USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 712 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 85 HIS :FLIP no HD1:sc= -1.44 X(o=-7.3,f=-7.2) USER MOD Set 1.2: A 91 HIS :FLIP no HE2:sc= -5.77! C(o=-9!,f=-7.2!) USER MOD Set 2.1: A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 88 THR OG1 : rot -36:sc= 0 USER MOD Single : A 6 THR OG1 : rot -41:sc= 0.326 USER MOD Single : A 8 HIS : no HD1:sc= -0.988 K(o=-0.99,f=-2) USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= 1.22 (180deg=0.117) USER MOD Single : A 19 GLN : amide:sc= 0.723 K(o=0.72,f=-0.024) USER MOD Single : A 20 GLN : amide:sc= -0.0767 K(o=-0.077,f=-0.8) USER MOD Single : A 22 CYS SG : rot 180:sc= 0.286 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0486 X(o=-0.049,f=-0.52) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 46 GLN : amide:sc= 0.471 X(o=0.47,f=0.033) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 170:sc= -0.0836 USER MOD Single : A 55 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.038) USER MOD Single : A 57 HIS : no HD1:sc= -0.0779 X(o=-0.078,f=0) USER MOD Single : A 58 CYS SG : rot 180:sc= -2.34 USER MOD Single : A 66 HIS : no HE2:sc= -0.457 K(o=-0.46,f=-3.5!) USER MOD Single : A 68 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-0.93) USER MOD Single : A 79 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.1!) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.85 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -150:sc= -0.0266 (180deg=-0.643) USER MOD Single : A 110 ASN : amide:sc= 0.666! C(o=0.67!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 6 -12.874 -4.352 3.545 1.00 0.00 N ATOM 60 CA THR A 6 -11.557 -3.747 3.684 1.00 0.00 C ATOM 61 C THR A 6 -10.493 -4.842 3.629 1.00 0.00 C ATOM 62 O THR A 6 -10.822 -6.024 3.785 1.00 0.00 O ATOM 63 CB THR A 6 -11.502 -3.001 5.029 1.00 0.00 C ATOM 64 OG1 THR A 6 -11.994 -3.841 6.062 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.329 -1.718 4.973 1.00 0.00 C ATOM 0 HA THR A 6 -11.369 -3.041 2.875 1.00 0.00 H new ATOM 0 HB THR A 6 -10.465 -2.735 5.234 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.782 -4.328 5.741 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.275 -1.208 5.935 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.936 -1.065 4.194 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.367 -1.964 4.751 1.00 0.00 H new ATOM 73 N PRO A 7 -9.219 -4.499 3.405 1.00 0.00 N ATOM 74 CA PRO A 7 -8.150 -5.467 3.468 1.00 0.00 C ATOM 75 C PRO A 7 -7.741 -5.672 4.934 1.00 0.00 C ATOM 76 O PRO A 7 -6.768 -5.065 5.384 1.00 0.00 O ATOM 77 CB PRO A 7 -7.046 -4.876 2.590 1.00 0.00 C ATOM 78 CG PRO A 7 -7.222 -3.367 2.754 1.00 0.00 C ATOM 79 CD PRO A 7 -8.699 -3.181 3.079 1.00 0.00 C ATOM 0 HA PRO A 7 -8.416 -6.460 3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.058 -5.202 2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.155 -5.181 1.549 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.589 -2.979 3.552 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.947 -2.835 1.843 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.829 -2.495 3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.232 -2.753 2.230 1.00 0.00 H new ATOM 87 N HIS A 8 -8.465 -6.532 5.663 1.00 0.00 N ATOM 88 CA HIS A 8 -8.272 -6.900 7.074 1.00 0.00 C ATOM 89 C HIS A 8 -8.747 -5.772 8.014 1.00 0.00 C ATOM 90 O HIS A 8 -8.639 -4.588 7.678 1.00 0.00 O ATOM 91 CB HIS A 8 -6.796 -7.251 7.350 1.00 0.00 C ATOM 92 CG HIS A 8 -6.497 -8.248 8.441 1.00 0.00 C ATOM 93 ND1 HIS A 8 -5.656 -8.005 9.499 1.00 0.00 N ATOM 94 CD2 HIS A 8 -6.762 -9.592 8.434 1.00 0.00 C ATOM 95 CE1 HIS A 8 -5.461 -9.155 10.161 1.00 0.00 C ATOM 96 NE2 HIS A 8 -6.132 -10.151 9.558 1.00 0.00 N ATOM 0 H HIS A 8 -9.258 -7.025 5.253 1.00 0.00 H new ATOM 0 HA HIS A 8 -8.879 -7.783 7.275 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.364 -7.630 6.424 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.272 -6.326 7.591 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.348 -10.124 7.699 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.854 -9.264 11.048 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.175 -11.125 9.858 1.00 0.00 H new ATOM 104 N PRO A 9 -9.236 -6.086 