USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 597 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 64 ASN : amide:sc= 0.515 K(o=1.9,f=-1.7) USER MOD Set 1.2: A 109 LYS NZ :NH3+ -173:sc= -0.0115 (180deg=0) USER MOD Set 1.3: A 127 GLN : amide:sc= 1.42 K(o=1.9,f=-1.1) USER MOD Set 2.1: A 77 SER OG : rot 150:sc= 0 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.593 K(o=0.59,f=0) USER MOD Set 3.1: A 55 SER OG : rot 179:sc= 0.0559 USER MOD Set 3.2: A 57 THR OG1 : rot -46:sc= 0.197 USER MOD Single : A 56 ASN : amide:sc= 0.627 K(o=0.63,f=-0.33) USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 1.01 (180deg=1.01) USER MOD Single : A 66 GLN : amide:sc= 1.04 K(o=1,f=-6.1!) USER MOD Single : A 68 THR OG1 : rot -120:sc= -0.158 USER MOD Single : A 71 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.34) USER MOD Single : A 79 HIS : no HD1:sc= -5.79! X(o=-5.8!,f=-5.6) USER MOD Single : A 81 CYS SG : rot -170:sc=-0.00911 USER MOD Single : A 83 MET CE :methyl 162:sc= -0.163 (180deg=-0.464) USER MOD Single : A 84 LYS NZ :NH3+ -154:sc= 1.28 (180deg=1.16) USER MOD Single : A 87 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0288) USER MOD Single : A 92 GLN : amide:sc= 0.00582 K(o=0.0058,f=-4.9!) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 121:sc= 0.175 USER MOD Single : A 103 HIS : no HD1:sc= -0.0977 K(o=2.1,f=-11!) USER MOD Single : A 105 HIS : no HE2:sc= -4.29! K(o=-4.3!,f=-2.8) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00998) USER MOD Single : A 116 THR OG1 : rot -150:sc= 0.0583 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0429 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.746 7.868 2.334 1.00 0.00 N ATOM 2 CA SER A 55 -12.523 7.197 1.051 1.00 0.00 C ATOM 3 C SER A 55 -12.674 5.717 1.205 1.00 0.00 C ATOM 4 O SER A 55 -12.999 5.216 2.280 1.00 0.00 O ATOM 5 CB SER A 55 -11.101 7.484 0.535 1.00 0.00 C ATOM 6 OG SER A 55 -11.036 7.279 -0.872 1.00 0.00 O ATOM 0 HA SER A 55 -13.260 7.576 0.343 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.820 8.510 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.386 6.833 1.038 1.00 0.00 H new ATOM 0 HG SER A 55 -10.132 7.481 -1.191 1.00 0.00 H new ATOM 14 N ASN A 56 -12.449 4.990 0.099 1.00 0.00 N ATOM 15 CA ASN A 56 -12.428 3.559 0.141 1.00 0.00 C ATOM 16 C ASN A 56 -11.407 3.127 -0.865 1.00 0.00 C ATOM 17 O ASN A 56 -11.431 2.011 -1.382 1.00 0.00 O ATOM 18 CB ASN A 56 -13.801 2.947 -0.169 1.00 0.00 C ATOM 19 CG ASN A 56 -13.797 1.489 0.277 1.00 0.00 C ATOM 20 OD1 ASN A 56 -13.655 1.188 1.462 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.961 0.557 -0.697 1.00 0.00 N ATOM 0 H ASN A 56 -12.282 5.390 -0.824 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.176 3.213 1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.586 3.498 0.348 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.013 3.015 -1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.970 -0.435 -0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.076 0.849 -1.668 1.00 0.00 H new ATOM 28 N THR A 57 -10.455 4.036 -1.151 1.00 0.00 N ATOM 29 CA THR A 57 -9.456 3.770 -2.141 1.00 0.00 C ATOM 30 C THR A 57 -8.179 4.372 -1.644 1.00 0.00 C ATOM 31 O THR A 57 -8.195 5.298 -0.830 1.00 0.00 O ATOM 32 CB THR A 57 -9.791 4.382 -3.514 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.737 5.803 -3.454 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.220 4.085 -3.981 1.00 0.00 C ATOM 0 H THR A 57 -10.377 4.948 -0.701 1.00 0.00 H new ATOM 0 HA THR A 57 -9.388 2.692 -2.286 1.00 0.00 H new ATOM 0 HB THR A 57 -9.060 3.942 -4.193 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.206 6.115 -2.652 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.388 4.546 -4.954 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.360 3.007 -4.061 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.930 4.491 -3.260 1.00 0.00 H new ATOM 42 N ILE A 58 -7.039 3.816 -2.092 1.00 0.00 N ATOM 43 CA ILE A 58 -5.770 4.419 -1.803 1.00 0.00 C ATOM 44 C ILE A 58 -4.912 4.183 -3.002 1.00 0.00 C ATOM 45 O ILE A 58 -5.270 3.400 -3.883 1.00 0.00 O ATOM 46 CB ILE A 58 -5.046 3.867 -0.559 1.00 0.00 C ATOM 47 CG1 ILE A 58 -5.942 3.034 0.366 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.332 4.955 0.260 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.077 1.571 -0.068 1.00 0.00 C ATOM 0 H ILE A 58 -6.992 2.961 -2.647 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.949 5.471 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.293 3.200 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.538 3.069 1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.933 3.487 0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.843 4.500 1.121 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.586 5.448 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.061 5.689 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.724 1.042 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.510 1.526 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.093 1.102 -0.077 1.00 0.00 H new ATOM 61 N ARG A 59 -3.745 4.852 -3.071 1.00 0.00 N ATOM 62 CA ARG A 59 -2.934 4.730 -4.241 1.00 0.00 C ATOM 63 C ARG A 59 -1.692 4.024 -3.845 1.00 0.00 C ATOM 64 O ARG A 59 -1.380 3.941 -2.667 1.00 0.00 O ATOM 65 CB ARG A 59 -2.551 6.089 -4.803 1.00 0.00 C ATOM 66 CG ARG A 59 -3.751 6.876 -5.326 1.00 0.00 C ATOM 67 CD ARG A 59 -4.357 7.835 -4.294 1.00 0.00 C ATOM 68 NE ARG A 59 -5.816 7.527 -4.189 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.584 8.159 -3.261 1.00 0.00 C ATOM 70 NH1 ARG A 59 -6.021 8.901 -2.290 1.00 0.00 N ATOM 71 NH2 ARG A 59 -7.919 7.942 -3.224 1.00 0.00 N ATOM 0 H ARG A 59 -3.373 5.459 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.492 4.192 -5.007 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.052 6.670 -4.027 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.832 5.953 -5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.446 7.446 -6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.519 6.175 -5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.870 7.713 -3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.206 8.870 -4.599 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.237 6.841 -4.815 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.006 8.995 -2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.609 9.370 -1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.351 7.304 -3.892 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.494 8.417 -2.528 1.00 0.00 H new ATOM 85 N VAL A 60 -0.949 3.525 -4.848 1.00 0.00 N ATOM 86 CA VAL A 60 0.264 2.813 -4.573 1.00 0.00 C ATOM 87 C VAL A 60 1.261 3.225 -5.605 1.00 0.00 C ATOM 88 O VAL A 60 1.044 3.048 -6.801 1.00 0.00 O ATOM 89 CB VAL A 60 0.122 1.284 -4.618 1.00 0.00 C ATOM 90 CG1 VAL A 60 1.296 0.546 -3.964 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.191 0.777 -4.002 1.00 0.00 C ATOM 0 H VAL A 60 -1.182 3.611 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 60 0.566 3.061 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 60 0.118 1.055 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.132 -0.530 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.221 0.805 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.371 0.838 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.227 -0.310 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.243 1.081 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.035 1.201 -4.546 1.00 0.00 H new ATOM 101 N PHE A 61 2.400 3.773 -5.144 1.00 0.00 N ATOM 102 CA PHE A 61 3.449 4.169 -6.039 1.00 0.00 C ATOM 103 C PHE A 61 4.357 2.987 -6.190 1.00 0.00 C ATOM 104 O PHE A 61 4.551 2.222 -5.243 1.00 0.00 O ATOM 105 CB PHE A 61 4.260 5.343 -5.475 1.00 0.00 C ATOM 106 CG PHE A 61 3.516 6.602 -5.780 1.00 0.00 C ATOM 107 CD1 PHE A 61 2.285 6.870 -5.174 1.00 0.00 C ATOM 108 CD2 PHE A 61 4.036 7.552 -6.644 1.00 0.00 C ATOM 109 CE1 PHE A 61 1.627 8.063 -5.393 1.00 0.00 C ATOM 110 CE2 PHE A 61 3.383 8.759 -6.846 1.00 0.00 C ATOM 111 CZ PHE A 61 2.186 9.020 -6.211 1.00 0.00 C ATOM 0 H PHE A 61 2.596 3.942 -4.157 1.00 0.00 H new ATOM 0 HA PHE A 61 3.019 4.489 -6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.396 5.231 -4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.254 5.369 -5.921 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.841 6.131 -4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.960 7.351 -7.166 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.672 8.247 -4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.814 9.499 -7.504 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.690 9.969 -6.354 1.00 0.00 H new ATOM 121 N LEU A 62 4.939 2.786 -7.397 1.00 0.00 N ATOM 122 CA LEU A 62 5.653 1.562 -7.633 1.00 0.00 C ATOM 123 C LEU A 62 7.114 1.796 -7.334 1.00 0.00 C ATOM 124 O LEU A 62 7.910 1.966 -8.258 1.00 0.00 O ATOM 125 CB LEU A 62 5.525 0.947 -9.029 1.00 0.00 C ATOM 126 CG LEU A 62 4.221 0.170 -9.244 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.305 -1.293 -8.796 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.003 