USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 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 -150:sc= 0 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0.00593 USER MOD Set 2.1: A 46 MET CE :methyl -163:sc= -0.0769 (180deg=-0.128) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= -0.017 USER MOD Set 3.1: A 41 SER OG : rot 180:sc= 0.101 USER MOD Set 3.2: A 48 THR OG1 : rot 66:sc= 0.0919 USER MOD Set 4.1: A 17 ASN : amide:sc= 0 X(o=-1.4,f=-1.4) USER MOD Set 4.2: A 40 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.3!) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.169 USER MOD Single : A 19 SER OG : rot 180:sc= -0.117 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3.73! C(o=-3.7!,f=-7.5!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.203 USER MOD Single : A 25 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.23) USER MOD Single : A 29 GLN : amide:sc= -5.2! C(o=-5.2!,f=-9.9!) USER MOD Single : A 30 LYS NZ :NH3+ -120:sc= 1 (180deg=-0.13) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -153:sc= -0.597 (180deg=-1.05) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.49 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -122:sc= 0.528 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -169:sc= 0.521 (180deg=0.462) USER MOD Single : A 65 HIS : no HD1:sc= -0.0809 X(o=-0.081,f=-0.55) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.087 K(o=-0.087,f=-0.72) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 71 ASN : amide:sc= -1.15 K(o=-1.1,f=-3.8!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) 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= -1.32! C(o=-1.3!,f=-1.6!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 31:sc= 0.121 USER MOD Single : A 86 SER OG : rot -28:sc= 0.689 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -0.0729 F(o=-0.59,f=-0.073) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0.00702 K(o=0.007,f=-3.6!) USER MOD Single : A 95 GLN : amide:sc= -0.119 K(o=-0.12,f=-2.1!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.0327 X(o=-0.033,f=-0.033) USER MOD Single : A 98 SER OG : rot 108:sc= 0.993 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 2.015 -11.978 -8.120 1.00 0.00 N ATOM 67 CA LEU A 8 2.116 -10.615 -7.613 1.00 0.00 C ATOM 68 C LEU A 8 3.236 -9.854 -8.315 1.00 0.00 C ATOM 69 O LEU A 8 3.069 -8.696 -8.696 1.00 0.00 O ATOM 70 CB LEU A 8 2.363 -10.630 -6.103 1.00 0.00 C ATOM 71 CG LEU A 8 1.146 -10.930 -5.227 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.562 -11.090 -3.773 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.103 -9.830 -5.368 1.00 0.00 C ATOM 0 HA LEU A 8 1.174 -10.107 -7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.132 -11.372 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.766 -9.660 -5.811 1.00 0.00 H new ATOM 0 HG LEU A 8 0.703 -11.868 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.683 -11.303 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.272 -11.913 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.030 -10.169 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.756 -10.060 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.535 -8.878 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.217 -9.764 -6.408 1.00 0.00 H new ATOM 85 N ASP A 9 4.377 -10.513 -8.484 1.00 0.00 N ATOM 86 CA ASP A 9 5.524 -9.901 -9.143 1.00 0.00 C ATOM 87 C ASP A 9 5.087 -9.123 -10.381 1.00 0.00 C ATOM 88 O ASP A 9 5.450 -7.960 -10.555 1.00 0.00 O ATOM 89 CB ASP A 9 6.547 -10.970 -9.532 1.00 0.00 C ATOM 90 CG ASP A 9 5.970 -12.008 -10.475 1.00 0.00 C ATOM 91 OD1 ASP A 9 5.128 -12.814 -10.027 1.00 0.00 O ATOM 92 OD2 ASP A 9 6.359 -12.012 -11.661 1.00 0.00 O ATOM 0 H ASP A 9 4.532 -11.472 -8.173 1.00 0.00 H new ATOM 0 HA ASP A 9 5.986 -9.206 -8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.406 -10.492 -10.004 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.912 -11.464 -8.632 1.00 0.00 H new ATOM 97 N ASP A 10 4.310 -9.775 -11.239 1.00 0.00 N ATOM 98 CA ASP A 10 3.823 -9.144 -12.460 1.00 0.00 C ATOM 99 C ASP A 10 3.533 -7.665 -12.231 1.00 0.00 C ATOM 100 O ASP A 10 4.100 -6.799 -12.897 1.00 0.00 O ATOM 101 CB ASP A 10 2.563 -9.853 -12.959 1.00 0.00 C ATOM 102 CG ASP A 10 2.818 -11.303 -13.320 1.00 0.00 C ATOM 103 OD1 ASP A 10 3.711 -11.557 -14.156 1.00 0.00 O ATOM 104 OD2 ASP A 10 2.125 -12.183 -12.768 1.00 0.00 O ATOM 0 H ASP A 10 4.004 -10.740 -11.112 1.00 0.00 H new ATOM 0 HA ASP A 10 4.602 -9.229 -13.218 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.793 -9.804 -12.189 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.175 -9.327 -13.832 1.00 0.00 H new ATOM 109 N TYR A 11 2.646 -7.381 -11.283 1.00 0.00 N ATOM 110 CA TYR A 11 2.278 -6.006 -10.967 1.00 0.00 C ATOM 111 C TYR A 11 3.519 -5.147 -10.747 1.00 0.00 C ATOM 112 O TYR A 11 4.638 -5.656 -10.683 1.00 0.00 O ATOM 113 CB TYR A 11 1.390 -5.968 -9.722 1.00 0.00 C ATOM 114 CG TYR A 11 0.083 -6.709 -9.887 1.00 0.00 C ATOM 115 CD1 TYR A 11 -0.917 -6.218 -10.719 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.153 -7.900 -9.214 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.113 -6.892 -10.873 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.345 -8.582 -9.362 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.322 -8.074 -10.192 1.00 0.00 C ATOM 120 OH TYR A 11 -3.512 -8.748 -10.344 1.00 0.00 O ATOM 0 H TYR A 11 2.169 -8.085 -10.720 1.00 0.00 H new ATOM 0 HA TYR A 11 1.724 -5.601 -11.813 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.937 -6.397 -8.883 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.179 -4.929 -9.468 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.756 -5.294 -11.254 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.610 -8.301 -8.563 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.880 -6.496 -11.522 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.511 -9.508 -8.831 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.499 -9.562 -9.798 1.00 0.00 H new ATOM 130 N ASP A 12 3.312 -3.839 -10.632 1.00 0.00 N ATOM 131 CA ASP A 12 4.412 -2.907 -10.417 1.00 0.00 C ATOM 132 C ASP A 12 4.486 -2.482 -8.955 1.00 0.00 C ATOM 133 O ASP A 12 5.493 -2.709 -8.282 1.00 0.00 O ATOM 134 CB ASP A 12 4.248 -1.676 -11.311 1.00 0.00 C ATOM 135 CG ASP A 12 4.580 -1.967 -12.762 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.773 -1.894 -13.124 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.647 -2.267 -13.535 1.00 0.00 O ATOM 0 H ASP A 12 2.392 -3.401 -10.684 1.00 0.00 H new ATOM 0 HA ASP A 12 5.341 -3.414 -10.677 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.222 -1.314 -11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.894 -0.877 -10.947 1.00 0.00 H new ATOM 142 N TRP A 13 3.417 -1.863 -8.469 1.00 0.00 N ATOM 143 CA TRP A 13 3.362 -1.405 -7.085 1.00 0.00 C ATOM 144 C TRP A 13 4.048 -2.399 -6.154 1.00 0.00 C ATOM 145 O TRP A 13 4.806 -2.010 -5.265 1.00 0.00 O ATOM 146 CB TRP A 13 1.909 -1.201 -6.652 1.00 0.00 C ATOM 147 CG TRP A 13 0.953 -2.152 -7.307 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.254 -1.945 -8.461 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.594 -3.459 -6.846 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.520 -3.045 -8.744 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.329 -3.988 -7.770 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.963 -4.235 -5.743 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -0.887 -5.255 -7.622 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.408 -5.493 -5.598 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.508 -5.992 -6.533 1.00 0.00 C ATOM 0 H TRP A 13 2.576 -1.666 -9.012 1.00 0.00 H new ATOM 0 HA TRP A 13 3.890 -0.454 -7.022 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.841 -1.316 -5.570 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.609 -0.179 -6.883 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.302 -1.049 -9.063 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.137 -3.143 -9.550 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.669 -3.859 -5.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.594 -5.642 -8.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.685 -6.101 -4.750 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.924 -6.979 -6.392 1.00 0.00 H new ATOM 166 N PHE A 14 3.779 -3.683 -6.365 1.00 0.00 N ATOM 167 CA PHE A 14 4.371 -4.733 -5.543 1.00 0.00 C ATOM 168 C PHE A 14 5.889 -4.590 -5.491 1.00 0.00 C ATOM 169 O PHE A 14 6.598 -5.048 -6.388 1.00 0.00 O ATOM 170 CB PHE A 14 3.995 -6.111 -6.091 1.00 0.00 C ATOM 171 CG PHE A 14 4.491 -7.248 -5.245 1.00 0.00 C ATOM 172 CD1 PHE A 14 3.812 -7.623 -4.097 1.00 0.00 C ATOM 173 CD2 PHE A 14 5.638 -7.942 -5.597 1.00 0.00 C ATOM 174 CE1 PHE A 14 4.266 -8.669 -3.316 1.00 0.00 C ATOM 175 CE2 PHE A 14 6.096 -8.989 -4.821 1.00 0.00 C ATOM 176 CZ PHE A 14 5.411 -9.352 -3.678 1.00 0.00 C ATOM 0 H PHE A 14 3.155 -4.022 -7.098 1.00 0.00 H new ATOM 0 HA PHE A 14 3.979 -4.633 -4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.910 -6.177 -6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.398 -6.215 -7.098 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.917 -7.091 -3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.180 -7.661 -6.488 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.727 -8.952 -2.424 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.989 -9.524 -5.108 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.770 -10.168 -3.068 1.00 0.00 H new ATOM 186 N ALA A 15 6.382 -3.954 -4.434 1.00 0.00 N ATOM 187 CA ALA A 15 7.816 -3.753 -4.263 1.00 0.00 C ATOM 188 C ALA A 15 8.518 -5.063 -3.929 1.00 0.00 C ATOM 189 O ALA A 15 9.536 -5.404 -4.530 1.00 0.00 O ATOM 190 CB ALA A 15 8.077 -2.720 -3.176 1.00 0.00 C ATOM 0 H ALA A 15 5.810 -3.569 -3.683 1.00 0.00 H new ATOM 0 HA ALA A 15 8.221 -3.385 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.151 -2.579 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.615 -1.773 -3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.651 -3.067 -2.235 1.00 0.00 H new ATOM 196 N GLY A 16 7.967 -5.796 -2.965 1.00 0.00 N ATOM 197 CA GLY A 16 8.556 -7.061 -2.567 1.00 0.00 C ATOM 198 C GLY A 16 9.170 -7.007 -1.183 1.00 0.00 C ATOM 199 O GLY A 16 8.542 -6.531 -0.237 1.00 0.00 O ATOM 0 H GLY A 16 7.124 -5.536 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.791 -7.837 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.321 -7.345 -3.289 1.00 0.00 H new ATOM 203 N ASN A 17 10.399 -7.495 -1.062 1.00 0.00 N ATOM 204 CA ASN A 17 11.098 -7.501 0.218 1.00 0.00 C ATOM 205 C ASN A 17 11.907 -6.220 0.402 1.00 0.00 C ATOM 206 O ASN A 17 12.949 -6.037 -0.228 1.00 0.00 O ATOM 207 CB ASN A 17 12.019 -8.719 0.314 1.00 0.00 C ATOM 208 CG ASN A 17 12.314 -9.109 1.750 1.00 0.00 C ATOM 209 OD1 ASN A 17 11.658 -9.983 2.314 1.00 0.00 O ATOM 210 ND2 ASN A 17 13.305 -8.458 2.348 1.00 0.00 N ATOM 0 H ASN A 17 10.933 -7.892 -1.835 1.00 0.00 H new ATOM 0 HA ASN A 17 10.352 -7.555 1.011 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.558 -9.562 -0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.955 -8.505 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.549 -8.676 3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 17 13.823 -7.740 1.841 1.00 0.00 H new ATOM 217 N ILE A 18 11.421 -5.340 1.270 1.00 0.00 N ATOM 218 CA ILE A 18 12.100 -4.078 1.539 1.00 0.00 C ATOM 219 C ILE A 18 12.262 -3.850 3.037 1.00 0.00 C ATOM 220 O ILE A 18 11.775 -4.633 3.852 1.00 0.00 O ATOM 221 CB ILE A 18 11.336 -2.887 0.929 1.00 0.00 C ATOM 222 CG1 ILE A 18 9.969 -2.734 1.597 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.180 -3.071 -0.572 1.00 0.00 C ATOM 224 CD1 ILE A 18 8.999 -1.887 