9.229 1.00 0.00 N ATOM 105 CA PRO A 9 -9.571 -5.063 10.217 1.00 0.00 C ATOM 106 C PRO A 9 -8.331 -4.421 10.852 1.00 0.00 C ATOM 107 O PRO A 9 -8.384 -3.247 11.216 1.00 0.00 O ATOM 108 CB PRO A 9 -10.415 -5.774 11.280 1.00 0.00 C ATOM 109 CG PRO A 9 -9.985 -7.234 11.171 1.00 0.00 C ATOM 110 CD PRO A 9 -9.626 -7.407 9.700 1.00 0.00 C ATOM 0 HA PRO A 9 -10.107 -4.242 9.742 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.224 -5.374 12.276 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.482 -5.656 11.089 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.134 -7.448 11.817 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.788 -7.909 11.468 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.812 -8.122 9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.474 -7.790 9.133 1.00 0.00 H new ATOM 118 N GLN A 10 -7.242 -5.175 11.046 1.00 0.00 N ATOM 119 CA GLN A 10 -6.080 -4.705 11.810 1.00 0.00 C ATOM 120 C GLN A 10 -5.206 -3.722 11.022 1.00 0.00 C ATOM 121 O GLN A 10 -4.344 -3.072 11.615 1.00 0.00 O ATOM 122 CB GLN A 10 -5.252 -5.900 12.306 1.00 0.00 C ATOM 123 CG GLN A 10 -6.007 -6.869 13.238 1.00 0.00 C ATOM 124 CD GLN A 10 -6.198 -6.362 14.671 1.00 0.00 C ATOM 125 OE1 GLN A 10 -6.991 -5.333 14.929 1.00 0.00 O flip ATOM 126 NE2 GLN A 10 -5.654 -6.929 15.609 1.00 0.00 N flip ATOM 0 H GLN A 10 -7.142 -6.122 10.680 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.463 -4.153 12.669 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.891 -6.457 11.442 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.375 -5.523 12.831 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.986 -7.077 12.807 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.466 -7.815 13.271 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.039 -7.724 15.437 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.816 -6.607 16.563 1.00 0.00 H new ATOM 135 N LEU A 11 -5.429 -3.593 9.714 1.00 0.00 N ATOM 136 CA LEU A 11 -4.866 -2.522 8.911 1.00 0.00 C ATOM 137 C LEU A 11 -5.357 -1.168 9.424 1.00 0.00 C ATOM 138 O LEU A 11 -6.537 -1.032 9.756 1.00 0.00 O ATOM 139 CB LEU A 11 -5.323 -2.752 7.468 1.00 0.00 C ATOM 140 CG LEU A 11 -4.867 -1.636 6.508 1.00 0.00 C ATOM 141 CD1 LEU A 11 -4.218 -2.275 5.290 1.00 0.00 C ATOM 142 CD2 LEU A 11 -6.029 -0.739 6.077 1.00 0.00 C ATOM 0 H LEU A 11 -6.012 -4.239 9.182 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.778 -2.520 8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.933 -3.708 7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.410 -2.823 7.444 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.152 -1.001 7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.890 -1.496 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.358 -2.867 5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.940 -2.921 4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.661 0.033 5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.782 -1.339 5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.473 -0.271 6.956 1.00 0.00 H new ATOM 154 N ILE A 12 -4.491 -0.155 9.410 1.00 0.00 N ATOM 155 CA ILE A 12 -4.828 1.225 9.737 1.00 0.00 C ATOM 156 C ILE A 12 -4.403 2.088 8.553 1.00 0.00 C ATOM 157 O ILE A 12 -3.224 2.150 8.212 1.00 0.00 O ATOM 158 CB ILE A 12 -4.136 1.639 11.051 1.00 0.00 C ATOM 159 CG1 ILE A 12 -4.611 0.846 12.285 1.00 0.00 C ATOM 160 CG2 ILE A 12 -4.253 3.150 11.319 1.00 0.00 C ATOM 161 CD1 ILE A 12 -6.068 1.062 12.717 1.00 0.00 C ATOM 0 H ILE A 12 -3.509 -0.278 9.164 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.898 1.351 9.902 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.086 1.388 10.897 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.468 -0.216 12.084 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.964 1.101 13.125 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.751 3.393 12.255 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.786 3.701 10.503 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.305 3.427 11.389 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.282 0.451 13.594 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.223 2.113 12.960 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.735 0.775 11.904 1.00 0.00 H new ATOM 173 N