USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 526 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 16 LYS NZ :NH3+ -137:sc= -2.02 (180deg=-5.29!) USER MOD Set 1.2: A 47 ASN : amide:sc= -3.17! C(o=-5.2!,f=-11!) USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.164 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00142 USER MOD Single : A 8 LYS NZ :NH3+ 146:sc= 1.08 (180deg=0.137) USER MOD Single : A 10 SER OG : rot -30:sc= 0.303 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 29 SER OG : rot -35:sc= 0.118 USER MOD Single : A 41 THR OG1 : rot 23:sc= 0.269 USER MOD Single : A 46 MET CE :methyl -155:sc= -0.245 (180deg=-1.43) USER MOD Single : A 55 ASN : amide:sc= -7.39! C(o=-7.4!,f=-1.4!) USER MOD Single : A 60 LYS NZ :NH3+ -134:sc= -0.13 (180deg=-2.31!) USER MOD Single : A 62 GLN : amide:sc= -0.505 K(o=-0.51,f=-2.7!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -110:sc= 0.579 USER MOD Single : A 68 GLN : amide:sc= -5.13! K(o=-5.1!,f=-1.6) USER MOD Single : A 69 GLN : amide:sc= -1 K(o=-1,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.822 -3.605 7.164 1.00 1.00 N ATOM 2 CA ALA A 1 -9.996 -3.730 5.690 1.00 1.00 C ATOM 3 C ALA A 1 -10.322 -5.183 5.345 1.00 1.00 C ATOM 4 O ALA A 1 -10.400 -6.039 6.228 1.00 1.00 O ATOM 5 CB ALA A 1 -8.708 -3.287 4.985 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.572 -2.997 7.552 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.879 -4.547 7.601 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.894 -3.183 7.369 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.815 -3.093 5.355 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.834 -3.378 3.906 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.493 -2.249 5.239 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.881 -3.919 5.308 1.00 1.00 H new ATOM 13 N LYS A 2 -10.512 -5.454 4.056 1.00 1.00 N ATOM 14 CA LYS A 2 -10.830 -6.802 3.591 1.00 1.00 C ATOM 15 C LYS A 2 -9.556 -7.549 3.224 1.00 1.00 C ATOM 16 O LYS A 2 -8.564 -6.944 2.823 1.00 1.00 O ATOM 17 CB LYS A 2 -11.751 -6.735 2.372 1.00 1.00 C ATOM 18 CG LYS A 2 -13.107 -6.163 2.793 1.00 1.00 C ATOM 19 CD LYS A 2 -14.040 -6.124 1.582 1.00 1.00 C ATOM 20 CE LYS A 2 -15.400 -5.565 2.003 1.00 1.00 C ATOM 21 NZ LYS A 2 -16.316 -5.548 0.826 1.00 1.00 N ATOM 0 H LYS A 2 -10.451 -4.757 3.314 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.336 -7.334 4.396 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.304 -6.110 1.598 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.880 -7.729 1.944 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.543 -6.775 3.582 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -12.980 -5.160 3.201 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.608 -5.504 0.796 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -14.159 -7.126 1.169 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.825 -6.175 2.800 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.283 -4.557 2.401 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -17.241 -5.168 1.111 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.911 -4.948 0.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -16.436 -6.516 0.465 1.00 1.00 H new ATOM 35 N LYS A 3 -9.587 -8.865 3.367 1.00 1.00 N ATOM 36 CA LYS A 3 -8.425 -9.684 3.058 1.00 1.00 C ATOM 37 C LYS A 3 -8.029 -9.526 1.594 1.00 1.00 C ATOM 38 O LYS A 3 -6.845 -9.499 1.262 1.00 1.00 O ATOM 39 CB LYS A 3 -8.736 -11.149 3.337 1.00 1.00 C ATOM 40 CG LYS A 3 -8.999 -11.344 4.831 1.00 1.00 C ATOM 41 CD LYS A 3 -9.161 -12.837 5.141 1.00 1.00 C ATOM 42 CE LYS A 3 -10.420 -13.382 4.458 1.00 1.00 C ATOM 43 NZ LYS A 3 -10.812 -14.671 5.097 1.00 1.00 N ATOM 0 H LYS A 3 -10.400 -9.387 3.694 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.597 -9.355 3.687 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.607 -11.462 2.761 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.902 -11.775 3.020 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.174 -10.930 5.411 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.898 -10.803 5.125 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -8.284 -13.385 4.796 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -9.228 -12.988 6.218 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -11.233 -12.661 4.540 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -10.234 -13.532 3.395 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.666 -15.042 4.634 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -10.038 -15.358 4.996 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -11.006 -14.513 6.107 1.00 1.00 H new ATOM 57 N GLU A 4 -9.027 -9.435 0.724 1.00 1.00 N ATOM 58 CA GLU A 4 -8.768 -9.291 -0.702 1.00 1.00 C ATOM 59 C GLU A 4 -7.928 -8.043 -0.971 1.00 1.00 C ATOM 60 O GLU A 4 -6.964 -8.085 -1.736 1.00 1.00 O ATOM 61 CB GLU A 4 -10.096 -9.192 -1.461 1.00 1.00 C ATOM 62 CG GLU A 4 -10.788 -7.863 -1.130 1.00 1.00 C ATOM 63 CD GLU A 4 -12.250 -7.912 -1.561 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.855 -8.961 -1.418 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.744 -6.896 -2.023 1.00 1.00 O ATOM 0 H GLU A 4 -10.015 -9.458 0.978 1.00 1.00 H new ATOM 0 HA GLU A 4 -8.215 -10.165 -1.046 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.918 -9.262 -2.534 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.743 -10.026 -1.190 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.723 -7.667 -0.060 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -10.279 -7.043 -1.636 1.00 1.00 H new ATOM 72 N THR A 5 -8.308 -6.931 -0.346 1.00 1.00 N ATOM 73 CA THR A 5 -7.591 -5.676 -0.533 1.00 1.00 C ATOM 74 C THR A 5 -6.222 -5.736 0.139 1.00 1.00 C ATOM 75 O THR A 5 -5.226 -5.273 -0.413 1.00 1.00 O ATOM 76 CB THR A 5 -8.405 -4.504 0.038 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.782 -4.717 -0.246 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.964 -3.191 -0.626 1.00 1.00 C ATOM 0 H THR A 5 -9.103 -6.875 0.290 1.00 1.00 H new ATOM 0 HA THR A 5 -7.449 -5.519 -1.602 1.00 1.00 H new ATOM 0 HB THR A 5 -8.242 -4.442 1.114 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.309 -3.975 0.116 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.544 -2.364 -0.217 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.905 -3.022 -0.431 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.129 -3.254 -1.702 1.00 1.00 H new ATOM 86 N ILE A 6 -6.184 -6.313 1.336 1.00 1.00 N ATOM 87 CA ILE A 6 -4.936 -6.430 2.080 1.00 1.00 C ATOM 88 C ILE A 6 -3.928 -7.267 1.303 1.00 1.00 C ATOM 89 O ILE A 6 -2.754 -6.909 1.212 1.00 1.00 O ATOM 90 CB ILE A 6 -5.205 -7.089 3.442 1.00 1.00 C ATOM 91 CG1 ILE A 6 -6.000 -6.127 4.330 1.00 1.00 C ATOM 92 CG2 ILE A 6 -3.882 -7.450 4.124 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.503 -6.870 5.574 1.00 1.00 C ATOM 0 H ILE A 6 -6.998 -6.705 1.809 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.525 -5.431 2.229 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.782 -8.001 3.288 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.372 -5.286 4.625 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -6.843 -5.716 3.774 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -4.085 -7.916 5.088 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.326 -8.145 3.495 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.292 -6.546 4.275 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -7.068 -6.183 6.204 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.146 -7.696 5.269 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.653 -7.260 6.134 1.00 1.00 H new ATOM 105 N ASP A 7 -4.385 -8.378 0.747 1.00 1.00 N ATOM 106 CA ASP A 7 -3.499 -9.247 -0.011 1.00 1.00 C ATOM 107 C ASP A 7 -2.943 -8.505 -1.214 1.00 1.00 C ATOM 108 O ASP A 7 -1.777 -8.661 -1.574 1.00 1.00 O ATOM 109 CB ASP A 7 -4.263 -10.484 -0.482 1.00 1.00 C ATOM 110 CG ASP A 7 -3.290 -11.556 -0.965 1.00 1.00 C ATOM 111 OD1 ASP A 7 -2.136 -11.506 -0.569 1.00 1.00 O ATOM 112 OD2 ASP A 7 -3.712 -12.414 -1.721 1.00 1.00 O ATOM 0 H ASP A 7 -5.352 -8.697 0.805 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.674 -9.554 0.632 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.871 -10.876 0.333 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -4.946 -10.213 -1.288 1.00 1.00 H new ATOM 117 N LYS A 8 -3.788 -7.697 -1.829 1.00 1.00 N ATOM 118 CA LYS A 8 -3.375 -6.929 -2.996 1.00 1.00 C ATOM 119 C LYS A 8 -2.304 -5.915 -2.626 1.00 1.00 C ATOM 120 O LYS A 8 -1.296 -5.783 -3.317 1.00 1.00 O ATOM 121 CB LYS A 8 -4.579 -6.184 -3.571 1.00 1.00 C ATOM 122 CG LYS A 8 -5.535 -7.169 -4.265 1.00 1.00 C ATOM 123 CD LYS A 8 -5.094 -7.421 -5.724 1.00 1.00 C ATOM 124 CE LYS A 8 -5.724 -6.375 -6.646 1.00 1.00 C ATOM 125 NZ LYS A 8 -5.301 -6.630 -8.051 1.00 1.00 N ATOM 0 H LYS A 8 -4.757 -7.554 -1.545 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.970 -7.622 -3.734 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -5.104 -5.658 -2.774 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -4.243 -5.430 -4.283 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.554 -8.111 -3.718 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.550 -6.771 -4.250 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -4.007 -7.376 -5.798 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -5.394 -8.421 -6.036 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.811 -6.415 -6.569 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -5.419 -5.374 -6.339 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -6.075 -6.376 -8.698 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.463 -6.055 -8.271 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -5.070 -7.637 -8.167 1.00 1.00 H new ATOM 139 N VAL A 9 -2.534 -5.195 -1.538 1.00 1.00 N ATOM 140 CA VAL A 9 -1.586 -4.186 -1.103 1.00 1.00 C ATOM 141 C VAL A 9 -0.235 -4.812 -0.802 1.00 1.00 C ATOM 142 O VAL A 9 0.805 -4.298 -1.213 1.00 1.00 O ATOM 143 CB VAL A 9 -2.113 -3.476 0.151 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.031 -2.559 0.727 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.346 -2.645 -0.206 1.00 1.00 C ATOM 0 H VAL A 9 -3.360 -5.290 -0.947 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.465 -3.461 -1.908 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.382 -4.226 0.895 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.414 -2.059 1.617 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.155 -3.151 0.992 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.753 -1.813 -0.017 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.717 -2.142 0.687 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.079 -1.901 -0.956 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.122 -3.298 -0.604 1.00 1.00 H new ATOM 155 N SER A 10 -0.254 -5.915 -0.075 1.00 1.00 N ATOM 156 CA SER A 10 0.984 -6.582 0.283 1.00 1.00 C ATOM 157 C SER A 10 1.768 -6.962 -0.964 1.00 1.00 C ATOM 158 O SER A 10 2.971 -6.724 -1.040 1.00 1.00 O ATOM 159 CB SER A 10 0.676 -7.847 1.085 1.00 1.00 C ATOM 160 OG SER A 10 -0.141 -8.708 0.301 1.00 1.00 O ATOM 0 H SER A 10 -1.101 -6.363 0.275 1.00 1.00 H new ATOM 0 HA SER A 10 1.582 -5.897 0.884 1.00 1.00 H new ATOM 0 HB2 SER A 10 1.602 -8.353 1.359 1.00 1.00 H new ATOM 0 HB3 SER A 10 0.167 -7.589 2.014 1.00 1.00 H new ATOM 0 HG SER A 10 -0.697 -8.172 -0.302 1.00 1.00 H new ATOM 166 N ASP A 11 1.074 -7.538 -1.943 1.00 1.00 N ATOM 167 CA ASP A 11 1.713 -7.956 -3.187 1.00 1.00 C ATOM 168 C ASP A 11 2.419 -6.786 -3.845 1.00 1.00 C ATOM 169 O ASP A 11 3.547 -6.918 -4.310 1.00 1.00 O ATOM 170 CB ASP A 11 0.666 -8.522 -4.146 1.00 1.00 C ATOM 171 CG ASP A 11 1.347 -9.077 -5.393 1.00 1.00 C ATOM 172 OD1 ASP A 11 2.546 -8.897 -5.519 1.00 1.00 O ATOM 173 OD2 ASP A 11 0.660 -9.681 -6.200 1.00 1.00 O ATOM 0 H ASP A 11 0.072 -7.725 -1.899 1.00 1.00 H new ATOM 0 HA ASP A 11 2.449 -8.726 -2.953 1.00 1.00 H new ATOM 0 HB2 ASP A 11 0.096 -9.309 -3.652 1.00 1.00 H new ATOM 0 HB3 ASP A 11 -0.043 -7.742 -4.425 1.00 1.00 H new ATOM 178 N ILE A 12 1.761 -5.640 -3.872 1.00 1.00 N ATOM 179 CA ILE A 12 2.361 -4.463 -4.475 1.00 1.00 C ATOM 180 C ILE A 12 3.694 -4.160 -3.822 1.00 1.00 C ATOM 181 O ILE A 12 4.662 -3.884 -4.513 1.00 1.00 O ATOM 182 CB ILE A 12 1.403 -3.248 -4.328 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.510 -3.107 -5.573 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.166 -1.930 -4.109 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.499 -4.248 -5.638 1.00 1.00 C ATOM 0 H ILE A 12 0.826 -5.500 -3.490 1.00 1.00 H new ATOM 0 HA ILE A 12 2.530 -4.656 -5.534 1.00 1.00 H new ATOM 0 HB ILE A 12 0.789 -3.440 -3.448 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -0.014 -2.152 -5.546 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.126 -3.107 -6.472 1.00 1.00 H new ATOM 0 HG21 ILE A 12 1.455 -1.110 -4.012 1.00 1.00 H new ATOM 0 HG22 ILE A 12 2.763 -2.002 -3.200 1.00 1.00 H new ATOM 0 HG23 ILE A 12 2.821 -1.743 -4.960 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -1.122 -4.132 -6.525 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.030 -5.199 -5.688 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -1.128 -4.229 -4.748 1.00 1.00 H new ATOM 197 N VAL A 13 3.726 -4.187 -2.501 1.00 1.00 N ATOM 198 CA VAL A 13 4.949 -3.871 -1.781 1.00 1.00 C ATOM 199 C VAL A 13 6.035 -4.898 -2.070 1.00 1.00 C ATOM 200 O VAL A 13 7.195 -4.547 -2.270 1.00 1.00 O ATOM 201 CB VAL A 13 4.668 -3.825 -0.278 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.948 -3.453 0.477 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.590 -2.774 0.007 1.00 1.00 C ATOM 0 H VAL A 13 2.929 -4.422 -1.910 1.00 1.00 H new ATOM 0 HA VAL A 13 5.301 -2.896 -2.118 1.00 1.00 H new ATOM 0 HB VAL A 13 4.324 -4.805 0.053 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.743 -3.421 1.547 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.718 -4.198 0.277 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.295 -2.474 0.145 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.389 -2.740 1.078 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.937 -1.797 -0.328 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.676 -3.037 -0.526 1.00 1.00 H new ATOM 213 N LYS A 14 5.652 -6.165 -2.067 1.00 1.00 N ATOM 214 CA LYS A 14 6.603 -7.247 -2.302 1.00 1.00 C ATOM 215 C LYS A 14 7.228 -7.122 -3.685 1.00 1.00 C ATOM 216 O LYS A 14 8.416 -7.378 -3.867 1.00 1.00 O ATOM 217 CB LYS A 14 5.881 -8.592 -2.200 1.00 1.00 C ATOM 218 CG LYS A 14 5.003 -8.653 -0.915 1.00 1.00 C ATOM 219 CD LYS A 14 5.355 -9.872 -0.058 1.00 1.00 C ATOM 220 CE LYS A 14 6.663 -9.618 0.694 1.00 1.00 C ATOM 221 NZ LYS A 14 6.371 -8.877 1.952 1.00 1.00 N ATOM 0 H LYS A 14 4.693 -6.472 -1.905 1.00 1.00 H new ATOM 0 HA LYS A 14 7.390 -7.185 -1.551 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.256 -8.742 -3.080 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.611 -9.401 -2.186 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.144 -7.743 -0.332 1.00 1.00 H new ATOM 0 HG3 LYS A 14 3.950 -8.693 -1.193 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.551 -10.074 0.650 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.454 -10.755 -0.689 1.00 1.00 H new ATOM 0 HE2 LYS A 14 7.155 -10.564 0.921 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.349 -9.044 0.071 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 7.258 -8.703 2.466 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.919 -7.969 1.723 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.731 -9.442 2.547 1.00 1.00 H new ATOM 235 N GLU A 15 6.418 -6.735 -4.662 1.00 1.00 N ATOM 236 CA GLU A 15 6.904 -6.590 -6.029 1.00 1.00 C ATOM 237 C GLU A 15 7.993 -5.532 -6.121 1.00 1.00 C ATOM 238 O GLU A 15 8.791 -5.530 -7.056 1.00 1.00 O ATOM 239 CB GLU A 15 5.745 -6.215 -6.960 1.00 1.00 C ATOM 240 CG GLU A 15 4.832 -7.427 -7.171 1.00 1.00 C ATOM 241 CD GLU A 15 3.620 -7.029 -8.006 1.00 1.00 C ATOM 242 OE1 GLU A 15 3.558 -5.883 -8.419 1.00 1.00 O ATOM 243 OE2 GLU A 15 2.772 -7.879 -8.223 1.00 1.00 O ATOM 0 H GLU A 15 5.430 -6.517 -4.536 1.00 1.00 H new ATOM 0 HA GLU A 15 7.329 -7.546 -6.336 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.176 -5.390 -6.532 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.134 -5.870 -7.918 1.00 1.00 H new ATOM 0 HG2 GLU A 15 5.382 -8.224 -7.671 1.00 1.00 H new ATOM 0 HG3 GLU A 15 4.507 -7.820 -6.208 1.00 