.512 1.00 0.00 O ATOM 550 OD2 ASP A 66 61.657 -3.641 5.079 1.00 0.00 O ATOM 0 H ASP A 66 63.590 -4.952 6.313 1.00 0.00 H new ATOM 0 HA ASP A 66 63.416 -3.755 9.046 1.00 0.00 H new ATOM 0 HB2 ASP A 66 61.402 -2.723 8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 66 62.795 -2.504 6.959 1.00 0.00 H new ATOM 555 N ASP A 67 61.141 -4.893 9.769 1.00 0.00 N ATOM 556 CA ASP A 67 60.313 -5.870 10.562 1.00 0.00 C ATOM 557 C ASP A 67 59.394 -6.718 9.662 1.00 0.00 C ATOM 558 O ASP A 67 58.904 -7.749 10.089 1.00 0.00 O ATOM 559 CB ASP A 67 59.483 -5.030 11.555 1.00 0.00 C ATOM 560 CG ASP A 67 58.597 -4.022 10.811 1.00 0.00 C ATOM 561 OD1 ASP A 67 59.142 -3.173 10.124 1.00 0.00 O ATOM 562 OD2 ASP A 67 57.387 -4.117 10.943 1.00 0.00 O ATOM 0 H ASP A 67 60.984 -3.913 10.003 1.00 0.00 H new ATOM 0 HA ASP A 67 60.959 -6.580 11.078 1.00 0.00 H new ATOM 0 HB2 ASP A 67 58.862 -5.687 12.163 1.00 0.00 H new ATOM 0 HB3 ASP A 67 60.150 -4.501 12.236 1.00 0.00 H new ATOM 567 N GLN A 68 59.160 -6.298 8.437 1.00 0.00 N ATOM 568 CA GLN A 68 58.306 -7.102 7.500 1.00 0.00 C ATOM 569 C GLN A 68 59.149 -8.056 6.634 1.00 0.00 C ATOM 570 O GLN A 68 58.603 -8.924 5.975 1.00 0.00 O ATOM 571 CB GLN A 68 57.595 -6.072 6.619 1.00 0.00 C ATOM 572 CG GLN A 68 56.558 -5.317 7.452 1.00 0.00 C ATOM 573 CD GLN A 68 55.839 -4.296 6.567 1.00 0.00 C ATOM 574 OE1 GLN A 68 56.322 -3.200 6.368 1.00 0.00 O ATOM 575 NE2 GLN A 68 54.695 -4.612 6.025 1.00 0.00 N ATOM 0 H GLN A 68 59.525 -5.430 8.046 1.00 0.00 H new ATOM 0 HA GLN A 68 57.608 -7.733 8.050 1.00 0.00 H new ATOM 0 HB2 GLN A 68 58.320 -5.373 6.201 1.00 0.00 H new ATOM 0 HB3 GLN A 68 57.110 -6.569 5.779 1.00 0.00 H new ATOM 0 HG2 GLN A 68 55.838 -6.016 7.877 1.00 0.00 H new ATOM 0 HG3 GLN A 68 57.044 -4.812 8.287 1.00 0.00 H new ATOM 0 HE21 GLN A 68 54.289 -5.533 6.192 1.00 0.00 H new ATOM 0 HE22 GLN A 68 54.207 -3.938 5.435 1.00 0.00 H new ATOM 584 N GLY A 69 60.459 -7.906 6.626 1.00 0.00 N ATOM 585 CA GLY A 69 61.339 -8.843 5.855 1.00 0.00 C ATOM 586 C GLY A 69 61.579 -8.330 4.426 1.00 0.00 C ATOM 587 O GLY A 69 61.942 -9.099 3.556 1.00 0.00 O ATOM 0 H GLY A 69 60.956 -7.168 7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.294 -8.956 6.369 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.879 -9.830 5.817 1.00 0.00 H new ATOM 591 N GLU A 70 61.379 -7.050 4.177 1.00 0.00 N ATOM 592 CA GLU A 70 61.808 -6.448 2.877 1.00 0.00 C ATOM 593 C GLU A 70 63.168 -5.766 3.045 1.00 0.00 C ATOM 594 O GLU A 70 63.449 -5.192 4.083 1.00 0.00 O ATOM 595 CB GLU A 70 60.731 -5.417 2.535 1.00 0.00 C ATOM 596 CG GLU A 70 59.417 -6.133 2.221 1.00 0.00 C ATOM 597 CD GLU A 70 58.363 -5.109 1.799 1.00 0.00 C ATOM 598 OE1 GLU A 70 57.854 -4.419 2.668 1.00 0.00 O ATOM 599 OE2 GLU A 70 58.081 -5.031 0.615 1.00 0.00 O ATOM 0 H GLU A 70 60.935 -6.399 4.825 1.00 0.00 H new ATOM 0 HA GLU A 70 61.915 -7.195 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 70 60.592 -4.730 3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 70 61.044 -4.819 1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 70 59.570 -6.862 1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 70 59.073 -6.684 3.096 1.00 0.00 H new ATOM 606 N THR A 71 64.006 -5.833 2.034 1.00 0.00 N ATOM 607 CA THR A 71 65.339 -5.156 2.098 1.00 0.00 C ATOM 608 C THR A 71 65.261 -3.769 1.452 1.00 0.00 C ATOM 609 O THR A 71 64.856 -3.636 0.311 1.00 0.00 O ATOM 610 CB THR A 71 66.295 -6.056 1.308 1.00 0.00 C ATOM 611 OG1 THR A 71 65.680 -6.461 0.092 1.00 0.00 O ATOM 612 CG2 THR A 71 66.641 -7.288 2.144 1.00 0.00 C ATOM 0 H THR A 71 63.820 -6.331 