TRP A 13 -5.375 2.749 7.920 1.00 0.00 N ATOM 174 CA TRP A 13 -5.118 3.657 6.812 1.00 0.00 C ATOM 175 C TRP A 13 -4.225 4.820 7.258 1.00 0.00 C ATOM 176 O TRP A 13 -4.341 5.281 8.398 1.00 0.00 O ATOM 177 CB TRP A 13 -6.439 4.196 6.253 1.00 0.00 C ATOM 178 CG TRP A 13 -7.409 3.151 5.811 1.00 0.00 C ATOM 179 CD1 TRP A 13 -8.510 2.755 6.483 1.00 0.00 C ATOM 180 CD2 TRP A 13 -7.316 2.272 4.653 1.00 0.00 C ATOM 181 NE1 TRP A 13 -9.145 1.754 5.788 1.00 0.00 N ATOM 182 CE2 TRP A 13 -8.420 1.368 4.685 1.00 0.00 C ATOM 183 CE3 TRP A 13 -6.385 2.125 3.603 1.00 0.00 C ATOM 184 CZ2 TRP A 13 -8.595 0.366 3.723 1.00 0.00 C ATOM 185 CZ3 TRP A 13 -6.529 1.089 2.662 1.00 0.00 C ATOM 186 CH2 TRP A 13 -7.626 0.212 2.720 1.00 0.00 C ATOM 0 H TRP A 13 -6.362 2.666 8.165 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.599 3.103 6.030 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.914 4.813 7.016 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.220 4.848 5.407 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -8.842 3.164 7.426 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -10.041 1.348 6.056 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -5.556 2.812 3.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -9.462 -0.278 3.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -5.788 0.966 1.886 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -7.723 -0.580 1.993 1.00 0.00 H new ATOM 197 N PRO A 14 -3.433 5.399 6.345 1.00 0.00 N ATOM 198 CA PRO A 14 -3.325 4.992 4.950 1.00 0.00 C ATOM 199 C PRO A 14 -2.560 3.681 4.740 1.00 0.00 C ATOM 200 O PRO A 14 -1.899 3.187 5.652 1.00 0.00 O ATOM 201 CB PRO A 14 -2.578 6.117 4.267 1.00 0.00 C ATOM 202 CG PRO A 14 -1.731 6.731 5.378 1.00 0.00 C ATOM 203 CD PRO A 14 -2.657 6.603 6.580 1.00 0.00 C ATOM 0 HA PRO A 14 -4.322 4.811 4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.957 5.746 3.452 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.264 6.848 3.838 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.795 6.192 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -1.473 7.769 5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.089 6.529 7.507 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.304 7.475 6.672 1.00 0.00 H new ATOM 211 N ALA A 15 -2.645 3.143 3.521 1.00 0.00 N ATOM 212 CA ALA A 15 -1.951 1.933 3.108 1.00 0.00 C ATOM 213 C ALA A 15 -1.354 2.103 1.710 1.00 0.00 C ATOM 214 O ALA A 15 -1.592 3.114 1.048 1.00 0.00 O ATOM 215 CB ALA A 15 -2.916 0.747 3.167 1.00 0.00 C ATOM 0 H ALA A 15 -3.214 3.551 2.779 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.123 1.739 3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.397 -0.160 2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.282 0.626 4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.758 0.929 2.499 1.00 0.00 H new ATOM 221 N LEU A 16 -0.569 1.113 1.283 1.00 0.00 N ATOM 222 CA LEU A 16 0.245 1.119 0.074 1.00 0.00 C ATOM 223 C LEU A 16 0.190 -0.268 -0.559 1.00 0.00 C ATOM 224 O LEU A 16 0.783 -1.206 -0.016 1.00 0.00 O ATOM 225 CB LEU A 16 1.699 1.495 0.432 1.00 0.00 C ATOM 226 CG LEU A 16 1.939 3.015 0.498 1.00 0.00 C ATOM 227 CD1 LEU A 16 3.288 3.312 1.166 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.938 3.652 -0.899 1.00 0.00 C ATOM 0 H LEU A 16 -0.482 0.239 1.802 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.136 1.854 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.954 1.052 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.372 1.060 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 16 1.124 3.442 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.445 4.390 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.290 2.907 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.089 2.850 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.110 4.725 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.729 3.206 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.974 3.478 -1.378 1.00 0.00 H new ATOM 240 N LEU A 17 -0.544 -0.413 -1.664 1.00 0.00 N ATOM 241 CA LEU A 17 -0.625 -1.636 -2.474 1.00 0.00 C ATOM 242 C LEU A 17 0.486 -1.640 -3.523 1.00 0.00 C ATOM 243 O LEU A 17 0.870 -0.552 -3.956 1.00 0.00 O ATOM 244 CB LEU A 17 -2.012 -1.645 -3.141 1.00 0.00 C