0.824 -8.586 1.00 0.00 C ATOM 0 H LEU A 62 4.917 3.442 -8.178 1.00 0.00 H new ATOM 0 HA LEU A 62 5.186 0.833 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.591 1.741 -9.773 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.368 0.278 -9.200 1.00 0.00 H new ATOM 0 HG LEU A 62 4.083 0.196 -10.325 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.349 -1.784 -8.976 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.086 -1.802 -9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.540 -1.335 -7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.117 0.220 -8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.165 0.896 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.859 1.822 -8.999 1.00 0.00 H new ATOM 140 N PRO A 63 7.402 1.607 -6.043 1.00 0.00 N ATOM 141 CA PRO A 63 8.750 1.980 -5.607 1.00 0.00 C ATOM 142 C PRO A 63 9.187 3.228 -6.350 1.00 0.00 C ATOM 143 O PRO A 63 10.222 3.219 -7.015 1.00 0.00 O ATOM 144 CB PRO A 63 9.598 0.771 -5.853 1.00 0.00 C ATOM 145 CG PRO A 63 8.654 -0.406 -5.659 1.00 0.00 C ATOM 146 CD PRO A 63 7.248 0.153 -5.906 1.00 0.00 C ATOM 0 HA PRO A 63 8.823 2.245 -4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.019 0.780 -6.858 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.436 0.726 -5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.884 -1.213 -6.355 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.742 -0.818 -4.654 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.810 -0.278 -6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.581 -0.091 -5.079 1.00 0.00 H new ATOM 154 N ASN A 64 8.445 4.343 -6.167 1.00 0.00 N ATOM 155 CA ASN A 64 8.911 5.638 -6.593 1.00 0.00 C ATOM 156 C ASN A 64 8.554 5.831 -8.043 1.00 0.00 C ATOM 157 O ASN A 64 8.435 6.961 -8.510 1.00 0.00 O ATOM 158 CB ASN A 64 10.413 5.950 -6.409 1.00 0.00 C ATOM 159 CG ASN A 64 10.765 5.793 -4.935 1.00 0.00 C ATOM 160 OD1 ASN A 64 10.367 6.600 -4.094 1.00 0.00 O ATOM 161 ND2 ASN A 64 11.531 4.720 -4.604 1.00 0.00 N ATOM 0 H ASN A 64 7.525 4.350 -5.726 1.00 0.00 H new ATOM 0 HA ASN A 64 8.407 6.334 -5.922 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.017 5.275 -7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.633 6.964 -6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.795 4.562 -3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.842 4.073 -5.328 1.00 0.00 H new ATOM 168 N LYS A 65 8.403 4.727 -8.803 1.00 0.00 N ATOM 169 CA LYS A 65 8.257 4.844 -10.225 1.00 0.00 C ATOM 170 C LYS A 65 6.817 5.128 -10.524 1.00 0.00 C ATOM 171 O LYS A 65 6.444 6.269 -10.792 1.00 0.00 O ATOM 172 CB LYS A 65 8.696 3.597 -11.007 1.00 0.00 C ATOM 173 CG LYS A 65 10.217 3.416 -11.063 1.00 0.00 C ATOM 174 CD LYS A 65 10.743 2.353 -10.095 1.00 0.00 C ATOM 175 CE LYS A 65 12.158 2.638 -9.586 1.00 0.00 C ATOM 176 NZ LYS A 65 12.381 1.946 -8.321 1.00 0.00 N ATOM 0 H LYS A 65 8.382 3.773 -8.443 1.00 0.00 H new ATOM 0 HA LYS A 65 8.915 5.651 -10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.249 2.714 -10.549 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.308 3.660 -12.024 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.505 3.145 -12.079 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.697 4.369 -10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.066 2.282 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.733 1.383 -10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.891 2.311 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.296 3.711 -9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.338 2.158 -7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.680 2.265 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.284 0.921 -8.465 1.00 0.00 H new ATOM 190 N GLN A 66 5.975 4.076 -10.534 1.00 0.00 N ATOM 191 CA GLN A 66 4.658 4.216 -11.077 1.00 0.00 C ATOM 192 C GLN A 66 3.725 4.584 -9.981 1.00 0.00 C ATOM 193 O GLN A 66 4.137 4.844 -8.856 1.00 0.00 O ATOM 194 CB GLN A 66 4.134 2.941 -11.753 1.00 0.00 C ATOM 195 CG GLN A 66 4.365 2.914 -13.263 1.00 0.00 C ATOM 196 CD GLN A 66 3.261 3.724 -13.932 1.00 0.00 C ATOM 197 OE1 GLN A 66 3.427 4.912 -14.217 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.097 3.075 -14.196 1.00 0.00 N ATOM 0 H GLN A 66 6.199 3.148 -10.174 1.00 0.00 H new ATOM 0 HA GLN A 66 4.714 4.988 -11.845 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.620 2.075 -11.303 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.066 2.846 -11.555 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.342 3.332 -13.505 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.358 1.888 -13.630 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.994 2.091 -13.947 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.326 3.571 -14.644 1.00 0.00 H new ATOM 207 N ARG A 67 2.437 4.695 -10.350 1.00 0.00 N ATOM 208 CA ARG A 67 1.404 4.930 -9.393 1.00 0.00 C ATOM 209 C ARG A 67 0.198 4.192 -9.875 1.00 0.00 C ATOM 210 O ARG A 67 0.112 3.818 -11.044 1.00 0.00 O ATOM 211 CB ARG A 67 1.046 6.405 -9.210 1.00 0.00 C ATOM 212 CG ARG A 67 0.824 7.158 -10.525 1.00 0.00 C ATOM 213 CD ARG A 67 2.007 8.043 -10.926 1.00 0.00 C ATOM 214 NE ARG A 67 2.715 7.364 -12.051 1.00 0.00 N ATOM 215 CZ ARG A 67 3.933 7.805 -12.470 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.577 8.786 -11.809 1.00 0.00 N ATOM 217 NH2 ARG A 67 4.533 7.215 -13.527 1.00 0.00 N ATOM 0 H ARG A 67 2.111 4.622 -11.314 1.00 0.00 H new ATOM 0 HA ARG A 67 1.758 4.589 -8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.142 6.477 -8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.843 6.896 -8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.633 6.437 -11.320 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.069 7.777 -10.435 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.661 9.030 -11.231 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.680 8.188 -10.081 1.00 0.00 H new ATOM 0 HE ARG A 67 2.282 6.562 -12.510 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.153 9.208 -10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.489 9.107 -12.134 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.073 6.442 -14.008 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.446 7.543 -13.844 1.00 0.00 H new ATOM 231 N THR A 68 -0.760 3.959 -8.964 1.00 0.00 N ATOM 232 CA THR A 68 -1.944 3.233 -9.317 1.00 0.00 C ATOM 233 C THR A 68 -2.891 3.383 -8.170 1.00 0.00 C ATOM 234 O THR A 68 -2.518 3.916 -7.128 1.00 0.00 O ATOM 235 CB THR A 68 -1.695 1.741 -9.606 1.00 0.00 C ATOM 236 OG1 THR A 68 -2.846 1.150 -10.191 1.00 0.00 O ATOM 237 CG2 THR A 68 -1.251 0.925 -8.384 1.00 0.00 C ATOM 0 H THR A 68 -0.720 4.268 -7.993 1.00 0.00 H new ATOM 0 HA THR A 68 -2.343 3.640 -10.246 1.00 0.00 H new ATOM 0 HB THR A 68 -0.859 1.715 -10.305 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.165 0.420 -9.620 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.098 -0.114 -8.676 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.319 1.333 -7.993 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.020 0.976 -7.614 1.00 0.00 H new ATOM 245 N VAL A 69 -4.145 2.927 -8.351 1.00 0.00 N ATOM 246 CA VAL A 69 -5.118 3.046 -7.305 1.00 0.00 C ATOM 247 C VAL A 69 -5.599 1.670 -6.989 1.00 0.00 C ATOM 248 O VAL A 69 -5.665 0.801 -7.857 1.00 0.00 O ATOM 249 CB VAL A 69 -6.312 3.942 -7.663 1.00 0.00 C ATOM 250 CG1 VAL A 69 -6.912 3.646 -9.044 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.402 4.003 -6.574 1.00 0.00 C ATOM 0 H VAL A 69 -4.482 2.483 -9.205 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.639 3.526 -6.451 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.878 4.941 -7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.751 4.317 -9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.152 3.796 -9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.260 2.614 -9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.210 4.656 -6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.795 3.002 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.973 4.394 -5.651 1.00 0.00 H new ATOM 261 N VAL A 70 -5.953 1.455 -5.709 1.00 0.00 N ATOM 262 CA VAL A 70 -6.419 0.172 -5.281 1.00 0.00 C ATOM 263 C VAL A 70 -7.654 0.400 -4.468 1.00 0.00 C ATOM 264 O VAL A 70 -7.885 1.497 -3.958 1.00 0.00 O ATOM 265 CB VAL A 70 -5.389 -0.595 -4.439 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.128 -0.962 -5.223 1.00 0.00 C ATOM 267 CG2 VAL A 70 -4.950 0.143 -3.164 1.00 0.00 C ATOM 0 H VAL A 70 -5.917 2.163 -4.976 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.609 -0.440 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.926 -1.500 -4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.440 -1.502 -4.573 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.397 -1.593 -6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.647 -0.053 -5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.222 -0.464 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.498 1.098 -3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.818 0.319 -2.528 1.00 0.00 H new ATOM 277 N ASN A 71 -8.476 -0.658 -4.325 1.00 0.00 N