1.00 H new ATOM 250 N LYS A 16 8.014 -4.626 -5.159 1.00 1.00 N ATOM 251 CA LYS A 16 9.003 -3.557 -5.160 1.00 1.00 C ATOM 252 C LYS A 16 10.405 -4.132 -5.010 1.00 1.00 C ATOM 253 O LYS A 16 11.330 -3.720 -5.710 1.00 1.00 O ATOM 254 CB LYS A 16 8.704 -2.581 -4.011 1.00 1.00 C ATOM 255 CG LYS A 16 7.237 -2.155 -4.031 1.00 1.00 C ATOM 256 CD LYS A 16 6.941 -1.219 -5.203 1.00 1.00 C ATOM 257 CE LYS A 16 5.443 -1.054 -5.362 1.00 1.00 C ATOM 258 NZ LYS A 16 5.202 0.158 -6.181 1.00 1.00 N ATOM 0 H LYS A 16 7.365 -4.607 -4.373 1.00 1.00 H new ATOM 0 HA LYS A 16 8.950 -3.023 -6.109 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.938 -3.053 -3.057 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.344 -1.703 -4.098 1.00 1.00 H new ATOM 0 HG2 LYS A 16 6.602 -3.038 -4.100 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.989 -1.656 -3.094 1.00 1.00 H new ATOM 0 HD2 LYS A 16 7.407 -0.249 -5.032 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.371 -1.622 -6.120 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.012 -1.932 -5.843 1.00 1.00 H new ATOM 0 HE3 LYS A 16 4.964 -0.957 -4.388 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 4.420 0.706 -5.768 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 6.063 0.742 -6.199 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 4.954 -0.122 -7.151 1.00 1.00 H new ATOM 272 N LEU A 17 10.565 -5.095 -4.101 1.00 1.00 N ATOM 273 CA LEU A 17 11.869 -5.725 -3.880 1.00 1.00 C ATOM 274 C LEU A 17 11.882 -7.110 -4.511 1.00 1.00 C ATOM 275 O LEU A 17 12.856 -7.847 -4.377 1.00 1.00 O ATOM 276 CB LEU A 17 12.171 -5.833 -2.369 1.00 1.00 C ATOM 277 CG LEU A 17 10.847 -5.847 -1.572 1.00 1.00 C ATOM 278 CD1 LEU A 17 11.039 -6.572 -0.245 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.378 -4.408 -1.299 1.00 1.00 C ATOM 0 H LEU A 17 9.815 -5.454 -3.510 1.00 1.00 H new ATOM 0 HA LEU A 17 12.639 -5.108 -4.343 1.00 1.00 H new ATOM 0 HB2 LEU A 17 12.738 -6.741 -2.166 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.789 -4.993 -2.051 1.00 1.00 H new ATOM 0 HG LEU A 17 10.094 -6.368 -2.163 1.00 1.00 H new ATOM 0 HD11 LEU A 17 10.099 -6.575 0.307 1.00 1.00 H new ATOM 0 HD12 LEU A 17 11.353 -7.599 -0.433 1.00 1.00 H new ATOM 0 HD13 LEU A 17 11.803 -6.061 0.341 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.444 -4.430 -0.737 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.137 -3.881 -0.721 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.220 -3.891 -2.246 1.00 1.00 H new ATOM 291 N ALA A 18 10.797 -7.454 -5.195 1.00 1.00 N ATOM 292 CA ALA A 18 10.698 -8.757 -5.846 1.00 1.00 C ATOM 293 C ALA A 18 10.526 -9.883 -4.826 1.00 1.00 C ATOM 294 O ALA A 18 11.361 -10.784 -4.739 1.00 1.00 O ATOM 295 CB ALA A 18 11.954 -9.010 -6.684 1.00 1.00 C ATOM 0 H ALA A 18 9.980 -6.856 -5.313 1.00 1.00 H new ATOM 0 HA ALA A 18 9.817 -8.747 -6.488 1.00 1.00 H new ATOM 0 HB1 ALA A 18 11.878 -9.983 -7.169 1.00 1.00 H new ATOM 0 HB2 ALA A 18 12.048 -8.233 -7.443 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.832 -8.994 -6.038 1.00 1.00 H new ATOM 301 N LEU A 19 9.436 -9.832 -4.065 1.00 1.00 N ATOM 302 CA LEU A 19 9.148 -10.855 -3.058 1.00 1.00 C ATOM 303 C LEU A 19 7.805 -11.521 -3.345 1.00 1.00 C ATOM 304 O LEU A 19 7.250 -11.390 -4.437 1.00 1.00 O ATOM 305 CB LEU A 19 9.137 -10.206 -1.661 1.00 1.00 C ATOM 306 CG LEU A 19 10.479 -10.424 -0.950 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.624 -9.823 -1.782 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.410 -9.781 0.450 1.00 1.00 C ATOM 0 H LEU A 19 8.735 -9.093 -4.125 1.00 1.00 H new ATOM 0 HA LEU A 19 9.922 -11.622 -3.093 1.00 1.00 H new ATOM 0 HB2 LEU A 19 8.938 -9.138 -1.752 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.330 -10.631 -1.064 1.00 1.00 H new ATOM 0 HG LEU A 19 10.675 -11.491 -0.841 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.571 -9.984 -1.267 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.656 -10.305 -2.759 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.458 -8.753 -1.910 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.359 -9.929 0.966 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.214 -8.713 0.351 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.608 -10.245 1.024 1.00 1.00 H new ATOM 320 N GLY A 20 7.296 -12.238 -2.347 1.00 1.00 N ATOM 321 CA GLY A 20 6.023 -12.933 -2.468 1.00 1.00 C ATOM 322 C GLY A 20 6.241 -14.392 -2.846 1.00 1.00 C ATOM 323 O GLY A 20 5.301 -15.094 -3.213 1.00 1.00 O ATOM 0 H GLY A 20 7.751 -12.352 -1.441 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.479 -12.874 -1.525 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.407 -12.445 -3.223 1.00 1.00 H new ATOM 327 N ALA A 21 7.489 -14.849 -2.745 1.00 1.00 N ATOM 328 CA ALA A 21 7.810 -16.235 -3.072 1.00 1.00 C ATOM 329 C ALA A 21 7.515 -17.140 -1.879 1.00 1.00 C ATOM 330 O ALA A 21 6.456 -17.767 -1.811 1.00 1.00 O ATOM 331 CB ALA A 21 9.288 -16.354 -3.450 1.00 1.00 C ATOM 0 H ALA A 21 8.284 -14.286 -2.443 1.00 1.00 H new ATOM 0 HA ALA A 21 7.195 -16.545 -3.917 1.00 1.00 H new ATOM 0 HB1 ALA A 21 9.519 -17.391 -3.693 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.494 -15.724 -4.316 1.00 1.00 H new ATOM 0 HB3 ALA A 21 9.905 -16.031 -2.611 1.00 1.00 H new ATOM 337 N ASP A 22 8.457 -17.200 -0.937 1.00 1.00 N ATOM 338 CA ASP A 22 8.300 -18.027 0.264 1.00 1.00 C ATOM 339 C ASP A 22 8.297 -17.161 1.520 1.00 1.00 C ATOM 340 O ASP A 22 8.464 -17.663 2.632 1.00 1.00 O ATOM 341 CB ASP A 22 9.437 -19.047 0.348 1.00 1.00 C ATOM 342 CG ASP A 22 9.270 -20.095 -0.747 1.00 1.00 C ATOM 343 OD1 ASP A 22 8.212 -20.124 -1.355 1.00 1.00 O ATOM 344 OD2 ASP A 22 10.203 -20.850 -0.966 1.00 1.00 O ATOM 0 H ASP A 22 9.337 -16.687 -0.981 1.00 1.00 H new ATOM 0 HA ASP A 22 7.346 -18.550 0.197 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.398 -18.544 0.240 1.00 1.00 H new ATOM 0 HB3 ASP A 22 9.436 -19.527 1.327 1.00 1.00 H new ATOM 349 N VAL A 23 8.118 -15.856 1.336 1.00 1.00 N ATOM 350 CA VAL A 23 8.102 -14.926 2.460 1.00 1.00 C ATOM 351 C VAL A 23 6.690 -14.771 3.012 1.00 1.00 C ATOM 352 O VAL A 23 5.737 -14.562 2.260 1.00 1.00 O ATOM 353 CB VAL A 23 8.630 -13.562 2.017 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.879 -12.690 3.250 1.00 1.00 C ATOM 355 CG2 VAL A 23 9.939 -13.750 1.247 1.00 1.00 C ATOM 0 H VAL A 23 7.983 -15.420 0.424 1.00 1.00 H new ATOM 0 HA VAL A 23 8.743 -15.327 3.245 1.00 1.00 H new ATOM 0 HB VAL A 23 7.898 -13.077 1.372 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.256 -11.716 2.937 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.946 -12.559 3.798 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.613 -13.173 3.895 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.317 -12.778 0.930 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.674 -14.233 1.891 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.759 -14.373 0.371 1.00 1.00 H new ATOM 365 N VAL A 24 6.563 -14.870 4.331 1.00 1.00 N ATOM 366 CA VAL A 24 5.264 -14.736 4.978 1.00 1.00 C ATOM 367 C VAL A 24 4.713 -13.333 4.762 1.00 1.00 C ATOM 368 O VAL A 24 5.463 -12.356 4.755 1.00 1.00 O ATOM 369 CB VAL A 24 5.390 -15.009 6.478 1.00 1.00 C ATOM 370 CG1 VAL A 24 4.044 -14.751 7.163 1.00 1.00 C ATOM 371 CG2 VAL A 24 5.801 -16.465 6.696 1.00 1.00 C ATOM 0 H VAL A 24 7.340 -15.042 4.970 1.00 1.00 H new ATOM 0 HA VAL A 24 4.581 -15.463 4.538 1.00 1.00 H new ATOM 0 HB VAL A 24 6.145 -14.348 6.904 1.00 1.00 H new ATOM 0 HG11 VAL A 24 4.136 -14.946 8.231 1.00 1.00 H new ATOM 0 HG12 VAL A 24 3.750 -13.713 7.008 1.00 1.00 H new ATOM 0 HG13 VAL A 24 3.287 -15.410 6.738 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.891 -16.662 7.764 1.00 1.00 H new ATOM 0 HG22 VAL A 24 5.046 -17.124 6.268 1.00 1.00 H new ATOM 0 HG23 VAL A 24 6.760 -16.649 6.211 1.00 1.00 H new ATOM 381 N VAL A 25 3.396 -13.238 4.583 1.00 1.00 N ATOM 382 CA VAL A 25 2.736 -11.950 4.362 1.00 1.00 C ATOM 383 C VAL A 25 1.685 -11.701 5.438 1.00 1.00 C ATOM 384 O VAL A 25 0.857 -12.565 5.728 1.00 1.00 O ATOM 385 CB VAL A 25 2.067 -11.941 2.981 1.00 1.00 C ATOM 386 CG1 VAL A 25 1.167 -13.172 2.832 1.00 1.00 C ATOM 387 CG2 VAL A 25 1.221 -10.672 2.825 1.00 1.00 C ATOM 0 H