ATOM 245 CG LEU A 17 -2.384 -2.887 -3.971 1.00 0.00 C ATOM 246 CD1 LEU A 17 -2.622 -4.105 -3.079 1.00 0.00 C ATOM 247 CD2 LEU A 17 -3.674 -2.612 -4.753 1.00 0.00 C ATOM 0 H LEU A 17 -1.120 0.343 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.496 -2.527 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.763 -1.522 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.081 -0.772 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.553 -3.095 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.883 -4.964 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.716 -4.326 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.438 -3.895 -2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.938 -3.491 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.481 -2.386 -4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.522 -1.763 -5.419 1.00 0.00 H new ATOM 259 N LYS A 18 1.001 -2.804 -3.958 1.00 0.00 N ATOM 260 CA LYS A 18 1.944 -2.849 -5.068 1.00 0.00 C ATOM 261 C LYS A 18 1.718 -4.112 -5.911 1.00 0.00 C ATOM 262 O LYS A 18 2.417 -5.120 -5.740 1.00 0.00 O ATOM 263 CB LYS A 18 3.374 -2.659 -4.521 1.00 0.00 C ATOM 264 CG LYS A 18 4.231 -1.859 -5.509 1.00 0.00 C ATOM 265 CD LYS A 18 4.779 -2.690 -6.664 1.00 0.00 C ATOM 266 CE LYS A 18 6.052 -3.375 -6.206 1.00 0.00 C ATOM 267 NZ LYS A 18 6.580 -4.298 -7.223 1.00 0.00 N ATOM 0 H LYS A 18 0.777 -3.714 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 18 1.781 -2.027 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.336 -2.141 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.832 -3.632 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.634 -1.041 -5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.065 -1.409 -4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.044 -3.430 -6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.981 -2.054 -7.526 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.805 -2.622 -5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.857 -3.924 -5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.620 -4.272 -7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.255 -5.264 -7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.240 -4.011 -8.163 1.00 0.00 H new ATOM 281 N GLN A 19 0.746 -4.036 -6.832 1.00 0.00 N ATOM 282 CA GLN A 19 0.223 -5.150 -7.619 1.00 0.00 C ATOM 283 C GLN A 19 1.307 -6.004 -8.242 1.00 0.00 C ATOM 284 O GLN A 19 2.304 -5.483 -8.751 1.00 0.00 O ATOM 285 CB GLN A 19 -0.681 -4.673 -8.756 1.00 0.00 C ATOM 286 CG GLN A 19 -1.873 -3.870 -8.252 1.00 0.00 C ATOM 287 CD GLN A 19 -3.161 -4.205 -8.983 1.00 0.00 C ATOM 288 OE1 GLN A 19 -3.378 -3.771 -10.111 1.00 0.00 O ATOM 289 NE2 GLN A 19 -4.024 -5.010 -8.396 1.00 0.00 N ATOM 0 H GLN A 19 0.286 -3.153 -7.055 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.340 -5.745 -6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.100 -4.061 -9.446 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.039 -5.535 -9.318 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.006 -4.057 -7.186 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.663 -2.807 -8.365 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.834 -5.365 -7.459 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.882 -5.278 -8.879 1.00 0.00 H new ATOM 298 N GLN A 20 1.098 -7.319 -8.255 1.00 0.00 N ATOM 299 CA GLN A 20 2.055 -8.262 -8.805 1.00 0.00 C ATOM 300 C GLN A 20 2.250 -8.021 -10.296 1.00 0.00 C ATOM 301 O GLN A 20 1.314 -8.105 -11.091 1.00 0.00 O ATOM 302 CB GLN A 20 1.629 -9.702 -8.501 1.00 0.00 C ATOM 303 CG GLN A 20 2.635 -10.358 -7.549 1.00 0.00 C ATOM 304 CD GLN A 20 2.318 -11.826 -7.289 1.00 0.00 C ATOM 305 OE1 GLN A 20 1.271 -12.335 -7.674 1.00 0.00 O ATOM 306 NE2 GLN A 20 3.243 -12.556 -6.703 1.00 0.00 N ATOM 0 H GLN A 20 0.256 -7.757 -7.882 1.00 0.00 H new ATOM 0 HA GLN A 20 3.021 -8.104 -8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.635 -9.709 -8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.566 -10.274 -9.427 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.637 -10.275 -7.970 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.641 -9.817 -6.603 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.110 -12.122 -6.387 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.093 -13.555 -6.565 1.00 0.00 H new ATOM 315 N GLY A 21 3.472 -7.669 -10.680 1.00 0.00 N ATOM 316 CA GLY A 21 3.806 -7.210 -12.015 1.00 0.00 C ATOM 317 C GLY A 21 4.361 -5.801 -11.917 1.00 0.00 C ATOM 318 O GLY A 21 5.516 -5.567 -12.274 1.00 0.00 O ATOM 0 H GLY A 21 4.275 -7.697 -10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.539 -7.875 -12.471 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.922 -7.225 -12.653 1.00 0.00 H new ATOM 322 N CYS A 22 3.548 -4.863 -11.438 1.00 0.00 N ATOM 323 CA CYS A 22 3.839 -3.443 -11.548 1.00 0.00 C ATOM 324 C CYS A 22 4.908 -2.980 -10.551 1.00 0.00 C ATOM 325 O CYS A 22 5.458 -3.736 -9.742 1.00 0.00 O ATOM 326 CB CYS A 22 2.547 -2.620 -11.386 1.00 0.00 C ATOM 327 SG CYS A 22 2.570 -1.218 -12.535 1.00 0.00 S ATOM 0 H CYS A 22 2.669 -5.070 -10.963 1.00 0.00 H new ATOM 0 HA CYS A 22 4.249 -3.274 -12.544 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.677 -3.248 -11.580 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.459 -2.261 -10.361 1.00 0.00 H new ATOM 0 HG CYS A 22 1.478 -0.527 -12.398 1.00 0.00 H new ATOM 333 N ASN A 23 5.190 -1.681 -10.627 1.00 0.00 N ATOM 334 CA ASN A 23 6.106 -0.949 -9.760 1.00 0.00 C ATOM 335 C ASN A 23 5.370 0.235 -9.131 1.00 0.00 C ATOM 336 O ASN A 23 5.849 0.778 -8.140 1.00 0.00 O ATOM 337 CB ASN A 23 7.336 -0.484 -10.563 1.00 0.00 C ATOM 338 CG ASN A 23 7.912 -1.623 -11.387 1.00 0.00 C ATOM 339 OD1 ASN A 23 8.421 -2.593 -10.830 1.00 0.00 O ATOM 340 ND2 ASN A 23 7.732 -1.603 -12.693 1.00 0.00 N ATOM 0 H ASN A 23 4.762 -1.081 -11.332 1.00 0.00 H new ATOM 0 HA ASN A 23 6.459 -1.600 -8.961 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.055 0.339 -11.220 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.097 -0.103 -9.882 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.017 -2.402 -13.259 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.308 -0.789 -13.137 1.00 0.00 H new ATOM 347 N GLU A 24 4.214 0.624 -9.684 1.00 0.00 N ATOM 348 CA GLU A 24 3.459 1.795 -9.265 1.00 0.00 C ATOM 349 C GLU A 24 2.721 1.445 -7.982 1.00 0.00 C ATOM 350 O GLU A 24 1.823 0.600 -7.986 1.00 0.00 O ATOM 351 CB GLU A 24 2.466 2.202 -10.381 1.00 0.00 C ATOM 352 CG GLU A 24 2.434 3.718 -10.586 1.00 0.00 C ATOM 353 CD GLU A 24 1.222 4.199 -11.377 1.00 0.00 C ATOM 354 OE1 GLU A 24 0.118 4.326 -10.791 1.00 0.00 O ATOM 355 OE2 GLU A 24 1.412 4.522 -12.566 1.00 0.00 O ATOM 0 H GLU A 24 3.774 0.117 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 24 4.124 2.640 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.748 1.715 -11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.467 1.848 -10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.441 4.209 -9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.342 4.026 -11.105 1.00 0.00 H new ATOM 362 N LEU A 25 3.130 2.019 -6.853 1.00 0.00 N ATOM 363 CA LEU A 25 2.356 1.844 -5.639 1.00 0.00 C ATOM 364 C LEU A 25 1.014 2.515 -5.812 1.00 0.00 C ATOM 365 O LEU A 25 0.927 3.571 -6.437 1.00 0.00 O ATOM 366 CB LEU A 25 3.067 2.431 -4.423 1.00 0.00 C ATOM 367 CG LEU A 25 4.161 1.460 -3.957 1.00 0.00 C ATOM 368 CD1 LEU A 25 5.526 2.123 -3.975 1.00 0.00 C ATOM 369 CD2 LEU A 25 3.851 0.827 -2.599 1.00 0.00 C ATOM 0 H LEU A 25 3.968 2.592 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 25 2.231 0.775 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.505 3.397 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.352 2.605 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 25 4.181 0.639 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.281 1.411 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.759 2.449 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.520 2.986 -3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.659 0.150 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.757 1.609 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.916 0.270 -2.662 1.00 0.00 H new ATOM 381 N LEU A 26 0.024 1.928 -5.155 1.00 0.00 N ATOM 382 CA LEU A 26 -1.331 2.419 -5.030 1.00 0.00 C ATOM 383 C LEU A 26 -1.459 2.980 -3.615 1.00 0.00 C ATOM 384 O LEU A 26 -1.640 2.196 -2.680 1.00 0.00 O ATOM 385 CB LEU A 26 -2.380 1.346 -5.387 1.00 0.00 C ATOM 386 CG LEU A 26 -3.451 1.819 -6.380 1.00 0.00 