ATOM 278 CA ASN A 71 -9.699 -0.542 -3.586 1.00 0.00 C ATOM 279 C ASN A 71 -9.581 -1.455 -2.407 1.00 0.00 C ATOM 280 O ASN A 71 -8.816 -2.420 -2.430 1.00 0.00 O ATOM 281 CB ASN A 71 -10.931 -0.982 -4.394 1.00 0.00 C ATOM 282 CG ASN A 71 -11.311 0.148 -5.344 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.266 0.886 -5.099 1.00 0.00 O ATOM 284 ND2 ASN A 71 -10.578 0.264 -6.483 1.00 0.00 N ATOM 0 H ASN A 71 -8.298 -1.583 -4.716 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.839 0.505 -3.315 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.712 -1.891 -4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.761 -1.211 -3.726 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.812 0.981 -7.170 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.794 -0.366 -6.651 1.00 0.00 H new ATOM 291 N VAL A 72 -10.377 -1.183 -1.355 1.00 0.00 N ATOM 292 CA VAL A 72 -10.301 -1.973 -0.163 1.00 0.00 C ATOM 293 C VAL A 72 -11.685 -2.460 0.131 1.00 0.00 C ATOM 294 O VAL A 72 -12.672 -1.780 -0.141 1.00 0.00 O ATOM 295 CB VAL A 72 -9.791 -1.174 1.045 1.00 0.00 C ATOM 296 CG1 VAL A 72 -9.500 -2.038 2.278 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.511 -0.385 0.745 1.00 0.00 C ATOM 0 H VAL A 72 -11.063 -0.428 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.596 -2.788 -0.328 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.617 -0.495 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.144 -1.404 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.412 -2.548 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.737 -2.777 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.201 0.158 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.721 -1.074 0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.700 0.322 -0.063 1.00 0.00 H new ATOM 369 N SER A 77 -6.761 -6.278 3.895 1.00 0.00 N ATOM 370 CA SER A 77 -5.524 -5.888 4.499 1.00 0.00 C ATOM 371 C SER A 77 -4.584 -5.645 3.407 1.00 0.00 C ATOM 372 O SER A 77 -4.721 -6.319 2.411 1.00 0.00 O ATOM 373 CB SER A 77 -4.840 -7.043 5.220 1.00 0.00 C ATOM 374 OG SER A 77 -5.037 -6.935 6.623 1.00 0.00 O ATOM 0 HA SER A 77 -5.743 -5.056 5.169 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.240 -7.992 4.862 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.774 -7.041 4.994 1.00 0.00 H new ATOM 0 HG SER A 77 -5.046 -7.830 7.022 1.00 0.00 H new ATOM 380 N LEU A 78 -3.439 -5.048 3.788 1.00 0.00 N ATOM 381 CA LEU A 78 -2.345 -4.780 2.901 1.00 0.00 C ATOM 382 C LEU A 78 -2.049 -6.010 2.078 1.00 0.00 C ATOM 383 O LEU A 78 -2.032 -5.964 0.866 1.00 0.00 O ATOM 384 CB LEU A 78 -1.117 -4.468 3.751 1.00 0.00 C ATOM 385 CG LEU A 78 -0.856 -2.977 3.937 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.393 -2.285 2.707 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.104 -2.138 4.139 1.00 0.00 C ATOM 0 H LEU A 78 -3.268 -4.741 4.746 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.593 -3.947 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.238 -4.930 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.242 -4.925 3.289 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.158 -3.019 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.230 -1.229 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.540 -2.734 2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.149 -2.383 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.823 -1.092 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.755 -2.239 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.632 -2.480 5.029 1.00 0.00 H new ATOM 399 N HIS A 79 -1.794 -7.159 2.729 1.00 0.00 N ATOM 400 CA HIS A 79 -1.237 -8.291 2.032 1.00 0.00 C ATOM 401 C HIS A 79 -2.339 -8.998 1.274 1.00 0.00 C ATOM 402 O HIS A 79 -2.095 -9.999 0.612 1.00 0.00 O ATOM 403 CB HIS A 79 -0.627 -9.331 2.989 1.00 0.00 C ATOM 404 CG HIS A 79 0.841 -9.568 2.772 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.465 -9.335 1.575 1.00 0.00 N ATOM 406 CD2 HIS A 79 1.782 -10.027 3.621 1.00 0.00 C ATOM 407 CE1 HIS A 79 2.759 -9.582 1.726 1.00 0.00 C ATOM 408 NE2 HIS A 79 2.971 -10.042 2.946 1.00 0.00 N ATOM 0 H HIS A 79 -1.968 -7.310 3.723 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.457 -7.903 1.376 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.784 -9.002 4.016 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.159 -10.275 2.872 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.625 -10.328 4.646 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.518 -9.431 0.972 1.00 0.00 H new ATOM 0 HE2 HIS A 79 3.867 -10.354 3.320 1.00 0.00 H new ATOM 417 N ASP A 80 -3.601 -8.562 1.435 1.00 0.00 N ATOM 418 CA ASP A 80 -4.677 -9.138 0.677 1.00 0.00 C ATOM 419 C ASP A 80 -5.200 -8.062 -0.228 1.00 0.00 C ATOM 420 O ASP A 80 -6.015 -8.314 -1.111 1.00 0.00 O ATOM 421 CB ASP A 80 -5.832 -9.585 1.578 1.00 0.00 C ATOM 422 CG ASP A 80 -5.300 -10.635 2.544 1.00 0.00 C ATOM 423 OD1 ASP A 80 -5.328 -11.838 2.178 1.00 0.00 O ATOM 424 OD2 ASP A 80 -4.869 -10.242 3.660 1.00 0.00 O ATOM 0 H ASP A 80 -3.878 -7.822 2.079 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.304 -10.008 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.238 -8.735 2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.645 -9.996 0.979 1.00 0.00 H new ATOM 429 N CYS A 81 -4.694 -6.837 -0.016 1.00 0.00 N ATOM 430 CA CYS A 81 -5.195 -5.673 -0.681 1.00 0.00 C ATOM 431 C CYS A 81 -4.209 -5.335 -1.756 1.00 0.00 C ATOM 432 O CYS A 81 -4.563 -4.959 -2.871 1.00 0.00 O ATOM 433 CB CYS A 81 -5.193 -4.551 0.379 1.00 0.00 C ATOM 434 SG CYS A 81 -5.604 -2.942 -0.381 1.00 0.00 S ATOM 0 H CYS A 81 -3.925 -6.649 0.627 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.189 -5.810 -1.108 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.914 -4.783 1.163 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.214 -4.495 0.854 1.00 0.00 H new ATOM 0 HG CYS A 81 -5.393 -1.990 0.478 1.00 0.00 H new ATOM 440 N LEU A 82 -2.928 -5.526 -1.425 1.00 0.00 N ATOM 441 CA LEU A 82 -1.846 -5.145 -2.285 1.00 0.00 C ATOM 442 C LEU A 82 -1.527 -6.315 -3.118 1.00 0.00 C ATOM 443 O LEU A 82 -1.218 -6.188 -4.290 1.00 0.00 O ATOM 444 CB LEU A 82 -0.593 -4.922 -1.450 1.00 0.00 C ATOM 445 CG LEU A 82 -0.610 -3.622 -0.655 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.384 -2.585 -1.180 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.988 -2.950 -0.601 1.00 0.00 C ATOM 0 H LEU A 82 -2.630 -5.952 -0.547 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.123 -4.256 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.473 -5.758 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.276 -4.924 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.323 -3.940 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.323 -1.682 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.394 -2.991 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.144 -2.342 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.922 -2.031 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.318 -2.715 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.704 -3.625 -0.133 1.00 0.00 H new ATOM 459 N MET A 83 -1.568 -7.492 -2.483 1.00 0.00 N ATOM 460 CA MET A 83 -1.335 -8.731 -3.158 1.00 0.00 C ATOM 461 C MET A 83 -2.370 -8.872 -4.224 1.00 0.00 C ATOM 462 O MET A 83 -2.167 -9.633 -5.149 1.00 0.00 O ATOM 463 CB MET A 83 -1.579 -9.799 -2.101 1.00 0.00 C ATOM 464 CG MET A 83 -1.750 -11.212 -2.647 1.00 0.00 C ATOM 465 SD MET A 83 -0.116 -11.941 -2.989 1.00 0.00 S ATOM 466 CE MET A 83 0.419 -12.300 -1.286 1.00 0.00 C ATOM 0 H MET A 83 -1.765 -7.590 -1.487 1.00 0.00 H new ATOM 0 HA MET A 83 -0.341 -8.800 -3.600 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.744 -9.794 -1.400 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.472 -9.533 -1.535 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.290 -11.827 -1.927 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.347 -11.190 -3.559 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.234 -13.024 -1.306 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.761 -11.381 -0.811 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.418 -12.711 -0.721 1.00 0.00 H new ATOM 476 N LYS A 84 -3.474 -8.120 -4.081 1.00 0.00 N ATOM 477 CA LYS A 84 -4.497 -8.095 -5.071 1.00 0.00 C ATOM 478 C LYS A 84 -4.097 -7.106 -6.142 1.00 0.00 C ATOM 479 O LYS A 84 -4.314 -7.345 -7.327 1.00 0.00 O ATOM 480 CB LYS A 84 -5.742 -7.690 -4.323 1.00 0.00 C ATOM 481 CG LYS A 84 -6.495 -6.511 -4.913 1.00 0.00 C ATOM 482 CD LYS A 84 -7.456 -5.923 -3.900 1.00 0.00 C ATOM 483 CE LYS A 84 -8.744 -5.382 -4.521 1.00 0.00 C ATOM 484 NZ LYS A 84 -9.608 -4.836 -3.478 1.00 0.00 N ATOM 0 H LYS A 84 -3.657 -7.526 -3.272 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.662 -9.046 -5.578 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.415 -8.546 -4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.467 -7.448 -3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.788 -5.747 -5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.044 -6.831 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.710 -6.688 