USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 743 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 53 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 103 THR OG1 : rot 180:sc= 0.047 USER MOD Set 2.1: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 48 THR OG1 : rot -170:sc= 0 USER MOD Set 3.2: A 67 HIS : no HE2:sc= -0.0892 X(o=-0.089,f=-0.016) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.0499 USER MOD Single : A 17 ASN :FLIP amide:sc= 0.2 F(o=-0.59,f=0.2) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 23 SER OG : rot -46:sc= 0.048 USER MOD Single : A 25 GLN : amide:sc= -2.83 K(o=-2.8,f=-6.1!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 140:sc= -0.72 (180deg=-3.28!) USER MOD Single : A 40 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.14) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.021) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.332 K(o=-0.33,f=-1.1) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 71 ASN : amide:sc= -0.468 K(o=-0.47,f=-4.3!) USER MOD Single : A 74 ASN : amide:sc= -0.0652 X(o=-0.065,f=0.23) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0409 K(o=-0.041,f=-1.6) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 21:sc= 0.0365 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.0022) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.845 X(o=-0.84,f=-0.39) USER MOD Single : A 95 GLN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.0053) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 18:sc= 0.235! USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.357 -12.013 -8.354 1.00 0.00 N ATOM 67 CA LEU A 8 1.214 -10.696 -7.742 1.00 0.00 C ATOM 68 C LEU A 8 2.338 -9.765 -8.187 1.00 0.00 C ATOM 69 O LEU A 8 2.181 -8.545 -8.191 1.00 0.00 O ATOM 70 CB LEU A 8 1.210 -10.818 -6.218 1.00 0.00 C ATOM 71 CG LEU A 8 1.347 -9.509 -5.440 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.003 -8.823 -5.307 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.955 -9.765 -4.068 1.00 0.00 C ATOM 0 HA LEU A 8 0.265 -10.271 -8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.282 -11.302 -5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.025 -11.479 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 8 2.014 -8.848 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.115 -7.893 -4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.399 -8.605 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.694 -9.479 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.045 -8.822 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.314 -10.445 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.942 -10.212 -4.185 1.00 0.00 H new ATOM 85 N ASP A 9 3.470 -10.350 -8.563 1.00 0.00 N ATOM 86 CA ASP A 9 4.619 -9.573 -9.012 1.00 0.00 C ATOM 87 C ASP A 9 4.304 -8.840 -10.312 1.00 0.00 C ATOM 88 O ASP A 9 5.045 -7.949 -10.728 1.00 0.00 O ATOM 89 CB ASP A 9 5.833 -10.484 -9.206 1.00 0.00 C ATOM 90 CG ASP A 9 5.532 -11.664 -10.111 1.00 0.00 C ATOM 91 OD1 ASP A 9 5.078 -12.707 -9.595 1.00 0.00 O ATOM 92 OD2 ASP A 9 5.751 -11.544 -11.334 1.00 0.00 O ATOM 0 H ASP A 9 3.616 -11.359 -8.566 1.00 0.00 H new ATOM 0 HA ASP A 9 4.849 -8.833 -8.245 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.654 -9.905 -9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.168 -10.850 -8.235 1.00 0.00 H new ATOM 97 N ASP A 10 3.203 -9.222 -10.949 1.00 0.00 N ATOM 98 CA ASP A 10 2.790 -8.600 -12.201 1.00 0.00 C ATOM 99 C ASP A 10 2.584 -7.099 -12.021 1.00 0.00 C ATOM 100 O ASP A 10 2.904 -6.307 -12.908 1.00 0.00 O ATOM 101 CB ASP A 10 1.503 -9.246 -12.715 1.00 0.00 C ATOM 102 CG ASP A 10 1.371 -9.155 -14.223 1.00 0.00 C ATOM 103 OD1 ASP A 10 2.053 -9.928 -14.927 1.00 0.00 O ATOM 104 OD2 ASP A 10 0.586 -8.308 -14.700 1.00 0.00 O ATOM 0 H ASP A 10 2.580 -9.959 -10.619 1.00 0.00 H new ATOM 0 HA ASP A 10 3.583 -8.754 -12.933 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.480 -10.293 -12.414 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.645 -8.762 -12.248 1.00 0.00 H new ATOM 109 N TYR A 11 2.045 -6.715 -10.869 1.00 0.00 N ATOM 110 CA TYR A 11 1.794 -5.309 -10.574 1.00 0.00 C ATOM 111 C TYR A 11 3.102 -4.542 -10.416 1.00 0.00 C ATOM 112 O TYR A 11 4.182 -5.134 -10.381 1.00 0.00 O ATOM 113 CB TYR A 11 0.954 -5.176 -9.303 1.00 0.00 C ATOM 114 CG TYR A 11 -0.450 -5.719 -9.443 1.00 0.00 C ATOM 115 CD1 TYR A 11 -1.450 -4.965 -10.044 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.776 -6.987 -8.977 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.734 -5.458 -10.175 1.00 0.00 C ATOM 118 CE2 TYR A 11 -2.056 -7.487 -9.104 1.00 0.00 C ATOM 119 CZ TYR A 11 -3.032 -6.719 -9.703 1.00 0.00 C ATOM 120 OH TYR A 11 -4.310 -7.214 -9.833 1.00 0.00 O ATOM 0 H TYR A 11 1.774 -7.357 -10.125 1.00 0.00 H new ATOM 0 HA TYR A 11 1.244 -4.881 -11.412 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.457 -5.699 -8.489 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.901 -4.124 -9.021 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.220 -3.977 -10.415 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.014 -7.592 -8.507 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.500 -4.859 -10.645 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.292 -8.475 -8.736 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.352 -8.115 -9.450 1.00 0.00 H new ATOM 130 N ASP A 12 2.999 -3.221 -10.319 1.00 0.00 N ATOM 131 CA ASP A 12 4.173 -2.371 -10.163 1.00 0.00 C ATOM 132 C ASP A 12 4.325 -1.915 -8.714 1.00 0.00 C ATOM 133 O ASP A 12 5.377 -2.098 -8.103 1.00 0.00 O ATOM 134 CB ASP A 12 4.076 -1.156 -11.086 1.00 0.00 C ATOM 135 CG ASP A 12 4.443 -1.487 -12.519 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.652 -1.504 -12.834 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.522 -1.729 -13.327 1.00 0.00 O ATOM 0 H ASP A 12 2.113 -2.715 -10.346 1.00 0.00 H new ATOM 0 HA ASP A 12 5.052 -2.954 -10.436 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.061 -0.761 -11.056 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.735 -0.370 -10.718 1.00 0.00 H new ATOM 142 N TRP A 13 3.267 -1.321 -8.174 1.00 0.00 N ATOM 143 CA TRP A 13 3.283 -0.837 -6.798 1.00 0.00 C ATOM 144 C TRP A 13 3.917 -1.865 -5.867 1.00 0.00 C ATOM 145 O TRP A 13 4.629 -1.511 -4.927 1.00 0.00 O ATOM 146 CB TRP A 13 1.862 -0.515 -6.332 1.00 0.00 C ATOM 147 CG TRP A 13 0.831 -1.451 -6.884 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.097 -1.283 -8.024 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.416 -2.700 -6.319 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.748 -2.352 -8.202 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.571 -3.235 -7.170 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.785 -3.419 -5.178 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -1.194 -4.454 -6.913 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.167 -4.628 -4.925 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.813 -5.136 -5.789 1.00 0.00 C ATOM 0 H TRP A 13 2.388 -1.163 -8.667 1.00 0.00 H new ATOM 0 HA TRP A 13 3.882 0.073 -6.766 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.828 -0.549 -5.243 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.613 0.504 -6.627 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.170 -0.434 -8.688 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.401 -2.469 -8.977 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.539 -3.036 -4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.950 -4.847 -7.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.444 -5.192 -4.046 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.277 -6.085 -5.563 1.00 0.00 H new ATOM 166 N PHE A 14 3.652 -3.140 -6.134 1.00 0.00 N ATOM 167 CA PHE A 14 4.196 -4.220 -5.318 1.00 0.00 C ATOM 168 C PHE A 14 5.719 -4.255 -5.407 1.00 0.00 C ATOM 169 O PHE A 14 6.284 -4.873 -6.308 1.00 0.00 O ATOM 170 CB PHE A 14 3.617 -5.564 -5.763 1.00 0.00 C ATOM 171 CG PHE A 14 4.150 -6.733 -4.985 1.00 0.00 C ATOM 172 CD1 PHE A 14 4.546 -6.582 -3.666 1.00 0.00 C ATOM 173 CD2 PHE A 14 4.258 -7.984 -5.575 1.00 0.00 C ATOM 174 CE1 PHE A 14 5.036 -7.657 -2.948 1.00 0.00 C ATOM 175 CE2 PHE A 14 4.747 -9.060 -4.861 1.00 0.00 C ATOM 176 CZ PHE A 14 5.138 -8.897 -3.546 1.00 0.00 C ATOM 0 H PHE A 14 3.065 -3.450 -6.908 1.00 0.00 H new ATOM 0 HA PHE A 14 3.915 -4.036 -4.281 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.532 -5.535 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.835 -5.712 -6.821 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.471 -5.614 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.956 -8.118 -6.603 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.339 -7.527 -1.920 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.824 -10.029 -5.331 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.522 -9.738 -2.987 1.00 0.00 H new ATOM 186 N ALA A 15 6.376 -3.586 -4.466 1.00 0.00 N ATOM 187 CA ALA A 15 7.833 -3.541 -4.436 1.00 0.00 C ATOM 188 C ALA A 15 8.420 -4.926 -4.190 1.00 0.00 C ATOM 189 O ALA A 15 9.260 -5.400 -4.953 1.00 0.00 O ATOM 190 CB ALA A 15 8.309 -2.567 -3.369 1.00 0.00 C ATOM 0 H ALA A 15 5.923 -3.067 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 15 8.181 -3.195 -5.409 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.399 -2.544 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.927 -1.570 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.943 -2.888 -2.394 1.00 0.00 H new ATOM 196 N GLY A 16 7.972 -5.572 -3.117 1.00 0.00 N ATOM 197 CA GLY A 16 8.465 -6.897 -2.790 1.00 0.00 C ATOM 198 C GLY A 16 9.183 -6.935 -1.455 1.00 0.00 C ATOM 199 O GLY A 16 8.691 -6.399 -0.463 1.00 0.00 O ATOM 0 H GLY A 16 7.277 -5.201 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.630 -7.597 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.144 -7.233 -3.574 1.00 0.00 H new ATOM 203 N ASN A 17 10.349 -7.572 -1.431 1.00 0.00 N ATOM 204 CA ASN A 17 11.136 -7.679 -0.208 1.00 0.00 C ATOM 205 C ASN A 17 11.929 -6.401 0.044 1.00 0.00 C ATOM 206 O ASN A 17 12.978 -6.180 -0.564 1.00 0.00 O ATOM 207 CB ASN A 17 12.087 -8.876 -0.291 1.00 0.00 C ATOM 208 CG ASN A 17 12.673 -9.051 -1.678 1.00 0.00 C ATOM 209 OD1 ASN A 17 12.196 -10.059 -2.399 1.00 0.00 O flip ATOM 210 ND2 ASN A 17 13.545 -8.290 -2.096 1.00 0.00 N flip ATOM 0 H ASN A 17 10.770 -8.022 -2.244 1.00 0.00 H new ATOM 0 HA ASN A 17 10.448 -7.827 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.895 -8.745 0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.552 -9.783 -0.008 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.882 -7.528 -1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.931 -8.421 -3.031 1.00 0.00 H new ATOM 217 N ILE A 18 11.423 -5.564 0.941 1.00 0.00 N ATOM 218 CA ILE A 18 12.086 -4.308 1.274 1.00 0.00 C ATOM 219 C ILE A 18 12.120 -4.087 2.782 1.00 0.00 C ATOM 220 O ILE A 18 11.365 -4.709 3.529 1.00 0.00 O ATOM 221 CB ILE A 18 11.386 -3.108 0.607 1.00 0.00 C ATOM 222 CG1 ILE A 18 9.928 -3.025 1.058 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.473 -3.221 -0.907 1.00 0.00 C ATOM 224 CD1 ILE A 18 9.140 -1.938 0.361 1.00 0.00 C ATOM 0 H ILE A 18 10.556 -5.731 1.451 1.00 0.00 H new ATOM 0 HA ILE A 18 13.106 -4.380 0.896 1.00 0.00 H new ATOM 0 HB ILE A 18 11.893 -2.193 0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.445 -3.985 0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.898 -2.851 2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.974 -2.367 -1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.520 -3.236 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.987 -4.141 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.115 -1.938 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.599 -0.970 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.138 -2.122 -0.713 1.00 0.00 H new ATOM 236 N SER A 19 13.003 -3.196 3.224 1.00 0.00 N ATOM 237 CA SER A 19 13.138 -2.894 4.644 1.00 0.00 C ATOM 238 C SER A 19 12.566 -1.516 4.963 1.00 0.00 C ATOM 239 O SER A 19 12.221 -0.751 4.063 1.00 0.00 O ATOM 240 CB SER A 19 14.608 -2.958 5.063 1.00 0.00 C ATOM 241 OG SER A 19 14.734 -3.320 6.428 1.00 0.00 O ATOM 0 H SER A 19 13.635 -2.671 2.619 1.00 0.00 H new ATOM 0 HA SER A 19 12.575 -3.641 5.204 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.135 -3.682 4.441 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.080 -1.990 4.895 1.00 0.00 H new ATOM 0 HG SER A 19 15.683 -3.356 6.671 1.00 0.00 H new ATOM 247 N ARG A 20 12.468 -1.207 6.252 1.00 0.00 N ATOM 248 CA ARG A 20 11.937 0.077 6.691 1.00 0.00 C ATOM 249 C ARG A 20 12.671 1.231 6.012 1.00 0.00 C ATOM 250 O ARG A 20 12.083 2.275 5.732 1.00 0.00 O ATOM 251 CB ARG A 20 12.054 0.209 8.211 1.00 0.00 C ATOM 252 CG ARG A 20 13.458 -0.038 8.737 1.00 0.00 C ATOM 253 CD ARG A 20 13.679 0.647 10.077 1.00 0.00 C ATOM 254 NE ARG A 20 14.970 0.296 10.665 1.00 0.00 N ATOM 255 CZ ARG A 20 15.352 0.674 11.880 1.00 0.00 C ATOM 256 NH1 ARG A 20 14.546 1.411 12.631 1.00 0.00 N ATOM 257 NH2 ARG A 20 16.541 0.315 12.345 1.00 0.00 N ATOM 0 H ARG A 20 12.749 -1.829 7.010 1.00 0.00 H new ATOM 0 HA ARG A 20 10.885 0.122 6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.735 1.209 8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.369 -0.496 8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.625 -1.110 8.843 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.188 0.328 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.622 1.728 9.945 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.880 0.367 10.763 1.00 0.00 H new ATOM 0 HE ARG A 20 15.613 -0.270 10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.631 1.689 12.276 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.841 1.700 13.564 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.164 -0.252 11.770 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.833 0.606 13.278 1.00 0.00 H new ATOM 271 N SER A 21 13.959 1.033 5.751 1.00 0.00 N ATOM 272 CA SER A 21 14.775 2.057 5.109 1.00 0.00 C ATOM 273 C SER A 21 14.432 2.175 3.628 1.00 0.00 C ATOM 274 O SER A 21 13.943 3.208 3.173 1.00 0.00 O ATOM 275 CB SER A 21 16.261 1.735 5.277 1.00 0.00 C ATOM 276 OG SER A 21 17.070 2.797 4.803 1.00 0.00 O ATOM 0 H SER A 21 14.460 0.173 5.974 1.00 0.00 H new ATOM 0 HA SER A 21 14.561 3.011 5.590 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.479 1.549 6.329 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.502 0.821 4.735 1.00 0.00 H new ATOM 0 HG SER A 21 18.015 2.567 4.923 1.00 0.00 H new ATOM 282 N GLN A 22 14.693 1.107 2.880 1.00 0.00 N ATOM 283 CA GLN A 22 14.413 1.091 1.449 1.00 0.00 C ATOM 284 C GLN A 22 13.008 1.610 1.163 1.00 0.00 C ATOM 285 O GLN A 22 12.832 2.579 0.426 1.00 0.00 O ATOM 286 CB GLN A 22 14.569 -0.327 0.894 1.00 0.00 C ATOM 287 CG GLN A 22 15.981 -0.647 0.432 1.00 0.00 C ATOM 288 CD GLN A 22 16.310 -2.122 0.541 1.00 0.00 C ATOM 289 OE1 GLN A 22 15.522 -2.978 0.138 1.00 0.00 O ATOM 290 NE2 GLN A 22 17.480 -2.429 1.089 1.00 0.00 N ATOM 0 H GLN A 22 15.097 0.243 3.241 1.00 0.00 H new ATOM 0 HA GLN A 22 15.130 1.748 0.956 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.276 -1.043 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.883 -0.458 0.057 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.102 -0.327 -0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.692 -0.075 1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 22 18.103 -1.688 1.410 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.756 -3.406 1.189 1.00 0.00 H new ATOM 299 N SER A 23 12.010 0.957 1.751 1.00 0.00 N ATOM 300 CA SER A 23 10.619 1.351 1.557 1.00 0.00 C ATOM 301 C SER A 23 10.475 2.869 1.589 1.00 0.00 C ATOM 302 O SER A 23 9.732 3.449 0.798 1.00 0.00 O ATOM 303 CB SER A 23 9.733 0.719 2.632 1.00 0.00 C ATOM 304 OG SER A 23 9.909 1.364 3.881 1.00 0.00 O ATOM 0 H SER A 23 12.139 0.153 2.365 1.00 0.00 H new ATOM 0 HA SER A 23 10.299 0.994 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.688 0.783 2.330 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.973 -0.340 2.729 1.00 0.00 H new ATOM 0 HG SER A 23 10.866 1.485 4.055 1.00 0.00 H new ATOM 310 N GLU A 24 11.190 3.505 2.512 1.00 0.00 N ATOM 311 CA GLU A 24 11.141 4.957 2.649 1.00 0.00 C ATOM 312 C GLU A 24 11.954 5.635 1.550 1.00 0.00 C ATOM 313 O GLU A 24 11.446 6.494 0.830 1.00 0.00 O ATOM 314 CB GLU A 24 11.666 5.379 4.021 1.00 0.00 C ATOM 315 CG GLU A 24 10.609 5.353 5.113 1.00 0.00 C ATOM 316 CD GLU A 24 11.208 5.356 6.506 1.00 0.00 C ATOM 317 OE1 GLU A 24 12.182 4.608 6.734 1.00 0.00 O ATOM 318 OE2 GLU A 24 10.703 6.105 7.368 1.00 0.00 O ATOM 0 H GLU A 24 11.809 3.039 3.175 1.00 0.00 H new ATOM 0 HA GLU A 24 10.101 5.271 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.486 4.719 4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.077 6.386 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.955 6.218 5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.988 4.466 4.991 1.00 0.00 H new ATOM 325 N GLN A 25 13.218 5.242 1.429 1.00 0.00 N ATOM 326 CA GLN A 25 14.101 5.813 0.419 1.00 0.00 C ATOM 327 C GLN A 25 13.424 5.835 -0.947 1.00 0.00 C ATOM 328 O GLN A 25 13.310 6.887 -1.579 1.00 0.00 O ATOM 329 CB GLN A 25 15.405 5.016 0.342 1.00 0.00 C ATOM 330 CG GLN A 25 16.314 5.445 -0.799 1.00 0.00 C ATOM 331 CD GLN A 25 15.975 4.755 -2.106 1.00 0.00 C ATOM 332 OE1 GLN A 25 15.599 3.583 -2.123 1.00 0.00 O ATOM 333 NE2 GLN A 25 16.107 5.481 -3.209 1.00 0.00 N ATOM 0 H GLN A 25 13.653 4.531 2.017 1.00 0.00 H new ATOM 0 HA GLN A 25 14.327 6.839 0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.943 5.123 1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.168 3.958 0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 25 16.239 6.524 -0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 25 17.349 5.227 -0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.422 6.449 -3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.894 5.071 -4.118 1.00 0.00 H new ATOM 342 N LEU A 26 12.976 4.668 -1.399 1.00 0.00 N ATOM 343 CA LEU A 26 12.310 4.554 -2.692 1.00 0.00 C ATOM 344 C LEU A 26 11.089 5.467 -2.759 1.00 0.00 C ATOM 345 O LEU A 26 11.034 6.388 -3.575 1.00 0.00 O ATOM 346 CB LEU A 26 11.890 3.104 -2.945 1.00 0.00 C ATOM 347 CG LEU A 26 13.011 2.065 -2.913 1.00 0.00 C ATOM 348 CD1 LEU A 26 12.470 0.707 -2.495 1.00 0.00 C ATOM 349 CD2 LEU A 26 13.692 1.975 -4.271 1.00 0.00 C ATOM 0 H LEU A 26 13.062 3.788 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 26 13.015 4.863 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.144 2.828 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.402 3.053 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 26 13.751 2.379 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.283 -0.019 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.029 0.781 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.710 0.384 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.487 1.231 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.961 1.685 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.116 2.945 -4.531 1.00 0.00 H new ATOM 361 N LEU A 27 10.114 5.207 -1.894 1.00 0.00 N ATOM 362 CA LEU A 27 8.896 6.008 -1.853 1.00 0.00 C ATOM 363 C LEU A 27 9.196 7.474 -2.150 1.00 0.00 C ATOM 364 O LEU A 27 8.490 8.118 -2.927 1.00 0.00 O ATOM 365 CB LEU A 27 8.225 5.881 -0.485 1.00 0.00 C ATOM 366 CG LEU A 27 7.218 4.739 -0.334 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.856 4.535 1.128 1.00 0.00 C ATOM 368 CD2 LEU A 27 5.970 5.016 -1.162 1.00 0.00 C ATOM 0 H LEU A 27 10.144 4.449 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 27 8.219 5.633 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.003 5.755 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.716 6.819 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 27 7.679 3.823 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.139 3.719 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.754 4.290 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.415 5.449 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.264 4.194 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.507 5.943 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.244 5.110 -2.213 1.00 0.00 H new ATOM 380 N ARG A 28 10.250 7.994 -1.529 1.00 0.00 N ATOM 381 CA ARG A 28 10.645 9.383 -1.728 1.00 0.00 C ATOM 382 C ARG A 28 11.304 9.571 -3.091 1.00 0.00 C ATOM 383 O ARG A 28 10.859 10.387 -3.897 1.00 0.00 O ATOM 384 CB ARG A 28 11.602 9.827 -0.620 1.00 0.00 C ATOM 385 CG ARG A 28 10.929 10.011 0.729 1.00 0.00 C ATOM 386 CD ARG A 28 11.936 9.948 1.868 1.00 0.00 C ATOM 387 NE ARG A 28 12.542 11.250 2.136 1.00 0.00 N ATOM 388 CZ ARG A 28 13.589 11.723 1.472 1.00 0.00 C ATOM 389 NH1 ARG A 28 14.145 11.006 0.505 1.00 0.00 N ATOM 390 NH2 ARG A 28 14.084 12.916 1.774 1.00 0.00 N ATOM 0 H ARG A 28 10.845 7.474 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 28 9.747 9.999 -1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.398 9.089 -0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.072 10.766 -0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.413 10.971 0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.172 9.239 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.441 9.586 2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.717 9.228 1.622 1.00 0.00 H new ATOM 0 HE ARG A 28 12.138 11.827 2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.768 10.088 0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.950 11.373 -0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.660 13.471 2.517 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.889 13.278 1.263 1.00 0.00 H new ATOM 404 N GLN A 29 12.366 8.812 -3.338 1.00 0.00 N ATOM 405 CA GLN A 29 13.087 8.897 -4.603 1.00 0.00 C ATOM 406 C GLN A 29 12.123 9.111 -5.766 1.00 0.00 C ATOM 407 O GLN A 29 12.333 9.984 -6.608 1.00 0.00 O ATOM 408 CB GLN A 29 13.908 7.626 -4.832 1.00 0.00 C ATOM 409 CG GLN A 29 15.189 7.863 -5.617 1.00 0.00 C ATOM 410 CD GLN A 29 14.996 7.703 -7.111 1.00 0.00 C ATOM 411 OE1 GLN A 29 14.794 8.681 -7.831 1.00 0.00 O ATOM 412 NE2 GLN A 29 15.057 6.465 -7.588 1.00 0.00 N ATOM 0 H GLN A 29 12.746 8.132 -2.680 1.00 0.00 H new ATOM 0 HA GLN A 29 13.761 9.752 -4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 29 14.159 7.187 -3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.295 6.898 -5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.558 8.867 -5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.954 7.165 -5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.226 5.683 -6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.934 6.297 -8.586 1.00 0.00 H new ATOM 421 N LYS A 30 11.066 8.307 -5.807 1.00 0.00 N ATOM 422 CA LYS A 30 10.068 8.408 -6.865 1.00 0.00 C ATOM 423 C LYS A 30 9.758 9.868 -7.184 1.00 0.00 C ATOM 424 O LYS A 30 10.003 10.335 -8.296 1.00 0.00 O ATOM 425 CB LYS A 30 8.785 7.681 -6.455 1.00 0.00 C ATOM 426 CG LYS A 30 7.820 7.456 -7.607 1.00 0.00 C ATOM 427 CD LYS A 30 8.243 6.276 -8.465 1.00 0.00 C ATOM 428 CE LYS A 30 7.232 5.997 -9.566 1.00 0.00 C ATOM 429 NZ LYS A 30 7.875 5.412 -10.775 1.00 0.00 N ATOM 0 H LYS A 30 10.878 7.578 -5.119 1.00 0.00 H new ATOM 0 HA LYS A 30 10.475 7.938 -7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.047 6.718 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.283 8.258 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.818 7.281 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.770 8.355 -8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.218 6.478 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.354 5.391 -7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.469 5.313 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.725 6.923 -9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.152 5.237 -11.