0.804 1.00 0.00 C ATOM 0 H ILE A 18 10.560 -5.477 1.799 1.00 0.00 H new ATOM 0 HA ILE A 18 13.084 -4.144 1.076 1.00 0.00 H new ATOM 0 HB ILE A 18 11.910 -1.977 1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.535 -3.722 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.104 -2.290 2.583 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.638 -2.222 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.165 -3.136 -1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.625 -3.988 -0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.051 -1.822 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.411 -0.886 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.834 -2.341 -0.173 1.00 0.00 H new ATOM 236 N SER A 19 12.950 -2.770 3.395 1.00 0.00 N ATOM 237 CA SER A 19 13.180 -2.438 4.796 1.00 0.00 C ATOM 238 C SER A 19 12.322 -1.249 5.221 1.00 0.00 C ATOM 239 O SER A 19 11.769 -0.538 4.382 1.00 0.00 O ATOM 240 CB SER A 19 14.659 -2.125 5.033 1.00 0.00 C ATOM 241 OG SER A 19 14.910 -1.855 6.400 1.00 0.00 O ATOM 0 H SER A 19 13.358 -2.110 2.733 1.00 0.00 H new ATOM 0 HA SER A 19 12.898 -3.301 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.269 -2.968 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.954 -1.266 4.429 1.00 0.00 H new ATOM 0 HG SER A 19 15.862 -1.660 6.525 1.00 0.00 H new ATOM 247 N ARG A 20 12.216 -1.042 6.529 1.00 0.00 N ATOM 248 CA ARG A 20 11.426 0.059 7.066 1.00 0.00 C ATOM 249 C ARG A 20 11.997 1.404 6.625 1.00 0.00 C ATOM 250 O ARG A 20 11.299 2.418 6.632 1.00 0.00 O ATOM 251 CB ARG A 20 11.383 -0.013 8.593 1.00 0.00 C ATOM 252 CG ARG A 20 12.757 -0.107 9.237 1.00 0.00 C ATOM 253 CD ARG A 20 12.708 -0.883 10.544 1.00 0.00 C ATOM 254 NE ARG A 20 12.948 -2.309 10.342 1.00 0.00 N ATOM 255 CZ ARG A 20 13.399 -3.120 11.292 1.00 0.00 C ATOM 256 NH1 ARG A 20 13.659 -2.648 12.504 1.00 0.00 N ATOM 257 NH2 ARG A 20 13.591 -4.408 11.033 1.00 0.00 N ATOM 0 H ARG A 20 12.667 -1.622 7.236 1.00 0.00 H new ATOM 0 HA ARG A 20 10.412 -0.031 6.676 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.871 0.870 8.976 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.791 -0.879 8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.450 -0.593 8.550 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.143 0.896 9.422 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.454 -0.483 11.231 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.734 -0.742 11.013 1.00 0.00 H new ATOM 0 HE ARG A 20 12.759 -2.704 9.421 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.513 -1.660 12.709 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.005 -3.274 13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.392 -4.776 10.103 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.937 -5.029 11.764 1.00 0.00 H new ATOM 271 N SER A 21 13.270 1.404 6.244 1.00 0.00 N ATOM 272 CA SER A 21 13.936 2.625 5.804 1.00 0.00 C ATOM 273 C SER A 21 13.800 2.805 4.296 1.00 0.00 C ATOM 274 O SER A 21 13.623 3.920 3.807 1.00 0.00 O ATOM 275 CB SER A 21 15.414 2.593 6.195 1.00 0.00 C ATOM 276 OG SER A 21 15.569 2.465 7.598 1.00 0.00 O ATOM 0 H SER A 21 13.861 0.573 6.231 1.00 0.00 H new ATOM 0 HA SER A 21 13.455 3.470 6.297 1.00 0.00 H new ATOM 0 HB2 SER A 21 15.908 1.760 5.694 1.00 0.00 H new ATOM 0 HB3 SER A 21 15.903 3.505 5.854 1.00 0.00 H new ATOM 0 HG SER A 21 16.523 2.445 7.821 1.00 0.00 H new ATOM 282 N GLN A 22 13.884 1.699 3.564 1.00 0.00 N ATOM 283 CA GLN A 22 13.772 1.734 2.111 1.00 0.00 C ATOM 284 C GLN A 22 12.370 2.155 1.684 1.00 0.00 C ATOM 285 O GLN A 22 12.192 3.187 1.036 1.00 0.00 O ATOM 286 CB GLN A 22 14.107 0.363 1.519 1.00 0.00 C ATOM 287 CG GLN A 22 15.598 0.131 1.329 1.00 0.00 C ATOM 288 CD GLN A 22 16.306 1.337 0.744 1.00 0.00 C ATOM 289 OE1 GLN A 22 15.817 1.962 -0.198 1.00 0.00 O ATOM 290 NE2 GLN A 22 17.465 1.669 1.300 1.00 0.00 N ATOM 0 H GLN A 22 14.029 0.768 3.953 1.00 0.00 H new ATOM 0 HA GLN A 22 14.484 2.469 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.707 -0.413 2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.606 0.260 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.048 -0.119 2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.748 -0.727 0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.832 1.122 2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.988 2.471 0.948 1.00 0.00 H new ATOM 299 N SER A 23 11.377 1.352 2.050 1.00 0.00 N ATOM 300 CA SER A 23 9.991 1.641 1.702 1.00 0.00 C ATOM 301 C SER A 23 9.725 3.142 1.731 1.00 0.00 C ATOM 302 O SER A 23 9.105 3.691 0.821 1.00 0.00 O ATOM 303 CB SER A 23 9.041 0.924 2.664 1.00 0.00 C ATOM 304 OG SER A 23 8.823 1.694 3.833 1.00 0.00 O ATOM 0 H SER A 23 11.506 0.495 2.588 1.00 0.00 H new ATOM 0 HA SER A 23 9.813 1.278 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.090 0.734 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.457 -0.046 2.936 1.00 0.00 H new ATOM 0 HG SER A 23 8.212 1.215 4.431 1.00 0.00 H new ATOM 310 N GLU A 24 10.198 3.801 2.784 1.00 0.00 N ATOM 311 CA GLU A 24 10.011 5.239 2.932 1.00 0.00 C ATOM 312 C GLU A 24 10.871 6.006 1.931 1.00 0.00 C ATOM 313 O GLU A 24 10.377 6.873 1.211 1.00 0.00 O ATOM 314 CB GLU A 24 10.355 5.677 4.357 1.00 0.00 C ATOM 315 CG GLU A 24 9.544 4.963 5.426 1.00 0.00 C ATOM 316 CD GLU A 24 9.334 5.812 6.664 1.00 0.00 C ATOM 317 OE1 GLU A 24 9.522 7.044 6.578 1.00 0.00 O ATOM 318 OE2 GLU A 24 8.981 5.246 7.720 1.00 0.00 O ATOM 0 H GLU A 24 10.713 3.362 3.547 1.00 0.00 H new ATOM 0 HA GLU A 24 8.963 5.465 2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.415 5.498 4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.193 6.751 4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.575 4.682 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.051 4.040 5.705 1.00 0.00 H new ATOM 325 N GLN A 25 12.159 5.680 1.895 1.00 0.00 N ATOM 326 CA GLN A 25 13.087 6.339 0.984 1.00 0.00 C ATOM 327 C GLN A 25 12.590 6.253 -0.455 1.00 0.00 C ATOM 328 O GLN A 25 12.283 7.270 -1.079 1.00 0.00 O ATOM 329 CB GLN A 25 14.477 5.710 1.095 1.00 0.00 C ATOM 330 CG GLN A 25 15.285 6.223 2.274 1.00 0.00 C ATOM 331 CD GLN A 25 15.966 7.547 1.984 1.00 0.00 C ATOM 332 OE1 GLN A 25 16.974 7.598 1.280 1.00 0.00 O ATOM 333 NE2 GLN A 25 15.416 8.627 2.525 1.00 0.00 N ATOM 0 H GLN A 25 12.583 4.964 2.485 1.00 0.00 H new ATOM 0 HA GLN A 25 13.149 7.390 1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.371 4.629 1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.029 5.904 0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.629 6.338 3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.038 5.483 2.543 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.580 8.539 3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.829 9.545 2.363 1.00 0.00 H new ATOM 342 N LEU A 26 12.514 5.035 -0.979 1.00 0.00 N ATOM 343 CA LEU A 26 12.055 4.816 -2.346 1.00 0.00 C ATOM 344 C LEU A 26 10.820 5.660 -2.646 1.00 0.00 C ATOM 345 O LEU A 26 10.819 6.467 -3.577 1.00 0.00 O ATOM 346 CB LEU A 26 11.742 3.336 -2.568 1.00 0.00 C ATOM 347 CG LEU A 26 12.762 2.343 -2.011 1.00 0.00 C ATOM 348 CD1 LEU A 26 12.523 0.954 -2.582 1.00 0.00 C ATOM 349 CD2 LEU A 26 14.180 2.809 -2.310 1.00 0.00 C ATOM 0 H LEU A 26 12.765 4.183 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 26 12.853 5.118 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.772 3.119 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.644 3.163 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 26 12.638 2.294 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.259 0.261 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.521 0.618 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.618 0.986 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.892 2.090 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.317 2.889 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.348 3.783 -1.850 1.00 0.00 H new ATOM 361 N LEU A 27 9.772 5.468 -1.852 1.00 0.00 N ATOM 362 CA LEU A 27 8.530 6.213 -2.032 1.00 0.00 C ATOM 363 C LEU A 27 8.815 7.665 -2.405 1.00 0.00 C ATOM 364 O LEU A 27 8.170 8.226 -3.290 1.00 0.00 O ATOM 365 CB LEU A 27 7.690 6.158 -0.756 1.00 0.00 C ATOM 366 CG LEU A 27 6.780 4.939 -0.603 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.122 4.933 0.767 1.00 0.00 C ATOM 368 CD2 LEU A 27 5.727 4.918 -1.702 1.00 0.00 C ATOM 0 H LEU A 27 9.757 4.804 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 27 7.973 5.751 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.364 6.193 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.072 7.055 -0.713 1.00 0.00 H new ATOM 0 HG LEU A 27 7.390 4.041 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.478 4.058 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.890 4.900 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.525 5.837 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.088 4.044 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.121 5.822 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.217 4.874 -2.675 1.00 0.00 H new ATOM 380 N ARG A 28 9.787 8.265 -1.726 1.00 0.00 N ATOM 381 CA ARG A 28 10.158 9.650 -1.987 1.00 0.00 C ATOM 382 C ARG A 28 11.009 9.758 -3.249 1.00 0.00 C ATOM 383 O ARG A 28 10.725 10.563 -4.134 1.00 0.00 O ATOM 384 CB ARG A 28 10.921 10.230 -0.793 1.00 0.00 C ATOM 385 CG ARG A 28 10.285 9.908 0.549 1.00 0.00 C ATOM 386 CD ARG A 28 11.319 9.892 1.665 1.00 0.00 C ATOM 387 NE ARG A 28 11.510 11.216 2.252 1.00 0.00 N ATOM 388 CZ ARG A 28 10.595 11.829 2.996 1.00 0.00 C ATOM 389 NH1 ARG A 28 9.433 11.241 3.240 1.00 0.00 N ATOM 390 NH2 ARG A 28 10.843 13.033 3.495 1.00 0.00 N ATOM 0 H ARG A 28 10.332 7.814 -0.991 1.00 0.00 H new ATOM 0 HA ARG A 28 9.242 10.222 -2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.941 9.847 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.986 11.312 -0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.515 10.646 0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.791 8.938 0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.005 9.193 2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.269 9.528 1.274 1.00 0.00 H new ATOM 0 HE ARG A 28 12.394 11.696 2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.239 10.316 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.732 11.713 3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.736 13.489 3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.140 13.503 4.066 1.00 0.00 H new ATOM 404 N GLN A 29 12.054 8.939 -3.323 1.00 0.00 N ATOM 405 CA GLN A 29 12.946 8.943 -4.475 1.00 0.00 C ATOM 406 C GLN A 29 12.157 9.052 -5.775 1.00 0.00 C ATOM 407 O GLN A 29 12.514 9.820 -6.668 1.00 0.00 O ATOM 408 CB GLN A 29 13.802 7.674 -4.488 1.00 0.00 C ATOM 409 CG GLN A 29 15.055 7.776 -3.634 1.00 0.00 C ATOM 410 CD GLN A 29 14.804 8.472 -2.311 1.00 0.00 C ATOM 411 OE1 GLN A 29 14.224 9.558 -2.267 1.00 0.00 O ATOM 412 NE2 GLN A 29 15.240 7.850 -1.222 1.00 0.00 N ATOM 0 H GLN A 29 12.303 8.265 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 29 13.598 9.812 -4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.200 6.836 -4.136 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.090 7.451 -5.515 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.444 6.775 -3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.823 8.318 -4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.716 6.951 -1.304 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.099 8.271 -0.304 1.00 0.00 H new ATOM 421 N LYS A 30 11.081 8.278 -5.875 1.00 0.00 N ATOM 422 CA LYS A 30 10.239 8.287 -7.064 1.00 0.00 C ATOM 423 C LYS A 30 10.007 9.713 -7.556 1.00 0.00 C ATOM 424 O LYS A 30 10.310 10.042 -8.702 1.00 0.00 O ATOM 425 CB LYS A 30 8.898 7.613 -6.771 