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.956 -5.118 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.508 -4.609 -5.252 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.263 -6.178 -5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.599 -4.879 -3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.495 -5.393 -2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -9.346 -3.847 -3.293 1.00 0.00 H new ATOM 498 N ALA A 85 -3.474 -5.975 -5.740 1.00 0.00 N ATOM 499 CA ALA A 85 -3.106 -4.956 -6.694 1.00 0.00 C ATOM 500 C ALA A 85 -1.970 -5.470 -7.520 1.00 0.00 C ATOM 501 O ALA A 85 -1.973 -5.329 -8.732 1.00 0.00 O ATOM 502 CB ALA A 85 -2.547 -3.794 -5.847 1.00 0.00 C ATOM 0 H ALA A 85 -3.227 -5.765 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.944 -4.670 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.245 -2.978 -6.503 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.317 -3.441 -5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.684 -4.141 -5.278 1.00 0.00 H new ATOM 508 N LEU A 86 -0.965 -6.051 -6.849 1.00 0.00 N ATOM 509 CA LEU A 86 0.276 -6.392 -7.482 1.00 0.00 C ATOM 510 C LEU A 86 0.098 -7.713 -8.099 1.00 0.00 C ATOM 511 O LEU A 86 0.889 -8.121 -8.928 1.00 0.00 O ATOM 512 CB LEU A 86 1.307 -6.563 -6.389 1.00 0.00 C ATOM 513 CG LEU A 86 1.433 -5.309 -5.531 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.621 -5.593 -4.073 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.246 -4.205 -6.190 1.00 0.00 C ATOM 0 H LEU A 86 -1.008 -6.289 -5.858 1.00 0.00 H new ATOM 0 HA LEU A 86 0.573 -5.636 -8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.032 -7.409 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.274 -6.798 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 86 0.457 -4.825 -5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.703 -4.653 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.766 -6.157 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.531 -6.176 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.295 -3.343 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.255 -4.566 -6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.772 -3.914 -7.127 1.00 0.00 H new ATOM 527 N LYS A 87 -0.927 -8.431 -7.630 1.00 0.00 N ATOM 528 CA LYS A 87 -1.330 -9.661 -8.260 1.00 0.00 C ATOM 529 C LYS A 87 -1.628 -9.357 -9.701 1.00 0.00 C ATOM 530 O LYS A 87 -1.192 -10.072 -10.601 1.00 0.00 O ATOM 531 CB LYS A 87 -2.670 -10.144 -7.701 1.00 0.00 C ATOM 532 CG LYS A 87 -2.665 -11.604 -7.269 1.00 0.00 C ATOM 533 CD LYS A 87 -3.373 -12.525 -8.266 1.00 0.00 C ATOM 534 CE LYS A 87 -3.319 -14.005 -7.880 1.00 0.00 C ATOM 535 NZ LYS A 87 -4.124 -14.241 -6.684 1.00 0.00 N ATOM 0 H LYS A 87 -1.483 -8.170 -6.816 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.541 -10.397 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.942 -9.523 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.441 -10.001 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.635 -11.937 -7.144 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.148 -11.691 -6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.416 -12.219 -8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.920 -12.398 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.688 -14.617 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.287 -14.304 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.164 -15.262 -6.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.695 -13.750 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.087 -13.880 -6.837 1.00 0.00 H new ATOM 549 N VAL A 88 -2.404 -8.276 -9.897 1.00 0.00 N ATOM 550 CA VAL A 88 -2.851 -7.857 -11.198 1.00 0.00 C ATOM 551 C VAL A 88 -1.637 -7.530 -12.031 1.00 0.00 C ATOM 552 O VAL A 88 -1.636 -7.706 -13.248 1.00 0.00 O ATOM 553 CB VAL A 88 -3.677 -6.570 -11.037 1.00 0.00 C ATOM 554 CG1 VAL A 88 -4.042 -5.877 -12.350 1.00 0.00 C ATOM 555 CG2 VAL A 88 -4.905 -6.736 -10.140 1.00 0.00 C ATOM 0 H VAL A 88 -2.730 -7.677 -9.138 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.446 -8.640 -11.668 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.989 -5.899 -10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.624 -4.980 -12.138 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.131 -5.602 -12.882 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.632 -6.555 -12.967 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.438 -5.787 -10.073 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.565 -7.494 -10.563 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.589 -7.045 -9.144 1.00 0.00 H new ATOM 565 N ARG A 89 -0.571 -7.044 -11.371 1.00 0.00 N ATOM 566 CA ARG A 89 0.562 -6.519 -12.073 1.00 0.00 C ATOM 567 C ARG A 89 1.544 -7.637 -12.265 1.00 0.00 C ATOM 568 O ARG A 89 2.287 -7.665 -13.244 1.00 0.00 O ATOM 569 CB ARG A 89 1.172 -5.413 -11.215 1.00 0.00 C ATOM 570 CG ARG A 89 0.111 -4.454 -10.668 1.00 0.00 C ATOM 571 CD ARG A 89 0.555 -2.991 -10.628 1.00 0.00 C ATOM 572 NE ARG A 89 -0.462 -2.187 -11.372 1.00 0.00 N ATOM 573 CZ ARG A 89 -1.724 -2.027 -10.882 1.00 0.00 C ATOM 574 NH1 ARG A 89 -2.077 -2.543 -9.689 1.00 0.00 N ATOM 575 NH2 ARG A 89 -2.640 -1.327 -11.589 1.00 0.00 N ATOM 0 H ARG A 89 -0.492 -7.014 -10.355 1.00 0.00 H new ATOM 0 HA ARG A 89 0.285 -6.111 -13.045 1.00 0.00 H new ATOM 0 HB2 ARG A 89 1.719 -5.860 -10.384 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.895 -4.853 -11.808 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.787 -4.534 -11.281 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.162 -4.768 -9.661 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.638 -2.644 -9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.539 -2.877 -11.082 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.208 -1.752 -12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.395 -3.063 -9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.026 -2.413 -9.338 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.387 -0.919 -12.489 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.584 -1.207 -11.222 1.00 0.00 H new ATOM 589 N GLY A 90 1.569 -8.578 -11.306 1.00 0.00 N ATOM 590 CA GLY A 90 2.419 -9.732 -11.409 1.00 0.00 C ATOM 591 C GLY A 90 3.611 -9.495 -10.535 1.00 0.00 C ATOM 592 O GLY A 90 4.704 -9.985 -10.816 1.00 0.00 O ATOM 0 H GLY A 90 1.003 -8.544 -10.458 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.886 -10.629 -11.095 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.727 -9.890 -12.443 1.00 0.00 H new ATOM 596 N LEU A 91 3.416 -8.759 -9.422 1.00 0.00 N ATOM 597 CA LEU A 91 4.522 -8.373 -8.597 1.00 0.00 C ATOM 598 C LEU A 91 4.373 -9.069 -7.278 1.00 0.00 C ATOM 599 O LEU A 91 3.296 -9.543 -6.921 1.00 0.00 O ATOM 600 CB LEU A 91 4.562 -6.862 -8.321 1.00 0.00 C ATOM 601 CG LEU A 91 4.960 -6.017 -9.536 1.00 0.00 C ATOM 602 CD1 LEU A 91 5.702 -4.732 -9.152 1.00 0.00 C ATOM 603 CD2 LEU A 91 5.769 -6.793 -10.578 1.00 0.00 C ATOM 0 H LEU A 91 2.505 -8.435 -9.097 1.00 0.00 H new ATOM 0 HA LEU A 91 5.438 -8.644 -9.122 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.580 -6.540 -7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.266 -6.669 -7.511 1.00 0.00 H new ATOM 0 HG LEU A 91 4.010 -5.739 -9.993 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.958 -4.176 -10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.063 -4.119 -8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.614 -4.986 -8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.017 -6.134 -11.410 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.687 -7.164 -10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.180 -7.634 -10.944 1.00 0.00 H new ATOM 615 N GLN A 92 5.469 -9.077 -6.493 1.00 0.00 N ATOM 616 CA GLN A 92 5.479 -9.764 -5.235 1.00 0.00 C ATOM 617 C GLN A 92 5.330 -8.724 -4.153 1.00 0.00 C ATOM 618 O GLN A 92 5.845 -7.611 -4.262 1.00 0.00 O ATOM 619 CB GLN A 92 6.803 -10.507 -5.007 1.00 0.00 C ATOM 620 CG GLN A 92 7.325 -11.231 -6.258 1.00 0.00 C ATOM 621 CD GLN A 92 8.176 -10.254 -7.068 1.00 0.00 C ATOM 622 OE1 GLN A 92 8.230 -9.058 -6.778 1.00 0.00 O ATOM 623 NE2 GLN A 92 8.849 -10.743 -8.154 1.00 0.00 N ATOM 0 H GLN A 92 6.345 -8.610 -6.728 1.00 0.00 H new ATOM 0 HA GLN A 92 4.671 -10.495 -5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.556 -9.795 -4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.669 -11.234 -4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.917 -12.101 -5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.492 -11.595 -6.859 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.796 -11.736 -8.383 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.404 -10.115 -8.735 1.00 0.00 H new ATOM 632 N PRO A 93 4.694 -9.164 -3.075 1.00 0.00 N ATOM 633 CA PRO A 93 4.544 -8.113 -2.088 1.00 0.00 C ATOM 634 C PRO A 93 5.381 -8.561 -0.917 1.00 0.00 C ATOM 635 O PRO A 93 5.829 -7.744 -0.117 1.00 0.00 O ATOM 636 CB PRO A 93 3.094 -8.177 -1.656 1.00 0.00 C ATOM 637 CG PRO A 93 2.609 -9.568 -2.036 1.00 0.00 C ATOM 638 CD PRO A 93 3.504 -9.996 -3.190 1.00 0.00 C ATOM 0 HA PRO A 93 4.822 -7.121 -2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.998 -8.009 -0.583 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.504 -7.408 -2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.691 -10.258 -1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.561 -9.553 -2.334 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.755 -11.055 -3.123 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.009 -9.846 -4.150 1.00 0.00 H new ATOM 646 N GLU A 94 5.629 -9.883 -0.778 1.00 0.00 N ATOM 647 CA GLU A 94 6.122 -10.410 0.467 1.00 0.00 C ATOM 648 C GLU A 94 7.571 -10.035 0.610 1.00 0.00 C ATOM 649 O GLU A 94 8.129 -10.090 1.704 1.00 0.00 O ATOM 650 CB GLU A 94 6.024 -11.940 0.577 1.00 0.00 C ATOM 651 CG GLU A 94 4.635 -12.497 0.231 1.00 0.00 C ATOM 652 CD GLU A 94 4.653 -12.968 -1.219 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.259 -12.257 -2.066 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.030 -14.024 -1.501 1.00 0.00 O ATOM 0 H GLU A 94 5.491 -10.577 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 94 5.496 -9.984 1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.762 -12.391 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.283 -12.240 1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.382 -13.323 0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.873 -11.730 0.371 1.00 0.00 H new ATOM 661 N CYS A 95 8.213 -9.626 -0.500 1.00 0.00 N ATOM 662 CA CYS A 95 9.616 -9.333 -0.460 1.00 0.00 C ATOM 663 C CYS A 95 9.769 -7.842 -0.412 1.00 0.00 C ATOM 664 O CYS A 95 10.854 -7.308 -0.642 1.00 0.00 O ATOM 665 CB CYS A 95 10.337 -9.825 -1.720 1.00 0.00 C ATOM 666 SG CYS A 95 10.346 -11.646 -1.747 1.00 0.00 S ATOM 0 H CYS A 95 7.772 -9.499 -1.411 1.00 0.00 H new ATOM 0 HA CYS A 95 10.047 -9.831 0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.839 -9.441 -2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.359 -9.446 -1.738 1.00 0.00 H new ATOM 0 HG CYS A 95 10.956 -12.061 -2.817 1.00 0.00 H new ATOM 672 N CYS A 96 8.679 -7.125 -0.083 1.00 0.00 N ATOM 673 CA CYS A 96 8.701 -5.696 -0.182 1.00 0.00 C ATOM 674 C CYS A 96 8.186 -5.137 1.112 1.00 0.00 C ATOM 675 O CYS A 96 7.656 -5.860 1.957 1.00 0.00 O ATOM 676 CB CYS A 96 7.779 -5.198 -1.298 1.00 0.00 C ATOM 677 SG CYS A 96 8.426 -5.733 -2.916 1.00 0.00 S ATOM 0 H CYS A 96 7.799 -7.523 0.245 1.00 0.00 H new ATOM 0 HA CYS A 96 9.721 -5.378 -0.397 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.772 -5.588 -1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.708 -4.111 -1.266 1.00 0.00 H new ATOM 0 HG CYS A 96 7.533 -6.458 -3.522 1.00 0.00 H new ATOM 683 N ALA A 97 8.321 -3.804 1.262 1.00 0.00 N ATOM 684 CA ALA A 97 7.773 -3.113 2.389 1.00 0.00 C ATOM 685 C ALA A 97 6.845 -2.080 1.842 1.00 0.00 C ATOM 686 O ALA A 97 7.155 -1.412 0.858 1.00 0.00 O ATOM 687 CB ALA A 97 8.844 -2.372 3.212 1.00 0.00 C ATOM 0 H ALA A 97 8.812 -3.204 0.599 1.00 0.00 H new ATOM 0 HA ALA A 97 7.292 -3.841 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.371 -1.866 4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.577 -3.088 3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.343 -1.637 2.581 1.00 0.00 H new ATOM 693 N VAL A 98 5.671 -1.936 2.477 1.00 0.00 N ATOM 694 CA VAL A 98 4.732 -0.927 2.074 1.00 0.00 C ATOM 695 C VAL A 98 4.947 0.251 2.955 1.00 0.00 C ATOM 696 O VAL A 98 5.590 0.162 4.002 1.00 0.00 O ATOM 697 CB VAL A 98 3.253 -1.311 2.255 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.413 -1.158 0.984 1.00 0.00 C ATOM 699 CG2 VAL A 98 3.061 -2.641 2.954 1.00 0.00 C ATOM 0 H VAL A 98 5.369 -2.511 3.264 1.00 0.00 H new ATOM 0 HA VAL A 98 4.906 -0.756 1.012 1.00 0.00 H new ATOM 0 HB VAL A 98 2.850 -0.566 2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.383 -1.448 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.439 -0.120 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.819 -1.798 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.996 -2.851 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.536 -3.430 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.513 -2.600 3.945 1.00 0.00 H new ATOM 709 N PHE A 99 4.281 1.362 2.604 1.00 0.00 N ATOM 710 CA PHE A 99 4.403 2.563 3.363 1.00 0.00 C ATOM 711 C PHE A 99 3.227 3.408 3.031 1.00 0.00 C ATOM 712 O PHE A 99 2.532 3.170 2.043 1.00 0.00 O ATOM 713 CB PHE A 99 5.581 3.441 2.902 1.00 0.00 C ATOM 714 CG PHE A 99 6.858 2.777 3.284 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.475 1.886 2.419 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.585 3.188 4.414 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.798 1.541 2.588 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.895 2.824 4.588 1.00 0.00 C ATOM 719 CZ PHE A 99 9.521 2.078 3.626 1.00 0.00 C ATOM 0 H PHE A 99 3.660 1.429 1.797 1.00 0.00 H new ATOM 0 HA PHE A 99 4.514 2.269 4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.541 3.588 1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.518 4.428 3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.912 1.457 1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.102 3.802 5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.267 0.848 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.429 3.124 5.477 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.586 1.911 3.683 1.00 0.00 H new ATOM 729 N ARG A 100 3.067 4.477 3.821 1.00 0.00 N ATOM 730 CA ARG A 100 2.171 5.524 3.486 1.00 0.00 C ATOM 731 C ARG A 100 3.038 6.726 3.281 1.00 0.00 C ATOM 732 O ARG A 100 4.069 6.877 3.942 1.00 0.00 O ATOM 733 CB ARG A 100 1.242 5.681 4.669 1.00 0.00 C ATOM 734 CG ARG A 100 0.727 7.092 4.900 1.00 0.00 C ATOM 735 CD ARG A 100 -0.301 7.131 6.028 1.00 0.00 C ATOM 736 NE ARG A 100 -1.111 8.379 5.900 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.594 9.594 6.234 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.698 9.731 6.583 1.00 0.00 N ATOM 739 NH2 ARG A 100 -1.399 10.678 6.232 1.00 0.00 N ATOM 0 H ARG A 100 3.565 4.614 4.700 1.00 0.00 H new ATOM 0 HA ARG A 100 1.567 5.353 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.389 5.017 4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.763 5.349 5.567 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.561 7.750 5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.278 7.472 3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.948 6.255 5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.200 7.104 6.996 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.069 8.320 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.311 8.916 6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.065 10.650 6.830 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.383 10.582 5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.023 11.593 6.480 1.00 0.00 H new ATOM 753 N LEU A 101 2.682 7.568 2.298 1.00 0.00 N ATOM 754 CA LEU A 101 3.621 8.514 1.768 1.00 0.00 C ATOM 755 C LEU A 101 3.749 9.651 2.737 1.00 0.00 C ATOM 756 O LEU A 101 3.124 9.684 3.798 1.00 0.00 O ATOM 757 CB LEU A 101 3.172 9.098 0.419 1.00 0.00 C ATOM 758 CG LEU A 101 3.265 8.102 -0.740 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.051 8.749 -2.113 1.00 0.00 C ATOM 760 CD2 LEU A 101 4.580 7.323 -0.759 1.00 0.00 C ATOM 0 H LEU A 101 1.756 7.598 1.871 1.00 0.00 H new ATOM 0 HA LEU A 101 4.565 7.990 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.143 9.445 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.784 9.970 0.188 1.00 0.00 H new ATOM 0 HG LEU A 101 2.448 7.405 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.130 7.988 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.061 9.205 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.809 9.515 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.583 6.634 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.414 8.019 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.683 6.760 0.168 1.00 0.00 H new ATOM 772 N LEU A 102 4.566 10.648 2.349 1.00 0.00 N ATOM 773 CA LEU A 102 4.908 11.717 3.231 1.00 0.00 C ATOM 774 C LEU A 102 3.860 12.779 3.100 1.00 0.00 C ATOM 775 O LEU A 102 4.036 13.782 2.413 1.00 0.00 O ATOM 776 CB LEU A 102 6.298 12.291 2.935 1.00 0.00 C ATOM 777 CG LEU A 102 6.794 12.003 1.515 1.00 0.00 C ATOM 778 CD1 LEU A 102 5.881 12.588 0.438 1.00 0.00 C ATOM 779 CD2 LEU A 102 8.244 12.436 1.285 1.00 0.00 C ATOM 0 H LEU A 102 4.989 10.712 1.423 1.00 0.00 H new ATOM 0 HA LEU A 102 4.945 11.337 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.277 13.370 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.011 11.880 3.650 1.00 0.00 H new ATOM 0 HG LEU A 102 6.761 10.917 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.283 12.352 -0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.883 12.160 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.825 13.670 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.535 12.205 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.335 13.509 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.897 11.903 1.976 1.00 0.00 H new ATOM 791 N HIS A 103 2.745 12.609 3.835 1.00 0.00 N ATOM 792 CA HIS A 103 1.723 