VAL A 25 2.764 -14.038 4.587 1.00 1.00 H new ATOM 0 HA VAL A 25 3.486 -11.160 4.410 1.00 1.00 H new ATOM 0 HB VAL A 25 2.839 -11.961 2.212 1.00 1.00 H new ATOM 0 HG11 VAL A 25 0.695 -13.161 1.850 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.767 -14.076 2.936 1.00 1.00 H new ATOM 0 HG13 VAL A 25 0.398 -13.156 3.605 1.00 1.00 H new ATOM 0 HG21 VAL A 25 0.747 -10.669 1.843 1.00 1.00 H new ATOM 0 HG22 VAL A 25 0.453 -10.649 3.598 1.00 1.00 H new ATOM 0 HG23 VAL A 25 1.860 -9.794 2.922 1.00 1.00 H new ATOM 397 N THR A 26 1.719 -10.504 6.021 1.00 1.00 N ATOM 398 CA THR A 26 0.764 -10.126 7.062 1.00 1.00 C ATOM 399 C THR A 26 0.327 -8.675 6.880 1.00 1.00 C ATOM 400 O THR A 26 1.058 -7.860 6.315 1.00 1.00 O ATOM 401 CB THR A 26 1.399 -10.312 8.449 1.00 1.00 C ATOM 402 OG1 THR A 26 2.755 -9.892 8.411 1.00 1.00 O ATOM 403 CG2 THR A 26 1.337 -11.785 8.854 1.00 1.00 C ATOM 0 H THR A 26 2.398 -9.779 5.790 1.00 1.00 H new ATOM 0 HA THR A 26 -0.113 -10.768 6.982 1.00 1.00 H new ATOM 0 HB THR A 26 0.850 -9.714 9.176 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.159 -10.009 9.296 1.00 1.00 H new ATOM 0 HG21 THR A 26 1.789 -11.911 9.838 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.297 -12.110 8.888 1.00 1.00 H new ATOM 0 HG23 THR A 26 1.881 -12.386 8.125 1.00 1.00 H new ATOM 411 N ALA A 27 -0.868 -8.365 7.366 1.00 1.00 N ATOM 412 CA ALA A 27 -1.404 -7.015 7.262 1.00 1.00 C ATOM 413 C ALA A 27 -0.639 -6.064 8.181 1.00 1.00 C ATOM 414 O ALA A 27 -0.609 -4.853 7.969 1.00 1.00 O ATOM 415 CB ALA A 27 -2.894 -7.019 7.634 1.00 1.00 C ATOM 0 H ALA A 27 -1.483 -9.029 7.835 1.00 1.00 H new ATOM 0 HA ALA A 27 -1.290 -6.670 6.234 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -3.291 -6.007 7.555 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -3.437 -7.676 6.955 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -3.013 -7.377 8.657 1.00 1.00 H new ATOM 421 N ASP A 28 -0.030 -6.624 9.216 1.00 1.00 N ATOM 422 CA ASP A 28 0.726 -5.828 10.181 1.00 1.00 C ATOM 423 C ASP A 28 2.221 -5.961 9.930 1.00 1.00 C ATOM 424 O ASP A 28 3.033 -5.688 10.811 1.00 1.00 O ATOM 425 CB ASP A 28 0.400 -6.281 11.604 1.00 1.00 C ATOM 426 CG ASP A 28 0.803 -7.736 11.803 1.00 1.00 C ATOM 427 OD1 ASP A 28 1.477 -8.269 10.937 1.00 1.00 O ATOM 428 OD2 ASP A 28 0.432 -8.296 12.822 1.00 1.00 O ATOM 0 H ASP A 28 -0.042 -7.625 9.412 1.00 1.00 H new ATOM 0 HA ASP A 28 0.442 -4.782 10.062 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.924 -5.650 12.322 1.00 1.00 H new ATOM 0 HB3 ASP A 28 -0.667 -6.163 11.795 1.00 1.00 H new ATOM 433 N SER A 29 2.574 -6.403 8.731 1.00 1.00 N ATOM 434 CA SER A 29 3.976 -6.584 8.380 1.00 1.00 C ATOM 435 C SER A 29 4.710 -5.253 8.325 1.00 1.00 C ATOM 436 O SER A 29 5.939 -5.219 8.260 1.00 1.00 O ATOM 437 CB SER A 29 4.102 -7.295 7.033 1.00 1.00 C ATOM 438 OG SER A 29 5.445 -7.730 6.855 1.00 1.00 O ATOM 0 H SER A 29 1.915 -6.641 7.990 1.00 1.00 H new ATOM 0 HA SER A 29 4.432 -7.197 9.157 1.00 1.00 H new ATOM 0 HB2 SER A 29 3.423 -8.147 6.994 1.00 1.00 H new ATOM 0 HB3 SER A 29 3.816 -6.622 6.225 1.00 1.00 H new ATOM 0 HG SER A 29 6.056 -7.079 7.258 1.00 1.00 H new ATOM 444 N GLU A 30 3.953 -4.164 8.342 1.00 1.00 N ATOM 445 CA GLU A 30 4.545 -2.833 8.288 1.00 1.00 C ATOM 446 C GLU A 30 5.390 -2.687 7.030 1.00 1.00 C ATOM 447 O GLU A 30 6.598 -2.925 7.050 1.00 1.00 O ATOM 448 CB GLU A 30 5.417 -2.589 9.525 1.00 1.00 C ATOM 449 CG GLU A 30 4.556 -2.679 10.784 1.00 1.00 C ATOM 450 CD GLU A 30 5.429 -2.569 12.027 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.628 -2.406 11.872 1.00 1.00 O ATOM 452 OE2 GLU A 30 4.887 -2.651 13.116 1.00 1.00 O ATOM 0 H GLU A 30 2.934 -4.175 8.392 1.00 1.00 H new ATOM 0 HA GLU A 30 3.742 -2.097 8.268 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.220 -3.325 9.568 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.887 -1.608 9.463 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.812 -1.883 10.782 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.012 -3.624 10.795 1.00 1.00 H new ATOM 600 N THR A 41 7.531 6.758 -1.971 1.00 1.00 N ATOM 601 CA THR A 41 6.090 6.864 -1.782 1.00 1.00 C ATOM 602 C THR A 41 5.386 6.968 -3.125 1.00 1.00 C ATOM 603 O THR A 41 4.318 6.390 -3.317 1.00 1.00 O ATOM 604 CB THR A 41 5.757 8.090 -0.928 1.00 1.00 C ATOM 605 OG1 THR A 41 6.582 8.095 0.227 1.00 1.00 O ATOM 606 CG2 THR A 41 4.282 8.056 -0.509 1.00 1.00 C ATOM 0 HA THR A 41 5.743 5.967 -1.269 1.00 1.00 H new ATOM 0 HB THR A 41 5.937 8.993 -1.511 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.388 7.565 0.056 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.056 8.933 0.098 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.651 8.058 -1.398 1.00 1.00 H new ATOM 0 HG23 THR A 41 4.089 7.153 0.071 1.00 1.00 H new ATOM 614 N VAL A 42 5.986 7.715 -4.048 1.00 1.00 N ATOM 615 CA VAL A 42 5.404 7.897 -5.372 1.00 1.00 C ATOM 616 C VAL A 42 5.231 6.551 -6.069 1.00 1.00 C ATOM 617 O VAL A 42 4.287 6.352 -6.834 1.00 1.00 O ATOM 618 CB VAL A 42 6.299 8.802 -6.221 1.00 1.00 C ATOM 619 CG1 VAL A 42 5.734 8.896 -7.640 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.348 10.198 -5.597 1.00 1.00 C ATOM 0 H VAL A 42 6.871 8.201 -3.903 1.00 1.00 H new ATOM 0 HA VAL A 42 4.426 8.364 -5.256 1.00 1.00 H new ATOM 0 HB VAL A 42 7.305 8.385 -6.260 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.372 9.541 -8.244 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.699 7.901 -8.084 1.00 1.00 H new ATOM 0 HG13 VAL A 42 4.727 9.313 -7.604 1.00 1.00 H new ATOM 0 HG21 VAL A 42 6.985 10.844 -6.201 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.342 10.615 -5.558 1.00 1.00 H new ATOM 0 HG23 VAL A 42 6.752 10.131 -4.587 1.00 1.00 H new ATOM 630 N GLU A 43 6.148 5.630 -5.815 1.00 1.00 N ATOM 631 CA GLU A 43 6.071 4.311 -6.432 1.00 1.00 C ATOM 632 C GLU A 43 4.933 3.483 -5.836 1.00 1.00 C ATOM 633 O GLU A 43 4.167 2.850 -6.563 1.00 1.00 O ATOM 634 CB GLU A 43 7.389 3.571 -6.237 1.00 1.00 C ATOM 635 CG GLU A 43 8.482 4.266 -7.048 1.00 1.00 C ATOM 636 CD GLU A 43 9.817 3.565 -6.827 1.00 1.00 C ATOM 637 OE1 GLU A 43 9.827 2.555 -6.145 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.809 4.048 -7.347 1.00 1.00 O ATOM 0 H GLU A 43 6.946 5.767 -5.194 1.00 1.00 H new ATOM 0 HA GLU A 43 5.876 4.450 -7.495 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.658 3.555 -5.181 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.288 2.534 -6.556 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.225 4.252 -8.107 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.557 5.312 -6.752 1.00 1.00 H new ATOM 645 N ILE A 44 4.843 3.470 -4.509 1.00 1.00 N ATOM 646 CA ILE A 44 3.813 2.689 -3.822 1.00 1.00 C ATOM 647 C ILE A 44 2.410 3.222 -4.100 1.00 1.00 C ATOM 648 O ILE A 44 1.497 2.461 -4.416 1.00 1.00 O ATOM 649 CB ILE A 44 4.060 2.718 -2.318 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.492 2.270 -2.008 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.079 1.778 -1.629 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.771 0.880 -2.581 1.00 1.00 C ATOM 0 H ILE A 44 5.466 3.988 -3.889 1.00 1.00 H new ATOM 0 HA ILE A 44 3.874 1.669 -4.201 1.00 1.00 H new ATOM 0 HB ILE A 44 3.919 3.736 -1.954 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.199 2.987 -2.425 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.648 2.260 -0.929 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.253 1.796 -0.553 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.059 2.100 -1.837 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.223 0.764 -2.003 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.795 0.588 -2.346 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.079 0.160 -2.144 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.639 0.899 -3.663 1.00 1.00 H new ATOM 664 N VAL A 45 2.239 4.531 -3.972 1.00 1.00 N ATOM 665 CA VAL A 45 0.934 5.138 -4.195 1.00 1.00 C ATOM 666 C VAL A 45 0.453 4.882 -5.612 1.00 1.00 C ATOM 667 O VAL A 45 -0.707 4.536 -5.833 1.00 1.00 O ATOM 668 CB VAL A 45 1.013 6.644 -3.947 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.954 7.289 -4.961 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.376 7.260 -4.090 1.00 1.00 C ATOM 0 H VAL A 45 2.978 5.186 -3.718 1.00 1.00 H new ATOM 0 HA VAL A 45 0.225 4.688 -3.500 1.00 1.00 H new ATOM 0 HB VAL A 45 1.391 6.818 -2.940 1.00 1.00 H new ATOM 0 HG11 VAL A 45 2.005 8.362 -4.778 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.949 6.856 -4.861 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.580 7.110 -5.969 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.318 8.334 -3.913 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.753 7.078 -5.097 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -1.051 6.808 -3.363 1.00 1.00 H new ATOM 680 N MET A 46 1.345 5.052 -6.574 1.00 1.00 N ATOM 681 CA MET A 46 0.986 4.841 -7.964 1.00 1.00 C ATOM 682 C MET A 46 0.628 3.383 -8.210 1.00 1.00 C ATOM 683 O MET A 46 -0.311 3.080 -8.946 1.00 1.00 O ATOM 684 CB MET A 46 2.147 5.262 -8.875 1.00 1.00 C ATOM 685 CG MET A 46 2.237 6.798 -8.994 1.00 1.00 C ATOM 686 SD MET A 46 0.675 7.522 -9.577 1.00 1.00 S ATOM 687 CE MET A 46 0.494 6.528 -11.071 1.00 1.00 C ATOM 0 H MET A 46 2.313 5.333 -6.419 1.00 1.00 H new ATOM 0 HA MET A 46 0.113 5.452 -8.194 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.084 4.870 -8.479 1.00 1.00 H new ATOM 0 HB3 MET A 46 2.012 4.826 -9.865 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.495 7.223 -8.024 1.00 1.00 H new ATOM 0 HG3 MET A 46 3.040 7.063 -9.682 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.115 7.068 -11.796 1.00 1.00 H new ATOM 0 HE2 MET A 46 1.477 6.331 -11.498 1.00 1.00 H new ATOM 0 HE3 MET A 46 0.011 5.583 -10.823 1.00 1.00 H new ATOM 697 N ASN A 47 1.370 2.480 -7.596 1.00 1.00 N ATOM 698 CA ASN A 47 1.098 1.066 -7.776 1.00 1.00 C ATOM 699 C ASN A 47 -0.294 0.730 -7.244 1.00 1.00 C ATOM 700 O ASN A 47 -1.070 0.039 -7.902 1.00 1.00 O ATOM 701 CB ASN A 47 2.165 0.249 -7.037 1.00 1.00 C ATOM 702 CG ASN A 47 2.289 -1.143 -7.640 1.00 1.00 C ATOM 703 OD1 ASN A 47 3.239 -1.867 -7.347 1.00 1.00 O ATOM 704 ND2 ASN A 47 1.378 -1.561 -8.463 1.00 1.00 N ATOM 0 H ASN A 47 2.153 2.695 -6.978 1.00 1.00 H new ATOM 0 HA ASN A 47 1.129 0.819 -8.837 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.125 0.762 -7.092 1.00 1.00 H new ATOM 0 HB3 ASN A 47 1.905 0.172 -5.981 1.00 1.00 H new ATOM 0 HD21 ASN A 47 1.448 -2.494 -8.870 1.00 1.00 H new ATOM 0 HD22 ASN A 47 0.592 -0.957 -8.703 1.00 1.00 H new ATOM 711 N LEU A 48 -0.605 1.234 -6.053 1.00 1.00 N ATOM 712 CA LEU A 48 -1.911 0.990 -5.450 1.00 1.00 C ATOM 713 C LEU A 48 -3.002 1.694 -6.239 1.00 1.00 C ATOM 714 O LEU A 48 -4.066 1.128 -6.493 1.00 1.00 O ATOM 715 CB LEU A 48 -1.919 1.492 -4.005 1.00 1.00 C ATOM 716 CG LEU A 48 -0.975 0.618 -3.167 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.781 1.244 -1.785 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.548 -0.804 -3.006 1.00 1.00 C ATOM 0 H LEU A 48 0.023 1.809 -5.491 1.00 1.00 H new ATOM 0 HA LEU A 48 -2.103 -0.083 -5.463 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.601 2.534 -3.967 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.929 1.452 -3.598 1.00 1.00 H new ATOM 0 HG LEU A 48 -0.017 0.555 -3.682 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -0.110 0.620 -1.194 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.350 2.239 -1.894 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.745 1.319 -1.281 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.863 -1.407 -2.409 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -2.516 -0.752 -2.507 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.671 -1.260 -3.988 1.00 1.00 H new ATOM 730 N GLU A 49 -2.729 2.937 -6.621 1.00 1.00 N ATOM 731 CA GLU A 49 -3.692 3.717 -7.378 1.00 1.00 C ATOM 732 C GLU A 49 -3.887 3.107 -8.761 1.00 1.00 C ATOM 733 O GLU A 49 -5.010 3.012 -9.256 1.00 1.00 O ATOM 734 CB GLU A 49 -3.209 5.162 -7.514 1.00 1.00 C ATOM 735 CG GLU A 49 -4.335 6.025 -8.089 1.00 1.00 C ATOM 736 CD GLU A 49 -3.850 7.456 -8.286 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.818 7.793 -7.728 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.515 8.194 -8.994 1.00 1.00 O ATOM 0 H GLU A 49 -1.854 3.420 -6.419 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.644 3.709 -6.847 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.902 5.547 -6.542 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.335 5.205 -8.164 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.670 5.612 -9.040 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -5.193 6.013 -7.416 1.00 1.00 H new ATOM 745 N GLU A 50 -2.782 2.694 -9.378 1.00 1.00 N ATOM 746 CA GLU A 50 -2.841 2.088 -10.700 1.00 1.00 C ATOM 747 C GLU A 50 -3.502 0.715 -10.633 1.00 1.00 C ATOM 748 O GLU A 50 -4.313 0.369 -11.492 1.00 1.00 O ATOM 749 CB GLU A 50 -1.429 1.947 -11.277 1.00 1.00 C ATOM 750 CG GLU A 50 -1.511 1.411 -12.708 1.00 1.00 C ATOM 751 CD GLU A 50 -0.116 1.343 -13.321 1.00 1.00 C ATOM 752 OE1 GLU A 50 0.780 1.958 -12.770 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.032 0.677 -14.332 1.00 1.00 O ATOM 0 H GLU A 50 -1.844 2.768 -8.985 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.435 2.734 -11.346 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.923 2.913 -11.268 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.838 1.272 -10.658 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.966 0.420 -12.708 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -2.151 2.056 -13.310 1.00 1.00 H new ATOM 760 N GLU A 51 -3.149 -0.070 -9.616 1.00 1.00 N ATOM 761 CA GLU A 51 -3.720 -1.406 -9.470 1.00 1.00 C ATOM 762 C GLU A 51 -5.233 -1.330 -9.278 1.00 1.00 C ATOM 763 O GLU A 51 -5.987 -2.047 -9.938 1.00 1.00 O ATOM 764 CB GLU A 51 -3.087 -2.105 -8.267 1.00 1.00 C ATOM 765 CG GLU A 51 -3.544 -3.566 -8.210 1.00 1.00 C ATOM 766 CD GLU A 51 -2.923 -4.348 -9.361 1.00 1.00 C ATOM 767 OE1 GLU A 51 -2.064 -3.796 -10.029 1.00 1.00 O ATOM 768 OE2 GLU A 51 -3.310 -5.488 -9.553 1.00 1.00 O ATOM 0 H GLU A 51 -2.480 0.191 -8.891 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.513 -1.973 -10.378 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -2.000 -2.058 -8.339 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.368 -1.591 -7.348 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -3.253 -4.010 -7.258 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -4.631 -3.619 -8.268 1.00 1.00 H new ATOM 775 N PHE A 52 -5.675 -0.464 -8.370 1.00 1.00 N ATOM 776 CA PHE A 52 -7.103 -0.310 -8.095 1.00 1.00 C ATOM 777 C PHE A 52 -7.709 0.761 -8.998 1.00 1.00 C ATOM 778 O PHE A 52 -8.926 0.937 -9.036 1.00 1.00 O ATOM 779 CB PHE A 52 -7.302 0.065 -6.624 1.00 1.00 C ATOM 780 CG PHE A 52 -7.119 -1.165 -5.765 1.00 1.00 C ATOM 781 CD1 PHE A 52 -8.112 -2.152 -5.737 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.965 -1.315 -4.989 1.00 1.00 C ATOM 783 CE1 PHE A 52 -7.951 -3.286 -4.938 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.808 -2.449 -4.185 1.00 1.00 C ATOM 785 CZ PHE A 52 -6.805 -3.430 -4.159 1.00 1.00 C ATOM 0 H PHE A 52 -5.069 0.140 -7.814 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.608 -1.255 -8.298 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.587 0.835 -6.333 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.298 0.482 -6.475 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -9.004 -2.036 -6.335 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -5.196 -0.557 -5.010 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -8.714 -4.050 -4.924 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.918 -2.567 -3.585 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.686 -4.302 -3.533 1.00 1.00 H new ATOM 795 N GLY A 53 -6.853 1.465 -9.730 1.00 1.00 N ATOM 796 CA GLY A 53 -7.324 2.503 -10.639 1.00 1.00 C ATOM 797 C GLY A 53 -8.148 3.547 -9.894 1.00 1.00 C ATOM 798 O GLY A 53 -9.122 4.079 -10.427 1.00 1.00 O ATOM 0 H GLY A 53 -5.841 1.338 -9.713 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.473 2.983 -11.122 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.927 2.054 -11.429 1.00 1.00 H new ATOM 802 N ILE A 54 -7.758 3.837 -8.651 1.00 1.00 N ATOM 803 CA ILE A 54 -8.470 4.820 -7.840 1.00 1.00 C ATOM 804 C ILE A 54 -7.730 6.156 -7.864 1.00 1.00 C ATOM 805 O ILE A 54 -6.984 6.442 -8.800 