C ATOM 387 CD1 LEU A 26 -4.284 2.943 -5.779 1.00 0.00 C ATOM 388 CD2 LEU A 26 -2.865 2.246 -7.731 1.00 0.00 C ATOM 0 H LEU A 26 0.159 1.043 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.536 3.210 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.869 0.480 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.870 1.014 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.096 0.962 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.037 3.263 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.776 2.587 -4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.636 3.784 -5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.670 2.570 -8.391 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.166 3.068 -7.581 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.342 1.403 -8.183 1.00 0.00 H new ATOM 400 N PRO A 27 -1.125 4.260 -3.377 1.00 0.00 N ATOM 401 CA PRO A 27 -1.415 4.908 -2.107 1.00 0.00 C ATOM 402 C PRO A 27 -2.936 4.928 -1.906 1.00 0.00 C ATOM 403 O PRO A 27 -3.674 5.312 -2.818 1.00 0.00 O ATOM 404 CB PRO A 27 -0.806 6.309 -2.238 1.00 0.00 C ATOM 405 CG PRO A 27 -0.893 6.619 -3.728 1.00 0.00 C ATOM 406 CD PRO A 27 -0.685 5.247 -4.358 1.00 0.00 C ATOM 0 HA PRO A 27 -0.999 4.401 -1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.358 7.040 -1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.226 6.329 -1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.858 7.049 -3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.128 7.330 -4.041 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.257 5.155 -5.281 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.363 5.095 -4.616 1.00 0.00 H new ATOM 414 N LEU A 28 -3.396 4.533 -0.717 1.00 0.00 N ATOM 415 CA LEU A 28 -4.794 4.592 -0.300 1.00 0.00 C ATOM 416 C LEU A 28 -4.875 5.519 0.918 1.00 0.00 C ATOM 417 O LEU A 28 -4.483 5.102 2.014 1.00 0.00 O ATOM 418 CB LEU A 28 -5.340 3.193 0.059 1.00 0.00 C ATOM 419 CG LEU A 28 -5.785 2.220 -1.056 1.00 0.00 C ATOM 420 CD1 LEU A 28 -6.529 2.876 -2.218 1.00 0.00 C ATOM 421 CD2 LEU A 28 -4.648 1.393 -1.641 1.00 0.00 C ATOM 0 H LEU A 28 -2.784 4.151 0.004 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.404 4.970 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.571 2.686 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.195 3.340 0.719 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.476 1.569 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.801 2.116 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.431 3.360 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.886 3.620 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.039 0.735 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.899 2.057 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.191 0.794 -0.853 1.00 0.00 H new ATOM 433 N ARG A 29 -5.343 6.768 0.766 1.00 0.00 N ATOM 434 CA ARG A 29 -5.239 7.786 1.829 1.00 0.00 C ATOM 435 C ARG A 29 -6.090 7.454 3.048 1.00 0.00 C ATOM 436 O ARG A 29 -5.716 7.750 4.184 1.00 0.00 O ATOM 437 CB ARG A 29 -5.645 9.193 1.343 1.00 0.00 C ATOM 438 CG ARG A 29 -5.009 9.620 0.016 1.00 0.00 C ATOM 439 CD ARG A 29 -5.171 11.124 -0.220 1.00 0.00 C ATOM 440 NE ARG A 29 -4.955 11.443 -1.638 1.00 0.00 N ATOM 441 CZ ARG A 29 -5.767 12.140 -2.438 1.00 0.00 C ATOM 442 NH1 ARG A 29 -6.770 12.847 -1.944 1.00 0.00 N ATOM 443 NH2 ARG A 29 -5.570 12.122 -3.746 1.00 0.00 N ATOM 0 H ARG A 29 -5.799 7.100 -0.084 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.185 7.781 2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.729 9.228 1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.376 9.919 2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.950 9.362 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.469 9.069 -0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.169 11.441 0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.460 11.675 0.396 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.092 11.095 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.933 12.866 -0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.380 13.373 -2.570 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.802 11.578 -4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.187 12.652 -4.362 1.00 0.00 