1.164 1.00 0.00 H new ATOM 0 HA THR A 71 65.672 -5.015 3.126 1.00 0.00 H new ATOM 0 HB THR A 71 67.206 -5.503 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 71 65.198 -5.703 -0.299 1.00 0.00 H new ATOM 0 HG21 THR A 71 67.321 -7.929 1.583 1.00 0.00 H new ATOM 0 HG22 THR A 71 67.120 -6.975 3.072 1.00 0.00 H new ATOM 0 HG23 THR A 71 65.729 -7.839 2.374 1.00 0.00 H new ATOM 620 N THR A 72 65.646 -2.746 2.183 1.00 0.00 N ATOM 621 CA THR A 72 65.643 -1.358 1.625 1.00 0.00 C ATOM 622 C THR A 72 67.046 -0.975 1.147 1.00 0.00 C ATOM 623 O THR A 72 67.958 -0.832 1.943 1.00 0.00 O ATOM 624 CB THR A 72 65.207 -0.458 2.783 1.00 0.00 C ATOM 625 OG1 THR A 72 65.944 -0.795 3.951 1.00 0.00 O ATOM 626 CG2 THR A 72 63.714 -0.657 3.043 1.00 0.00 C ATOM 0 H THR A 72 65.964 -2.817 3.150 1.00 0.00 H new ATOM 0 HA THR A 72 64.978 -1.264 0.767 1.00 0.00 H new ATOM 0 HB THR A 72 65.396 0.584 2.527 1.00 0.00 H new ATOM 0 HG1 THR A 72 66.875 -0.980 3.708 1.00 0.00 H new ATOM 0 HG21 THR A 72 63.400 -0.017 3.868 1.00 0.00 H new ATOM 0 HG22 THR A 72 63.151 -0.397 2.147 1.00 0.00 H new ATOM 0 HG23 THR A 72 63.525 -1.699 3.300 1.00 0.00 H new ATOM 634 N LEU A 73 67.214 -0.809 -0.147 1.00 0.00 N ATOM 635 CA LEU A 73 68.550 -0.436 -0.709 1.00 0.00 C ATOM 636 C LEU A 73 68.616 1.073 -0.964 1.00 0.00 C ATOM 637 O LEU A 73 67.745 1.634 -1.604 1.00 0.00 O ATOM 638 CB LEU A 73 68.654 -1.204 -2.029 1.00 0.00 C ATOM 639 CG LEU A 73 68.907 -2.687 -1.742 1.00 0.00 C ATOM 640 CD1 LEU A 73 67.580 -3.389 -1.456 1.00 0.00 C ATOM 641 CD2 LEU A 73 69.572 -3.335 -2.959 1.00 0.00 C ATOM 0 H LEU A 73 66.474 -0.918 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 73 69.365 -0.680 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 73 67.735 -1.086 -2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 73 69.463 -0.797 -2.635 1.00 0.00 H new ATOM 0 HG LEU A 73 69.560 -2.780 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 73 67.763 -4.444 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 73 67.104 -2.929 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 73 66.925 -3.295 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 73 69.753 -4.391 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 73 68.918 -3.239 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 73 70.520 -2.838 -3.164 1.00 0.00 H new ATOM 653 N ALA A 74 69.645 1.722 -0.463 1.00 0.00 N ATOM 654 CA ALA A 74 69.824 3.187 -0.713 1.00 0.00 C ATOM 655 C ALA A 74 71.312 3.531 -0.819 1.00 0.00 C ATOM 656 O ALA A 74 72.138 2.932 -0.154 1.00 0.00 O ATOM 657 CB ALA A 74 69.202 3.875 0.503 1.00 0.00 C ATOM 0 H ALA A 74 70.371 1.294 0.111 1.00 0.00 H new ATOM 0 HA ALA A 74 69.358 3.505 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 74 69.293 4.956 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 74 68.148 3.605 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 74 69.721 3.555 1.407 1.00 0.00 H new ATOM 663 N SER A 75 71.650 4.489 -1.654 1.00 0.00 N ATOM 664 CA SER A 75 73.070 4.942 -1.779 1.00 0.00 C ATOM 665 C SER A 75 73.115 6.455 -2.013 1.00 0.00 C ATOM 666 O SER A 75 72.107 7.062 -2.327 1.00 0.00 O ATOM 667 CB SER A 75 73.632 4.186 -2.984 1.00 0.00 C ATOM 668 OG SER A 75 72.994 4.649 -4.168 1.00 0.00 O ATOM 0 H SER A 75 70.992 4.980 -2.260 1.00 0.00 H new ATOM 0 HA SER A 75 73.651 4.742 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 75 74.709 4.339 -3.054 1.00 0.00 H new ATOM 0 HB3 SER A 75 73.469 3.115 -2.864 1.00 0.00 H new ATOM 0 HG SER A 75 73.662 5.042 -4.768 1.00 0.00 H new ATOM 674 N GLY A 76 74.277 7.056 -1.861 1.00 0.00 N ATOM 675 