1.00 1.00 O ATOM 806 CB ILE A 54 -8.598 4.309 -6.399 1.00 1.00 C ATOM 807 CG1 ILE A 54 -7.200 3.975 -5.854 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.498 3.063 -6.370 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.269 3.674 -4.358 1.00 1.00 C ATOM 0 H ILE A 54 -6.957 3.407 -8.188 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.468 4.968 -8.253 1.00 1.00 H new ATOM 0 HB ILE A 54 -9.049 5.078 -5.772 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.791 3.116 -6.386 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.524 4.811 -6.032 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.587 2.702 -5.345 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.486 3.319 -6.752 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -9.060 2.283 -6.992 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.271 3.439 -3.988 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.657 4.545 -3.829 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.928 2.823 -4.188 1.00 1.00 H new ATOM 821 N ASN A 55 -7.947 6.974 -6.835 1.00 1.00 N ATOM 822 CA ASN A 55 -7.302 8.279 -6.739 1.00 1.00 C ATOM 823 C ASN A 55 -6.772 8.501 -5.328 1.00 1.00 C ATOM 824 O ASN A 55 -7.541 8.708 -4.388 1.00 1.00 O ATOM 825 CB ASN A 55 -8.306 9.378 -7.086 1.00 1.00 C ATOM 826 CG ASN A 55 -9.420 9.425 -6.042 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.929 10.501 -5.729 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.824 8.321 -5.476 1.00 1.00 N ATOM 0 H ASN A 55 -8.566 6.754 -6.055 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.469 8.312 -7.441 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.799 10.342 -7.131 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.730 9.194 -8.073 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.563 8.349 -4.773 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.401 7.430 -5.736 1.00 1.00 H new ATOM 835 N VAL A 56 -5.452 8.459 -5.182 1.00 1.00 N ATOM 836 CA VAL A 56 -4.823 8.660 -3.877 1.00 1.00 C ATOM 837 C VAL A 56 -4.156 10.029 -3.824 1.00 1.00 C ATOM 838 O VAL A 56 -3.285 10.340 -4.636 1.00 1.00 O ATOM 839 CB VAL A 56 -3.772 7.572 -3.631 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.097 7.815 -2.269 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.440 6.185 -3.644 1.00 1.00 C ATOM 0 H VAL A 56 -4.798 8.289 -5.946 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.591 8.603 -3.105 1.00 1.00 H new ATOM 0 HB VAL A 56 -3.021 7.609 -4.420 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.349 7.043 -2.091 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.616 8.793 -2.271 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -3.848 7.782 -1.480 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.687 5.417 -3.469 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.196 6.138 -2.860 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -4.911 6.017 -4.613 1.00 1.00 H new ATOM 851 N ASP A 57 -4.575 10.843 -2.859 1.00 1.00 N ATOM 852 CA ASP A 57 -4.019 12.182 -2.698 1.00 1.00 C ATOM 853 C ASP A 57 -2.731 12.131 -1.884 1.00 1.00 C ATOM 854 O ASP A 57 -2.596 11.316 -0.972 1.00 1.00 O ATOM 855 CB ASP A 57 -5.035 13.088 -1.999 1.00 1.00 C ATOM 856 CG ASP A 57 -6.214 13.358 -2.927 1.00 1.00 C ATOM 857 OD1 ASP A 57 -6.125 12.996 -4.089 1.00 1.00 O ATOM 858 OD2 ASP A 57 -7.190 13.923 -2.462 1.00 1.00 O ATOM 0 H ASP A 57 -5.295 10.599 -2.179 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.794 12.585 -3.686 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.384 12.616 -1.081 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.562 14.028 -1.715 1.00 1.00 H new ATOM 863 N GLU A 58 -1.791 13.006 -2.218 1.00 1.00 N ATOM 864 CA GLU A 58 -0.518 13.049 -1.509 1.00 1.00 C ATOM 865 C GLU A 58 -0.750 13.221 -0.012 1.00 1.00 C ATOM 866 O GLU A 58 0.139 12.953 0.797 1.00 1.00 O ATOM 867 CB GLU A 58 0.328 14.215 -2.029 1.00 1.00 C ATOM 868 CG GLU A 58 0.725 13.949 -3.482 1.00 1.00 C ATOM 869 CD GLU A 58 1.555 15.111 -4.018 1.00 1.00 C ATOM 870 OE1 GLU A 58 1.792 16.042 -3.264 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.944 15.053 -5.172 1.00 1.00 O ATOM 0 H GLU A 58 -1.884 13.690 -2.969 1.00 1.00 H new ATOM 0 HA GLU A 58 0.008 12.110 -1.682 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.235 15.146 -1.959 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.219 14.334 -1.413 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.296 13.023 -3.548 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -0.168 13.817 -4.093 1.00 1.00 H new ATOM 878 N ASP A 59 -1.950 13.667 0.350 1.00 1.00 N ATOM 879 CA ASP A 59 -2.284 13.868 1.754 1.00 1.00 C ATOM 880 C ASP A 59 -2.703 12.553 2.392 1.00 1.00 C ATOM 881 O ASP A 59 -2.613 12.386 3.607 1.00 1.00 O ATOM 882 CB ASP A 59 -3.422 14.881 1.884 1.00 1.00 C ATOM 883 CG ASP A 59 -2.921 16.272 1.506 1.00 1.00 C ATOM 884 OD1 ASP A 59 -1.716 16.436 1.401 1.00 1.00 O ATOM 885 OD2 ASP A 59 -3.747 17.151 1.326 1.00 1.00 O ATOM 0 H ASP A 59 -2.700 13.894 -0.303 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.401 14.248 2.267 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -4.251 14.595 1.237 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.802 14.886 2.906 1.00 1.00 H new ATOM 890 N LYS A 60 -3.161 11.621 1.562 1.00 1.00 N ATOM 891 CA LYS A 60 -3.596 10.318 2.048 1.00 1.00 C ATOM 892 C LYS A 60 -2.455 9.312 1.973 1.00 1.00 C ATOM 893 O LYS A 60 -2.539 8.229 2.538 1.00 1.00 O ATOM 894 CB LYS A 60 -4.795 9.832 1.207 1.00 1.00 C ATOM 895 CG LYS A 60 -6.113 10.004 1.983 1.00 1.00 C ATOM 896 CD LYS A 60 -6.191 8.996 3.146 1.00 1.00 C ATOM 897 CE LYS A 60 -7.649 8.724 3.506 1.00 1.00 C ATOM 898 NZ LYS A 60 -7.710 8.080 4.847 1.00 1.00 N ATOM 0 H LYS A 60 -3.240 11.744 0.553 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.900 10.409 3.091 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -4.841 10.393 0.274 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.658 8.784 0.942 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -6.184 11.021 2.370 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -6.959 9.859 1.311 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.698 8.065 2.865 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.661 9.388 4.014 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.215 9.656 3.511 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -8.106 8.077 2.757 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -8.360 7.269 4.813 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.761 7.753 5.118 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -8.052 8.768 5.547 1.00 1.00 H new ATOM 912 N ALA A 61 -1.390 9.670 1.273 1.00 1.00 N ATOM 913 CA ALA A 61 -0.240 8.780 1.136 1.00 1.00 C ATOM 914 C ALA A 61 1.012 9.456 1.663 1.00 1.00 C ATOM 915 O ALA A 61 2.057 9.422 1.024 1.00 1.00 O ATOM 916 CB ALA A 61 -0.044 8.411 -0.335 1.00 1.00 C ATOM 0 H ALA A 61 -1.295 10.565 0.792 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.425 7.875 1.715 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.815 7.747 -0.432 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -0.936 7.907 -0.706 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.129 9.316 -0.917 1.00 1.00 H new ATOM 922 N GLN A 62 0.897 10.080 2.835 1.00 1.00 N ATOM 923 CA GLN A 62 2.032 10.771 3.453 1.00 1.00 C ATOM 924 C GLN A 62 2.389 10.136 4.792 1.00 1.00 C ATOM 925 O GLN A 62 3.565 10.007 5.134 1.00 1.00 O ATOM 926 CB GLN A 62 1.690 12.248 3.661 1.00 1.00 C ATOM 927 CG GLN A 62 0.394 12.368 4.465 1.00 1.00 C ATOM 928 CD GLN A 62 -0.042 13.827 4.530 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.457 14.659 3.772 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.948 14.190 5.395 1.00 1.00 N ATOM 0 H GLN A 62 0.033 10.122 3.375 1.00 1.00 H new ATOM 0 HA GLN A 62 2.890 10.684 2.787 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.503 12.749 4.186 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.579 12.745 2.697 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.388 11.766 4.003 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.543 11.979 5.472 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.360 13.499 6.022 