13.613 3.850 1.00 0.00 C ATOM 793 C HIS A 103 1.958 14.469 5.061 1.00 0.00 C ATOM 794 O HIS A 103 1.315 15.500 5.243 1.00 0.00 O ATOM 795 CB HIS A 103 0.306 13.020 3.912 1.00 0.00 C ATOM 796 CG HIS A 103 -0.113 12.358 2.632 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.273 11.636 2.525 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.385 12.475 1.377 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.468 11.330 1.253 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.476 11.823 0.536 1.00 0.00 N ATOM 0 H HIS A 103 2.552 11.790 4.411 1.00 0.00 H new ATOM 0 HA HIS A 103 1.780 14.185 2.924 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.258 12.293 4.722 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.403 13.812 4.153 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.292 12.987 1.093 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.304 10.768 0.864 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.369 11.733 -0.474 1.00 0.00 H new ATOM 809 N GLU A 104 2.910 14.054 5.924 1.00 0.00 N ATOM 810 CA GLU A 104 3.213 14.818 7.100 1.00 0.00 C ATOM 811 C GLU A 104 4.681 14.660 7.371 1.00 0.00 C ATOM 812 O GLU A 104 5.127 14.721 8.518 1.00 0.00 O ATOM 813 CB GLU A 104 2.468 14.347 8.363 1.00 0.00 C ATOM 814 CG GLU A 104 0.939 14.347 8.220 1.00 0.00 C ATOM 815 CD GLU A 104 0.508 13.048 7.542 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.327 12.088 7.474 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.653 12.981 7.061 1.00 0.00 O ATOM 0 H GLU A 104 3.462 13.204 5.810 1.00 0.00 H new ATOM 0 HA GLU A 104 2.905 15.845 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.800 13.339 8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.745 14.991 9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.468 14.436 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.615 15.205 7.632 1.00 0.00 H new ATOM 824 N HIS A 105 5.482 14.413 6.315 1.00 0.00 N ATOM 825 CA HIS A 105 6.894 14.245 6.505 1.00 0.00 C ATOM 826 C HIS A 105 7.579 14.959 5.381 1.00 0.00 C ATOM 827 O HIS A 105 6.935 15.393 4.427 1.00 0.00 O ATOM 828 CB HIS A 105 7.370 12.779 6.536 1.00 0.00 C ATOM 829 CG HIS A 105 6.303 11.813 6.965 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.713 11.870 8.198 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.804 10.728 6.339 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.850 10.868 8.296 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.887 10.160 7.178 1.00 0.00 N ATOM 0 H HIS A 105 5.162 14.331 5.350 1.00 0.00 H new ATOM 0 HA HIS A 105 7.142 14.651 7.486 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.725 12.499 5.544 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.219 12.695 7.214 1.00 0.00 H new ATOM 0 HD1 HIS A 105 5.904 12.565 8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.078 10.373 5.356 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.220 10.663 9.149 1.00 0.00 H new ATOM 842 N LYS A 106 8.920 15.076 5.463 1.00 0.00 N ATOM 843 CA LYS A 106 9.640 15.861 4.505 1.00 0.00 C ATOM 844 C LYS A 106 10.231 14.928 3.498 1.00 0.00 C ATOM 845 O LYS A 106 10.215 15.194 2.299 1.00 0.00 O ATOM 846 CB LYS A 106 10.767 16.657 5.175 1.00 0.00 C ATOM 847 CG LYS A 106 11.593 17.507 4.205 1.00 0.00 C ATOM 848 CD LYS A 106 10.763 18.529 3.419 1.00 0.00 C ATOM 849 CE LYS A 106 10.000 19.514 4.309 1.00 0.00 C ATOM 850 NZ LYS A 106 9.267 20.470 3.483 1.00 0.00 N ATOM 0 H LYS A 106 9.497 14.635 6.180 1.00 0.00 H new ATOM 0 HA LYS A 106 8.958 16.571 4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.335 17.308 5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.431 15.963 5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.366 18.034 4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.102 16.848 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.423 19.088 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.052 17.998 2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.308 18.973 4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.696 20.042 4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.752 21.135 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.936 20.997 2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.591 19.960 2.879 1.00 0.00 H new ATOM 864 N GLY A 107 10.787 13.809 3.982 1.00 0.00 N ATOM 865 CA GLY A 107 11.466 12.892 3.111 1.00 0.00 C ATOM 866 C GLY A 107 11.550 11.580 3.818 1.00 0.00 C ATOM 867 O GLY A 107 12.630 11.014 3.962 1.00 0.00 O ATOM 0 H GLY A 107 10.771 13.535 4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.926 12.786 2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.462 13.261 2.868 1.00 0.00 H new ATOM 871 N LYS A 108 10.386 11.054 4.244 1.00 0.00 N ATOM 872 CA LYS A 108 10.351 9.784 4.893 1.00 0.00 C ATOM 873 C LYS A 108 8.978 9.253 4.696 1.00 0.00 C ATOM 874 O LYS A 108 8.002 9.996 4.733 1.00 0.00 O ATOM 875 CB LYS A 108 10.607 9.858 6.394 1.00 0.00 C ATOM 876 CG LYS A 108 12.078 10.087 6.731 1.00 0.00 C ATOM 877 CD LYS A 108 12.544 9.317 7.968 1.00 0.00 C ATOM 878 CE LYS A 108 13.943 9.714 8.446 1.00 0.00 C ATOM 879 NZ LYS A 108 14.940 9.336 7.448 1.00 0.00 N ATOM 0 H LYS A 108 9.478 11.506 4.139 1.00 0.00 H new ATOM 0 HA LYS A 108 11.137 9.160 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.011 10.665 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.271 8.932 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.689 9.793 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.245 11.152 6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.832 9.481 8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.534 8.250 7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.984 10.789 8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.164 9.226 9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.891 9.563 7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.875 8.315 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.765 9.860 6.567 1.00 0.00 H new ATOM 893 N LYS A 109 8.888 7.946 4.430 1.00 0.00 N ATOM 894 CA LYS A 109 7.621 7.320 4.267 1.00 0.00 C ATOM 895 C LYS A 109 7.353 6.571 5.527 1.00 0.00 C ATOM 896 O LYS A 109 8.261 6.008 6.137 1.00 0.00 O ATOM 897 CB LYS A 109 7.647 6.382 3.068 1.00 0.00 C ATOM 898 CG LYS A 109 7.472 7.082 1.727 1.00 0.00 C ATOM 899 CD LYS A 109 7.550 6.112 0.555 1.00 0.00 C ATOM 900 CE LYS A 109 8.963 5.974 -0.013 1.00 0.00 C ATOM 901 NZ LYS A 109 9.207 7.021 -1.000 1.00 0.00 N ATOM 0 H LYS A 109 9.689 7.323 4.328 1.00 0.00 H new ATOM 0 HA LYS A 109 6.836 8.052 4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.594 5.842 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.857 5.640 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.510 7.593 1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.241 7.846 1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 109 7.196 5.132 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.878 6.450 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 109 9.696 6.043 0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 109 9.085 4.993 -0.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 10.121 6.852 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.448 7.012 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.226 7.947 -0.527 1.00 0.00 H new ATOM 915 N ALA A 110 6.088 6.597 5.978 1.00 0.00 N ATOM 916 CA ALA A 110 5.727 5.903 7.183 1.00 0.00 C ATOM 917 C ALA A 110 5.485 4.486 6.799 1.00 0.00 C ATOM 918 O ALA A 110 4.819 4.225 5.806 1.00 0.00 O ATOM 919 CB ALA A 110 4.465 6.436 7.868 1.00 0.00 C ATOM 0 H ALA A 110 5.321 7.090 5.520 1.00 0.00 H new ATOM 0 HA ALA A 110 6.538 6.037 7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.267 5.855 8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.611 7.482 8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.618 6.351 7.187 1.00 0.00 H new ATOM 925 N ARG A 111 6.116 3.538 7.516 1.00 0.00 N ATOM 926 CA ARG A 111 6.210 2.217 7.001 1.00 0.00 C ATOM 927 C ARG A 111 5.106 1.422 7.602 1.00 0.00 C ATOM 928 O ARG A 111 4.760 1.584 8.771 1.00 0.00 O ATOM 929 CB ARG A 111 7.558 1.639 7.381 1.00 0.00 C ATOM 930 CG ARG A 111 7.930 0.386 6.601 1.00 0.00 C ATOM 931 CD ARG A 111 7.264 -0.864 7.162 1.00 0.00 C ATOM 932 NE ARG A 111 8.315 -1.914 7.296 1.00 0.00 N ATOM 933 CZ ARG A 111 7.974 -3.204 7.565 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.681 -3.584 7.601 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.939 -4.136 7.731 1.00 0.00 N ATOM 0 H ARG A 111 6.549 3.684 8.428 1.00 0.00 H new ATOM 0 HA ARG A 111 6.123 2.202 5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.326 2.396 7.222 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.556 1.406 8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.641 0.511 5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.012 0.257 6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.808 -0.653 8.129 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.467 -1.203 6.500 1.00 0.00 H new ATOM 0 HE ARG A 111 9.297 -1.663 7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.944 -2.901 7.425 