H new ATOM 457 N THR A 30 -7.284 6.921 2.809 1.00 0.00 N ATOM 458 CA THR A 30 -8.345 6.697 3.789 1.00 0.00 C ATOM 459 C THR A 30 -9.169 5.523 3.289 1.00 0.00 C ATOM 460 O THR A 30 -9.055 5.203 2.109 1.00 0.00 O ATOM 461 CB THR A 30 -9.243 7.943 3.894 1.00 0.00 C ATOM 462 OG1 THR A 30 -9.600 8.441 2.616 1.00 0.00 O ATOM 463 CG2 THR A 30 -8.549 9.082 4.620 1.00 0.00 C ATOM 0 H THR A 30 -7.554 6.616 1.874 1.00 0.00 H new ATOM 0 HA THR A 30 -7.922 6.496 4.774 1.00 0.00 H new ATOM 0 HB THR A 30 -10.125 7.616 4.444 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.171 9.230 2.720 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.218 9.941 4.672 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.287 8.764 5.629 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.643 9.359 4.081 1.00 0.00 H new ATOM 471 N ASN A 31 -10.041 4.932 4.113 1.00 0.00 N ATOM 472 CA ASN A 31 -10.951 3.843 3.710 1.00 0.00 C ATOM 473 C ASN A 31 -11.691 4.146 2.401 1.00 0.00 C ATOM 474 O ASN A 31 -11.866 3.268 1.561 1.00 0.00 O ATOM 475 CB ASN A 31 -11.966 3.605 4.841 1.00 0.00 C ATOM 476 CG ASN A 31 -13.135 2.725 4.400 1.00 0.00 C ATOM 477 OD1 ASN A 31 -14.100 3.206 3.817 1.00 0.00 O ATOM 478 ND2 ASN A 31 -13.097 1.444 4.712 1.00 0.00 N ATOM 0 H ASN A 31 -10.139 5.197 5.093 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.351 2.951 3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.461 3.137 5.686 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.348 4.564 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.879 0.836 4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.286 1.061 5.197 1.00 0.00 H new ATOM 485 N ASP A 32 -12.080 5.410 2.218 1.00 0.00 N ATOM 486 CA ASP A 32 -12.846 5.901 1.077 1.00 0.00 C ATOM 487 C ASP A 32 -12.172 5.680 -0.272 1.00 0.00 C ATOM 488 O ASP A 32 -12.829 5.815 -1.304 1.00 0.00 O ATOM 489 CB ASP A 32 -13.074 7.415 1.249 1.00 0.00 C ATOM 490 CG ASP A 32 -14.446 7.779 1.789 1.00 0.00 C ATOM 491 OD1 ASP A 32 -15.467 7.284 1.266 1.00 0.00 O ATOM 492 OD2 ASP A 32 -14.499 8.641 2.691 1.00 0.00 O ATOM 0 H ASP A 32 -11.860 6.146 2.889 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.776 5.332 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.314 7.812 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.933 7.904 0.285 1.00 0.00 H new ATOM 497 N ASP A 33 -10.868 5.425 -0.284 1.00 0.00 N ATOM 498 CA ASP A 33 -10.022 5.282 -1.466 1.00 0.00 C ATOM 499 C ASP A 33 -10.048 3.832 -1.966 1.00 0.00 C ATOM 500 O ASP A 33 -10.341 3.590 -3.133 1.00 0.00 O ATOM 501 CB ASP A 33 -8.630 5.764 -1.028 1.00 0.00 C ATOM 502 CG ASP A 33 -7.667 6.150 -2.146 1.00 0.00 C ATOM 503 OD1 ASP A 33 -7.867 5.752 -3.315 1.00 0.00 O ATOM 504 OD2 ASP A 33 -6.694 6.841 -1.773 1.00 0.00 O ATOM 0 H ASP A 33 -10.341 5.305 0.581 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.364 5.872 -2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.757 6.626 -0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.166 4.977 -0.434 1.00 0.00 H new ATOM 509 N TRP A 34 -9.882 2.838 -1.083 1.00 0.00 N ATOM 510 CA TRP A 34 -9.963 1.410 -1.419 1.00 0.00 C ATOM 511 C TRP A 34 -11.328 1.085 -2.022 1.00 0.00 C ATOM 512 O TRP A 34 -11.417 0.270 -2.942 1.00 0.00 O ATOM 513 CB TRP A 34 -9.715 0.578 -0.154 1.00 0.00 C ATOM 514 CG TRP A 34 -9.986 -0.895 -0.174 1.00 0.00 C ATOM 515 CD1 TRP A 34 -11.077 -1.511 0.339 1.00 0.00 C ATOM 516 CD2 TRP A 34 -9.106 -1.959 -0.633 1.00 0.00 C ATOM 517 NE1 TRP A 34 -10.933 -2.882 0.218 1.00 0.00 N ATOM 518 CE2 TRP A 34 -9.713 -3.213 -0.336 1.00 0.00 C ATOM 519 CE3 TRP A 34 -7.845 -1.985 -1.256 1.00 0.00 C ATOM 520 CZ2 TRP A 34 -9.077 -4.430 -0.615 1.00 0.00 C ATOM 521 CZ3 TRP A 34 -7.195 -3.199 -1.545 1.00 0.00 C ATOM 522 CH2 TRP A 34 -7.808 -4.421 -1.220 1.00 0.00 C ATOM 0 H TRP A 34 -9.684 3.007 -0.097 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.201 1.166 -2.160 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.671 0.714 0.127 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -10.318 1.010 0.644 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -11.928 -1.010 0.775 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -11.639 -3.561 0.502 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.366 -1.053 -1.