CA GLY A 76 74.405 8.532 -2.069 1.00 0.00 C ATOM 676 C GLY A 76 75.842 8.984 -1.793 1.00 0.00 C ATOM 677 O GLY A 76 76.751 8.175 -1.727 1.00 0.00 O ATOM 0 H GLY A 76 75.142 6.582 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 76 74.126 8.788 -3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 76 73.717 9.060 -1.409 1.00 0.00 H new ATOM 681 N CYS A 77 76.039 10.275 -1.628 1.00 0.00 N ATOM 682 CA CYS A 77 77.416 10.834 -1.452 1.00 0.00 C ATOM 683 C CYS A 77 77.725 11.033 0.035 1.00 0.00 C ATOM 684 O CYS A 77 76.921 11.585 0.769 1.00 0.00 O ATOM 685 CB CYS A 77 77.385 12.189 -2.170 1.00 0.00 C ATOM 686 SG CYS A 77 77.782 11.976 -3.925 1.00 0.00 S ATOM 0 H CYS A 77 75.293 10.970 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 77 78.183 10.170 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 77 76.399 12.642 -2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 77 78.100 12.870 -1.708 1.00 0.00 H new ATOM 691 N MET A 78 78.882 10.589 0.477 1.00 0.00 N ATOM 692 CA MET A 78 79.298 10.806 1.896 1.00 0.00 C ATOM 693 C MET A 78 80.260 11.993 1.990 1.00 0.00 C ATOM 694 O MET A 78 81.303 11.997 1.360 1.00 0.00 O ATOM 695 CB MET A 78 80.007 9.512 2.305 1.00 0.00 C ATOM 696 CG MET A 78 80.199 9.490 3.822 1.00 0.00 C ATOM 697 SD MET A 78 80.975 7.930 4.311 1.00 0.00 S ATOM 698 CE MET A 78 79.483 6.907 4.263 1.00 0.00 C ATOM 0 H MET A 78 79.559 10.082 -0.093 1.00 0.00 H new ATOM 0 HA MET A 78 78.450 11.030 2.543 1.00 0.00 H new ATOM 0 HB2 MET A 78 79.421 8.649 1.990 1.00 0.00 H new ATOM 0 HB3 MET A 78 80.973 9.441 1.805 1.00 0.00 H new ATOM 0 HG2 MET A 78 80.820 10.330 4.133 1.00 0.00 H new ATOM 0 HG3 MET A 78 79.237 9.602 4.322 1.00 0.00 H new ATOM 0 HE1 MET A 78 79.723 5.933 3.836 1.00 0.00 H new ATOM 0 HE2 MET A 78 79.100 6.775 5.275 1.00 0.00 H new ATOM 0 HE3 MET A 78 78.726 7.396 3.649 1.00 0.00 H new ATOM 708 N LYS A 79 79.911 12.993 2.769 1.00 0.00 N ATOM 709 CA LYS A 79 80.820 14.177 2.948 1.00 0.00 C ATOM 710 C LYS A 79 82.084 13.764 3.713 1.00 0.00 C ATOM 711 O LYS A 79 82.058 12.829 4.496 1.00 0.00 O ATOM 712 CB LYS A 79 80.027 15.240 3.737 1.00 0.00 C ATOM 713 CG LYS A 79 79.520 14.676 5.076 1.00 0.00 C ATOM 714 CD LYS A 79 79.426 15.798 6.123 1.00 0.00 C ATOM 715 CE LYS A 79 78.340 16.818 5.740 1.00 0.00 C ATOM 716 NZ LYS A 79 77.043 16.073 5.744 1.00 0.00 N ATOM 0 H LYS A 79 79.035 13.041 3.290 1.00 0.00 H new ATOM 0 HA LYS A 79 81.139 14.575 1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 79 80.661 16.107 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 79 79.182 15.584 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 79 78.542 14.215 4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 79 80.194 13.895 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 79 79.201 15.371 7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 79 80.389 16.301 6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 79 78.316 17.645 6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 79 78.539 17.247 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 76.263 16.735 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 76.900 15.621 4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 77.063 15.344 6.486 1.00 0.00 H new ATOM 994 N ARG A 97 72.152 -6.589 8.251 1.00 0.00 N ATOM 995 CA ARG A 97 72.298 -5.615 7.127 1.00 0.00 C ATOM 996 C ARG A 97 73.694 -5.728 6.499 1.00 0.00 C ATOM 997 O ARG A 97 74.591 -6.323 7.072 1.00 0.00 O ATOM 998 CB ARG A 97 72.066 -4.225 7.748 1.00 0.00 C ATOM 999 CG ARG A 97 73.105 -3.922 8.839 1.00 0.00 C ATOM 1000 CD ARG A 97 72.758 -2.596 9.523 