1.00 0.00 C ATOM 426 CG LYS A 30 7.901 7.717 -7.913 1.00 0.00 C ATOM 427 CD LYS A 30 8.368 6.938 -9.132 1.00 0.00 C ATOM 428 CE LYS A 30 7.938 5.482 -9.060 1.00 0.00 C ATOM 429 NZ LYS A 30 6.545 5.289 -9.549 1.00 0.00 N ATOM 0 H LYS A 30 10.772 7.636 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 30 10.754 7.730 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.072 6.561 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.463 8.062 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.932 7.339 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.761 8.764 -8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.962 7.394 -10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.454 6.995 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.619 4.873 -9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.013 5.132 -8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.962 4.889 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.150 6.205 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.549 4.638 -10.360 1.00 0.00 H new ATOM 443 N GLY A 31 9.469 10.557 -6.680 1.00 0.00 N ATOM 444 CA GLY A 31 9.208 11.937 -7.043 1.00 0.00 C ATOM 445 C GLY A 31 7.785 12.151 -7.519 1.00 0.00 C ATOM 446 O GLY A 31 7.547 12.877 -8.484 1.00 0.00 O ATOM 0 H GLY A 31 9.209 10.309 -5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.401 12.579 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.900 12.240 -7.828 1.00 0.00 H new ATOM 450 N LYS A 32 6.834 11.517 -6.841 1.00 0.00 N ATOM 451 CA LYS A 32 5.425 11.641 -7.198 1.00 0.00 C ATOM 452 C LYS A 32 4.556 11.770 -5.951 1.00 0.00 C ATOM 453 O LYS A 32 4.984 11.428 -4.849 1.00 0.00 O ATOM 454 CB LYS A 32 4.979 10.431 -8.021 1.00 0.00 C ATOM 455 CG LYS A 32 5.176 10.606 -9.517 1.00 0.00 C ATOM 456 CD LYS A 32 4.189 9.768 -10.312 1.00 0.00 C ATOM 457 CE LYS A 32 4.547 9.740 -11.790 1.00 0.00 C ATOM 458 NZ LYS A 32 5.636 8.767 -12.078 1.00 0.00 N ATOM 0 H LYS A 32 7.014 10.911 -6.040 1.00 0.00 H new ATOM 0 HA LYS A 32 5.306 12.544 -7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.534 9.553 -7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.925 10.236 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.057 11.657 -9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.194 10.324 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.175 8.751 -9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.184 10.171 -10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.664 9.479 -12.373 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.856 10.736 -12.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.851 8.778 -13.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.487 9.030 -11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.332 7.813 -11.798 1.00 0.00 H new ATOM 472 N GLU A 33 3.337 12.263 -6.134 1.00 0.00 N ATOM 473 CA GLU A 33 2.409 12.435 -5.022 1.00 0.00 C ATOM 474 C GLU A 33 1.481 11.230 -4.896 1.00 0.00 C ATOM 475 O GLU A 33 1.196 10.546 -5.879 1.00 0.00 O ATOM 476 CB GLU A 33 1.582 13.710 -5.211 1.00 0.00 C ATOM 477 CG GLU A 33 2.424 14.946 -5.478 1.00 0.00 C ATOM 478 CD GLU A 33 3.260 15.353 -4.280 1.00 0.00 C ATOM 479 OE1 GLU A 33 2.675 15.805 -3.273 1.00 0.00 O ATOM 480 OE2 GLU A 33 4.500 15.219 -4.349 1.00 0.00 O ATOM 0 H GLU A 33 2.968 12.550 -7.040 1.00 0.00 H new ATOM 0 HA GLU A 33 2.993 12.521 -4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.891 13.565 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.978 13.877 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.081 14.757 -6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.771 15.772 -5.758 1.00 0.00 H new ATOM 487 N GLY A 34 1.013 10.975 -3.678 1.00 0.00 N ATOM 488 CA GLY A 34 0.124 9.852 -3.445 1.00 0.00 C ATOM 489 C GLY A 34 0.739 8.530 -3.857 1.00 0.00 C ATOM 490 O GLY A 34 0.027 7.580 -4.178 1.00 0.00 O ATOM 0 H GLY A 34 1.234 11.526 -2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.138 9.813 -2.388 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.803 10.006 -3.998 1.00 0.00 H new ATOM 494 N ALA A 35 2.067 8.469 -3.850 1.00 0.00 N ATOM 495 CA ALA A 35 2.778 7.254 -4.227 1.00 0.00 C ATOM 496 C ALA A 35 2.571 6.153 -3.191 1.00 0.00 C ATOM 497 O ALA A 35 2.669 6.394 -1.987 1.00 0.00 O ATOM 498 CB ALA A 35 4.261 7.543 -4.402 1.00 0.00 C ATOM 0 H ALA A 35 2.672 9.247 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 35 2.372 6.905 -5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.780 6.627 -4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.396 8.291 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.672 7.919 -3.465 1.00 0.00 H new ATOM 504 N PHE A 36 2.282 4.946 -3.666 1.00 0.00 N ATOM 505 CA PHE A 36 2.059 3.809 -2.781 1.00 0.00 C ATOM 506 C PHE A 36 2.911 2.615 -3.203 1.00 0.00 C ATOM 507 O PHE A 36 3.471 2.596 -4.299 1.00 0.00 O ATOM 508 CB PHE A 36 0.580 3.419 -2.779 1.00 0.00 C ATOM 509 CG PHE A 36 0.199 2.508 -3.910 1.00 0.00 C ATOM 510 CD1 PHE A 36 -0.033 3.015 -5.179 1.00 0.00 C ATOM 511 CD2 PHE A 36 0.073 1.143 -3.705 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.383 2.178 -6.221 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.278 0.301 -4.744 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.506 0.819 -6.004 1.00 0.00 C ATOM 0 H PHE A 36 2.197 4.730 -4.659 1.00 0.00 H new ATOM 0 HA PHE A 36 2.351 4.103 -1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.343 2.931 -1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.026 4.323 -2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.061 4.076 -5.355 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.251 0.732 -2.722 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.560 2.586 -7.205 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.374 -0.761 -4.571 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.780 0.163 -6.817 1.00 0.00 H new ATOM 524 N MET A 37 3.004 1.622 -2.325 1.00 0.00 N ATOM 525 CA MET A 37 3.787 0.425 -2.607 1.00 0.00 C ATOM 526 C MET A 37 3.306 -0.750 -1.761 1.00 0.00 C ATOM 527 O MET A 37 2.483 -0.584 -0.861 1.00 0.00 O ATOM 528 CB MET A 37 5.271 0.685 -2.342 1.00 0.00 C ATOM 529 CG MET A 37 5.685 0.428 -0.902 1.00 0.00 C ATOM 530 SD MET A 37 7.107 1.418 -0.401 1.00 0.00 S ATOM 531 CE MET A 37 8.188 1.195 -1.811 1.00 0.00 C ATOM 0 H MET A 37 2.547 1.623 -1.413 1.00 0.00 H new ATOM 0 HA MET A 37 3.653 0.173 -3.659 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.866 0.052 -3.001 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.502 1.719 -2.599 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.845 0.646 -0.242 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.922 -0.629 -0.779 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.225 1.309 -1.496 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.042 0.198 -2.227 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.955 1.942 -2.570 1.00 0.00 H new ATOM 541 N VAL A 38 3.824 -1.938 -2.057 1.00 0.00 N ATOM 542 CA VAL A 38 3.448 -3.141 -1.324 1.00 0.00 C ATOM 543 C VAL A 38 4.633 -4.087 -1.176 1.00 0.00 C ATOM 544 O VAL A 38 5.394 -4.299 -2.121 1.00 0.00 O ATOM 545 CB VAL A 38 2.294 -3.886 -2.021 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.856 -5.085 -1.195 1.00 0.00 C ATOM 547 CG2 VAL A 38 1.125 -2.943 -2.268 1.00 0.00 C ATOM 0 H VAL A 38 4.506 -2.093 -2.800 1.00 0.00 H new ATOM 0 HA VAL A 38 3.118 -2.819 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 38 2.649 -4.250 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.040 -5.599 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.696 -5.769 -1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.518 -4.748 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.318 -3.485 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.769 -2.548 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.450 -2.119 -2.904 1.00 0.00 H new ATOM 557 N ARG A 39 4.785 -4.656 0.016 1.00 0.00 N ATOM 558 CA ARG A 39 5.879 -5.581 0.288 1.00 0.00 C ATOM 559 C ARG A 39 5.346 -6.927 0.765 1.00 0.00 C ATOM 560 O ARG A 39 4.146 -7.090 0.984 1.00 0.00 O ATOM 561 CB ARG A 39 6.823 -4.992 1.338 1.00 0.00 C ATOM 562 CG ARG A 39 6.127 -4.598 2.630 1.00 0.00 C ATOM 563 CD ARG A 39 6.884 -3.498 3.358 1.00 0.00 C ATOM 564 NE ARG A 39 8.026 -4.020 4.103 1.00 0.00 N ATOM 565 CZ ARG A 39 7.921 -4.623 5.282 1.00 0.00 C ATOM 566 NH1 ARG A 39 6.732 -4.777 5.847 1.00 0.00 N ATOM 567 NH2 ARG A 39 9.008 -5.071 5.899 1.00 0.00 N ATOM 0 H ARG A 39 4.164 -4.492 0.809 1.00 0.00 H new ATOM 0 HA ARG A 39 6.430 -5.737 -0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.603 -5.720 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.317 -4.115 0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.114 -4.260 2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.039 -5.470 3.278 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.230 -2.757 2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.208 -2.985 4.043 1.00 0.00 H new ATOM 0 HE ARG A 39 8.955 -3.916 3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.895 -4.432 5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.654 -5.240 6.752 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.925 -4.952 5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.926 -5.534 6.804 1.00 0.00 H new ATOM 581 N ASN A 40 6.247 -7.892 0.925 1.00 0.00 N ATOM 582 CA ASN A 40 5.866 -9.226 1.375 1.00 0.00 C ATOM 583 C ASN A 40 6.204 -9.419 2.851 1.00 0.00 C ATOM 584 O ASN A 40 7.339 -9.198 3.273 1.00 0.00 O ATOM 585 CB ASN A 40 6.574 -10.291 0.536 1.00 0.00 C ATOM 586 CG ASN A 40 8.049 -9.993 0.347 1.00 0.00 C ATOM 587 OD1 ASN A 40 8.727 -9.545 1.271 1.00 0.00 O ATOM 588 ND2 ASN A 40 8.553 -10.240 -0.857 1.00 0.00 N ATOM 0 H ASN A 40 7.245 -7.775 0.750 1.00 0.00 H new ATOM 0 HA ASN A 40 4.788 -9.331 1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.461 -11.263 1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.092 -10.360 -0.439 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.539 -10.058 -1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.954 -10.612 -1.594 1.00 0.00 H new ATOM 595 N SER A 41 5.210 -9.832 3.631 1.00 0.00 N ATOM 596 CA SER A 41 5.400 -10.051 5.060 1.00 0.00 C ATOM 597 C SER A 41 6.145 -11.358 5.314 1.00 0.00 C ATOM 598 O SER A 41 5.994 -12.327 4.571 1.00 0.00 O ATOM 599 CB SER A 41 4.049 -10.072 5.778 1.00 0.00 C ATOM 600 OG SER A 41 3.675 -8.772 6.200 1.00 0.00 O ATOM 0 H SER A 41 4.265 -10.022 3.297 1.00 0.00 H new ATOM 0 HA SER A 41 5.999 -9.229 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.286 -10.475 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.102 -10.736 6.641 1.00 0.00 H new ATOM 0 HG SER A 41 2.808 -8.812 6.654 1.00 0.00 H new ATOM 657 N MET A 46 0.274 -13.109 5.057 1.00 0.00 N ATOM 658 CA MET A 46 0.169 -11.713 5.464 1.00 0.00 C ATOM 659 C MET A 46 0.787 -10.793 4.417 1.00 0.00 C ATOM 660 O MET A 46 1.583 -11.229 3.585 1.00 0.00 O ATOM 661 CB MET A 46 0.855 -11.500 6.815 1.00 0.00 C ATOM 662 CG MET A 46 0.055 -12.028 7.994 1.00 0.00 C ATOM 663 SD MET A 46 -1.340 -10.966 8.417 1.00 0.00 S ATOM 664 CE MET A 46 -2.696 -12.132 8.314 1.00 0.00 C ATOM 0 HA MET A 46 -0.889 -11.467 5.559 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.829 -11.989 6.799 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.036 -10.435 6.957 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.312 -13.028 7.761 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.710 -12.123 8.860 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.639 -11.589 8.248 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.574 -12.755 7.428 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.702 -12.763 9.203 1.00 0.00 H new ATOM 674 N TYR A 47 0.416 -9.518 4.461 1.00 0.00 N ATOM 675 CA TYR A 47 0.931 -8.538 3.513 1.00 0.00 C ATOM 676 C TYR A 47 0.887 -7.132 4.105 1.00 0.00 C ATOM 677 O TYR A 47 -0.060 -6.768 4.802 1.00 0.00 O ATOM 678 CB TYR A 47 0.126 -8.581 2.213 1.00 0.00 C ATOM 679 CG TYR A 47 0.571 -9.670 1.262 1.00 0.00 C ATOM 680 CD1 TYR A 47 1.664 -9.484 0.425 1.00 0.00 C ATOM 681 CD2 TYR A 47 -0.103 -10.883 1.200 1.00 0.00 C ATOM 682 CE1 TYR A 47 2.074 -10.474 -0.446 1.00 0.00 C ATOM 683 CE2 TYR A 47 0.300 -11.880 0.333 1.00 0.00 C ATOM 684 CZ TYR A 47 1.388 -11.671 -0.488 1.00 0.00 C ATOM 685 OH TYR A 47 1.792 -12.661 -1.354 1.00 0.00 O ATOM 0 H TYR A 47 -0.240 -9.139 5.144 1.00 0.00 H new ATOM 0 HA TYR A 47 1.969 -8.790 3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.927 -8.727 2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.208 -7.616 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.203 -8.548 0.456 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.957 -11.049 1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.926 -10.313 -1.090 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.234 -12.818 0.298 1.00 0.00 H new ATOM 0 HH TYR A 47 1.204 -13.439 -1.258 1.00 0.00 H new ATOM 695 N THR A 48 1.920 -6.345 3.821 1.00 0.00 N ATOM 696 CA THR A 48 2.002 -4.980 4.325 1.00 0.00 C ATOM 697 C THR A 48 1.885 -3.968 3.191 1.00 0.00 C ATOM 698 O THR A 48 2.331 -4.220 2.071 1.00 0.00 O ATOM 699 CB THR A 48 3.322 -4.737 5.080 1.00 0.00 C ATOM 700 OG1 THR A 48 3.513 -5.752 6.072 1.00 0.00 O ATOM 701 CG2 THR A 48 3.322 -3.368 5.743 1.00 0.00 C ATOM 0 H THR A 48 2.712 -6.630 3.244 1.00 0.00 H new ATOM 0 HA THR A 48 1.169 -4.848 5.015 1.00 0.00 H new ATOM 0 HB THR A 48 4.139 -4.775 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.636 -6.620 5.633 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.264 -3.219 6.270 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.205 -2.596 4.983 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.496 -3.307 6.452 1.00 0.00 H new ATOM 709 N VAL A 49 1.283 -2.820 3.487 1.00 0.00 N ATOM 710 CA VAL A 49 1.110 -1.769 2.492 1.00 0.00 C ATOM 711 C VAL A 49 1.547 -0.415 3.042 1.00 0.00 C ATOM 712 O VAL A 49 0.825 0.216 3.815 1.00 0.00 O ATOM 713 CB VAL A 49 -0.355 -1.672 2.026 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.519 -0.558 1.005 1.00 0.00 C ATOM 715 CG2 VAL A 49 -0.820 -3.003 1.456 1.00 0.00 C ATOM 0 H VAL A 49 0.907 -2.595 4.408 1.00 0.00 H new ATOM 0 HA VAL A 49 1.737 -2.033 1.641 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.978 -1.434 2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.561 -0.505 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.228 0.392 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.113 -0.761 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.857 -2.917 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.195 -3.273 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.742 -3.774 2.222 1.00 0.00 H new ATOM 725 N SER A 50 2.733 0.027 2.636 1.00 0.00 N ATOM 726 CA SER A 50 3.269 1.305 3.090 1.00 0.00 C ATOM 727 C SER A 50 3.228 2.340 1.970 1.00 0.00 C ATOM 728 O SER A 50 4.019 2.283 1.028 1.00 0.00 O ATOM 729 CB SER A 50 4.705 1.132 3.589 1.00 0.00 C ATOM 730 OG SER A 50 4.778 0.143 4.601 1.00 0.00 O ATOM 0 H SER A 50 3.341 -0.481 1.994 1.00 0.00 H new ATOM 0 HA SER A 50 2.647 1.660 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.351 0.853 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.075 2.081 3.976 1.00 0.00 H new ATOM 0 HG SER A 50 5.706 0.050 4.902 1.00 0.00 H new ATOM 736 N LEU A 51 2.300 3.284 2.080 1.00 0.00 N ATOM 737 CA LEU A 51 2.155 4.333 1.076 1.00 0.00 C ATOM 738 C LEU A 51 2.649 5.672 1.612 1.00 0.00 C ATOM 739 O LEU A 51 2.604 5.925 2.817 1.00 0.00 O ATOM 740 CB LEU A 51 0.693 4.453 0.643 1.00 0.00 C ATOM 741 CG LEU A 51 -0.217 5.263 1.567 1.00 0.00 C ATOM 742 CD1 LEU A 51 -0.210 6.730 1.170 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.634 4.708 1.541 1.00 0.00 C ATOM 0 H LEU A 51 1.637 3.345 2.853 1.00 0.00 H new ATOM 0 HA LEU A 51 2.763 4.062 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.665 4.905 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.280 3.449 0.548 1.00 0.00 H new ATOM 0 HG LEU A 51 0.165 5.181 2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.863 7.291 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.805 7.121 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.567 6.831 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.268 5.297 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.026 4.759 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.625 3.670 1.875 1.00 0.00 H new ATOM 755 N PHE A 52 3.118 6.529 0.711 1.00 0.00 N ATOM 756 CA PHE A 52 3.620 7.844 1.095 1.00 0.00 C ATOM 757 C PHE A 52 2.539 8.908 0.925 1.00 0.00 C ATOM 758 O PHE A 52 1.633 8.763 0.105 1.00 0.00 O ATOM 759 CB PHE A 52 4.847 8.208 0.256 1.00 0.00 C ATOM 760 CG PHE A 52 5.211 9.665 0.329 1.00 0.00 C ATOM 761 CD1 PHE A 52 6.009 10.142 1.356 1.00 0.00 C ATOM 762 CD2 PHE A 52 4.754 10.555 -0.629 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.346 11.480 1.426 1.00 0.00 C ATOM 764 CE2 PHE A 52 5.089 11.894 -0.565 1.00 0.00 C ATOM 765 CZ PHE A 52 5.884 12.358 0.465 1.00 0.00 C ATOM 0 H PHE A 52 3.161 6.337 -0.290 1.00 0.00 H new ATOM 0 HA PHE A 52 3.905 7.806 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.696 7.612 0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.659 7.940 -0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.372 9.460 2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.129 10.199 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.970 11.839 2.231 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.729 12.578 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.144 13.405 0.519 1.00 0.00 H new ATOM 775 N SER A 53 2.643 9.977 1.709 1.00 0.00 N ATOM 776 CA SER A 53 1.674 11.064 1.650 1.00 0.00 C ATOM 777 C SER A 53 2.180 12.286 2.412 1.00 0.00 C ATOM 778 O SER A 53 2.697 12.169 3.523 1.00 0.00 O ATOM 779 CB SER A 53 0.331 10.611 2.227 1.00 0.00 C ATOM 780 OG SER A 53 -0.696 11.539 1.922 1.00 0.00 O ATOM 0 H SER A 53 3.388 10.113 2.392 1.00 0.00 H new ATOM 0 HA SER A 53 1.538 11.339 0.604 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.071 9.632 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.415 10.500 3.308 1.00 0.00 H new ATOM 0 HG SER A 53 -1.372 11.524 2.632 1.00 0.00 H new ATOM 786 N LYS A 54 2.027 13.458 1.805 1.00 0.00 N ATOM 787 CA LYS A 54 2.467 14.703 2.424 1.00 0.00 C ATOM 788 C LYS A 54 1.275 15.596 2.758 1.00 0.00 C ATOM 789 O LYS A 54 0.442 15.879 1.898 1.00 0.00 O ATOM 790 CB LYS A 54 3.430 15.446 1.496 1.00 0.00 C ATOM 791 CG LYS A 54 3.862 16.801 2.026 1.00 0.00 C ATOM 792 CD LYS A 54 4.996 16.673 3.028 1.00 0.00 C ATOM 793 CE LYS A 54 5.835 17.941 3.087 1.00 0.00 C ATOM 794 NZ LYS A 54 7.155 17.703 3.735 1.00 0.00 N ATOM 0 H LYS A 54 1.602 13.572 0.885 1.00 0.00 H new ATOM 0 HA LYS A 54 2.984 14.455 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.314 14.829 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.954 15.580 0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.178 17.433 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.013 17.296 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.588 16.460 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.630 15.829 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.989 18.322 2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.293 18.710 3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.256 18.331 4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.215 16.713 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.916 17.899 3.054 1.00 0.00 H new ATOM 904 N GLY A 61 7.667 14.758 4.848 1.00 0.00 N ATOM 905 CA GLY A 61 6.614 13.817 4.512 1.00 0.00 C ATOM 906 C GLY A 61 6.646 12.576 5.381 1.00 0.00 C ATOM 907 O GLY A 61 7.700 11.968 5.571 1.00 0.00 O ATOM 0 HA2 GLY A 61 5.646 14.307 4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.711 13.527 3.466 1.00 0.00 H new ATOM 911 N THR A 62 5.488 12.198 5.913 1.00 0.00 N ATOM 912 CA THR A 62 5.387 11.023 6.770 1.00 0.00 C ATOM 913 C THR A 62 4.710 9.868 6.042 1.00 0.00 C ATOM 914 O THR A 62 3.636 10.030 5.463 1.00 0.00 O ATOM 915 CB THR A 62 4.602 11.333 8.059 1.00 0.00 C ATOM 916 OG1 THR A 62 4.960 12.630 8.550 1.00 0.00 O ATOM 917 CG2 THR A 62 4.879 10.285 9.126 1.00 0.00 C ATOM 0 H THR A 62 4.606 12.689 5.765 1.00 0.00 H new ATOM 0 HA THR A 62 6.405 10.736 7.034 1.00 0.00 H new ATOM 0 HB THR A 62 3.538 11.316 7.824 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.456 12.821 9.368 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.314 10.525 10.027 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.578 9.304 8.759 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.944 10.274 9.358 1.00 0.00 H new ATOM 925 N VAL A 63 5.345 8.700 6.075 1.00 0.00 N ATOM 926 CA VAL A 63 4.802 7.516 5.420 1.00 0.00 C ATOM 927 C VAL A 63 3.855 6.761 6.345 1.00 0.00 C ATOM 928 O VAL A 63 4.116 6.620 7.540 1.00 0.00 O ATOM 929 CB VAL A 63 5.923 6.564 4.963 1.00 0.00 C ATOM 930 CG1 VAL A 63 5.339 5.345 4.267 1.00 0.00 C ATOM 931 CG2 VAL A 63 6.900 7.290 4.051 1.00 0.00 C ATOM 0 H VAL A 63 6.236 8.549 6.548 1.00 0.00 H new ATOM 0 HA VAL A 63 4.251 7.863 4.546 1.00 0.00 H new ATOM 0 HB VAL A 63 6.467 6.224 5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.147 4.684 3.952 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.683 4.813 4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.768 5.663 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.685 6.602 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.371 7.661 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.345 8.128 4.588 1.00 0.00 H new ATOM 941 N LYS A 64 2.751 6.276 5.785 1.00 0.00 N ATOM 942 CA LYS A 64 1.764 5.533 6.558 1.00 0.00 C ATOM 943 C LYS A 64 1.868 4.037 6.279 1.00 0.00 C ATOM 944 O LYS A 64 2.069 3.621 5.137 1.00 0.00 O ATOM 945 CB LYS A 64 0.352 6.028 6.232 1.00 0.00 C ATOM 946 CG LYS A 64 -0.041 7.286 6.984 1.00 0.00 C ATOM 947 CD LYS A 64 0.357 8.539 6.222 1.00 0.00 C ATOM 948 CE LYS A 64 0.304 9.772 7.111 1.00 0.00 C ATOM 949 NZ LYS A 64 0.913 10.960 6.449 1.00 0.00 N ATOM 0 H LYS A 64 2.518 6.385 4.798 1.00 0.00 H new ATOM 0 HA LYS A 64 1.966 5.702 7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.281 6.218 5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.363 5.238 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.118 7.289 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.435 7.289 7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.365 8.419 5.824 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.309 8.675 5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.733 9.991 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.827 9.569 8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.028 11.724 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.843 10.703 6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.294 11.283 5.678 1.00 0.00 H new ATOM 963 N HIS A 65 1.727 3.233 7.328 1.00 0.00 N ATOM 964 CA HIS A 65 1.803 1.782 7.194 1.00 0.00 C ATOM 965 C HIS A 65 0.448 1.139 7.475 1.00 0.00 C ATOM 966 O HIS A 65 -0.330 1.637 8.290 1.00 0.00 O ATOM 967 CB HIS A 65 2.856 1.215 8.146 1.00 0.00 C ATOM 968 CG HIS A 65 2.776 1.778 9.532 1.00 0.00 C ATOM 969 ND1 HIS A 65 1.742 1.497 10.399 1.00 0.00 N ATOM 970 CD2 HIS A 65 3.609 2.609 10.200 1.00 0.00 C ATOM 971 CE1 HIS A 65 1.942 2.132 11.540 1.00 0.00 C ATOM 972 NE2 HIS A 65 3.069 2.814 11.446 1.00 0.00 N ATOM 0 H HIS A 65 1.560 3.561 8.279 1.00 0.00 H new ATOM 0 HA HIS A 65 2.090 1.551 6.168 