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.440 -4.554 7.804 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.921 -3.872 7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.685 -5.103 7.933 1.00 0.00 H new ATOM 949 N LEU A 112 4.559 0.520 6.779 1.00 0.00 N ATOM 950 CA LEU A 112 3.276 -0.039 7.044 1.00 0.00 C ATOM 951 C LEU A 112 3.451 -1.470 7.388 1.00 0.00 C ATOM 952 O LEU A 112 4.525 -2.049 7.248 1.00 0.00 O ATOM 953 CB LEU A 112 2.453 0.025 5.761 1.00 0.00 C ATOM 954 CG LEU A 112 1.647 1.313 5.635 1.00 0.00 C ATOM 955 CD1 LEU A 112 2.255 2.512 6.366 1.00 0.00 C ATOM 956 CD2 LEU A 112 0.883 1.446 4.327 1.00 0.00 C ATOM 0 H LEU A 112 5.005 0.176 5.928 1.00 0.00 H new ATOM 0 HA LEU A 112 2.787 0.502 7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.119 -0.066 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.774 -0.827 5.728 1.00 0.00 H new ATOM 0 HG LEU A 112 0.758 1.258 6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.619 3.385 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.333 2.288 7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.248 2.718 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.337 2.389 4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.584 1.425 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.180 0.619 4.231 1.00 0.00 H new ATOM 968 N ASP A 113 2.336 -2.082 7.817 1.00 0.00 N ATOM 969 CA ASP A 113 2.328 -3.483 8.117 1.00 0.00 C ATOM 970 C ASP A 113 1.847 -4.199 6.895 1.00 0.00 C ATOM 971 O ASP A 113 1.428 -3.583 5.928 1.00 0.00 O ATOM 972 CB ASP A 113 1.451 -3.859 9.321 1.00 0.00 C ATOM 973 CG ASP A 113 1.948 -5.185 9.882 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.067 -5.200 10.456 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.246 -6.208 9.666 1.00 0.00 O ATOM 0 H ASP A 113 1.442 -1.612 7.957 1.00 0.00 H new ATOM 0 HA ASP A 113 3.341 -3.774 8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.501 -3.082 10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.407 -3.943 9.019 1.00 0.00 H new ATOM 980 N TRP A 114 2.046 -5.532 6.862 1.00 0.00 N ATOM 981 CA TRP A 114 1.560 -6.323 5.785 1.00 0.00 C ATOM 982 C TRP A 114 0.186 -6.799 6.150 1.00 0.00 C ATOM 983 O TRP A 114 -0.604 -7.181 5.292 1.00 0.00 O ATOM 984 CB TRP A 114 2.519 -7.517 5.555 1.00 0.00 C ATOM 985 CG TRP A 114 3.412 -7.349 4.347 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.756 -7.517 4.169 1.00 0.00 C ATOM 987 CD2 TRP A 114 2.917 -6.790 3.139 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.124 -7.051 2.916 1.00 0.00 N ATOM 989 CE2 TRP A 114 3.994 -6.571 2.277 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.646 -6.455 2.865 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.715 -5.960 1.063 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.376 -5.910 1.637 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.393 -5.652 0.746 1.00 0.00 C ATOM 0 H TRP A 114 2.543 -6.055 7.583 1.00 0.00 H new ATOM 0 HA TRP A 114 1.512 -5.746 4.861 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.140 -7.650 6.441 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.931 -8.428 5.439 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.430 -7.948 4.895 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.068 -7.060 2.530 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.861 -6.610 3.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.512 -5.726 0.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.356 -5.681 1.366 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.164 -5.206 -0.210 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.190 -6.636 7.429 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.539 -6.903 7.831 1.00 0.00 C ATOM 1006 C ASN A 115 -2.207 -5.582 7.989 1.00 0.00 C ATOM 1007 O ASN A 115 -3.159 -5.438 8.758 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.559 -7.528 9.228 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.678 -8.554 9.285 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.435 -9.761 9.268 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.930 -8.058 9.375 1.00 0.00 N ATOM 0 H ASN A 115 0.428 -6.324 8.178 1.00 0.00 H new ATOM 0 HA ASN A 115 -2.013 -7.560 7.102 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.601 -8.001 9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.713 -6.758 9.984 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.727 -8.692 9.433 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.079 -7.049 9.385 1.00 0.00 H new ATOM 1018 N THR A 116 -1.681 -4.542 7.314 1.00 0.00 N ATOM 1019 CA THR A 116 -2.113 -3.218 7.630 1.00 0.00 C ATOM 1020 C THR A 116 -3.512 -3.047 7.091 1.00 0.00 C ATOM 1021 O THR A 116 -3.935 -3.763 6.186 1.00 0.00 O ATOM 1022 CB THR A 116 -1.097 -2.092 7.357 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.436 -1.730 8.562 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.703 -0.736 7.013 1.00 0.00 C ATOM 0 H THR A 116 -0.981 -4.613 6.575 1.00 0.00 H new ATOM 0 HA THR A 116 -2.163 -3.099 8.712 1.00 0.00 H new ATOM 0 HB THR A 116 -0.498 -2.510 6.548 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.183 -0.784 8.525 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.905 -0.014 6.839 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.312 -0.827 6.114 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.326 -0.396 7.840 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.275 -2.110 7.682 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.689 -2.015 7.444 1.00 0.00 C ATOM 1034 C ASP A 117 -5.916 -1.662 6.011 1.00 0.00 C ATOM 1035 O ASP A 117 -6.864 -2.149 5.401 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.327 -0.936 8.325 1.00 0.00 C ATOM 1037 CG ASP A 117 -5.758 -1.069 9.733 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -4.551 -0.748 9.918 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -6.519 -1.493 10.641 1.00 0.00 O ATOM 0 H ASP A 117 -3.912 -1.411 8.330 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.145 -2.975 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.117 0.055 7.923 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.411 -1.051 8.341 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.121 -0.707 5.497 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.352 -0.154 4.182 1.00 0.00 C ATOM 1046 C ALA A 118 -6.499 0.808 4.295 1.00 0.00 C ATOM 1047 O ALA A 118 -6.481 1.889 3.715 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.652 -1.141 3.032 1.00 0.00 C ATOM 0 H ALA A 118 -4.317 -0.312 5.985 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.403 0.299 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.804 -0.586 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.812 -1.825 2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.552 -1.709 3.266 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.451 0.475 5.184 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.654 1.232 5.346 1.00 0.00 C ATOM 1056 C ALA A 119 -8.378 2.329 6.328 1.00 0.00 C ATOM 1057 O ALA A 119 -9.168 3.258 6.476 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.440 0.118 6.069 1.00 0.00 C ATOM 0 H ALA A 119 -7.385 -0.334 5.802 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.105 1.685 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.441 0.476 6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.512 -0.756 5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.922 -0.154 6.989 1.00 0.00 H new ATOM 1064 N SER A 120 -7.214 2.265 7.004 1.00 0.00 N ATOM 1065 CA SER A 120 -6.843 3.316 7.911 1.00 0.00 C ATOM 1066 C SER A 120 -5.981 4.275 7.148 1.00 0.00 C ATOM 1067 O SER A 120 -5.699 5.377 7.608 1.00 0.00 O ATOM 1068 CB SER A 120 -6.046 2.828 9.128 1.00 0.00 C ATOM 1069 OG SER A 120 -6.760 1.802 9.802 1.00 0.00 O ATOM 0 H SER A 120 -6.540 1.503 6.927 1.00 0.00 H new ATOM 0 HA SER A 120 -7.760 3.765 8.292 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.073 2.455 8.809 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.861 3.660 9.808 1.00 0.00 H new ATOM 0 HG SER A 120 -6.242 1.497 10.576 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.530 3.839 5.955 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.664 4.641 5.140 1.00 0.00 C ATOM 1077 C LEU A 121 -5.493 5.132 4.018 1.00 0.00 C ATOM 1078 O LEU A 121 -4.988 5.693 3.050 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.535 3.793 4.541 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.722 3.049 5.600 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.593 3.841 6.902 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.333 1.700 5.980 1.00 0.00 C ATOM 0 H LEU A 121 -5.765 2.931 5.554 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.225 5.441 5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.961 3.071 3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.870 4.437 3.966 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.748 2.908 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.007 3.268 7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.095 4.790 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.585 4.030 