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.585 6.075 -11.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.337 4.515 -10.523 1.00 0.00 H new ATOM 443 N GLY A 31 9.221 10.582 -6.201 1.00 0.00 N ATOM 444 CA GLY A 31 8.888 11.982 -6.397 1.00 0.00 C ATOM 445 C GLY A 31 7.471 12.176 -6.895 1.00 0.00 C ATOM 446 O GLY A 31 7.157 13.191 -7.518 1.00 0.00 O ATOM 0 H GLY A 31 9.010 10.217 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.016 12.518 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.584 12.421 -7.111 1.00 0.00 H new ATOM 450 N LYS A 32 6.610 11.202 -6.622 1.00 0.00 N ATOM 451 CA LYS A 32 5.217 11.268 -7.045 1.00 0.00 C ATOM 452 C LYS A 32 4.286 11.369 -5.842 1.00 0.00 C ATOM 453 O LYS A 32 4.131 10.410 -5.086 1.00 0.00 O ATOM 454 CB LYS A 32 4.857 10.038 -7.882 1.00 0.00 C ATOM 455 CG LYS A 32 5.444 10.063 -9.282 1.00 0.00 C ATOM 456 CD LYS A 32 4.587 10.883 -10.232 1.00 0.00 C ATOM 457 CE LYS A 32 4.687 10.367 -11.659 1.00 0.00 C ATOM 458 NZ LYS A 32 5.983 10.738 -12.294 1.00 0.00 N ATOM 0 H LYS A 32 6.854 10.355 -6.108 1.00 0.00 H new ATOM 0 HA LYS A 32 5.091 12.163 -7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.206 9.143 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.772 9.962 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.451 10.479 -9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.533 9.044 -9.658 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.548 10.852 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.901 11.926 -10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.579 9.282 -11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.865 10.771 -12.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.012 10.368 -13.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.075 11.774 -12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.767 10.332 -11.745 1.00 0.00 H new ATOM 472 N GLU A 33 3.668 12.533 -5.671 1.00 0.00 N ATOM 473 CA GLU A 33 2.751 12.756 -4.559 1.00 0.00 C ATOM 474 C GLU A 33 1.792 11.579 -4.401 1.00 0.00 C ATOM 475 O GLU A 33 1.501 10.867 -5.361 1.00 0.00 O ATOM 476 CB GLU A 33 1.960 14.048 -4.773 1.00 0.00 C ATOM 477 CG GLU A 33 2.835 15.283 -4.899 1.00 0.00 C ATOM 478 CD GLU A 33 3.416 15.725 -3.570 1.00 0.00 C ATOM 479 OE1 GLU A 33 2.741 16.491 -2.852 1.00 0.00 O ATOM 480 OE2 GLU A 33 4.547 15.303 -3.249 1.00 0.00 O ATOM 0 H GLU A 33 3.785 13.336 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 33 3.341 12.847 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.355 13.948 -5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.271 14.185 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.647 15.078 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.248 16.098 -5.324 1.00 0.00 H new ATOM 487 N GLY A 34 1.304 11.381 -3.180 1.00 0.00 N ATOM 488 CA GLY A 34 0.384 10.290 -2.916 1.00 0.00 C ATOM 489 C GLY A 34 0.915 8.956 -3.399 1.00 0.00 C ATOM 490 O GLY A 34 0.144 8.077 -3.786 1.00 0.00 O ATOM 0 H GLY A 34 1.530 11.957 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.189 10.234 -1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.569 10.496 -3.403 1.00 0.00 H new ATOM 494 N ALA A 35 2.235 8.802 -3.380 1.00 0.00 N ATOM 495 CA ALA A 35 2.867 7.565 -3.819 1.00 0.00 C ATOM 496 C ALA A 35 2.531 6.413 -2.879 1.00 0.00 C ATOM 497 O ALA A 35 2.476 6.587 -1.660 1.00 0.00 O ATOM 498 CB ALA A 35 4.374 7.748 -3.914 1.00 0.00 C ATOM 0 H ALA A 35 2.888 9.520 -3.065 1.00 0.00 H new ATOM 0 HA ALA A 35 2.478 7.318 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.834 6.816 -4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.600 8.537 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.770 8.022 -2.936 1.00 0.00 H new ATOM 504 N PHE A 36 2.304 5.235 -3.450 1.00 0.00 N ATOM 505 CA PHE A 36 1.970 4.054 -2.663 1.00 0.00 C ATOM 506 C PHE A 36 2.737 2.833 -3.162 1.00 0.00 C ATOM 507 O PHE A 36 3.146 2.774 -4.321 1.00 0.00 O ATOM 508 CB PHE A 36 0.465 3.784 -2.722 1.00 0.00 C ATOM 509 CG PHE A 36 0.058 2.907 -3.872 1.00 0.00 C ATOM 510 CD1 PHE A 36 -0.093 3.436 -5.143 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.173 1.555 -3.681 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.468 2.632 -6.203 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.548 0.746 -4.737 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.694 1.285 -6.000 1.00 0.00 C ATOM 0 H PHE A 36 2.345 5.073 -4.456 1.00 0.00 H new ATOM 0 HA PHE A 36 2.258 4.244 -1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.151 3.315 -1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.064 4.734 -2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.084 4.489 -5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.059 1.128 -2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.584 3.057 -7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.727 -0.307 -4.575 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.984 0.654 -6.827 1.00 0.00 H new ATOM 524 N MET A 37 2.929 1.860 -2.278 1.00 0.00 N ATOM 525 CA MET A 37 3.646 0.640 -2.627 1.00 0.00 C ATOM 526 C MET A 37 3.204 -0.524 -1.745 1.00 0.00 C ATOM 527 O MET A 37 2.327 -0.372 -0.895 1.00 0.00 O ATOM 528 CB MET A 37 5.155 0.853 -2.492 1.00 0.00 C ATOM 529 CG MET A 37 5.608 1.096 -1.061 1.00 0.00 C ATOM 530 SD MET A 37 7.341 0.671 -0.800 1.00 0.00 S ATOM 531 CE MET A 37 8.124 1.630 -2.094 1.00 0.00 C ATOM 0 H MET A 37 2.598 1.893 -1.314 1.00 0.00 H new ATOM 0 HA MET A 37 3.412 0.396 -3.663 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.674 -0.021 -2.885 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.450 1.703 -3.107 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.453 2.145 -0.808 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.988 0.510 -0.383 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.049 2.064 -1.716 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.347 0.983 -2.942 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.453 2.427 -2.413 1.00 0.00 H new ATOM 541 N VAL A 38 3.817 -1.685 -1.954 1.00 0.00 N ATOM 542 CA VAL A 38 3.486 -2.874 -1.177 1.00 0.00 C ATOM 543 C VAL A 38 4.682 -3.814 -1.074 1.00 0.00 C ATOM 544 O VAL A 38 5.520 -3.867 -1.975 1.00 0.00 O ATOM 545 CB VAL A 38 2.298 -3.635 -1.794 1.00 0.00 C ATOM 546 CG1 VAL A 38 2.168 -5.018 -1.172 1.00 0.00 C ATOM 547 CG2 VAL A 38 1.011 -2.844 -1.625 1.00 0.00 C ATOM 0 H VAL A 38 4.545 -1.828 -2.654 1.00 0.00 H new ATOM 0 HA VAL A 38 3.210 -2.534 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 38 2.484 -3.758 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.323 -5.541 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.082 -5.585 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.006 -4.920 -0.099 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.183 -3.398 -2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.817 -2.687 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.109 -1.879 -2.123 1.00 0.00 H new ATOM 557 N ARG A 39 4.754 -4.554 0.027 1.00 0.00 N ATOM 558 CA ARG A 39 5.847 -5.493 0.246 1.00 0.00 C ATOM 559 C ARG A 39 5.334 -6.791 0.862 1.00 0.00 C ATOM 560 O ARG A 39 4.280 -6.815 1.494 1.00 0.00 O ATOM 561 CB ARG A 39 6.908 -4.868 1.155 1.00 0.00 C ATOM 562 CG ARG A 39 6.371 -4.432 2.508 1.00 0.00 C ATOM 563 CD ARG A 39 7.370 -3.559 3.250 1.00 0.00 C ATOM 564 NE ARG A 39 8.343 -4.352 3.996 1.00 0.00 N ATOM 565 CZ ARG A 39 8.074 -4.939 5.157 1.00 0.00 C ATOM 566 NH1 ARG A 39 6.871 -4.822 5.701 1.00 0.00 N ATOM 567 NH2 ARG A 39 9.012 -5.645 5.777 1.00 0.00 N ATOM 0 H ARG A 39 4.068 -4.521 0.781 1.00 0.00 H new ATOM 0 HA ARG A 39 6.295 -5.723 -0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.713 -5.587 1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.343 -4.005 0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.439 -3.884 2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.138 -5.311 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.893 -2.921 2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.837 -2.901 3.936 1.00 0.00 H new ATOM 0 HE ARG A 39 9.279 -4.461 3.605 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.148 -4.280 5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.668 -5.274 6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.939 -5.737 5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.805 -6.096 6.668 1.00 0.00 H new ATOM 581 N ASN A 40 6.089 -7.868 0.671 1.00 0.00 N ATOM 582 CA ASN A 40 5.709 -9.171 1.207 1.00 0.00 C ATOM 583 C ASN A 40 6.180 -9.323 2.650 1.00 0.00 C ATOM 584 O ASN A 40 7.227 -8.800 3.031 1.00 0.00 O ATOM 585 CB ASN A 40 6.299 -10.291 0.346 1.00 0.00 C ATOM 586 CG ASN A 40 6.100 -11.661 0.965 1.00 0.00 C ATOM 587 OD1 ASN A 40 7.064 -12.377 1.236 1.00 0.00 O ATOM 588 ND2 ASN A 40 4.846 -12.032 1.191 1.00 0.00 N ATOM 0 H ASN A 40 6.966 -7.865 0.150 1.00 0.00 H new ATOM 0 HA ASN A 40 4.621 -9.241 1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.836 -10.270 -0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.364 -10.112 0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.651 -12.943 1.605 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.078 -11.406 0.950 1.00 0.00 H new ATOM 595 N SER A 41 5.399 -10.045 3.449 1.00 0.00 N ATOM 596 CA SER A 41 5.733 -10.264 4.851 1.00 0.00 C ATOM 597 C SER A 41 6.373 -11.634 5.049 1.00 0.00 C ATOM 598 O SER A 41 6.116 -12.568 4.289 1.00 0.00 O ATOM 599 CB SER A 41 4.481 -10.142 5.720 1.00 0.00 C ATOM 600 OG SER A 41 4.811 -9.735 7.037 1.00 0.00 O ATOM 0 H SER A 41 4.531 -10.488 3.148 1.00 0.00 H new ATOM 0 HA SER A 41 6.451 -9.501 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.795 -9.422 5.275 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.962 -11.100 5.752 1.00 0.00 H new ATOM 0 HG SER A 41 3.993 -9.663 7.572 1.00 0.00 H new ATOM 657 N MET A 46 0.559 -12.913 5.047 1.00 0.00 N ATOM 658 CA MET A 46 0.434 -11.525 5.479 1.00 0.00 C ATOM 659 C MET A 46 1.089 -10.582 4.475 1.00 0.00 C ATOM 660 O MET A 46 1.984 -10.980 3.728 1.00 0.00 O ATOM 661 CB MET A 46 1.067 -11.339 6.859 1.00 0.00 C ATOM 662 CG MET A 46 0.103 -11.588 8.008 1.00 0.00 C ATOM 663 SD MET A 46 -0.434 -13.307 8.103 1.00 0.00 S ATOM 664 CE MET A 46 -2.099 -13.106 8.734 1.00 0.00 C ATOM 0 HA MET A 46 -0.627 -11.283 5.539 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.916 -12.016 6.955 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.458 -10.324 6.937 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.582 -11.309 8.946 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.769 -10.945 7.891 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.566 -14.085 8.848 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.063 -12.606 9.702 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.682 -12.505 8.037 1.00 0.00 H new ATOM 674 N TYR A 47 0.639 -9.333 4.462 1.00 0.00 N ATOM 675 CA TYR A 47 1.179 -8.334 3.548 1.00 0.00 C ATOM 676 C TYR A 47 1.191 -6.953 4.195 1.00 0.00 C ATOM 677 O TYR A 47 0.363 -6.648 5.053 1.00 0.00 O ATOM 678 CB TYR A 47 0.362 -8.299 2.256 1.00 0.00 C ATOM 679 CG TYR A 47 0.793 -9.331 1.237 1.00 0.00 C ATOM 680 CD1 TYR A 47 1.869 -9.092 0.392 1.00 0.00 C ATOM 681 CD2 TYR A 47 0.125 -10.543 