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.743 0.132 8.196 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.847 1.414 7.738 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.528 3.033 9.823 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.294 2.099 12.403 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.472 3.398 12.179 1.00 0.00 H new ATOM 981 N TYR A 66 0.171 0.033 6.794 1.00 0.00 N ATOM 982 CA TYR A 66 -1.091 -0.677 6.967 1.00 0.00 C ATOM 983 C TYR A 66 -0.906 -2.177 6.758 1.00 0.00 C ATOM 984 O TYR A 66 -0.636 -2.631 5.646 1.00 0.00 O ATOM 985 CB TYR A 66 -2.141 -0.140 5.993 1.00 0.00 C ATOM 986 CG TYR A 66 -2.361 1.352 6.102 1.00 0.00 C ATOM 987 CD1 TYR A 66 -3.125 1.887 7.133 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.807 2.227 5.176 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.330 3.250 7.237 1.00 0.00 C ATOM 990 CE2 TYR A 66 -2.007 3.591 5.273 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.768 4.097 6.305 1.00 0.00 C ATOM 992 OH TYR A 66 -2.970 5.454 6.404 1.00 0.00 O ATOM 0 H TYR A 66 0.804 -0.392 6.116 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.434 -0.511 7.988 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.836 -0.380 4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.086 -0.652 6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.566 1.226 7.865 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.210 1.834 4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.927 3.649 8.044 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.569 4.257 4.544 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.505 5.908 5.670 1.00 0.00 H new ATOM 1002 N HIS A 67 -1.055 -2.941 7.835 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.907 -4.390 7.771 1.00 0.00 C ATOM 1004 C HIS A 67 -2.233 -5.057 7.416 1.00 0.00 C ATOM 1005 O HIS A 67 -3.289 -4.664 7.911 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.392 -4.930 9.106 1.00 0.00 C ATOM 1007 CG HIS A 67 1.057 -4.642 9.350 1.00 0.00 C ATOM 1008 ND1 HIS A 67 1.640 -3.424 9.068 1.00 0.00 N ATOM 1009 CD2 HIS A 67 2.042 -5.420 9.854 1.00 0.00 C ATOM 1010 CE1 HIS A 67 2.921 -3.468 9.387 1.00 0.00 C ATOM 1011 NE2 HIS A 67 3.191 -4.668 9.868 1.00 0.00 N ATOM 0 H HIS A 67 -1.278 -2.581 8.763 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.183 -4.623 6.990 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.981 -4.498 9.915 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.550 -6.008 9.138 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.943 -6.443 10.184 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.628 -2.659 9.274 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.103 -4.984 10.196 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.169 -6.068 6.555 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.364 -6.789 6.134 1.00 0.00 C ATOM 1022 C VAL A 68 -3.774 -7.827 7.173 1.00 0.00 C ATOM 1023 O VAL A 68 -2.977 -8.681 7.562 1.00 0.00 O ATOM 1024 CB VAL A 68 -3.148 -7.491 4.781 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -4.443 -8.121 4.292 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -2.602 -6.511 3.754 1.00 0.00 C ATOM 0 H VAL A 68 -1.303 -6.406 6.136 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.159 -6.051 6.029 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.415 -8.286 4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.270 -8.612 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.788 -8.856 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.201 -7.347 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.455 -7.024 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.310 -5.693 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.649 -6.113 4.102 1.00 0.00 H new ATOM 1036 N HIS A 69 -5.024 -7.748 7.619 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.541 -8.682 8.613 1.00 0.00 C ATOM 1038 C HIS A 69 -6.572 -9.620 7.992 1.00 0.00 C ATOM 1039 O HIS A 69 -7.505 -9.178 7.320 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.167 -7.921 9.782 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.208 -7.006 10.482 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -3.965 -7.411 10.918 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -5.317 -5.700 10.818 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -3.350 -6.393 11.495 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -4.149 -5.342 11.447 1.00 0.00 N ATOM 0 H HIS A 69 -5.697 -7.047 7.308 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.707 -9.279 8.982 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.011 -7.337 9.415 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.564 -8.638 10.501 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.164 -5.058 10.627 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.362 -6.416 11.931 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -3.934 -4.416 11.817 1.00 0.00 H new ATOM 1054 N THR A 70 -6.398 -10.918 8.221 1.00 0.00 N ATOM 1055 CA THR A 70 -7.311 -11.918 7.683 1.00 0.00 C ATOM 1056 C THR A 70 -8.507 -12.124 8.605 1.00 0.00 C ATOM 1057 O THR A 70 -8.413 -11.915 9.815 1.00 0.00 O ATOM 1058 CB THR A 70 -6.603 -13.270 7.471 1.00 0.00 C ATOM 1059 OG1 THR A 70 -5.283 -13.056 6.958 1.00 0.00 O ATOM 1060 CG2 THR A 70 -7.390 -14.149 6.510 1.00 0.00 C ATOM 0 H THR A 70 -5.633 -11.301 8.776 1.00 0.00 H new ATOM 0 HA THR A 70 -7.658 -11.543 6.720 1.00 0.00 H new ATOM 0 HB THR A 70 -6.541 -13.777 8.434 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.839 -13.920 6.828 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.870 -15.098 6.376 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.384 -14.334 6.917 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.480 -13.646 5.547 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.631 -12.533 8.027 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.847 -12.767 8.798 1.00 0.00 C ATOM 1070 C ASN A 71 -11.115 -14.260 8.952 1.00 0.00 C ATOM 1071 O ASN A 71 -10.320 -15.092 8.516 1.00 0.00 O ATOM 1072 CB ASN A 71 -12.042 -12.090 8.125 1.00 0.00 C ATOM 1073 CG ASN A 71 -13.147 -11.755 9.108 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -12.942 -11.778 10.321 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -14.327 -11.442 8.585 1.00 0.00 N ATOM 0 H ASN A 71 -9.726 -12.709 7.027 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.706 -12.337 9.790 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.708 -11.177 7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.437 -12.745 7.348 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.110 -11.208 9.196 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.451 -11.436 7.573 1.00 0.00 H new ATOM 1082 N ALA A 72 -12.241 -14.594 9.575 1.00 0.00 N ATOM 1083 CA ALA A 72 -12.616 -15.986 9.784 1.00 0.00 C ATOM 1084 C ALA A 72 -12.828 -16.704 8.455 1.00 0.00 C ATOM 1085 O ALA A 72 -12.478 -17.874 8.309 1.00 0.00 O ATOM 1086 CB ALA A 72 -13.871 -16.073 10.640 1.00 0.00 C ATOM 0 H ALA A 72 -12.910 -13.918 9.944 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.798 -16.481 10.308 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.139 -17.119 10.788 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.685 -15.606 11.607 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.690 -15.556 10.139 1.00 0.00 H new ATOM 1092 N GLU A 73 -13.405 -15.993 7.491 1.00 0.00 N ATOM 1093 CA GLU A 73 -13.666 -16.563 6.174 1.00 0.00 C ATOM 1094 C GLU A 73 -12.494 -16.311 5.230 1.00 0.00 C ATOM 1095 O GLU A 73 -12.670 -16.213 4.017 1.00 0.00 O ATOM 1096 CB GLU A 73 -14.948 -15.973 5.583 1.00 0.00 C ATOM 1097 CG GLU A 73 -16.218 -16.578 6.156 1.00 0.00 C ATOM 1098 CD GLU A 73 -17.471 -15.888 5.655 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -17.425 -14.658 5.443 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -18.497 -16.576 5.475 1.00 0.00 O ATOM 0 H GLU A 73 -13.700 -15.022 7.597 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.791 -17.640 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.957 -14.897 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.941 -16.120 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.262 -17.636 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.185 -16.519 7.244 1.00 0.00 H new ATOM 1107 N ASN A 74 -11.297 -16.207 5.798 1.00 0.00 N ATOM 1108 CA ASN A 74 -10.094 -15.965 5.008 1.00 0.00 C ATOM 1109 C ASN A 74 -10.248 -14.709 4.156 1.00 0.00 C ATOM 1110 O ASN A 74 -9.893 -14.698 2.977 1.00 0.00 O ATOM 1111 CB ASN A 74 -9.796 -17.170 4.113 1.00 0.00 C ATOM 1112 CG ASN A 74 -9.288 -18.362 4.898 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -8.225 -18.305 5.515 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -10.047 -19.451 4.878 1.00 0.00 N ATOM 0 H ASN A 74 -11.134 -16.286 6.802 1.00 0.00 H new ATOM 0 HA ASN A 74 -9.261 -15.817 5.695 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.701 -17.452 3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -9.055 -16.889 3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.756 -20.285 5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.921 -19.454 4.353 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.779 -13.652 4.759 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.978 -12.389 4.059 1.00 0.00 C ATOM 1123 C LYS A 75 -9.854 -11.407 4.376 1.00 0.00 C ATOM 1124 O LYS A 75 -9.524 -11.180 5.541 1.00 0.00 O ATOM 1125 CB LYS A 75 -12.327 -11.777 4.442 1.00 0.00 C ATOM 1126 CG LYS A 75 -13.519 -12.550 3.908 1.00 0.00 C ATOM 1127 CD LYS A 75 -13.893 -12.101 2.505 1.00 0.00 C ATOM 1128 CE LYS A 75 -14.700 -13.164 1.776 1.00 0.00 C ATOM 1129 NZ LYS A 75 -14.621 -13.004 0.297 1.00 0.00 N ATOM 0 H LYS A 75 -11.080 -13.645 5.734 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.968 -12.591 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.397 -11.723 5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.371 -10.754 4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.289 -13.615 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.371 -12.412 4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.470 -11.178 2.559 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.988 -11.878 1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.334 -14.152 2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.742 -13.109 2.