1.00 0.00 C ATOM 1001 NE ARG A 97 73.910 -2.298 10.440 1.00 0.00 N ATOM 1002 CZ ARG A 97 74.192 -1.071 10.848 1.00 0.00 C ATOM 1003 NH1 ARG A 97 73.473 -0.026 10.500 1.00 0.00 N ATOM 1004 NH2 ARG A 97 75.218 -0.892 11.632 1.00 0.00 N ATOM 0 HA ARG A 97 71.586 -5.806 6.324 1.00 0.00 H new ATOM 0 HB2 ARG A 97 72.119 -3.463 6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 97 71.064 -4.177 8.174 1.00 0.00 H new ATOM 0 HG2 ARG A 97 73.123 -4.728 9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 97 74.102 -3.867 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 97 72.625 -1.800 8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 97 71.824 -2.675 10.080 1.00 0.00 H new ATOM 0 HE ARG A 97 74.496 -3.069 10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 97 72.662 -0.144 9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 97 73.726 0.903 10.838 1.00 0.00 H new ATOM 0 HH21 ARG A 97 75.786 -1.689 11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 97 75.453 0.045 11.958 1.00 0.00 H new ATOM 1018 N THR A 98 73.871 -5.161 5.329 1.00 0.00 N ATOM 1019 CA THR A 98 75.220 -5.115 4.685 1.00 0.00 C ATOM 1020 C THR A 98 75.518 -3.690 4.214 1.00 0.00 C ATOM 1021 O THR A 98 74.616 -2.954 3.858 1.00 0.00 O ATOM 1022 CB THR A 98 75.127 -6.068 3.491 1.00 0.00 C ATOM 1023 OG1 THR A 98 74.567 -7.303 3.916 1.00 0.00 O ATOM 1024 CG2 THR A 98 76.526 -6.311 2.923 1.00 0.00 C ATOM 0 H THR A 98 73.127 -4.723 4.787 1.00 0.00 H new ATOM 0 HA THR A 98 76.018 -5.404 5.368 1.00 0.00 H new ATOM 0 HB THR A 98 74.494 -5.627 2.721 1.00 0.00 H new ATOM 0 HG1 THR A 98 75.256 -7.999 3.895 1.00 0.00 H new ATOM 0 HG21 THR A 98 76.461 -6.990 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 98 76.957 -5.364 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 98 77.159 -6.753 3.692 1.00 0.00 H new ATOM 1032 N ILE A 99 76.775 -3.303 4.212 1.00 0.00 N ATOM 1033 CA ILE A 99 77.149 -1.915 3.796 1.00 0.00 C ATOM 1034 C ILE A 99 78.475 -1.937 3.019 1.00 0.00 C ATOM 1035 O ILE A 99 79.281 -2.835 3.187 1.00 0.00 O ATOM 1036 CB ILE A 99 77.252 -1.108 5.108 1.00 0.00 C ATOM 1037 CG1 ILE A 99 77.563 0.361 4.790 1.00 0.00 C ATOM 1038 CG2 ILE A 99 78.348 -1.676 6.022 1.00 0.00 C ATOM 1039 CD1 ILE A 99 77.326 1.219 6.035 1.00 0.00 C ATOM 0 H ILE A 99 77.560 -3.895 4.483 1.00 0.00 H new ATOM 0 HA ILE A 99 76.417 -1.464 3.126 1.00 0.00 H new ATOM 0 HB ILE A 99 76.297 -1.181 5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 99 78.597 0.461 4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 99 76.932 0.708 3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 99 78.398 -1.088 6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 99 78.116 -2.712 6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 99 79.309 -1.631 5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 99 77.548 2.261 5.806 1.00 0.00 H new ATOM 0 HD12 ILE A 99 76.285 1.129 6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 99 77.976 0.878 6.841 1.00 0.00 H new ATOM 1051 N GLU A 100 78.690 -0.953 2.175 1.00 0.00 N ATOM 1052 CA GLU A 100 79.949 -0.894 1.366 1.00 0.00 C ATOM 1053 C GLU A 100 80.415 0.556 1.194 1.00 0.00 C ATOM 1054 O GLU A 100 79.662 1.406 0.751 1.00 0.00 O ATOM 1055 CB GLU A 100 79.582 -1.501 0.009 1.00 0.00 C ATOM 1056 CG GLU A 100 79.592 -3.030 0.100 1.00 0.00 C ATOM 1057 CD GLU A 100 81.034 -3.530 0.238 1.00 0.00 C ATOM 1058 OE1 GLU A 100 81.884 -3.038 -0.484 1.00 0.00 O ATOM 1059 OE2 GLU A 100 81.261 -4.397 1.066 1.00 0.00 O ATOM 0 H GLU A 100 78.041 -0.183 2.012 1.00 0.00 H new ATOM 0 HA GLU A 100 80.766 -1.431 