1.121 1.00 0.00 C ATOM 682 CE1 TYR A 47 2.266 -10.030 -0.541 1.00 0.00 C ATOM 683 CE2 TYR A 47 0.517 -11.488 0.194 1.00 0.00 C ATOM 684 CZ TYR A 47 1.587 -11.228 -0.636 1.00 0.00 C ATOM 685 OH TYR A 47 1.979 -12.166 -1.562 1.00 0.00 O ATOM 0 H TYR A 47 -0.099 -8.988 5.075 1.00 0.00 H new ATOM 0 HA TYR A 47 2.206 -8.612 3.312 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.689 -8.456 2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.443 -7.307 1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.404 -8.157 0.466 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.715 -10.750 1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.103 -9.827 -1.193 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.012 -12.427 0.119 1.00 0.00 H new ATOM 0 HH TYR A 47 1.398 -12.952 -1.497 1.00 0.00 H new ATOM 695 N THR A 48 2.136 -6.116 3.774 1.00 0.00 N ATOM 696 CA THR A 48 2.256 -4.767 4.311 1.00 0.00 C ATOM 697 C THR A 48 2.160 -3.724 3.203 1.00 0.00 C ATOM 698 O THR A 48 2.960 -3.720 2.268 1.00 0.00 O ATOM 699 CB THR A 48 3.588 -4.578 5.062 1.00 0.00 C ATOM 700 OG1 THR A 48 3.799 -5.669 5.967 1.00 0.00 O ATOM 701 CG2 THR A 48 3.593 -3.267 5.832 1.00 0.00 C ATOM 0 H THR A 48 2.829 -6.350 3.063 1.00 0.00 H new ATOM 0 HA THR A 48 1.430 -4.630 5.009 1.00 0.00 H new ATOM 0 HB THR A 48 4.394 -4.554 4.328 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.560 -5.467 6.551 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.543 -3.155 6.354 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.461 -2.437 5.138 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.779 -3.268 6.557 1.00 0.00 H new ATOM 709 N VAL A 49 1.173 -2.840 3.314 1.00 0.00 N ATOM 710 CA VAL A 49 0.972 -1.790 2.323 1.00 0.00 C ATOM 711 C VAL A 49 1.428 -0.436 2.855 1.00 0.00 C ATOM 712 O VAL A 49 0.682 0.250 3.554 1.00 0.00 O ATOM 713 CB VAL A 49 -0.506 -1.692 1.901 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.671 -0.700 0.760 1.00 0.00 C ATOM 715 CG2 VAL A 49 -1.040 -3.062 1.508 1.00 0.00 C ATOM 0 H VAL A 49 0.500 -2.831 4.081 1.00 0.00 H new ATOM 0 HA VAL A 49 1.574 -2.056 1.454 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.085 -1.331 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.722 -0.644 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.329 0.284 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.080 -1.028 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.086 -2.974 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.459 -3.453 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.959 -3.741 2.357 1.00 0.00 H new ATOM 725 N SER A 50 2.657 -0.059 2.521 1.00 0.00 N ATOM 726 CA SER A 50 3.215 1.213 2.968 1.00 0.00 C ATOM 727 C SER A 50 3.134 2.260 1.862 1.00 0.00 C ATOM 728 O SER A 50 3.738 2.106 0.799 1.00 0.00 O ATOM 729 CB SER A 50 4.669 1.029 3.408 1.00 0.00 C ATOM 730 OG SER A 50 4.797 -0.060 4.306 1.00 0.00 O ATOM 0 H SER A 50 3.286 -0.615 1.942 1.00 0.00 H new ATOM 0 HA SER A 50 2.627 1.562 3.817 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.298 0.859 2.534 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.026 1.942 3.885 1.00 0.00 H new ATOM 0 HG SER A 50 5.736 -0.157 4.571 1.00 0.00 H new ATOM 736 N LEU A 51 2.386 3.327 2.120 1.00 0.00 N ATOM 737 CA LEU A 51 2.226 4.402 1.147 1.00 0.00 C ATOM 738 C LEU A 51 2.723 5.728 1.714 1.00 0.00 C ATOM 739 O LEU A 51 2.534 6.020 2.894 1.00 0.00 O ATOM 740 CB LEU A 51 0.757 4.528 0.734 1.00 0.00 C ATOM 741 CG LEU A 51 -0.154 5.264 1.717 1.00 0.00 C ATOM 742 CD1 LEU A 51 -0.086 6.765 1.487 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.587 4.767 1.588 1.00 0.00 C ATOM 0 H LEU A 51 1.881 3.471 2.994 1.00 0.00 H new ATOM 0 HA LEU A 51 2.824 4.157 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.713 5.042 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.357 3.526 0.578 1.00 0.00 H new ATOM 0 HG LEU A 51 0.193 5.057 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.741 7.272 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.938 7.109 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.407 6.992 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.222 5.301 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.944 4.944 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.623 3.699 1.804 1.00 0.00 H new ATOM 755 N PHE A 52 3.358 6.527 0.864 1.00 0.00 N ATOM 756 CA PHE A 52 3.881 7.824 1.279 1.00 0.00 C ATOM 757 C PHE A 52 2.834 8.918 1.092 1.00 0.00 C ATOM 758 O PHE A 52 2.397 9.189 -0.026 1.00 0.00 O ATOM 759 CB PHE A 52 5.143 8.167 0.484 1.00 0.00 C ATOM 760 CG PHE A 52 5.504 9.625 0.535 1.00 0.00 C ATOM 761 CD1 PHE A 52 5.006 10.509 -0.407 1.00 0.00 C ATOM 762 CD2 PHE A 52 6.343 10.109 1.526 1.00 0.00 C ATOM 763 CE1 PHE A 52 5.338 11.850 -0.363 1.00 0.00 C ATOM 764 CE2 PHE A 52 6.680 11.449 1.575 1.00 0.00 C ATOM 765 CZ PHE A 52 6.175 12.321 0.630 1.00 0.00 C ATOM 0 H PHE A 52 3.523 6.300 -0.117 1.00 0.00 H new ATOM 0 HA PHE A 52 4.133 7.765 2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.977 7.580 0.870 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.000 7.872 -0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.351 10.147 -1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.738 9.432 2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.943 12.529 -1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.337 11.813 2.351 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.434 13.369 0.667 1.00 0.00 H new ATOM 775 N SER A 53 2.437 9.544 2.196 1.00 0.00 N ATOM 776 CA SER A 53 1.438 10.606 2.156 1.00 0.00 C ATOM 777 C SER A 53 2.066 11.954 2.492 1.00 0.00 C ATOM 778 O SER A 53 3.212 12.026 2.937 1.00 0.00 O ATOM 779 CB SER A 53 0.301 10.302 3.132 1.00 0.00 C ATOM 780 OG SER A 53 -0.847 11.077 2.834 1.00 0.00 O ATOM 0 H SER A 53 2.792 9.334 3.129 1.00 0.00 H new ATOM 0 HA SER A 53 1.035 10.655 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.051 9.242 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.628 10.507 4.151 1.00 0.00 H new ATOM 0 HG SER A 53 -1.560 10.863 3.471 1.00 0.00 H new ATOM 786 N LYS A 54 1.307 13.024 2.276 1.00 0.00 N ATOM 787 CA LYS A 54 1.786 14.372 2.558 1.00 0.00 C ATOM 788 C LYS A 54 0.798 15.128 3.439 1.00 0.00 C ATOM 789 O LYS A 54 -0.415 14.974 3.302 1.00 0.00 O ATOM 790 CB LYS A 54 2.009 15.138 1.251 1.00 0.00 C ATOM 791 CG LYS A 54 2.411 16.588 1.458 1.00 0.00 C ATOM 792 CD LYS A 54 3.894 16.718 1.764 1.00 0.00 C ATOM 793 CE LYS A 54 4.386 18.140 1.542 1.00 0.00 C ATOM 794 NZ LYS A 54 4.561 18.447 0.094 1.00 0.00 N ATOM 0 H LYS A 54 0.357 12.983 1.906 1.00 0.00 H new ATOM 0 HA LYS A 54 2.733 14.290 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.783 14.634 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.094 15.104 0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.171 17.164 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.831 17.014 2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.081 16.424 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.459 16.033 1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.676 18.842 1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.334 18.281 2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.024 19.372 -0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.151 17.713 -0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.631 18.470 -0.371 1.00 0.00 H new ATOM 904 N GLY A 61 6.796 15.325 4.235 1.00 0.00 N ATOM 905 CA GLY A 61 5.778 14.316 4.014 1.00 0.00 C ATOM 906 C GLY A 61 5.689 13.322 5.155 1.00 0.00 C ATOM 907 O GLY A 61 6.020 13.644 6.297 1.00 0.00 O ATOM 0 HA2 GLY A 61 4.811 14.802 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.994 13.783 3.088 1.00 0.00 H new ATOM 911 N THR A 62 5.240 12.109 4.849 1.00 0.00 N ATOM 912 CA THR A 62 5.106 11.066 5.858 1.00 0.00 C ATOM 913 C THR A 62 4.808 9.715 5.216 1.00 0.00 C ATOM 914 O THR A 62 4.231 9.647 4.131 1.00 0.00 O ATOM 915 CB THR A 62 3.991 11.399 6.867 1.00 0.00 C ATOM 916 OG1 THR A 62 4.059 10.508 7.985 1.00 0.00 O ATOM 917 CG2 THR A 62 2.622 11.298 6.213 1.00 0.00 C ATOM 0 H THR A 62 4.963 11.825 3.910 1.00 0.00 H new ATOM 0 HA THR A 62 6.058 11.013 6.385 1.00 0.00 H new ATOM 0 HB THR A 62 4.137 12.423 7.211 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.348 10.728 8.622 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.851 11.537 6.945 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.563 12.000 5.381 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.469 10.284 5.843 1.00 0.00 H new ATOM 925 N VAL A 63 5.202 8.643 5.895 1.00 0.00 N ATOM 926 CA VAL A 63 4.976 7.294 5.391 1.00 0.00 C ATOM 927 C VAL A 63 4.117 6.485 6.357 1.00 0.00 C ATOM 928 O VAL A 63 4.525 6.205 7.484 1.00 0.00 O ATOM 929 CB VAL A 63 6.305 6.550 5.157 1.00 0.00 C ATOM 930 CG1 VAL A 63 6.055 5.212 4.479 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.254 7.406 4.333 1.00 0.00 C ATOM 0 H VAL A 63 5.679 8.682 6.796 1.00 0.00 H new ATOM 0 HA VAL A 63 4.454 7.395 4.440 1.00 0.00 H new ATOM 0 HB VAL A 63 6.771 6.358 6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.005 4.701 4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.413 4.598 5.111 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.568 5.377 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.188 6.866 4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.798 7.629 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.457 8.337 4.863 1.00 0.00 H new ATOM 941 N LYS A 64 2.924 6.109 5.907 1.00 0.00 N ATOM 942 CA LYS A 64 2.007 5.329 6.730 1.00 0.00 C ATOM 943 C LYS A 64 2.062 3.852 6.356 1.00 0.00 C ATOM 944 O LYS A 64 1.839 3.484 5.202 1.00 0.00 O ATOM 945 CB LYS A 64 0.578 5.854 6.571 1.00 0.00 C ATOM 946 CG LYS A 64 0.379 7.254 7.124 1.00 0.00 C ATOM 947 CD LYS A 64 -0.767 7.970 6.429 1.00 0.00 C ATOM 948 CE LYS A 64 -0.799 9.448 6.786 1.00 0.00 C ATOM 949 NZ LYS A 64 -2.021 10.119 6.263 1.00 0.00 N ATOM 0 H LYS A 64 2.570 6.332 4.977 1.00 0.00 H new ATOM 0 HA LYS A 64 2.313 5.433 7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.314 5.849 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.108 5.173 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.179 7.199 8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.297 7.829 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.666 7.857 5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.712 7.506 6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.758 9.561 7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.086 9.939 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.005 11.125 6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.047 10.034 5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.866 9.668 6.669 1.00 0.00 H new ATOM 963 N HIS A 65 2.360 3.008 7.339 1.00 0.00 N ATOM 964 CA HIS A 65 2.443 1.569 7.112 1.00 0.00 C ATOM 965 C HIS A 65 1.163 0.873 7.567 1.00 0.00 C ATOM 966 O HIS A 65 0.673 1.114 8.671 1.00 0.00 O ATOM 967 CB HIS A 65 3.646 0.984 7.851 1.00 0.00 C ATOM 968 CG HIS A 65 3.344 0.581 9.262 1.00 0.00 C ATOM 969 ND1 HIS A 65 2.844 -0.658 9.601 1.00 0.00 N ATOM 970 CD2 HIS A 65 3.477 1.263 10.425 1.00 0.00 C ATOM 971 CE1 HIS A 65 2.680 -0.721 10.911 1.00 0.00 C ATOM 972 NE2 HIS A 65 3.057 0.431 11.434 1.00 0.00 N ATOM 0 H HIS A 65 2.548 3.295 8.300 1.00 0.00 H new ATOM 0 HA HIS A 65 2.567 1.401 6.042 1.00 0.00 H new ATOM 0 HB2 HIS A 65 4.011 0.115 7.304 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.451 1.719 7.856 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.845 2.272 10.538 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.302 -1.571 11.460 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.039 