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.184 -13.747 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.994 -12.071 0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.630 -13.082 -0.008 1.00 0.00 H new ATOM 1143 N LEU A 76 -9.269 -10.828 3.333 1.00 0.00 N ATOM 1144 CA LEU A 76 -8.182 -9.869 3.500 1.00 0.00 C ATOM 1145 C LEU A 76 -8.706 -8.438 3.449 1.00 0.00 C ATOM 1146 O LEU A 76 -9.711 -8.157 2.796 1.00 0.00 O ATOM 1147 CB LEU A 76 -7.121 -10.076 2.417 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.923 -11.514 1.938 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -6.293 -11.534 0.555 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -6.067 -12.292 2.927 1.00 0.00 C ATOM 0 H LEU A 76 -9.529 -11.006 2.363 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.730 -10.036 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.384 -9.461 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.168 -9.706 2.795 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.900 -11.994 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.160 -12.566 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.943 -11.014 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.324 -11.037 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.936 -13.314 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.092 -11.813 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.558 -12.308 3.900 1.00 0.00 H new ATOM 1162 N TYR A 77 -8.017 -7.536 4.140 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.414 -6.134 4.172 1.00 0.00 C ATOM 1164 C TYR A 77 -7.345 -5.282 4.852 1.00 0.00 C ATOM 1165 O TYR A 77 -6.635 -5.750 5.743 1.00 0.00 O ATOM 1166 CB TYR A 77 -9.747 -5.976 4.903 1.00 0.00 C ATOM 1167 CG TYR A 77 -9.787 -6.664 6.249 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -10.042 -8.027 6.345 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -9.570 -5.954 7.421 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -10.079 -8.661 7.572 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -9.604 -6.580 8.653 1.00 0.00 C ATOM 1172 CZ TYR A 77 -9.859 -7.933 8.723 1.00 0.00 C ATOM 1173 OH TYR A 77 -9.895 -8.560 9.948 1.00 0.00 O ATOM 0 H TYR A 77 -7.182 -7.751 4.685 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.529 -5.791 3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.952 -4.914 5.041 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.544 -6.376 4.277 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.214 -8.600 5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.371 -4.894 7.370 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.279 -9.721 7.630 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.432 -6.012 9.556 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.719 -7.906 10.656 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.237 -4.028 4.424 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.256 -3.108 4.991 1.00 0.00 C ATOM 1185 C LEU A 78 -6.874 -2.274 6.108 1.00 0.00 C ATOM 1186 O LEU A 78 -6.233 -2.011 7.125 1.00 0.00 O ATOM 1187 CB LEU A 78 -5.701 -2.190 3.901 1.00 0.00 C ATOM 1188 CG LEU A 78 -4.790 -2.850 2.866 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.499 -1.892 1.721 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -3.494 -3.315 3.516 1.00 0.00 C ATOM 0 H LEU A 78 -7.816 -3.626 3.687 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.441 -3.697 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.540 -1.733 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.147 -1.383 4.381 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.305 -3.721 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.849 -2.380 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.434 -1.608 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.005 -1.001 2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.857 -3.782 2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.976 -2.459 3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.719 -4.037 4.301 1.00 0.00 H new ATOM 1202 N ALA A 79 -8.123 -1.865 5.913 1.00 0.00 N ATOM 1203 CA ALA A 79 -8.829 -1.065 6.907 1.00 0.00 C ATOM 1204 C ALA A 79 -9.915 -1.882 7.599 1.00 0.00 C ATOM 1205 O ALA A 79 -10.467 -2.816 7.016 1.00 0.00 O ATOM 1206 CB ALA A 79 -9.429 0.173 6.258 1.00 0.00 C ATOM 0 H ALA A 79 -8.667 -2.074 5.076 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.109 -0.752 7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.953 0.761 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.634 0.774 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.131 -0.128 5.480 1.00 0.00 H new ATOM 1212 N GLU A 80 -10.217 -1.524 8.842 1.00 0.00 N ATOM 1213 CA GLU A 80 -11.237 -2.226 9.612 1.00 0.00 C ATOM 1214 C GLU A 80 -12.630 -1.939 9.059 1.00 0.00 C ATOM 1215 O GLU A 80 -12.898 -0.847 8.561 1.00 0.00 O ATOM 1216 CB GLU A 80 -11.168 -1.817 11.085 1.00 0.00 C ATOM 1217 CG GLU A 80 -9.840 -2.145 11.746 1.00 0.00 C ATOM 1218 CD GLU A 80 -9.906 -2.066 13.259 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -10.448 -3.005 13.879 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -9.417 -1.066 13.823 1.00 0.00 O ATOM 0 H GLU A 80 -9.770 -0.752 9.338 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.045 -3.296 9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.349 -0.745 11.165 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.969 -2.317 11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.530 -3.148 11.451 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.078 -1.456 11.383 1.00 0.00 H new ATOM 1227 N ASN A 81 -13.511 -2.930 9.149 1.00 0.00 N ATOM 1228 CA ASN A 81 -14.876 -2.786 8.655 1.00 0.00 C ATOM 1229 C ASN A 81 -14.907 -2.788 7.130 1.00 0.00 C ATOM 1230 O ASN A 81 -15.773 -2.164 6.515 1.00 0.00 O ATOM 1231 CB ASN A 81 -15.499 -1.494 9.189 1.00 0.00 C ATOM 1232 CG ASN A 81 -14.985 -1.130 10.568 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -14.816 -1.995 11.428 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -14.734 0.156 10.785 1.00 0.00 N ATOM 0 H ASN A 81 -13.305 -3.841 9.559 1.00 0.00 H new ATOM 0 HA ASN A 81 -15.457 -3.636 9.012 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -15.285 -0.679 8.498 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -16.583 -1.605 9.226 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -14.386 0.461 11.694 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -14.889 0.838 10.043 1.00 0.00 H new ATOM 1241 N TYR A 82 -13.957 -3.493 6.526 1.00 0.00 N ATOM 1242 CA TYR A 82 -13.873 -3.574 5.072 1.00 0.00 C ATOM 1243 C TYR A 82 -13.434 -4.966 4.629 1.00 0.00 C ATOM 1244 O TYR A 82 -12.724 -5.664 5.353 1.00 0.00 O ATOM 1245 CB TYR A 82 -12.898 -2.525 4.537 1.00 0.00 C ATOM 1246 CG TYR A 82 -13.472 -1.127 4.501 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -14.308 -0.725 3.466 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -13.178 -0.207 5.500 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -14.835 0.553 3.428 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -13.701 1.072 5.471 1.00 0.00 C ATOM 1251 CZ TYR A 82 -14.529 1.446 4.433 1.00 0.00 C ATOM 1252 OH TYR A 82 -15.051 2.719 4.399 1.00 0.00 O ATOM 0 H TYR A 82 -13.234 -4.017 7.020 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.865 -3.379 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.002 -2.525 5.157 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.589 -2.808 3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.550 -1.423 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.529 -0.497 6.314 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -15.482 0.850 2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.463 1.774 6.256 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.739 3.221 5.180 1.00 0.00 H new ATOM 1262 N CYS A 83 -13.862 -5.362 3.436 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.513 -6.671 2.894 1.00 0.00 C ATOM 1264 C CYS A 83 -13.326 -6.601 1.383 1.00 0.00 C ATOM 1265 O CYS A 83 -14.185 -6.091 0.662 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.597 -7.693 3.239 1.00 0.00 C ATOM 1267 SG CYS A 83 -16.236 -7.277 2.598 1.00 0.00 S ATOM 0 H CYS A 83 -14.451 -4.796 2.825 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.571 -6.985 3.344 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -14.302 -8.666 2.847 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.657 -7.791 4.323 1.00 0.00 H new ATOM 0 HG CYS A 83 -16.112 -6.610 1.489 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.197 -7.117 0.907 1.00 0.00 N ATOM 1274 CA PHE A 84 -11.895 -7.111 -0.519 1.00 0.00 C ATOM 1275 C PHE A 84 -11.737 -8.534 -1.048 1.00 0.00 C ATOM 1276 O PHE A 84 -11.807 -9.500 -0.289 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.619 -6.310 -0.789 1.00 0.00 C ATOM 1278 CG PHE A 84 -10.755 -4.845 -0.488 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -11.213 -3.967 -1.455 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -10.424 -4.348 0.762 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -11.340 -2.617 -1.181 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -10.549 -3.001 1.042 1.00 0.00 C ATOM 1283 CZ PHE A 84 -11.007 -2.134 0.069 1.00 0.00 C ATOM 0 H PHE A 84 -11.476 -7.545 1.489 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.729 -6.639 -1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.807 -6.722 -0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.337 -6.433 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.474 -4.340 -2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.064 -5.021 1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.699 -1.942 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.289 -2.626 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.104 -1.080 0.286 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.528 -8.653 -2.355 1.00 0.00 N ATOM 1294 CA ASP A 85 -11.360 -9.957 -2.986 1.00 0.00 C ATOM 1295 C ASP A 85 -9.955 -10.501 -2.746 1.00 0.00 C ATOM 1296 O ASP A 85 -9.783 -11.662 -2.374 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.633 -9.858 -4.488 1.00 0.00 C ATOM 1298 CG ASP A 85 -11.714 -11.220 -5.151 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -10.659 -11.867 -5.310 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -12.835 -11.637 -5.513 1.00 0.00 O ATOM 0 H ASP A 85 -11.471 -7.863 -2.997 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.077 -10.645 -2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.568 -9.322 -4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.844 -9.273 -4.960 1.00 0.00 H new ATOM 1305 N SER A 86 -8.954 -9.654 -2.960 1.00 0.00 N ATOM 1306 CA SER A 86 -7.563 -10.051 -2.772 1.00 0.00 C ATOM 1307 C SER A 86 -6.655 -8.828 -2.695 1.00 0.00 C ATOM 1308 O SER A 86 -7.113 -7.692 -2.819 1.00 0.00 O ATOM 1309 CB SER A 86 -7.112 -10.964 -3.914 1.00 0.00 C ATOM 1310 OG SER A 86 -7.976 -12.080 -4.045 1.00 0.00 O ATOM 0 H SER A 86 -9.080 -8.688 -3.264 1.00 0.00 H new ATOM 0 HA SER A 86 -7.491 -10.596 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.094 -10.402 -4.848 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.094 -11.308 -3.729 1.00 0.00 H new ATOM 0 HG SER A 86 -8.379 -12.285 -3.176 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.364 -9.069 -2.491 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.391 -7.988 -2.399 1.00 0.00 C ATOM 1318 C ILE A 87 -4.376 -7.152 -3.674 1.00 0.00 C ATOM 1319 O ILE A 87 -4.603 -5.941 -3.655 1.00 0.00 O ATOM 1320 CB ILE A 87 -2.972 -8.529 -2.136 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.709 -8.625 -0.632 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -1.935 -7.639 -2.804 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -3.547 -9.677 0.061 1.00 0.00 C ATOM 0 H ILE A 87 -4.968 -10.003 -2.386 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.694 -7.361 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.895 -9.529 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.654 -8.847 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.906 -7.656 -0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.938 -8.033 -2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.113 -7.616 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.010 -6.628 -2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.308 -9.690 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.604 -9.445 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.333 -10.655 -0.370 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.104 -7.810 -4.810 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.055 -7.146 -6.117 1.00 0.00 C ATOM 1337 C PRO A 88 -5.433 -6.699 -6.591 1.00 0.00 C ATOM 1338 O PRO A 88 -5.552 -5.860 -7.485 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.496 -8.229 -7.043 1.00 0.00 C ATOM 1340 CG PRO A 88 -3.864 -9.516 -6.388 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.823 -9.252 -4.907 1.00 0.00 C ATOM 0 HA PRO A 88 -3.455 -6.237 -6.091 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.926 -8.156 -8.042 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.416 -8.136 -7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.856 -9.843 -6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.167 -10.308 -6.663 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.567 -9.843 -4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.851 -9.502 -4.481 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.474 -7.262 -5.987 1.00 0.00 N ATOM 1350 CA LYS A 89 -7.844 -6.920 -6.346 1.00 0.00 C ATOM 1351 C LYS A 89 -8.383 -5.812 -5.446 1.00 0.00 C ATOM 1352 O LYS A 89 -9.408 -5.200 -5.744 1.00 0.00 O ATOM 1353 CB LYS A 89 -8.744 -8.155 -6.244 1.00 0.00 C ATOM 1354 CG LYS A 89 -8.384 -9.252 -7.231 1.00 0.00 C ATOM 1355 CD LYS A 89 -9.591 -10.104 -7.583 1.00 0.00 C ATOM 1356 CE LYS A 89 -10.376 -9.507 -8.741 1.00 0.00 C ATOM 1357 NZ LYS A 89 -9.864 -9.977 -10.058 1.00 0.00 N ATOM 0 H LYS A 89 -6.394 -7.958 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.843 -6.561 -7.375 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.685 -8.555 -5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.779 -7.855 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.975 -8.807 -8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.604 -9.883 -6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.264 -11.110 -7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.239 -10.196 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.428 -9.775 -8.643 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.319 -8.419 -8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.425 -9.548 -10.