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 100 78.596 -1.153 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 100 80.290 -1.169 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 100 79.000 -3.357 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 100 79.131 -3.460 -0.789 1.00 0.00 H new ATOM 1066 N CYS A 101 81.648 0.832 1.554 1.00 0.00 N ATOM 1067 CA CYS A 101 82.286 2.141 1.200 1.00 0.00 C ATOM 1068 C CYS A 101 83.288 1.932 0.059 1.00 0.00 C ATOM 1069 O CYS A 101 83.903 0.883 -0.032 1.00 0.00 O ATOM 1070 CB CYS A 101 83.025 2.581 2.469 1.00 0.00 C ATOM 1071 SG CYS A 101 81.844 2.951 3.791 1.00 0.00 S ATOM 0 H CYS A 101 82.246 0.198 2.084 1.00 0.00 H new ATOM 0 HA CYS A 101 81.558 2.883 0.872 1.00 0.00 H new ATOM 0 HB2 CYS A 101 83.707 1.794 2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 101 83.631 3.462 2.257 1.00 0.00 H new ATOM 0 HG CYS A 101 82.489 3.320 4.858 1.00 0.00 H new ATOM 1076 N CYS A 102 83.455 2.912 -0.803 1.00 0.00 N ATOM 1077 CA CYS A 102 84.484 2.800 -1.893 1.00 0.00 C ATOM 1078 C CYS A 102 84.893 4.185 -2.408 1.00 0.00 C ATOM 1079 O CYS A 102 84.057 5.039 -2.642 1.00 0.00 O ATOM 1080 CB CYS A 102 83.862 1.938 -3.009 1.00 0.00 C ATOM 1081 SG CYS A 102 82.286 2.625 -3.594 1.00 0.00 S ATOM 0 H CYS A 102 82.924 3.783 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 102 85.397 2.335 -1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 102 84.559 1.866 -3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 102 83.702 0.925 -2.639 1.00 0.00 H new ATOM 1086 N ARG A 103 86.181 4.400 -2.582 1.00 0.00 N ATOM 1087 CA ARG A 103 86.702 5.758 -2.938 1.00 0.00 C ATOM 1088 C ARG A 103 87.181 5.793 -4.398 1.00 0.00 C ATOM 1089 O ARG A 103 88.258 6.280 -4.700 1.00 0.00 O ATOM 1090 CB ARG A 103 87.871 5.990 -1.974 1.00 0.00 C ATOM 1091 CG ARG A 103 88.285 7.465 -2.016 1.00 0.00 C ATOM 1092 CD ARG A 103 89.755 7.602 -1.592 1.00 0.00 C ATOM 1093 NE ARG A 103 89.758 7.536 -0.092 1.00 0.00 N ATOM 1094 CZ ARG A 103 90.753 8.021 0.633 1.00 0.00 C ATOM 1095 NH1 ARG A 103 91.812 8.588 0.096 1.00 0.00 N ATOM 1096 NH2 ARG A 103 90.684 7.929 1.933 1.00 0.00 N ATOM 0 H ARG A 103 86.899 3.681 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 103 85.937 6.530 -2.850 1.00 0.00 H new ATOM 0 HB2 ARG A 103 87.581 5.712 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 103 88.714 5.357 -2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 103 88.148 7.863 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 103 87.649 8.050 -1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 103 90.361 6.803 -2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 103 90.177 8.544 -1.942 1.00 0.00 H new ATOM 0 HE ARG A 103 88.967 7.103 0.384 1.00 0.00 H new ATOM 0 HH11 ARG A 103 91.889 8.667 -0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 103 92.556 8.948 0.694 1.00 0.00 H new ATOM 0 HH21 ARG A 103 89.874 7.490 2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 103 91.440 8.296 2.511 1.00 0.00 H new ATOM 1110 N THR A 104 86.380 5.275 -5.299 1.00 0.00 N ATOM 1111 CA THR A 104 86.729 5.304 -6.755 1.00 0.00 C ATOM 1112 C THR A 104 85.473 5.561 -7.590 1.00 0.00 C ATOM 1113 O THR A 104 84.379 5.215 -7.192 1.00 0.00 O ATOM 1114 CB THR A 104 87.324 3.924 -7.051 1.00 0.00 C ATOM 1115 OG1 THR A 104 86.458 2.917 -6.553 1.00 0.00 O ATOM 1116 CG2 THR A 104 88.692 3.804 -6.377 1.00 0.00 C ATOM 0 H THR A 104 85.489 4.828 -5.084 1.00 0.00 H new ATOM 0 HA THR A 104 87.432 6.099 -7.002 1.00 0.00 H new ATOM 0 HB THR A 104 87.438 3.801 -8.128 1.00 0.00 H new ATOM 0 HG1 THR A 104 86.839 2.034 -6.744 1.00 0.00 H new ATOM 0 HG21 THR A 104 89.116 2.822 -6.587 1.00 0.00 H new ATOM 0 HG22 THR A 104 89.357 4.577 -6.763 1.00 0.00 H new ATOM 0 HG23 THR A 104 88.579 3.927 -5.300 1.00 0.00 H new ATOM 1124 N ASN A 105 85.631 6.160 -8.745 1.00 0.00 N ATOM 1125 CA ASN A 105 84.454 6.764 -9.462 1.00 0.00 C ATOM 1126 C ASN A 105 83.402 5.706 -9.824 1.00 0.00 C ATOM 1127 O ASN A 105 83.716 4.657 -10.355 1.00 0.00 O ATOM 1128 CB ASN A 105 85.013 7.446 -10.725 1.00 0.00 C ATOM 1129 CG ASN A 105 85.748 6.434 -11.616 1.00 0.00 C ATOM 1130 OD1 ASN A 105 86.649 5.755 -11.166 1.00 0.00 O ATOM 1131 ND2 ASN A 105 85.395 6.308 -12.866 1.00 0.00 N ATOM 0 H ASN A 105 86.525 6.259 -9.227 1.00 0.00 H new ATOM 0 HA ASN A 105 83.944 7.482 -8.820 1.00 0.00 H new ATOM 0 HB2 ASN A 105 84.199 7.906 -11.285 1.00 0.00 H new ATOM 0 HB3 ASN A 105 85.695 8.247 -10.439 1.00 0.00 H new ATOM 0 HD21 ASN A 105 85.876 5.639 -13.467 1.00 0.00 H new ATOM 0 HD22 ASN A 105 84.638 6.879 -13.242 1.00 0.00 H new ATOM 1138 N LEU A 106 82.147 5.996 -9.533 1.00 0.00 N ATOM 1139 CA LEU A 106 81.008 5.059 -9.839 1.00 0.00 C ATOM 1140 C LEU A 106 81.262 3.645 -9.290 1.00 0.00 C ATOM 1141 O LEU A 106 80.751 2.675 -9.821 1.00 0.00 O ATOM 1142 CB LEU A 106 80.886 5.018 -11.371 1.00 0.00 C ATOM 1143 CG LEU A 106 80.572 6.417 -11.918 1.00 0.00 C ATOM 1144 CD1 LEU A 106 80.691 6.404 -13.444 1.00 0.00 C ATOM 1145 CD2 LEU A 106 79.148 6.819 -11.522 1.00 0.00 C ATOM 0 H LEU A 106 81.860 6.866 -9.085 1.00 0.00 H new ATOM 0 HA LEU A 106 80.092 5.411 -9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 106 81.815 4.650 -11.807 1.00 0.00 H new ATOM 0 HB3 LEU A 106 80.099 4.322 -11.661 1.00 0.00 H new ATOM 0 HG LEU A 106 81.278 7.135 -11.501 1.00 0.00 H new ATOM 0 HD11 LEU A 106 80.468 7.397 -13.835 1.00 0.00 H new ATOM 0 HD12 LEU A 106 81.705 6.121 -13.727 1.00 0.00 H new ATOM 0 HD13 LEU A 106 79.985 5.684 -13.858 1.00 0.00 H new ATOM 0 HD21 LEU A 106 78.929 7.813 -11.912 1.00 0.00 H new ATOM 0 HD22 LEU A 106 78.439 6.102 -11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 106 79.061 6.829 -10.435 1.00 0.00 H new ATOM 1157 N CYS A 107 82.045 3.529 -8.236 1.00 0.00 N ATOM 1158 CA CYS A 107 82.257 2.188 -7.581 1.00 0.00 C ATOM 1159 C CYS A 107 80.945 1.621 -7.016 1.00 0.00 C ATOM 1160 O CYS A 107 80.824 0.421 -6.832 1.00 0.00 O ATOM 1161 CB CYS A 107 83.294 2.391 -6.460 1.00 0.00 C ATOM 1162 SG CYS A 107 82.755 3.645 -5.258 1.00 0.00 S ATOM 0 H CYS A 107 82.546 4.304 -7.801 1.00 0.00 H new ATOM 0 HA CYS A 107 82.613 1.464 -8.314 1.00 0.00 H new ATOM 0 HB2 CYS A 107 83.463 1.445 -5.946 1.00 0.00 H new ATOM 0 HB3 CYS A 107 84.246 2.692 -6.896 1.00 0.00 H new ATOM 1167 N ASN A 108 79.973 2.464 -6.740 1.00 0.00 N ATOM 1168 CA ASN A 108 78.653 1.971 -6.227 1.00 0.00 C ATOM 1169 C ASN A 108 77.660 1.741 -7.377 1.00 0.00 C ATOM 1170 O ASN A 108 76.722 0.976 -7.231 1.00 0.00 O ATOM 1171 CB ASN A 108 78.144 3.071 -5.287 1.00 0.00 C ATOM 1172 CG ASN A 108 78.640 2.803 -3.861 1.00 0.00 C ATOM 1173 OD1 ASN A 108 79.442 3.544 -3.333 1.00 0.00 O ATOM 1174 ND2 ASN A 108 78.190 1.764 -3.214 1.00 0.00 N ATOM 0 H ASN A 108 80.039 3.476 -6.849 1.00 0.00 H new ATOM 0 HA ASN A 108 78.757 1.013 -5.717 1.00 0.00 H new ATOM 0 HB2 ASN A 108 78.495 4.045 -5.627 1.00 0.00 H new ATOM 0 HB3 ASN A 108 77.055 3.102 -5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 108 78.512 1.575 -2.265 1.00 0.00 H new ATOM 0 HD22 ASN A 108 77.515 1.140 -3.657 1.00 0.00 H new ATOM 1181 N GLN A 109 77.854 2.388 -8.511 1.00 0.00 N ATOM 1182 CA GLN A 109 76.879 2.256 -9.652 1.00 0.00 C ATOM 1183 