0.665 12.427 1.00 0.00 H new ATOM 981 N TYR A 66 0.628 0.011 6.710 1.00 0.00 N ATOM 982 CA TYR A 66 -0.596 -0.717 7.023 1.00 0.00 C ATOM 983 C TYR A 66 -0.374 -2.223 6.925 1.00 0.00 C ATOM 984 O TYR A 66 0.377 -2.698 6.072 1.00 0.00 O ATOM 985 CB TYR A 66 -1.721 -0.294 6.077 1.00 0.00 C ATOM 986 CG TYR A 66 -2.093 1.167 6.193 1.00 0.00 C ATOM 987 CD1 TYR A 66 -2.878 1.623 7.244 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.660 2.091 5.250 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.221 2.957 7.354 1.00 0.00 C ATOM 990 CE2 TYR A 66 -1.996 3.427 5.352 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.777 3.854 6.406 1.00 0.00 C ATOM 992 OH TYR A 66 -3.116 5.185 6.511 1.00 0.00 O ATOM 0 H TYR A 66 1.022 -0.201 5.793 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.881 -0.476 8.047 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.419 -0.503 5.051 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.603 -0.902 6.280 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.227 0.923 7.989 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.050 1.759 4.423 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.833 3.295 8.177 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.650 4.133 4.611 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.723 5.683 5.764 1.00 0.00 H new ATOM 1002 N HIS A 67 -1.033 -2.970 7.806 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.909 -4.423 7.819 1.00 0.00 C ATOM 1004 C HIS A 67 -2.212 -5.084 7.375 1.00 0.00 C ATOM 1005 O HIS A 67 -3.281 -4.798 7.915 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.529 -4.911 9.218 1.00 0.00 C ATOM 1007 CG HIS A 67 0.093 -6.273 9.229 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -0.177 -7.216 10.197 1.00 0.00 N ATOM 1009 CD2 HIS A 67 0.977 -6.849 8.380 1.00 0.00 C ATOM 1010 CE1 HIS A 67 0.514 -8.313 9.946 1.00 0.00 C ATOM 1011 NE2 HIS A 67 1.222 -8.117 8.848 1.00 0.00 N ATOM 0 H HIS A 67 -1.657 -2.593 8.519 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.122 -4.702 7.118 1.00 0.00 H new ATOM 0 HB2 HIS A 67 0.165 -4.200 9.666 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.421 -4.923 9.844 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -0.812 -7.087 10.985 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.409 -6.396 7.500 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.502 -9.216 10.538 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.114 -5.967 6.386 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.283 -6.668 5.869 1.00 0.00 C ATOM 1022 C VAL A 68 -3.753 -7.744 6.841 1.00 0.00 C ATOM 1023 O VAL A 68 -3.129 -8.799 6.966 1.00 0.00 O ATOM 1024 CB VAL A 68 -2.989 -7.317 4.504 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -4.176 -8.150 4.042 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -2.641 -6.254 3.473 1.00 0.00 C ATOM 0 H VAL A 68 -1.237 -6.214 5.927 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.070 -5.924 5.747 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.131 -7.980 4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.950 -8.601 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.375 -8.935 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.054 -7.511 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.436 -6.730 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.478 -5.565 3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.759 -5.704 3.801 1.00 0.00 H new ATOM 1036 N HIS A 69 -4.858 -7.472 7.529 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.412 -8.419 8.489 1.00 0.00 C ATOM 1038 C HIS A 69 -6.316 -9.433 7.794 1.00 0.00 C ATOM 1039 O HIS A 69 -6.886 -9.151 6.738 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.197 -7.678 9.573 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.337 -6.839 10.468 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -4.291 -7.355 11.204 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -5.371 -5.514 10.742 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -3.719 -6.383 11.893 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -4.356 -5.256 11.630 1.00 0.00 N ATOM 0 H HIS A 69 -5.386 -6.604 7.439 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.583 -8.955 8.952 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.943 -7.041 9.098 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.738 -8.405 10.179 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.067 -4.794 10.338 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.875 -6.492 12.558 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.130 -4.342 12.023 1.00 0.00 H new ATOM 1054 N THR A 70 -6.444 -10.612 8.392 1.00 0.00 N ATOM 1055 CA THR A 70 -7.277 -11.668 7.830 1.00 0.00 C ATOM 1056 C THR A 70 -8.503 -11.923 8.699 1.00 0.00 C ATOM 1057 O THR A 70 -8.433 -11.847 9.925 1.00 0.00 O ATOM 1058 CB THR A 70 -6.489 -12.983 7.674 1.00 0.00 C ATOM 1059 OG1 THR A 70 -5.278 -12.745 6.949 1.00 0.00 O ATOM 1060 CG2 THR A 70 -7.322 -14.031 6.952 1.00 0.00 C ATOM 0 H THR A 70 -5.981 -10.860 9.266 1.00 0.00 H new ATOM 0 HA THR A 70 -7.598 -11.327 6.846 1.00 0.00 H new ATOM 0 HB THR A 70 -6.248 -13.357 8.669 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.782 -13.585 6.856 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.745 -14.950 6.854 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.229 -14.231 7.523 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.590 -13.663 5.962 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.626 -12.227 8.056 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.868 -12.494 8.771 1.00 0.00 C ATOM 1070 C ASN A 71 -11.009 -13.982 9.082 1.00 0.00 C ATOM 1071 O ASN A 71 -10.102 -14.770 8.815 1.00 0.00 O ATOM 1072 CB ASN A 71 -12.068 -12.018 7.949 1.00 0.00 C ATOM 1073 CG ASN A 71 -13.245 -11.626 8.820 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -13.195 -11.746 10.044 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -14.315 -11.152 8.190 1.00 0.00 N ATOM 0 H ASN A 71 -9.701 -12.294 7.041 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.840 -11.945 9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.771 -11.165 7.338 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.373 -12.810 7.265 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.138 -10.871 8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.313 -11.069 7.173 1.00 0.00 H new ATOM 1082 N ALA A 72 -12.153 -14.358 9.645 1.00 0.00 N ATOM 1083 CA ALA A 72 -12.413 -15.749 9.988 1.00 0.00 C ATOM 1084 C ALA A 72 -12.453 -16.625 8.740 1.00 0.00 C ATOM 1085 O ALA A 72 -12.023 -17.778 8.766 1.00 0.00 O ATOM 1086 CB ALA A 72 -13.720 -15.867 10.759 1.00 0.00 C ATOM 0 H ALA A 72 -12.914 -13.718 9.873 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.597 -16.100 10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.902 -16.912 11.009 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.656 -15.281 11.676 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.539 -15.493 10.145 1.00 0.00 H new ATOM 1092 N GLU A 73 -12.972 -16.069 7.649 1.00 0.00 N ATOM 1093 CA GLU A 73 -13.069 -16.802 6.392 1.00 0.00 C ATOM 1094 C GLU A 73 -11.843 -16.549 5.519 1.00 0.00 C ATOM 1095 O GLU A 73 -11.932 -16.546 4.292 1.00 0.00 O ATOM 1096 CB GLU A 73 -14.338 -16.399 5.637 1.00 0.00 C ATOM 1097 CG GLU A 73 -15.578 -17.155 6.085 1.00 0.00 C ATOM 1098 CD GLU A 73 -15.656 -18.548 5.491 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -14.879 -19.424 5.924 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -16.498 -18.763 4.593 1.00 0.00 O ATOM 0 H GLU A 73 -13.331 -15.115 7.611 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.116 -17.866 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.506 -15.330 5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.185 -16.567 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.583 -17.227 7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.466 -16.591 5.799 1.00 0.00 H new ATOM 1107 N ASN A 74 -10.700 -16.334 6.163 1.00 0.00 N ATOM 1108 CA ASN A 74 -9.455 -16.079 5.446 1.00 0.00 C ATOM 1109 C ASN A 74 -9.608 -14.893 4.497 1.00 0.00 C ATOM 1110 O ASN A 74 -9.005 -14.861 3.424 1.00 0.00 O ATOM 1111 CB ASN A 74 -9.030 -17.322 4.662 1.00 0.00 C ATOM 1112 CG ASN A 74 -7.535 -17.360 4.406 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -7.043 -16.755 3.452 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -6.807 -18.071 5.257 1.00 0.00 N ATOM 0 H ASN A 74 -10.610 -16.331 7.179 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.685 -15.839 6.179 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -9.324 -18.215 5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.560 -17.347 3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.796 -18.133 5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.258 -18.556 6.033 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.417 -13.920 4.901 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.649 -12.731 4.090 1.00 0.00 C ATOM 1123 C LYS A 75 -9.641 -11.638 4.428 1.00 0.00 C ATOM 1124 O LYS A 75 -9.530 -11.216 5.580 1.00 0.00 O ATOM 1125 CB LYS A 75 -12.073 -12.211 4.304 1.00 0.00 C ATOM 1126 CG LYS A 75 -13.134 -13.039 3.600 1.00 0.00 C ATOM 1127 CD LYS A 75 -14.346 -12.197 3.236 1.00 0.00 C ATOM 1128 CE LYS A 75 -15.591 -13.055 3.074 1.00 0.00 C ATOM 1129 NZ LYS A 75 -16.801 -12.230 2.802 1.00 0.00 N ATOM 0 H LYS A 75 -10.924 -13.932 5.786 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.524 -13.006 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.288 -12.193 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.132 -11.182 3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.712 -13.481 2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.442 -13.862 4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.516 -11.449 4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.151 -11.658 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.442 -13.761 2.257 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.748 -13.642 3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.629 -12.851 2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.958 -11.573 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.662 -11.689 1.925 1.00 0.00 H new ATOM 1143 N LEU A 76 -8.910 -11.181 3.418 1.00 0.00 N ATOM 1144 CA LEU A 76 -7.911 -10.134 3.608 1.00 0.00 C ATOM 1145 C LEU A 76 -8.527 -8.753 3.415 1.00 0.00 C ATOM 1146 O LEU A 76 -9.415 -8.568 2.582 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.749 -10.327 2.631 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.408 -11.774 2.271 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.607 -11.828 0.980 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -5.641 -12.439 3.405 1.00 0.00 C ATOM 0 H LEU A 76 -8.990 -11.518 2.459 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.536 -10.205 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.981 -9.790 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.861 -9.861 3.057 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.339 -12.320 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.374 -12.865 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.192 -11.391 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.681 -11.267 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.407 -13.468 3.132 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.716 -11.893 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.250 -12.434 4.309 1.00 0.00 H new ATOM 1162 N TYR A 77 -8.049 -7.784 4.189 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.554 -6.419 4.104 1.00 0.00 C ATOM 1164 C TYR A 77 -7.626 -5.449 