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.867 -9.699 -10.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.942 -11.013 -10.111 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.682 -5.557 -4.346 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.088 -4.521 -3.403 1.00 0.00 C ATOM 1373 C LEU A 90 -7.463 -3.179 -3.768 1.00 0.00 C ATOM 1374 O LEU A 90 -8.076 -2.126 -3.580 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.688 -4.914 -1.980 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.381 -3.758 -1.026 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.462 -4.223 0.419 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.009 -3.171 -1.324 1.00 0.00 C ATOM 0 H LEU A 90 -6.830 -6.054 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.172 -4.422 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.492 -5.510 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.809 -5.556 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.128 -2.979 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.241 -3.387 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.465 -4.595 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.738 -5.021 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.807 -2.350 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.249 -3.942 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.987 -2.800 -2.349 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.243 -3.223 -4.291 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.537 -2.010 -4.686 1.00 0.00 C ATOM 1392 C ILE A 91 -6.285 -1.273 -5.792 1.00 0.00 C ATOM 1393 O ILE A 91 -6.554 -0.077 -5.684 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.108 -2.322 -5.167 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.262 -2.857 -4.010 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.468 -1.079 -5.768 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.128 -1.884 -2.859 1.00 0.00 C ATOM 0 H ILE A 91 -5.722 -4.085 -4.451 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.483 -1.374 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.160 -3.090 -5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.706 -3.782 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.268 -3.106 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.458 -1.316 -6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.062 -0.738 -6.616 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.425 -0.292 -5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.516 -2.330 -2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.656 -0.967 -3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.116 -1.653 -2.461 1.00 0.00 H new ATOM 1409 N HIS A 92 -6.619 -1.997 -6.855 1.00 0.00 N ATOM 1410 CA HIS A 92 -7.339 -1.413 -7.982 1.00 0.00 C ATOM 1411 C HIS A 92 -8.467 -0.508 -7.495 1.00 0.00 C ATOM 1412 O HIS A 92 -8.631 0.612 -7.981 1.00 0.00 O ATOM 1413 CB HIS A 92 -7.904 -2.514 -8.879 1.00 0.00 C ATOM 1414 CG HIS A 92 -8.598 -1.994 -10.101 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -9.770 -1.331 -10.239 1.00 0.00 N flip ATOM 1416 CD2 HIS A 92 -8.087 -2.135 -11.374 1.00 0.00 C flip ATOM 1417 CE1 HIS A 92 -9.943 -1.086 -11.579 1.00 0.00 C flip ATOM 1418 NE2 HIS A 92 -8.914 -1.581 -12.242 1.00 0.00 N flip ATOM 0 H HIS A 92 -6.403 -2.988 -6.960 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.636 -0.811 -8.558 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.092 -3.174 -9.185 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.605 -3.117 -8.302 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.156 -2.622 -11.622 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.784 -0.572 -12.019 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.781 -1.542 -13.252 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.242 -1.000 -6.535 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.356 -0.237 -5.985 1.00 0.00 C ATOM 1429 C TYR A 93 -9.853 0.926 -5.136 1.00 0.00 C ATOM 1430 O TYR A 93 -10.516 1.958 -5.021 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.257 -1.143 -5.145 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.251 -1.937 -5.965 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -13.058 -1.313 -6.907 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -12.380 -3.310 -5.796 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -13.967 -2.034 -7.657 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -13.285 -4.039 -6.542 1.00 0.00 C ATOM 1437 CZ TYR A 93 -14.077 -3.397 -7.471 1.00 0.00 C ATOM 1438 OH TYR A 93 -14.980 -4.118 -8.217 1.00 0.00 O ATOM 0 H TYR A 93 -9.119 -1.924 -6.121 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.932 0.167 -6.817 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.635 -1.833 -4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.799 -0.533 -4.423 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.974 -0.247 -7.056 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.762 -3.816 -5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.588 -1.534 -8.385 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.372 -5.106 -6.399 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.931 -5.064 -7.965 1.00 0.00 H new ATOM 1448 N HIS A 94 -8.676 0.753 -4.543 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.082 1.789 -3.705 1.00 0.00 C ATOM 1450 C HIS A 94 -7.528 2.925 -4.558 1.00 0.00 C ATOM 1451 O HIS A 94 -7.239 4.009 -4.051 1.00 0.00 O ATOM 1452 CB HIS A 94 -6.970 1.196 -2.839 1.00 0.00 C ATOM 1453 CG HIS A 94 -7.457 0.641 -1.535 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -6.983 1.063 -0.312 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -8.385 -0.309 -1.270 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -7.596 0.396 0.650 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -8.452 -0.442 0.095 1.00 0.00 N ATOM 0 H HIS A 94 -8.115 -0.095 -4.627 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.861 2.191 -3.058 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.469 0.405 -3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.225 1.967 -2.641 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.964 -0.859 -1.997 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.426 0.516 1.710 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.064 -1.084 0.599 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.381 2.671 -5.854 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.861 3.673 -6.775 1.00 0.00 C ATOM 1468 C GLN A 95 -7.971 4.604 -7.251 1.00 0.00 C ATOM 1469 O GLN A 95 -7.708 5.630 -7.880 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.196 2.996 -7.975 1.00 0.00 C ATOM 1471 CG GLN A 95 -4.728 2.671 -7.754 1.00 0.00 C ATOM 1472 CD GLN A 95 -3.960 2.522 -9.053 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -4.394 3.000 -10.102 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -2.813 1.857 -8.990 1.00 0.00 N ATOM 0 H GLN A 95 -7.615 1.779 -6.290 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.117 4.267 -6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -6.733 2.076 -8.206 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.289 3.646 -8.845 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.272 3.459 -7.155 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.647 1.748 -7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.492 1.478 -8.099 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.253 1.725 -9.832 1.00 0.00 H new ATOM 1483 N HIS A 96 -9.213 4.239 -6.949 1.00 0.00 N ATOM 1484 CA HIS A 96 -10.364 5.042 -7.346 1.00 0.00 C ATOM 1485 C HIS A 96 -11.156 5.497 -6.124 1.00 0.00 C ATOM 1486 O HIS A 96 -11.567 6.654 -6.034 1.00 0.00 O ATOM 1487 CB HIS A 96 -11.268 4.246 -8.287 1.00 0.00 C ATOM 1488 CG HIS A 96 -10.898 4.383 -9.731 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -11.831 4.538 -10.736 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -9.688 4.391 -10.340 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -11.211 4.633 -11.898 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -9.911 4.547 -11.686 1.00 0.00 N ATOM 0 H HIS A 96 -9.448 3.392 -6.431 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.997 5.925 -7.869 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.230 3.193 -8.009 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -12.298 4.575 -8.152 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.727 4.293 -9.857 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -11.687 4.760 -12.859 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.189 4.590 -12.405 1.00 0.00 H new ATOM 1501 N ASN A 97 -11.368 4.580 -5.187 1.00 0.00 N ATOM 1502 CA ASN A 97 -12.114 4.886 -3.971 1.00 0.00 C ATOM 1503 C ASN A 97 -11.350 4.424 -2.734 1.00 0.00 C ATOM 1504 O ASN A 97 -11.092 3.233 -2.559 1.00 0.00 O ATOM 1505 CB ASN A 97 -13.491 4.223 -4.011 1.00 0.00 C ATOM 1506 CG ASN A 97 -14.208 4.458 -5.327 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -14.720 5.548 -5.581 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -14.246 3.432 -6.171 1.00 0.00 N ATOM 0 H ASN A 97 -11.034 3.618 -5.246 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.241 5.967 -3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -13.380 3.151 -3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.101 4.609 -3.194 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.714 3.530 -7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.807 2.547 -5.918 1.00 0.00 H new ATOM 1515 N SER A 98 -10.989 5.374 -1.877 1.00 0.00 N ATOM 1516 CA SER A 98 -10.253 5.066 -0.657 1.00 0.00 C ATOM 1517 C SER A 98 -11.141 4.333 0.344 1.00 0.00 C ATOM 1518 O SER A 98 -12.368 4.403 0.269 1.00 0.00 O ATOM 1519 CB SER A 98 -9.706 6.348 -0.028 1.00 0.00 C ATOM 1520 OG SER A 98 -9.503 6.187 1.365 1.00 0.00 O ATOM 0 H SER A 98 -11.195 6.365 -2.006 1.00 0.00 H new ATOM 0 HA SER A 98 -9.419 4.415 -0.921 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.765 6.619 -0.507 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.401 7.169 -0.205 1.00 0.00 H new ATOM 0 HG SER A 98 -8.542 6.140 1.552 1.00 0.00 H new ATOM 1526 N ALA A 99 -10.513 3.632 1.281 1.00 0.00 N ATOM 1527 CA ALA A 99 -11.245 2.888 2.299 1.00 