7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.712 1.219 6.735 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.335 1.854 6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.388 1.064 5.097 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.808 4.926 4.169 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.729 5.137 3.091 1.00 0.00 C ATOM 1096 C ILE A 122 -7.749 6.596 2.763 1.00 0.00 C ATOM 1097 O ILE A 122 -7.792 7.458 3.641 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.144 4.609 3.367 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.788 3.921 2.162 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.133 5.649 3.930 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.372 2.460 1.979 1.00 0.00 C ATOM 0 H ILE A 122 -7.240 4.612 5.038 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.379 4.557 2.237 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.961 3.871 4.148 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.872 3.968 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.531 4.476 1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.103 5.179 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.755 6.035 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.241 6.470 3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.872 2.046 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.292 2.404 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.654 1.888 2.863 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.658 6.885 1.456 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.809 8.232 0.976 1.00 0.00 C ATOM 1115 C GLY A 123 -6.448 8.871 0.926 1.00 0.00 C ATOM 1116 O GLY A 123 -6.326 10.052 0.610 1.00 0.00 O ATOM 0 H GLY A 123 -7.481 6.193 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.266 8.233 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.470 8.797 1.633 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.378 8.083 1.161 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.061 8.647 1.227 1.00 0.00 C ATOM 1122 C GLU A 124 -3.305 8.176 0.017 1.00 0.00 C ATOM 1123 O GLU A 124 -3.883 7.888 -1.029 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.298 8.200 2.482 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.109 8.343 3.775 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.756 9.674 4.431 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.393 10.642 3.708 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -3.769 9.739 5.691 1.00 0.00 O ATOM 0 H GLU A 124 -5.422 7.074 1.303 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.150 9.733 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -2.999 7.159 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.383 8.787 2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.176 8.300 3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.888 7.518 4.452 1.00 0.00 H new ATOM 1135 N GLU A 125 -1.964 8.107 0.132 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.158 7.592 -0.937 1.00 0.00 C ATOM 1137 C GLU A 125 -0.172 6.658 -0.330 1.00 0.00 C ATOM 1138 O GLU A 125 0.459 6.979 0.679 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.389 8.660 -1.720 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.231 9.319 -2.815 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.748 10.754 -2.995 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.717 11.504 -1.981 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.376 11.108 -4.143 1.00 0.00 O ATOM 0 H GLU A 125 -1.441 8.404 0.956 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.829 7.115 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.037 9.426 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.494 8.207 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.137 8.767 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.286 9.305 -2.542 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.030 5.469 -0.944 1.00 0.00 N ATOM 1151 CA LEU A 126 0.867 4.481 -0.426 1.00 0.00 C ATOM 1152 C LEU A 126 1.993 4.323 -1.396 1.00 0.00 C ATOM 1153 O LEU A 126 1.999 4.896 -2.483 1.00 0.00 O ATOM 1154 CB LEU A 126 0.232 3.097 -0.243 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.483 2.927 1.096 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.886 3.516 1.109 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.453 1.490 1.615 1.00 0.00 C ATOM 0 H LEU A 126 -0.530 5.193 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 126 1.184 4.831 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.479 2.923 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.007 2.336 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 126 0.098 3.519 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.337 3.361 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.834 4.584 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.494 3.025 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.978 1.437 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.941 0.833 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.581 1.174 1.751 1.00 0.00 H new ATOM 1169 N GLN A 127 2.967 3.478 -1.012 1.00 0.00 N ATOM 1170 CA GLN A 127 4.038 3.132 -1.896 1.00 0.00 C ATOM 1171 C GLN A 127 4.550 1.806 -1.441 1.00 0.00 C ATOM 1172 O GLN A 127 4.337 1.411 -0.297 1.00 0.00 O ATOM 1173 CB GLN A 127 5.201 4.132 -1.875 1.00 0.00 C ATOM 1174 CG GLN A 127 6.347 3.766 -2.829 1.00 0.00 C ATOM 1175 CD GLN A 127 7.230 4.991 -3.021 1.00 0.00 C ATOM 1176 OE1 GLN A 127 6.746 6.101 -3.243 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.572 4.781 -3.002 1.00 0.00 N ATOM 0 H GLN A 127 3.014 3.036 -0.094 1.00 0.00 H new ATOM 0 HA GLN A 127 3.654 3.126 -2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.823 5.120 -2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.592 4.199 -0.860 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.930 2.940 -2.421 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.949 3.433 -3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.940 3.848 -2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.212 5.556 -3.175 1.00 0.00 H new ATOM 1186 N VAL A 128 5.230 1.085 -2.348 1.00 0.00 N ATOM 1187 CA VAL A 128 5.875 -0.137 -1.975 1.00 0.00 C ATOM 1188 C VAL A 128 7.332 0.057 -2.240 1.00 0.00 C ATOM 1189 O VAL A 128 7.724 0.861 -3.073 1.00 0.00 O ATOM 1190 CB VAL A 128 5.355 -1.343 -2.772 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.208 -2.604 -2.615 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.939 -1.759 -2.372 1.00 0.00 C ATOM 0 H VAL A 128 5.334 1.343 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 128 5.671 -0.355 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 128 5.390 -0.981 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.777 -3.411 -3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.222 -2.403 -2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.233 -2.898 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.629 -2.616 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.924 -2.029 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.254 -0.929 -2.544 1.00 0.00 H new ATOM 1202 N ASP A 129 8.188 -0.631 -1.468 1.00 0.00 N ATOM 1203 CA ASP A 129 9.601 -0.471 -1.634 1.00 0.00 C ATOM 1204 C ASP A 129 10.242 -1.728 -1.141 1.00 0.00 C ATOM 1205 O ASP A 129 9.561 -2.688 -0.794 1.00 0.00 O ATOM 1206 CB ASP A 129 10.149 0.736 -0.851 1.00 0.00 C ATOM 1207 CG ASP A 129 10.696 1.742 -1.852 1.00 0.00 C ATOM 1208 OD1 ASP A 129 11.715 1.418 -2.517 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.079 2.833 -1.993 1.00 0.00 O ATOM 0 H ASP A 129 7.911 -1.289 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 129 9.824 -0.285 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.361 1.188 -0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.933 0.419 -0.163 1.00 0.00 H new ATOM 1214 N PHE A 130 11.588 -1.764 -1.127 1.00 0.00 N ATOM 1215 CA PHE A 130 12.278 -2.949 -0.708 1.00 0.00 C ATOM 1216 C PHE A 130 12.404 -2.894 0.786 1.00 0.00 C ATOM 1217 O PHE A 130 12.416 -1.819 1.385 1.00 0.00 O ATOM 1218 CB PHE A 130 13.675 -3.109 -1.333 1.00 0.00 C ATOM 1219 CG PHE A 130 14.323 -1.764 -1.379 1.00 0.00 C ATOM 1220 CD1 PHE A 130 15.103 -1.309 -0.309 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.204 -0.945 -2.492 1.00 0.00 C ATOM 1222 CE1 PHE A 130 15.696 -0.060 -0.342 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.792 0.310 -2.520 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.536 0.753 -1.446 1.00 0.00 C ATOM 0 H PHE A 130 12.191 -0.988 -1.400 1.00 0.00 H new ATOM 0 HA PHE A 130 11.699 -3.809 -1.045 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.277 -3.801 -0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.597 -3.528 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 130 15.244 -1.942 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 130 13.645 -1.290 -3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 130 16.285 0.280 0.497 1.00 0.00 H new ATOM 0 HE2 PHE A 130 14.667 0.943 -3.386 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.991 1.732 -1.469 1.00 0.00 H new