4.830 1.00 0.00 C ATOM 1165 O TYR A 77 -6.806 -5.855 5.655 1.00 0.00 O ATOM 1166 CB TYR A 77 -9.961 -6.335 4.696 1.00 0.00 C ATOM 1167 CG TYR A 77 -10.040 -6.788 6.137 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -10.139 -8.136 6.457 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -10.016 -5.867 7.177 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -10.212 -8.554 7.772 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -10.087 -6.276 8.494 1.00 0.00 C ATOM 1172 CZ TYR A 77 -10.186 -7.621 8.787 1.00 0.00 C ATOM 1173 OH TYR A 77 -10.257 -8.032 10.098 1.00 0.00 O ATOM 0 H TYR A 77 -7.313 -7.919 4.882 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.593 -6.138 3.052 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.314 -5.306 4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.636 -6.944 4.095 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.159 -8.870 5.665 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.941 -4.813 6.952 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.289 -9.606 8.004 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.065 -5.547 9.291 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.225 -7.250 10.688 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.761 -4.165 4.517 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.936 -3.135 5.138 1.00 0.00 C ATOM 1185 C LEU A 78 -7.744 -2.327 6.149 1.00 0.00 C ATOM 1186 O LEU A 78 -7.194 -1.790 7.110 1.00 0.00 O ATOM 1187 CB LEU A 78 -6.355 -2.205 4.071 1.00 0.00 C ATOM 1188 CG LEU A 78 -5.090 -2.698 3.368 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.758 -1.808 2.181 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -3.923 -2.746 4.343 1.00 0.00 C ATOM 0 H LEU A 78 -8.434 -3.812 3.837 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.118 -3.628 5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.121 -2.028 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.137 -1.243 4.535 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.272 -3.708 2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.855 -2.174 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.585 -1.824 1.472 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.595 -0.787 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.031 -3.099 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.740 -1.748 4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.160 -3.425 5.162 1.00 0.00 H new ATOM 1202 N ALA A 79 -9.051 -2.247 5.924 1.00 0.00 N ATOM 1203 CA ALA A 79 -9.935 -1.508 6.818 1.00 0.00 C ATOM 1204 C ALA A 79 -10.977 -2.428 7.443 1.00 0.00 C ATOM 1205 O ALA A 79 -11.681 -3.152 6.740 1.00 0.00 O ATOM 1206 CB ALA A 79 -10.614 -0.372 6.066 1.00 0.00 C ATOM 0 H ALA A 79 -9.521 -2.684 5.131 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.331 -1.088 7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.271 0.172 6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.858 0.307 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.200 -0.780 5.242 1.00 0.00 H new ATOM 1212 N GLU A 80 -11.070 -2.395 8.769 1.00 0.00 N ATOM 1213 CA GLU A 80 -12.026 -3.229 9.489 1.00 0.00 C ATOM 1214 C GLU A 80 -13.439 -3.025 8.949 1.00 0.00 C ATOM 1215 O GLU A 80 -14.276 -3.925 9.016 1.00 0.00 O ATOM 1216 CB GLU A 80 -11.989 -2.911 10.985 1.00 0.00 C ATOM 1217 CG GLU A 80 -12.780 -3.889 11.835 1.00 0.00 C ATOM 1218 CD GLU A 80 -12.764 -3.529 13.307 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -11.842 -3.977 14.019 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -13.676 -2.797 13.748 1.00 0.00 O ATOM 0 H GLU A 80 -10.495 -1.800 9.366 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.745 -4.272 9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.952 -2.907 11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.380 -1.906 11.144 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.811 -3.918 11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.370 -4.891 11.705 1.00 0.00 H new ATOM 1227 N ASN A 81 -13.696 -1.836 8.414 1.00 0.00 N ATOM 1228 CA ASN A 81 -15.008 -1.513 7.864 1.00 0.00 C ATOM 1229 C ASN A 81 -15.087 -1.891 6.387 1.00 0.00 C ATOM 1230 O ASN A 81 -15.913 -1.363 5.644 1.00 0.00 O ATOM 1231 CB ASN A 81 -15.304 -0.022 8.035 1.00 0.00 C ATOM 1232 CG ASN A 81 -15.331 0.398 9.493 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -15.219 -0.435 10.392 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -15.480 1.696 9.731 1.00 0.00 N ATOM 0 H ASN A 81 -13.014 -1.080 8.349 1.00 0.00 H new ATOM 0 HA ASN A 81 -15.754 -2.090 8.410 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -14.548 0.559 7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -16.264 0.210 7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -15.505 2.039 10.691 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -15.569 2.350 8.953 1.00 0.00 H new ATOM 1241 N TYR A 82 -14.223 -2.811 5.972 1.00 0.00 N ATOM 1242 CA TYR A 82 -14.193 -3.260 4.585 1.00 0.00 C ATOM 1243 C TYR A 82 -13.733 -4.711 4.492 1.00 0.00 C ATOM 1244 O TYR A 82 -13.169 -5.257 5.441 1.00 0.00 O ATOM 1245 CB TYR A 82 -13.269 -2.365 3.757 1.00 0.00 C ATOM 1246 CG TYR A 82 -13.899 -1.050 3.355 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -14.704 -0.960 2.227 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -13.688 0.101 4.104 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -15.280 0.239 1.856 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -14.261 1.303 3.740 1.00 0.00 C ATOM 1251 CZ TYR A 82 -15.056 1.368 2.615 1.00 0.00 C ATOM 1252 OH TYR A 82 -15.629 2.564 2.250 1.00 0.00 O ATOM 0 H TYR A 82 -13.535 -3.260 6.576 1.00 0.00 H new ATOM 0 HA TYR A 82 -15.205 -3.193 4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.363 -2.164 4.329 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.966 -2.903 2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.883 -1.842 1.630 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.066 0.055 4.985 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -15.903 0.292 0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.087 2.188 4.334 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.372 3.259 2.891 1.00 0.00 H new ATOM 1262 N CYS A 83 -13.976 -5.329 3.341 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.587 -6.718 3.122 1.00 0.00 C ATOM 1264 C CYS A 83 -13.285 -6.971 1.648 1.00 0.00 C ATOM 1265 O CYS A 83 -13.897 -6.369 0.766 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.693 -7.660 3.598 1.00 0.00 C ATOM 1267 SG CYS A 83 -16.229 -7.532 2.653 1.00 0.00 S ATOM 0 H CYS A 83 -14.440 -4.891 2.546 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.682 -6.912 3.698 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -14.330 -8.686 3.543 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.906 -7.453 4.647 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.983 -6.992 1.496 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.336 -7.865 1.390 1.00 0.00 N ATOM 1274 CA PHE A 84 -11.951 -8.197 0.023 1.00 0.00 C ATOM 1275 C PHE A 84 -11.656 -9.688 -0.112 1.00 0.00 C ATOM 1276 O PHE A 84 -11.846 -10.457 0.831 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.724 -7.384 -0.394 1.00 0.00 C ATOM 1278 CG PHE A 84 -11.019 -5.931 -0.634 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -11.506 -5.502 -1.859 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -10.811 -4.994 0.365 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -11.780 -4.166 -2.082 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -11.083 -3.657 0.148 1.00 0.00 C ATOM 1283 CZ PHE A 84 -11.567 -3.242 -1.077 1.00 0.00 C ATOM 0 H PHE A 84 -11.820 -8.372 2.109 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.785 -7.948 -0.634 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.962 -7.468 0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.304 -7.816 -1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.673 -6.220 -2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.432 -5.312 1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -12.160 -3.845 -3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.917 -2.937 0.936 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.779 -2.197 -1.249 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.196 -10.089 -1.291 1.00 0.00 N ATOM 1294 CA ASP A 85 -10.876 -11.488 -1.551 1.00 0.00 C ATOM 1295 C ASP A 85 -9.368 -11.687 -1.668 1.00 0.00 C ATOM 1296 O ASP A 85 -8.827 -12.692 -1.205 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.566 -11.962 -2.832 1.00 0.00 C ATOM 1298 CG ASP A 85 -12.946 -12.532 -2.568 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -13.105 -13.260 -1.566 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -13.867 -12.251 -3.364 1.00 0.00 O ATOM 0 H ASP A 85 -11.036 -9.466 -2.082 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.239 -12.081 -0.711 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.648 -11.127 -3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.949 -12.720 -3.315 1.00 0.00 H new ATOM 1305 N SER A 86 -8.695 -10.725 -2.292 1.00 0.00 N ATOM 1306 CA SER A 86 -7.250 -10.798 -2.473 1.00 0.00 C ATOM 1307 C SER A 86 -6.594 -9.458 -2.154 1.00 0.00 C ATOM 1308 O SER A 86 -7.277 -8.449 -1.971 1.00 0.00 O ATOM 1309 CB SER A 86 -6.916 -11.213 -3.908 1.00 0.00 C ATOM 1310 OG SER A 86 -7.930 -12.043 -4.448 1.00 0.00 O ATOM 0 H SER A 86 -9.127 -9.887 -2.680 1.00 0.00 H new ATOM 0 HA SER A 86 -6.859 -11.547 -1.784 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.800 -10.325 -4.529 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.962 -11.741 -3.925 1.00 0.00 H new ATOM 0 HG SER A 86 -7.694 -12.293 -5.366 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.267 -9.456 -2.089 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.519 -8.241 -1.792 1.00 0.00 C ATOM 1318 C ILE A 87 -4.643 -7.229 -2.926 1.00 0.00 C ATOM 1319 O ILE A 87 -5.066 -6.089 -2.731 1.00 0.00 O ATOM 1320 CB ILE A 87 -3.028 -8.543 -1.550 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.783 -8.856 -0.072 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -2.170 -7.370 -1.999 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -3.048 -10.299 0.293 1.00 0.00 C ATOM 0 H ILE A 87 -4.688 -10.282 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.948 -7.820 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.749 -9.417 -2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.750 -8.611 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.419 -8.213 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.119 -7.599 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.328 -7.190 -3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.448 -6.479 -1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.854 -10.447 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.088 -10.544 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.394 -10.948 -0.290 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.267 -7.653 -4.142 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.329 -6.799 -5.332 1.00 0.00 C ATOM 1337 C PRO A 88 -5.763 -6.515 -5.768 1.00 0.00 C ATOM 1338 O PRO A 88 -5.998 -5.771 -6.720 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.601 -7.623 -6.398 1.00 0.00 C ATOM 1340 CG PRO A 88 -3.751 -9.037 -5.951 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.754 -8.999 -4.448 1.00 0.00 C ATOM 0 HA PRO A 88 -3.886 -5.819 -5.154 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.040 -7.471 -7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.551 -7.339 -6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.676 -9.471 -6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.933 -9.653 -6.324 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.391 -9.777 -4.028 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.755 -9.151 -4.040 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.719 -7.111 -5.064 1.00 0.00 N ATOM 1350 CA LYS A 89 -8.131 -6.921 -5.375 1.00 0.00 C ATOM 1351 C LYS A 89 -8.711 -5.758 -4.577 1.00 0.00 C ATOM 1352 O LYS A 89 -9.781 -5.240 -4.903 1.00 0.00 O ATOM 1353 CB LYS A 89 -8.917 -8.200 -5.079 1.00 0.00 C ATOM 1354 CG LYS A 89 -10.312 -8.210 -5.680 1.00 0.00 C ATOM 1355 CD LYS A 89 -10.830 -9.627 -5.864 1.00 0.00 C ATOM 1356 CE LYS A 89 -10.454 -10.184 -7.228 1.00 0.00 C ATOM 1357 NZ LYS A 89 -10.679 -11.655 -7.307 1.00 0.00 N ATOM 0 H LYS A 89 -6.542 -7.730 -4.273 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.216 -6.689 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.360 -9.055 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.995 -8.327 -3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.992 -7.654 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.298 -7.699 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.423 -10.269 -5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.914 -9.637 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.041 -9.685 -7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.406 -9.965 -7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.411 -11.997 -8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.100 -12.134 -6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.684 -11.862 -7.136 1.00 0.00 H new ATOM 1371 N LEU A 90 -8.001 -5.352 -3.530 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.447 -4.248 -2.685 1.00 0.00 C ATOM 1373 C LEU A 90 -7.877 -2.921 -3.179 1.00 0.00 C ATOM 1374 O LEU A 90 -8.534 -1.884 -3.093 1.00 0.00 O ATOM 1375 CB LEU A 90 -8.026 -4.490 -1.235 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.885 -3.243 -0.361 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -8.196 -3.570 1.092 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.486 -2.656 -0.490 1.00 0.00 C ATOM 0 H LEU A 90 -7.115 -5.770 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.535 -4.197 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.756 -5.154 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.072 -5.017 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.603 -2.499 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.090 -2.670 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.217 -3.942 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.503 -4.332 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.404 -1.769 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.751 -3.395 -0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.301 -2.383 -1.529 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.654 -2.965 -3.695 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.998 -1.766 -4.205 1.00 0.00 C ATOM 1392 C ILE A 91 -6.668 -1.275 -5.484 1.00 0.00 C ATOM 1393 O ILE A 91 -7.003 -0.097 -5.608 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.505 -2.018 -4.484 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.750 -2.243 -3.173 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.906 -0.849 -5.252 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.852 -3.660 -2.652 1.00 0.00 C ATOM 0 H ILE A 91 -6.097 -3.816 -3.771 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.091 -1.002 -3.433 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.411 -2.916 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.699 -1.994 -3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -4.137 -1.558 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.850 -1.041 -5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.430 -0.730 -6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.009 0.063 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.293 -3.746 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.898 -3.907 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.438 -4.349 -3.388 1.00 0.00 H new ATOM 1409 N HIS A 92 -6.861 -2.187 -6.432 1.00 0.00 N ATOM 1410 CA HIS A 92 -7.493 -1.847 -7.701 1.00 0.00 C ATOM 1411 C HIS A 92 -8.597 -0.813 -7.500 1.00 0.00 C ATOM 1412 O HIS A 92 -8.770 0.093 -8.316 1.00 0.00 O ATOM 1413 CB HIS A 92 -8.069 -3.100 -8.360 1.00 0.00 C ATOM 1414 CG HIS A 92 -8.261 -2.966 -9.839 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -9.332 -3.516 -10.512 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -7.513 -2.336 -10.776 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -9.234 -3.231 -11.798 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -8.139 -2.516 -11.985 1.00 0.00 N ATOM 0 H HIS A 92 -6.589 -3.166 -6.345 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.732 -1.418 -8.353 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.405 -3.942 -8.163 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.028 -3.335 -7.898 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.595 -1.793 -10.604 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.931 -3.532 -12.566 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.812 -2.156 -12.882 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.340 -0.954 -6.407 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.429 -0.033 -6.101 1.00 0.00 C ATOM 1429 C TYR A 93 -9.887 1.310 -5.620 1.00 0.00 C ATOM 1430 O TYR A 93 -10.311 2.367 -6.089 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.348 -0.635 -5.036 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.419 -1.539 -5.603 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -13.571 -1.012 -6.173 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -12.279 -2.921 -5.569 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -14.553 -1.834 -6.691 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -13.255 -3.751 -6.086 1.00 0.00 C ATOM 1437 CZ TYR A 93 -14.390 -3.203 -6.646 1.00 0.00 C ATOM 1438 OH TYR A 93 -15.365 -4.025 -7.163 1.00 0.00 O ATOM 0 H TYR A 93 -9.208 -1.696 -5.719 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.000 0.132 -7.015 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.745 -1.201 -4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.823 0.173 -4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.701 0.059 -6.212 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.392 -3.354 -5.131 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.443 -1.407 -7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.130 -4.823 -6.052 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.096 -4.961 -7.054 1.00 0.00 H new ATOM 1448 N HIS A 94 -8.947 1.260 -4.681 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.346 2.472 -4.137 1.00 0.00 C ATOM 1450 C HIS A 94 -7.822 3.368 -5.255 1.00 0.00 C ATOM 1451 O HIS A 94 -8.085 4.570 -5.275 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.210 2.116 -3.178 1.00 0.00 C ATOM 1453 CG HIS A 94 -7.680 1.734 -1.808 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -8.155 2.649 -0.892 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -7.748 0.526 -1.201 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -8.493 2.021 0.220 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -8.257 0.731 0.059 1.00 0.00 N ATOM 0 H HIS A 94 -8.586 0.394 -4.282 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.116 3.016 -3.590 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.635 1.291 -3.599 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.534 2.967 -3.097 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -7.456 -0.422 -1.628 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.894 2.484 1.110 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -8.425 0.006 0.756 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.077 2.774 -6.182 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.515 3.519 -7.303 1.00 0.00 C ATOM 1468 C GLN A 95 -7.495 4.576 -7.799 1.00 0.00 C ATOM 1469 O GLN A 95 -7.112 5.717 -8.066 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.149 2.568 -8.443 1.00 0.00 C ATOM 1471 CG GLN A 95 -4.776 1.935 -8.291 1.00 0.00 C ATOM 1472 CD GLN A 95 -4.276 1.311 -9.579 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -3.349 1.819 -10.210 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -4.888 0.201 -9.976 1.00 0.00 N ATOM 0 H GLN A 95 -6.849 1.780 -6.179 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.612 4.022 -6.957 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.899 1.779 -8.502 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.186 3.114 -9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.066 2.692 -7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.816 1.172 -7.513 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.652 -0.186 -9.422 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.594 -0.264 -10.835 1.00 0.00 H new ATOM 1483 N HIS A 96 -8.761 4.190 -7.924 1.00 0.00 N ATOM 1484 CA HIS A 96 -9.797 5.106 -8.389 1.00 0.00 C ATOM 1485 C HIS A 96 -10.490 5.787 -7.213 1.00 0.00 C ATOM 1486 O HIS A 96 -10.342 6.989 -7.003 1.00 0.00 O ATOM 1487 CB HIS A 96 -10.825 4.357 -9.238 1.00 0.00 C ATOM 1488 CG HIS A 96 -10.214 3.534 -10.330 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -10.626 2.252 -10.626 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -9.218 3.817 -11.200 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -9.908 1.781 -11.630 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -9.046 2.712 -11.997 1.00 0.00 N ATOM 0 H HIS A 96 -9.094 3.250 -7.710 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.321 5.873 -9.000 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.414 3.707 -8.591 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.514 5.077 -9.679 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.661 4.741 -11.257 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.009 0.802 -12.075 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -8.364 2.624 -12.750 1.00 0.00 H new ATOM 1501 N ASN A 97 -11.248 5.007 -6.448 1.00 0.00 N ATOM 1502 CA ASN A 97 -11.966 5.535 -5.293 1.00 0.00 C ATOM 1503 C ASN A 97 -11.390 4.979 -3.994 1.00 0.00 C ATOM 1504 O ASN A 97 -11.309 3.765 -3.808 1.00 0.00 O ATOM 1505 CB ASN A 97 -13.454 5.193 -5.391 1.00 0.00 C ATOM 1506 CG ASN A 97 -14.011 5.428 -6.782 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -14.602 6.472 -7.059 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -13.824 4.454 -7.666 1.00 0.00 N ATOM 0 H ASN A 97 -11.381 4.008 -6.607 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.849 6.619 -5.288 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.603 4.149 -5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.011 5.796 -4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.176 4.555 -8.618 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.328 3.605 -7.393 1.00 0.00 H new ATOM 1515 N SER A 98 -10.990 5.876 -3.099 1.00 0.00 N ATOM 1516 CA SER A 98 -10.420 5.476 -1.818 1.00 0.00 C ATOM 1517 C SER A 98 -11.500 4.935 -0.886 1.00 0.00 C ATOM 1518 O SER A 98 -12.683 5.228 -1.053 1.00 0.00 O ATOM 1519 CB SER A 98 -9.709 6.661 -1.160 1.00 0.00 C ATOM 1520 OG SER A 98 -10.642 7.631 -0.715 1.00 0.00 O ATOM 0 H SER A 98 -11.050 6.885 -3.237 1.00 0.00 H new ATOM 0 HA SER A 98 -9.695 4.683 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.114 6.310 -0.317 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.018 7.115 -1.870 1.00 0.00 H new ATOM 0 HG SER A 98 -10.164 8.377 -0.297 1.00 0.00 H new ATOM 1526 N ALA A 99 -11.082 4.141 0.095 1.00 0.00 N ATOM 1527 CA ALA A 99 -12.012 3.560 1.055 1.00 0.00 C ATOM 1528 C ALA A 99 -11.608 3.901 2.486 