0.00 C ATOM 1528 C ALA A 99 -10.812 3.303 3.700 1.00 0.00 C ATOM 1529 O ALA A 99 -10.188 2.526 4.423 1.00 0.00 O ATOM 1530 CB ALA A 99 -11.046 1.392 2.104 1.00 0.00 C ATOM 0 H ALA A 99 -9.498 3.563 1.357 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.305 3.120 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.598 0.849 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.412 1.102 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -9.985 1.153 2.182 1.00 0.00 H new ATOM 1536 N GLY A 100 -11.146 4.534 4.078 1.00 0.00 N ATOM 1537 CA GLY A 100 -10.781 5.030 5.392 1.00 0.00 C ATOM 1538 C GLY A 100 -9.688 6.078 5.333 1.00 0.00 C ATOM 1539 O GLY A 100 -9.564 6.801 4.345 1.00 0.00 O ATOM 0 H GLY A 100 -11.662 5.195 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.662 5.455 5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.449 4.197 6.012 1.00 0.00 H new ATOM 1543 N MET A 101 -8.892 6.160 6.394 1.00 0.00 N ATOM 1544 CA MET A 101 -7.803 7.128 6.459 1.00 0.00 C ATOM 1545 C MET A 101 -6.754 6.838 5.390 1.00 0.00 C ATOM 1546 O MET A 101 -5.964 7.711 5.030 1.00 0.00 O ATOM 1547 CB MET A 101 -7.155 7.106 7.845 1.00 0.00 C ATOM 1548 CG MET A 101 -7.962 7.838 8.904 1.00 0.00 C ATOM 1549 SD MET A 101 -7.870 9.630 8.733 1.00 0.00 S ATOM 1550 CE MET A 101 -9.591 10.033 8.445 1.00 0.00 C ATOM 0 H MET A 101 -8.980 5.568 7.220 1.00 0.00 H new ATOM 0 HA MET A 101 -8.219 8.119 6.276 1.00 0.00 H new ATOM 0 HB2 MET A 101 -7.017 6.071 8.156 1.00 0.00 H new ATOM 0 HB3 MET A 101 -6.164 7.554 7.781 1.00 0.00 H new ATOM 0 HG2 MET A 101 -9.004 7.524 8.842 1.00 0.00 H new ATOM 0 HG3 MET A 101 -7.601 7.552 9.892 1.00 0.00 H new ATOM 0 HE1 MET A 101 -9.696 11.111 8.319 1.00 0.00 H new ATOM 0 HE2 MET A 101 -9.937 9.527 7.544 1.00 0.00 H new ATOM 0 HE3 MET A 101 -10.188 9.707 9.296 1.00 0.00 H new ATOM 1560 N ILE A 102 -6.751 5.607 4.888 1.00 0.00 N ATOM 1561 CA ILE A 102 -5.800 5.204 3.859 1.00 0.00 C ATOM 1562 C ILE A 102 -5.867 6.135 2.654 1.00 0.00 C ATOM 1563 O ILE A 102 -6.761 6.021 1.815 1.00 0.00 O ATOM 1564 CB ILE A 102 -6.055 3.758 3.394 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -5.753 2.774 4.524 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.211 3.441 2.167 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -6.505 1.467 4.406 1.00 0.00 C ATOM 0 H ILE A 102 -7.396 4.872 5.177 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.807 5.263 4.305 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.106 3.658 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.683 2.568 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.001 3.241 5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.401 2.416 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.471 4.125 1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.155 3.555 2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.241 0.819 5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.577 1.661 4.422 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.239 0.978 3.469 1.00 0.00 H new ATOM 1579 N THR A 103 -4.912 7.056 2.571 1.00 0.00 N ATOM 1580 CA THR A 103 -4.861 8.007 1.467 1.00 0.00 C ATOM 1581 C THR A 103 -5.024 7.302 0.126 1.00 0.00 C ATOM 1582 O THR A 103 -4.467 6.225 -0.092 1.00 0.00 O ATOM 1583 CB THR A 103 -3.536 8.793 1.463 1.00 0.00 C ATOM 1584 OG1 THR A 103 -3.240 9.260 2.784 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.610 9.973 0.507 1.00 0.00 C ATOM 0 H THR A 103 -4.163 7.164 3.255 1.00 0.00 H new ATOM 0 HA THR A 103 -5.687 8.703 1.611 1.00 0.00 H new ATOM 0 HB THR A 103 -2.743 8.124 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.396 9.757 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.663 10.513 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.807 9.612 -0.502 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.413 10.642 0.816 1.00 0.00 H new ATOM 1593 N ARG A 104 -5.790 7.914 -0.771 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.026 7.343 -2.091 1.00 0.00 C ATOM 1595 C ARG A 104 -4.708 7.087 -2.817 1.00 0.00 C ATOM 1596 O ARG A 104 -3.790 7.906 -2.765 1.00 0.00 O ATOM 1597 CB ARG A 104 -6.905 8.278 -2.924 1.00 0.00 C ATOM 1598 CG ARG A 104 -8.287 8.503 -2.332 1.00 0.00 C ATOM 1599 CD ARG A 104 -8.846 9.862 -2.723 1.00 0.00 C ATOM 1600 NE ARG A 104 -8.036 10.959 -2.199 1.00 0.00 N ATOM 1601 CZ ARG A 104 -8.479 12.206 -2.076 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -9.717 12.511 -2.437 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -7.681 13.148 -1.590 1.00 0.00 N ATOM 0 H ARG A 104 -6.258 8.806 -0.607 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.540 6.391 -1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.402 9.240 -3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.012 7.865 -3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.962 7.719 -2.674 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.235 8.428 -1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.895 9.935 -3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.866 9.955 -2.351 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.078 10.757 -1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.332 11.788 -2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.055 13.469 -2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.728 12.915 -1.311 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.021 14.105 -1.495 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.623 5.947 -3.492 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.418 5.582 -4.228 1.00 0.00 C ATOM 1619 C LEU A 105 -3.364 6.297 -5.574 1.00 0.00 C ATOM 1620 O LEU A 105 -4.173 6.031 -6.463 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.365 4.068 -4.440 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.671 3.207 -3.214 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.457 1.734 -3.528 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -2.811 3.633 -2.034 1.00 0.00 C ATOM 0 H LEU A 105 -5.374 5.259 -3.545 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.555 5.891 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.071 3.807 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.371 3.807 -4.804 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.718 3.352 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.680 1.137 -2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.117 1.436 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.420 1.572 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.043 3.009 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.758 3.519 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.015 4.676 -1.793 1.00 0.00 H new ATOM 1636 N ARG A 106 -2.403 7.204 -5.718 1.00 0.00 N ATOM 1637 CA ARG A 106 -2.242 7.957 -6.956 1.00 0.00 C ATOM 1638 C ARG A 106 -1.421 7.167 -7.971 1.00 0.00 C ATOM 1639 O ARG A 106 -1.902 6.843 -9.057 1.00 0.00 O ATOM 1640 CB ARG A 106 -1.571 9.302 -6.676 1.00 0.00 C ATOM 1641 CG ARG A 106 -2.551 10.421 -6.369 1.00 0.00 C ATOM 1642 CD ARG A 106 -1.837 11.667 -5.868 1.00 0.00 C ATOM 1643 NE ARG A 106 -2.580 12.886 -6.177 1.00 0.00 N ATOM 1644 CZ ARG A 106 -2.413 14.033 -5.529 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -1.531 14.118 -4.542 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -3.126 15.099 -5.869 1.00 0.00 N ATOM 0 H ARG A 106 -1.724 7.435 -4.993 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.232 8.134 -7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.887 9.189 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.969 9.585 -7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.121 10.663 -7.266 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.266 10.084 -5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.693 11.594 -4.790 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.846 11.723 -6.319 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.265 12.854 -6.932 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.979 13.301 -4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.404 15.000 -4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.804 15.038 -6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.997 15.979 -5.370 1.00 0.00 H new ATOM 1660 N HIS A 107 -0.179 6.861 -7.609 1.00 0.00 N ATOM 1661 CA HIS A 107 0.710 6.108 -8.487 1.00 0.00 C ATOM 1662 C HIS A 107 1.495 5.064 -7.700 1.00 0.00 C ATOM 1663 O HIS A 107 1.839 5.259 -6.534 1.00 0.00 O ATOM 1664 CB HIS A 107 1.674 7.054 -9.204 1.00 0.00 C ATOM 1665 CG HIS A 107 1.078 7.720 -10.405 1.00 0.00 C ATOM 1666 ND1 HIS A 107 1.063 7.142 -11.657 1.00 0.00 N ATOM 1667 CD2 HIS A 107 0.471 8.923 -10.541 1.00 0.00 C ATOM 1668 CE1 HIS A 107 0.474 7.959 -12.511 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.105 9.047 -11.860 1.00 0.00 N ATOM 0 H HIS A 107 0.235 7.123 -6.714 1.00 0.00 H new ATOM 0 HA HIS A 107 0.098 5.594 -9.228 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.008 7.819 -8.503 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.558 6.495 -9.510 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.305 9.649 -9.759 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.320 7.770 -13.563 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.374 9.849 -12.269 1.00 0.00 H new ATOM 1678 N PRO A 108 1.786 3.927 -8.350 1.00 0.00 N ATOM 1679 CA PRO A 108 2.533 2.829 -7.730 1.00 0.00 C ATOM 1680 C PRO A 108 3.997 3.184 -7.496 1.00 0.00 C ATOM 1681 O PRO A 108 4.468 4.236 -7.927 1.00 0.00 O ATOM 1682 CB PRO A 108 2.415 1.697 -8.754 1.00 0.00 C ATOM 1683 CG PRO A 108 2.195 2.385 -10.056 1.00 0.00 C ATOM 1684 CD PRO A 108 1.408 3.627 -9.742 1.00 0.00 C ATOM 0 HA PRO A 108 2.141 2.574 -6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.318 1.088 -8.776 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.587 1.031 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.144 2.634 -10.531 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.651 1.743 -10.749 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.665 4.446 -10.414 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.336 3.459 -9.840 1.00 0.00 H new ATOM 1692 N VAL A 109 4.713 2.299 -6.810 1.00 0.00 N ATOM 1693 CA VAL A 109 6.125 2.518 -6.519 1.00 0.00 C ATOM 1694 C VAL A 109 6.837 1.203 -6.221 1.00 0.00 C ATOM 1695 O VAL A 109 6.349 0.385 -5.441 1.00 0.00 O ATOM 1696 CB VAL A 109 6.310 3.472 -5.323 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.765 3.493 -4.878 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.833 4.871 -5.679 1.00 0.00 C ATOM 0 H VAL A 109 4.338 1.423 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 109 6.564 2.971 -7.408 1.00 0.00 H new ATOM 0 HB VAL A 109 5.706 3.108 -4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.877 4.172 -4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.069 2.489 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.393 3.833 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.971 5.531 -4.823 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.409 5.248 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.777 4.838 -5.945 1.00 0.00 H new ATOM 1708 N SER A 110 7.992 1.006 -6.849 1.00 0.00 N ATOM 1709 CA SER A 110 8.769 -0.212 -6.654 1.00 0.00 C ATOM 1710 C SER A 110 10.264 0.078 -6.741 1.00 0.00 C ATOM 1711 O SER A 110 10.672 1.188 -7.082 1.00 0.00 O ATOM 1712 CB SER A 110 8.380 -1.262 -7.697 1.00 0.00 C ATOM 1713 OG SER A 110 9.109 -2.463 -7.508 1.00 0.00 O ATOM 0 H SER A 110 8.410 1.674 -7.497 1.00 0.00 H new ATOM 0 HA SER A 110 8.549 -0.599 -5.659 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.312 -1.467 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.568 -0.872 -8.698 1.00 0.00 H new ATOM 0 HG SER A 110 8.841 -3.118 -8.186 1.00 0.00 H new