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -1.244 15.165 5.444 1.00 1.00 H new ATOM 939 N ASP A 63 1.366 9.745 5.551 1.00 1.00 N ATOM 940 CA ASP A 63 1.578 9.130 6.861 1.00 1.00 C ATOM 941 C ASP A 63 0.632 7.950 7.067 1.00 1.00 C ATOM 942 O ASP A 63 -0.101 7.895 8.055 1.00 1.00 O ATOM 943 CB ASP A 63 1.344 10.164 7.959 1.00 1.00 C ATOM 944 CG ASP A 63 2.475 11.186 7.959 1.00 1.00 C ATOM 945 OD1 ASP A 63 3.478 10.928 7.314 1.00 1.00 O ATOM 946 OD2 ASP A 63 2.322 12.209 8.603 1.00 1.00 O ATOM 0 H ASP A 63 0.387 9.842 5.283 1.00 1.00 H new ATOM 0 HA ASP A 63 2.605 8.767 6.907 1.00 1.00 H new ATOM 0 HB2 ASP A 63 0.389 10.665 7.801 1.00 1.00 H new ATOM 0 HB3 ASP A 63 1.288 9.671 8.929 1.00 1.00 H new ATOM 951 N ILE A 64 0.661 7.004 6.134 1.00 1.00 N ATOM 952 CA ILE A 64 -0.193 5.821 6.220 1.00 1.00 C ATOM 953 C ILE A 64 0.494 4.720 7.015 1.00 1.00 C ATOM 954 O ILE A 64 1.661 4.393 6.782 1.00 1.00 O ATOM 955 CB ILE A 64 -0.532 5.313 4.816 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.369 6.364 4.065 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.310 4.001 4.899 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.699 6.657 4.801 1.00 1.00 C ATOM 0 H ILE A 64 1.264 7.031 5.312 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.114 6.099 6.733 1.00 1.00 H new ATOM 0 HB ILE A 64 0.398 5.139 4.275 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.795 7.286 3.966 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.580 6.010 3.056 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.544 3.652 3.893 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.706 3.252 5.412 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.236 4.161 5.452 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.266 7.403 4.244 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.283 5.740 4.877 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.486 7.035 5.801 1.00 1.00 H new ATOM 970 N SER A 65 -0.246 4.154 7.961 1.00 1.00 N ATOM 971 CA SER A 65 0.277 3.084 8.802 1.00 1.00 C ATOM 972 C SER A 65 0.496 1.831 7.967 1.00 1.00 C ATOM 973 O SER A 65 0.370 1.867 6.751 1.00 1.00 O ATOM 974 CB SER A 65 -0.682 2.800 9.972 1.00 1.00 C ATOM 975 OG SER A 65 0.075 2.666 11.166 1.00 1.00 O ATOM 0 H SER A 65 -1.210 4.418 8.165 1.00 1.00 H new ATOM 0 HA SER A 65 1.234 3.397 9.219 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.404 3.610 10.073 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.250 1.889 9.781 1.00 1.00 H new ATOM 0 HG SER A 65 -0.528 2.487 11.917 1.00 1.00 H new ATOM 981 N THR A 66 0.829 0.736 8.636 1.00 1.00 N ATOM 982 CA THR A 66 1.073 -0.530 7.957 1.00 1.00 C ATOM 983 C THR A 66 -0.011 -0.823 6.927 1.00 1.00 C ATOM 984 O THR A 66 -0.867 0.012 6.639 1.00 1.00 O ATOM 985 CB THR A 66 1.139 -1.669 8.980 1.00 1.00 C ATOM 986 OG1 THR A 66 1.563 -2.860 8.336 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.231 -1.916 9.608 1.00 1.00 C ATOM 0 H THR A 66 0.937 0.698 9.650 1.00 1.00 H new ATOM 0 HA THR A 66 2.027 -0.454 7.435 1.00 1.00 H new ATOM 0 HB THR A 66 1.844 -1.385 9.761 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.815 -3.491 8.291 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.159 -2.729 10.331 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.568 -1.011 10.113 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.945 -2.185 8.830 1.00 1.00 H new ATOM 995 N ILE A 67 0.033 -2.016 6.366 1.00 1.00 N ATOM 996 CA ILE A 67 -0.936 -2.396 5.351 1.00 1.00 C ATOM 997 C ILE A 67 -2.360 -2.280 5.896 1.00 1.00 C ATOM 998 O ILE A 67 -3.264 -1.831 5.194 1.00 1.00 O ATOM 999 CB ILE A 67 -0.682 -3.831 4.896 1.00 1.00 C ATOM 1000 CG1 ILE A 67 0.675 -3.910 4.197 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.781 -4.259 3.928 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.052 -5.377 3.976 1.00 1.00 C ATOM 0 H ILE A 67 0.721 -2.734 6.591 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.826 -1.720 4.503 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.683 -4.494 5.761 1.00 1.00 H new ATOM 0 HG12 ILE A 67 0.635 -3.386 3.242 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.436 -3.415 4.800 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.600 -5.283 3.603 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.748 -4.202 4.427 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.781 -3.598 3.062 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.020 -5.433 3.478 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.109 -5.887 4.938 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.296 -5.857 3.355 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.558 -2.704 7.140 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.886 -2.656 7.757 1.00 1.00 C ATOM 1016 C GLN A 68 -4.609 -1.358 7.398 1.00 1.00 C ATOM 1017 O GLN A 68 -5.704 -1.383 6.838 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.742 -2.748 9.281 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.392 -4.182 9.689 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.652 -5.041 9.713 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.205 -5.299 10.783 1.00 1.00 O ATOM 1022 NE2 GLN A 68 -5.162 -5.474 8.592 1.00 1.00 N ATOM 0 H GLN A 68 -1.825 -3.082 7.740 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.471 -3.496 7.382 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.965 -2.064 9.623 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.671 -2.441 9.761 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.669 -4.602 8.989 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -2.922 -4.184 10.672 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.703 -5.260 7.707 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -6.019 -6.027 8.602 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.993 -0.228 7.715 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.595 1.066 7.407 1.00 1.00 C ATOM 1033 C GLN A 69 -4.601 1.319 5.905 1.00 1.00 C ATOM 1034 O GLN A 69 -5.570 1.842 5.357 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.817 2.178 8.114 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.256 2.261 9.583 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.632 2.909 9.676 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -6.475 2.470 10.459 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.912 3.935 8.919 1.00 1.00 N ATOM 0 H GLN A 69 -3.087 -0.178 8.180 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.626 1.059 7.759 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.747 1.981 8.055 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -3.994 3.132 7.617 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -4.284 1.263 10.020 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.532 2.840 10.156 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -5.212 4.297 8.271 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.831 4.375 8.975 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.511 0.956 5.243 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.405 1.170 3.806 1.00 1.00 C ATOM 1050 C ALA A 70 -4.574 0.516 3.075 1.00 1.00 C ATOM 1051 O ALA A 70 -5.189 1.124 2.200 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.084 0.594 3.305 1.00 1.00 C ATOM 0 H ALA A 70 -2.696 0.517 5.672 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.435 2.241 3.605 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.002 0.753 2.230 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.256 1.091 3.809 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.049 -0.475 3.518 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.876 -0.721 3.440 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.973 -1.440 2.811 1.00 1.00 C ATOM 1060 C ALA A 71 -7.293 -0.717 3.056 1.00 1.00 C ATOM 1061 O ALA A 71 -8.143 -0.643 2.172 1.00 1.00 O ATOM 1062 CB ALA A 71 -6.051 -2.855 3.379 1.00 1.00 C ATOM 0 H ALA A 71 -4.381 -1.244 4.163 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.792 -1.486 1.737 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.874 -3.392 2.906 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -5.115 -3.378 3.182 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.220 -2.806 4.455 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.460 -0.189 4.264 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.684 0.520 4.613 1.00 1.00 C ATOM 1070 C ASP A 72 -8.838 1.785 3.773 1.00 1.00 C ATOM 1071 O ASP A 72 -9.938 2.122 3.338 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.669 0.895 6.096 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.938 1.659 6.456 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.845 1.681 5.641 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -9.985 2.212 7.543 1.00 1.00 O ATOM 0 H ASP A 72 -6.768 -0.238 5.012 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.527 -0.141 4.411 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.592 -0.005 6.706 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -7.793 1.505 6.316 1.00 1.00 H new ATOM 1080 N VAL A 73 -7.727 2.483 3.551 1.00 1.00 N ATOM 1081 CA VAL A 73 -7.753 3.714 2.766 1.00 1.00 C ATOM 1082 C VAL A 73 -8.226 3.424 1.344 1.00 1.00 C ATOM 1083 O VAL A 73 -9.050 4.153 0.794 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.349 4.344 2.737 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.291 5.454 1.679 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.021 4.940 4.115 1.00 1.00 C ATOM 0 H VAL A 73 -6.805 2.220 3.900 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.449 4.414 3.229 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.621 3.571 2.488 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.293 5.893 1.667 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.515 5.034 0.698 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.024 6.224 1.919 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.026 5.385 4.091 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -6.756 5.706 4.364 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.048 4.152 4.868 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.697 2.361 0.757 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.068 1.991 -0.602 1.00 1.00 C ATOM 1098 C ILE A 74 -9.552 1.654 -0.675 1.00 1.00 C ATOM 1099 O ILE A 74 -10.242 2.058 -1.611 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.232 0.789 -1.059 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.778 1.226 -1.236 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.770 0.252 -2.384 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.880 -0.005 -1.325 1.00 1.00 C ATOM 0 H ILE A 74 -7.014 1.743 1.196 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.872 2.836 -1.263 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.291 0.002 -0.308 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.676 1.829 -2.138 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.471 1.852 -0.398 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -7.170 -0.601 -2.701 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.806 -0.060 -2.256 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.717 1.034 -3.142 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.844 0.309 -1.451 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.973 -0.590 -0.410 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -5.181 -0.614 -2.177 1.00 1.00 H new ATOM 1115 N GLU A 75 -10.039 0.914 0.313 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.444 0.534 0.338 1.00 1.00 C ATOM 1117 C GLU A 75 -12.334 1.758 0.158 1.00 1.00 C ATOM 1118 O GLU A 75 -13.270 1.743 -0.643 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.772 -0.158 1.665 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.240 -1.589 1.646 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.519 -2.256 2.982 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -11.993 -1.574 3.876 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.271 -3.440 3.088 1.00 1.00 O ATOM 0 H GLU A 75 -9.488 0.569 1.099 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.632 -0.156 -0.485 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.328 0.394 2.493 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.850 -0.163 1.827 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.713 -2.152 0.841 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.168 -1.586 1.447 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.039 2.813 0.898 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.822 4.037 0.803 1.00 1.00 C ATOM 1132 C GLY A 76 -12.657 4.687 -0.566 1.00 1.00 C ATOM 1133 O GLY A 76 -13.604 5.246 -1.115 1.00 1.00 O ATOM 0 H GLY A 76 -11.270 2.849 1.567 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.874 3.814 0.979 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.509 4.734 1.580 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.446 4.613 -1.109 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.157 5.211 -2.410 1.00 1.00 C ATOM 1139 C LEU A 77 -11.786 4.398 -3.530 1.00 1.00 C ATOM 1140 O LEU A 77 -11.804 4.819 -4.687 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.640 5.286 -2.612 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.034 6.278 -1.606 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.511 6.139 -1.616 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.411 7.726 -1.982 1.00 1.00 C ATOM 0 H LEU A 77 -10.651 4.147 -0.671 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.581 6.215 -2.435 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.196 4.300 -2.478 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.414 5.602 -3.630 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.426 6.056 -0.613 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.077 6.841 -0.904 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.237 5.122 -1.336 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.132 6.355 -2.615 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -8.974 8.415 -1.259 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.030 7.954 -2.977 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.496 7.833 -1.975 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.310 3.236 -3.176 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.957 2.363 -4.150 1.00 1.00 C ATOM 1158 C LEU A 78 -14.459 2.623 -4.188 1.00 1.00 C ATOM 1159 O LEU A 78 -15.160 2.118 -5.064 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.684 0.896 -3.797 1.00 1.00 C ATOM 1161 CG LEU A 78 -11.317 0.446 -4.342 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.906 -0.866 -3.667 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -11.382 0.228 -5.865 1.00 1.00 C ATOM 0 H LEU A 78 -12.302 2.873 -2.223 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.546 2.576 -5.137 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.709 0.767 -2.715 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.471 0.265 -4.211 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.586 1.225 -4.128 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.938 -1.186 -4.052 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.836 -0.715 -2.590 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.652 -1.633 -3.878 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -10.405 -0.090 -6.229 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -12.121 -0.541 -6.091 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.666 1.160 -6.354 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.951 3.392 -3.229 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.380 3.676 -3.168 1.00 1.00 C ATOM 1177 C GLU A 79 -16.808 4.670 -4.233 1.00 1.00 C ATOM 1178 O GLU A 79 -17.590 4.347 -5.127 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.706 4.239 -1.795 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.382 3.207 -0.718 1.00 1.00 C ATOM 1181 CD GLU A 79 -17.342 2.027 -0.813 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -18.389 2.190 -1.415 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -17.010 0.975 -0.293 1.00 1.00 O ATOM 0 H GLU A 79 -14.394 3.825 -2.492 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.921 2.747 -3.348 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.134 5.150 -1.621 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.760 4.510 -1.745 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.355 2.860 -0.834 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -16.454 3.665 0.268 1.00 1.00 H new