1.00 0.00 C ATOM 1529 O ALA A 99 -10.426 3.901 2.824 1.00 0.00 O ATOM 1530 CB ALA A 99 -12.086 2.052 0.871 1.00 0.00 C ATOM 0 H ALA A 99 -10.106 3.886 0.245 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.998 3.986 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.784 1.631 1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.429 1.825 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.098 1.618 1.025 1.00 0.00 H new ATOM 1536 N GLY A 100 -12.601 4.190 3.323 1.00 0.00 N ATOM 1537 CA GLY A 100 -12.328 4.530 4.707 1.00 0.00 C ATOM 1538 C GLY A 100 -11.227 5.562 4.845 1.00 0.00 C ATOM 1539 O GLY A 100 -10.989 6.352 3.931 1.00 0.00 O ATOM 0 H GLY A 100 -13.588 4.195 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.238 4.910 5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.046 3.628 5.251 1.00 0.00 H new ATOM 1543 N MET A 101 -10.554 5.557 5.991 1.00 0.00 N ATOM 1544 CA MET A 101 -9.471 6.501 6.245 1.00 0.00 C ATOM 1545 C MET A 101 -8.174 6.028 5.598 1.00 0.00 C ATOM 1546 O MET A 101 -7.144 5.912 6.263 1.00 0.00 O ATOM 1547 CB MET A 101 -9.268 6.683 7.750 1.00 0.00 C ATOM 1548 CG MET A 101 -10.476 7.270 8.461 1.00 0.00 C ATOM 1549 SD MET A 101 -10.586 9.060 8.280 1.00 0.00 S ATOM 1550 CE MET A 101 -12.262 9.355 8.840 1.00 0.00 C ATOM 0 H MET A 101 -10.739 4.911 6.758 1.00 0.00 H new ATOM 0 HA MET A 101 -9.747 7.459 5.804 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.029 5.717 8.195 1.00 0.00 H new ATOM 0 HB3 MET A 101 -8.408 7.332 7.916 1.00 0.00 H new ATOM 0 HG2 MET A 101 -11.383 6.812 8.066 1.00 0.00 H new ATOM 0 HG3 MET A 101 -10.427 7.018 9.520 1.00 0.00 H new ATOM 0 HE1 MET A 101 -12.481 10.421 8.787 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.959 8.809 8.204 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.367 9.014 9.870 1.00 0.00 H new ATOM 1560 N ILE A 102 -8.231 5.755 4.299 1.00 0.00 N ATOM 1561 CA ILE A 102 -7.061 5.294 3.563 1.00 0.00 C ATOM 1562 C ILE A 102 -6.728 6.238 2.412 1.00 0.00 C ATOM 1563 O ILE A 102 -7.446 6.295 1.414 1.00 0.00 O ATOM 1564 CB ILE A 102 -7.268 3.875 3.004 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -7.720 2.925 4.115 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.990 3.368 2.354 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -6.578 2.385 4.949 1.00 0.00 C ATOM 0 H ILE A 102 -9.076 5.845 3.734 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.231 5.279 4.270 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.048 3.912 2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.420 3.448 4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.261 2.090 3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.154 2.363 1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.709 4.033 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.190 3.344 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.971 1.719 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.889 1.834 4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.050 3.213 5.423 1.00 0.00 H new ATOM 1579 N THR A 103 -5.632 6.977 2.558 1.00 0.00 N ATOM 1580 CA THR A 103 -5.204 7.918 1.531 1.00 0.00 C ATOM 1581 C THR A 103 -5.495 7.379 0.135 1.00 0.00 C ATOM 1582 O THR A 103 -5.443 6.171 -0.098 1.00 0.00 O ATOM 1583 CB THR A 103 -3.699 8.229 1.646 1.00 0.00 C ATOM 1584 OG1 THR A 103 -3.333 8.370 3.023 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.351 9.502 0.890 1.00 0.00 C ATOM 0 H THR A 103 -5.025 6.942 3.377 1.00 0.00 H new ATOM 0 HA THR A 103 -5.770 8.836 1.688 1.00 0.00 H new ATOM 0 HB THR A 103 -3.144 7.401 1.206 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.375 8.566 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.284 9.702 0.985 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.605 9.381 -0.163 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.915 10.337 1.305 1.00 0.00 H new ATOM 1593 N ARG A 104 -5.799 8.282 -0.792 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.098 7.896 -2.165 1.00 0.00 C ATOM 1595 C ARG A 104 -4.814 7.663 -2.956 1.00 0.00 C ATOM 1596 O ARG A 104 -4.215 8.604 -3.478 1.00 0.00 O ATOM 1597 CB ARG A 104 -6.943 8.974 -2.848 1.00 0.00 C ATOM 1598 CG ARG A 104 -7.172 8.719 -4.329 1.00 0.00 C ATOM 1599 CD ARG A 104 -8.422 7.885 -4.563 1.00 0.00 C ATOM 1600 NE ARG A 104 -9.641 8.681 -4.445 1.00 0.00 N ATOM 1601 CZ ARG A 104 -9.967 9.656 -5.284 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -9.169 9.956 -6.299 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -11.094 10.334 -5.110 1.00 0.00 N ATOM 0 H ARG A 104 -5.845 9.286 -0.617 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.663 6.964 -2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.908 9.040 -2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.453 9.940 -2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.264 9.670 -4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.307 8.206 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.377 7.435 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.452 7.067 -3.843 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.277 8.476 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.302 9.437 -6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.422 10.706 -6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.711 10.106 -4.331 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.343 11.083 -5.756 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.398 6.405 -3.040 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.185 6.047 -3.768 1.00 0.00 C ATOM 1619 C LEU A 105 -3.126 6.761 -5.114 1.00 0.00 C ATOM 1620 O LEU A 105 -3.812 6.378 -6.061 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.119 4.534 -3.977 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.558 3.672 -2.793 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.122 2.229 -2.991 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -2.996 4.226 -1.493 1.00 0.00 C ATOM 0 H LEU A 105 -4.882 5.615 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.328 6.363 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.740 4.279 -4.836 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.094 4.267 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.646 3.696 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.444 1.631 -2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.573 1.834 -3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.036 2.185 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.319 3.600 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.907 4.233 -1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.359 5.243 -1.344 1.00 0.00 H new ATOM 1636 N ARG A 106 -2.300 7.801 -5.191 1.00 0.00 N ATOM 1637 CA ARG A 106 -2.152 8.568 -6.421 1.00 0.00 C ATOM 1638 C ARG A 106 -1.392 7.766 -7.474 1.00 0.00 C ATOM 1639 O ARG A 106 -1.947 7.396 -8.508 1.00 0.00 O ATOM 1640 CB ARG A 106 -1.423 9.884 -6.142 1.00 0.00 C ATOM 1641 CG ARG A 106 -2.354 11.037 -5.809 1.00 0.00 C ATOM 1642 CD ARG A 106 -1.587 12.335 -5.611 1.00 0.00 C ATOM 1643 NE ARG A 106 -1.182 12.525 -4.221 1.00 0.00 N ATOM 1644 CZ ARG A 106 -2.040 12.724 -3.227 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -3.344 12.758 -3.468 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -1.595 12.890 -1.988 1.00 0.00 N ATOM 0 H ARG A 106 -1.724 8.130 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.148 8.787 -6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.730 9.737 -5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.826 10.151 -7.014 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.081 11.162 -6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.915 10.803 -4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.703 12.335 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.207 13.174 -5.926 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.186 12.504 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.690 12.631 -4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.000 12.911 -2.702 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.593 12.865 -1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.255 13.043 -1.225 1.00 0.00 H new ATOM 1660 N HIS A 107 -0.117 7.502 -7.202 1.00 0.00 N ATOM 1661 CA HIS A 107 0.719 6.743 -8.126 1.00 0.00 C ATOM 1662 C HIS A 107 1.469 5.634 -7.394 1.00 0.00 C ATOM 1663 O HIS A 107 1.853 5.773 -6.232 1.00 0.00 O ATOM 1664 CB HIS A 107 1.714 7.671 -8.825 1.00 0.00 C ATOM 1665 CG HIS A 107 1.133 8.394 -10.001 1.00 0.00 C ATOM 1666 ND1 HIS A 107 1.179 7.898 -11.287 1.00 0.00 N ATOM 1667 CD2 HIS A 107 0.488 9.581 -10.081 1.00 0.00 C ATOM 1668 CE1 HIS A 107 0.590 8.750 -12.107 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.162 9.780 -11.400 1.00 0.00 N ATOM 0 H HIS A 107 0.359 7.802 -6.351 1.00 0.00 H new ATOM 0 HA HIS A 107 0.070 6.287 -8.874 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.084 8.402 -8.106 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.573 7.087 -9.156 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.270 10.248 -9.260 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.478 8.625 -13.174 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.331 10.591 -11.773 1.00 0.00 H new ATOM 1678 N PRO A 108 1.684 4.507 -8.088 1.00 0.00 N ATOM 1679 CA PRO A 108 2.389 3.352 -7.523 1.00 0.00 C ATOM 1680 C PRO A 108 3.874 3.624 -7.316 1.00 0.00 C ATOM 1681 O PRO A 108 4.395 4.650 -7.754 1.00 0.00 O ATOM 1682 CB PRO A 108 2.186 2.262 -8.578 1.00 0.00 C ATOM 1683 CG PRO A 108 1.970 3.004 -9.852 1.00 0.00 C ATOM 1684 CD PRO A 108 1.256 4.272 -9.476 1.00 0.00 C ATOM 0 HA PRO A 108 2.010 3.085 -6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.055 1.608 -8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.330 1.632 -8.337 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.919 3.221 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.377 2.415 -10.551 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.536 5.099 -10.128 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.174 4.161 -9.549 1.00 0.00 H new ATOM 1692 N VAL A 109 4.554 2.698 -6.647 1.00 0.00 N ATOM 1693 CA VAL A 109 5.981 2.837 -6.384 1.00 0.00 C ATOM 1694 C VAL A 109 6.623 1.484 -6.102 1.00 0.00 C ATOM 1695 O VAL A 109 6.029 0.628 -5.445 1.00 0.00 O ATOM 1696 CB VAL A 109 6.243 3.776 -5.192 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.737 3.944 -4.962 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.575 5.124 -5.419 1.00 0.00 C ATOM 0 H VAL A 109 4.139 1.843 -6.277 1.00 0.00 H new ATOM 0 HA VAL A 109 6.427 3.267 -7.281 1.00 0.00 H new ATOM 0 HB VAL A 109 5.811 3.328 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.902 4.611 -4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.184 2.973 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.197 4.369 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.770 5.775 -4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 109 5.976 5.581 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.500 4.983 -5.529 1.00 0.00 H new ATOM 1708 N SER A 110 7.840 1.296 -6.600 1.00 0.00 N ATOM 1709 CA SER A 110 8.562 0.044 -6.405 1.00 0.00 C ATOM 1710 C SER A 110 10.062 0.295 -6.286 1.00 0.00 C ATOM 1711 O SER A 110 10.661 0.951 -7.138 1.00 0.00 O ATOM 1712 CB SER A 110 8.284 -0.916 -7.563 1.00 0.00 C ATOM 1713 OG SER A 110 8.965 -0.509 -8.738 1.00 0.00 O ATOM 0 H SER A 110 8.348 1.995 -7.142 1.00 0.00 H new ATOM 0 HA SER A 110 8.212 -0.408 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.597 -1.923 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.212 -0.957 -7.756 1.00 0.00 H new ATOM 0 HG SER A 110 9.676 0.123 -8.502 1.00 0.00 H new