C GLN A 109 76.805 0.801 -10.136 1.00 0.00 C ATOM 1184 O GLN A 109 75.741 0.311 -10.472 1.00 0.00 O ATOM 1185 CB GLN A 109 77.416 3.159 -10.771 1.00 0.00 C ATOM 1186 CG GLN A 109 76.369 3.284 -11.880 1.00 0.00 C ATOM 1187 CD GLN A 109 76.872 4.249 -12.954 1.00 0.00 C ATOM 1188 OE1 GLN A 109 76.678 5.444 -12.852 1.00 0.00 O ATOM 1189 NE2 GLN A 109 77.515 3.779 -13.987 1.00 0.00 N ATOM 0 H GLN A 109 78.647 3.003 -8.695 1.00 0.00 H new ATOM 0 HA GLN A 109 75.873 2.544 -9.348 1.00 0.00 H new ATOM 0 HB2 GLN A 109 77.657 4.144 -10.372 1.00 0.00 H new ATOM 0 HB3 GLN A 109 78.340 2.744 -11.175 1.00 0.00 H new ATOM 0 HG2 GLN A 109 76.171 2.306 -12.319 1.00 0.00 H new ATOM 0 HG3 GLN A 109 75.427 3.644 -11.466 1.00 0.00 H new ATOM 0 HE21 GLN A 109 77.678 2.776 -14.073 1.00 0.00 H new ATOM 0 HE22 GLN A 109 77.855 4.415 -14.709 1.00 0.00 H new ATOM 1198 N TYR A 110 77.929 0.121 -10.170 1.00 0.00 N ATOM 1199 CA TYR A 110 77.951 -1.313 -10.602 1.00 0.00 C ATOM 1200 C TYR A 110 78.003 -2.267 -9.396 1.00 0.00 C ATOM 1201 O TYR A 110 78.318 -3.434 -9.555 1.00 0.00 O ATOM 1202 CB TYR A 110 79.226 -1.449 -11.436 1.00 0.00 C ATOM 1203 CG TYR A 110 79.215 -0.611 -12.692 1.00 0.00 C ATOM 1204 CD1 TYR A 110 78.277 -0.894 -13.733 1.00 0.00 C ATOM 1205 CD2 TYR A 110 80.146 0.464 -12.843 1.00 0.00 C ATOM 1206 CE1 TYR A 110 78.268 -0.102 -14.923 1.00 0.00 C ATOM 1207 CE2 TYR A 110 80.137 1.258 -14.032 1.00 0.00 C ATOM 1208 CZ TYR A 110 79.197 0.974 -15.073 1.00 0.00 C ATOM 1209 OH TYR A 110 79.188 1.739 -16.221 1.00 0.00 O ATOM 0 H TYR A 110 78.839 0.503 -9.914 1.00 0.00 H new ATOM 0 HA TYR A 110 77.051 -1.575 -11.158 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.083 -1.163 -10.825 1.00 0.00 H new ATOM 0 HB3 TYR A 110 79.363 -2.496 -11.708 1.00 0.00 H new ATOM 0 HD1 TYR A 110 77.575 -1.707 -13.620 1.00 0.00 H new ATOM 0 HD2 TYR A 110 80.857 0.676 -12.058 1.00 0.00 H new ATOM 0 HE1 TYR A 110 77.559 -0.317 -15.709 1.00 0.00 H new ATOM 0 HE2 TYR A 110 80.839 2.071 -14.144 1.00 0.00 H new ATOM 0 HH TYR A 110 79.882 2.428 -16.160 1.00 0.00 H new ATOM 1219 N LEU A 111 77.698 -1.789 -8.205 1.00 0.00 N ATOM 1220 CA LEU A 111 77.827 -2.639 -6.980 1.00 0.00 C ATOM 1221 C LEU A 111 76.446 -2.932 -6.387 1.00 0.00 C ATOM 1222 O LEU A 111 75.764 -2.033 -5.923 1.00 0.00 O ATOM 1223 CB LEU A 111 78.664 -1.801 -6.010 1.00 0.00 C ATOM 1224 CG LEU A 111 79.036 -2.642 -4.785 1.00 0.00 C ATOM 1225 CD1 LEU A 111 80.154 -3.619 -5.158 1.00 0.00 C ATOM 1226 CD2 LEU A 111 79.518 -1.721 -3.663 1.00 0.00 C ATOM 0 H LEU A 111 77.364 -0.841 -8.034 1.00 0.00 H new ATOM 0 HA LEU A 111 78.288 -3.604 -7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 111 79.567 -1.447 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 111 78.104 -0.919 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 111 78.163 -3.200 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 111 80.419 -4.218 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 111 79.812 -4.275 -5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 111 81.028 -3.061 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 111 79.783 -2.318 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 111 80.392 -1.163 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 111 78.723 -1.024 -3.398 1.00 0.00 H new ATOM 1238 N GLN A 112 76.037 -4.181 -6.404 1.00 0.00 N ATOM 1239 CA GLN A 112 74.774 -4.584 -5.710 1.00 0.00 C ATOM 1240 C GLN A 112 75.098 -5.137 -4.307 1.00 0.00 C ATOM 1241 O GLN A 112 75.832 -6.104 -4.210 1.00 0.00 O ATOM 1242 CB GLN A 112 74.178 -5.688 -6.587 1.00 0.00 C ATOM 1243 CG GLN A 112 72.760 -6.009 -6.110 1.00 0.00 C ATOM 1244 CD GLN A 112 72.323 -7.359 -6.682 1.00 0.00 C ATOM 1245 OE1 GLN A 112 72.212 -7.517 -7.883 1.00 0.00 O ATOM 1246 NE2 GLN A 112 72.066 -8.347 -5.868 1.00 0.00 N ATOM 0 H GLN A 112 76.529 -4.942 -6.873 1.00 0.00 H new ATOM 0 HA GLN A 112 74.088 -3.747 -5.579 1.00 0.00 H new ATOM 0 HB2 GLN A 112 74.159 -5.369 -7.629 1.00 0.00 H new ATOM 0 HB3 GLN A 112 74.800 -6.581 -6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 112 72.729 -6.036 -5.021 1.00 0.00 H new ATOM 0 HG3 GLN A 112 72.072 -5.227 -6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 112 72.159 -8.215 -4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 112 71.772 -9.251 -6.239 1.00 0.00 H new ATOM 1255 N PRO A 113 74.557 -4.525 -3.256 1.00 0.00 N ATOM 1256 CA PRO A 113 74.751 -5.078 -1.885 1.00 0.00 C ATOM 1257 C PRO A 113 73.994 -6.402 -1.735 1.00 0.00 C ATOM 1258 O PRO A 113 72.925 -6.575 -2.293 1.00 0.00 O ATOM 1259 CB PRO A 113 74.167 -4.005 -0.963 1.00 0.00 C ATOM 1260 CG PRO A 113 73.219 -3.231 -1.818 1.00 0.00 C ATOM 1261 CD PRO A 113 73.745 -3.291 -3.224 1.00 0.00 C ATOM 0 HA PRO A 113 75.795 -5.294 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 113 73.654 -4.453 -0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 113 74.950 -3.362 -0.561 1.00 0.00 H new ATOM 0 HG2 PRO A 113 72.216 -3.655 -1.763 1.00 0.00 H new ATOM 0 HG3 PRO A 113 73.148 -2.198 -1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 113 72.934 -3.329 -3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 113 74.345 -2.413 -3.462 1.00 0.00 H new ATOM 1269 N THR A 114 74.548 -7.329 -0.984 1.00 0.00 N ATOM 1270 CA THR A 114 73.878 -8.650 -0.773 1.00 0.00 C ATOM 1271 C THR A 114 74.025 -9.088 0.687 1.00 0.00 C ATOM 1272 O THR A 114 75.102 -9.009 1.254 1.00 0.00 O ATOM 1273 CB THR A 114 74.598 -9.633 -1.705 1.00 0.00 C ATOM 1274 OG1 THR A 114 75.995 -9.616 -1.432 1.00 0.00 O ATOM 1275 CG2 THR A 114 74.346 -9.243 -3.164 1.00 0.00 C ATOM 0 H THR A 114 75.443 -7.223 -0.506 1.00 0.00 H new ATOM 0 HA THR A 114 72.811 -8.604 -0.989 1.00 0.00 H new ATOM 0 HB THR A 114 74.213 -10.638 -1.535 1.00 0.00 H new ATOM 0 HG1 THR A 114 76.146 -9.290 -0.520 1.00 0.00 H new ATOM 0 HG21 THR A 114 74.859 -9.944 -3.822 1.00 0.00 H new ATOM 0 HG22 THR A 114 73.276 -9.271 -3.368 1.00 0.00 H new ATOM 0 HG23 THR A 114 74.723 -8.236 -3.342 1.00 0.00 H new ATOM 1283 N LEU A 115 72.950 -9.547 1.289 1.00 0.00 N ATOM 1284 CA LEU A 115 73.005 -10.005 2.716 1.00 0.00 C ATOM 1285 C LEU A 115 73.757 -11.345 2.815 1.00 0.00 C ATOM 1286 O LEU A 115 73.798 -12.078 1.844 1.00 0.00 O ATOM 1287 CB LEU A 115 71.548 -10.181 3.159 1.00 0.00 C ATOM 1288 CG LEU A 115 70.970 -8.824 3.563 1.00 0.00 C ATOM 1289 CD1 LEU A 115 69.442 -8.896 3.550 1.00 0.00 C ATOM 1290 CD2 LEU A 115 71.450 -8.466 4.971 1.00 0.00 C ATOM 0 H LEU A 115 72.033 -9.624 0.850 1.00 0.00 H new ATOM 0 HA LEU A 115 73.531 -9.288 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 115 70.960 -10.612 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 115 71.493 -10.876 3.997 1.00 0.00 H new ATOM 0 HG LEU A 115 71.304 -8.062 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 115 69.030 -7.929 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 115 69.098 -9.153 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 115 69.108 -9.657 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 115 71.039 -7.499 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 115 71.115 -9.228 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 115 72.539 -8.416 4.982 1.00 0.00 H new