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -9.557 -5.365 -0.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -6.224 -3.192 -2.017 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -7.305 -5.352 -1.435 1.00 0.00 H new ATOM 533 N GLN A 35 -12.383 1.763 -1.546 1.00 0.00 N ATOM 534 CA GLN A 35 -13.727 1.662 -2.104 1.00 0.00 C ATOM 535 C GLN A 35 -13.686 1.882 -3.617 1.00 0.00 C ATOM 536 O GLN A 35 -14.257 1.094 -4.371 1.00 0.00 O ATOM 537 CB GLN A 35 -14.648 2.711 -1.452 1.00 0.00 C ATOM 538 CG GLN A 35 -14.773 2.589 0.080 1.00 0.00 C ATOM 539 CD GLN A 35 -15.896 1.666 0.542 1.00 0.00 C ATOM 540 OE1 GLN A 35 -16.005 0.512 0.133 1.00 0.00 O ATOM 541 NE2 GLN A 35 -16.736 2.122 1.452 1.00 0.00 N ATOM 0 H GLN A 35 -12.319 2.402 -0.754 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.118 0.665 -1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.274 3.706 -1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.641 2.628 -1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.828 2.224 0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.937 3.581 0.501 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.648 3.079 1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.473 1.517 1.814 1.00 0.00 H new ATOM 550 N ARG A 36 -13.001 2.944 -4.050 1.00 0.00 N ATOM 551 CA ARG A 36 -13.010 3.466 -5.414 1.00 0.00 C ATOM 552 C ARG A 36 -12.362 2.511 -6.398 1.00 0.00 C ATOM 553 O ARG A 36 -12.611 2.615 -7.599 1.00 0.00 O ATOM 554 CB ARG A 36 -12.265 4.806 -5.450 1.00 0.00 C ATOM 555 CG ARG A 36 -12.877 5.809 -4.466 1.00 0.00 C ATOM 556 CD ARG A 36 -13.297 7.089 -5.165 1.00 0.00 C ATOM 557 NE ARG A 36 -13.973 7.984 -4.219 1.00 0.00 N ATOM 558 CZ ARG A 36 -15.094 8.670 -4.433 1.00 0.00 C ATOM 559 NH1 ARG A 36 -15.550 8.858 -5.665 1.00 0.00 N ATOM 560 NH2 ARG A 36 -15.757 9.149 -3.390 1.00 0.00 N ATOM 0 H ARG A 36 -12.399 3.485 -3.430 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.051 3.594 -5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.215 4.647 -5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.299 5.216 -6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.742 5.360 -3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.154 6.041 -3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.423 7.586 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.963 6.857 -5.996 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.539 8.092 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.040 8.475 -6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.410 9.385 -5.816 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.406 8.989 -2.446 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.618 9.677 -3.532 1.00 0.00 H new ATOM 696 N LEU A 45 -5.712 -7.986 -8.749 1.00 0.00 N ATOM 697 CA LEU A 45 -5.670 -8.318 -7.327 1.00 0.00 C ATOM 698 C LEU A 45 -5.352 -9.787 -7.084 1.00 0.00 C ATOM 699 O LEU A 45 -6.243 -10.605 -6.875 1.00 0.00 O ATOM 700 CB LEU A 45 -6.980 -7.888 -6.645 1.00 0.00 C ATOM 701 CG LEU A 45 -7.294 -6.394 -6.852 1.00 0.00 C ATOM 702 CD1 LEU A 45 -8.745 -6.085 -6.466 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.356 -5.548 -5.987 1.00 0.00 C ATOM 0 HA LEU A 45 -4.851 -7.759 -6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.803 -8.486 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.915 -8.097 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.150 -6.155 -7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.945 -5.025 -6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.420 -6.675 -7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.904 -6.335 -5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.579 -4.491 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.498 -5.806 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.322 -5.744 -6.272 1.00 0.00 H new ATOM 715 N GLN A 46 -4.062 -10.096 -7.081 1.00 0.00 N ATOM 716 CA GLN A 46 -3.540 -11.468 -7.079 1.00 0.00 C ATOM 717 C GLN A 46 -3.021 -11.858 -5.690 1.00 0.00 C ATOM 718 O GLN A 46 -2.781 -10.996 -4.838 1.00 0.00 O ATOM 719 CB GLN A 46 -2.413 -11.631 -8.121 1.00 0.00 C ATOM 720 CG GLN A 46 -2.761 -11.101 -9.529 1.00 0.00 C ATOM 721 CD GLN A 46 -2.207 -9.697 -9.753 1.00 0.00 C ATOM 722 OE1 GLN A 46 -1.082 -9.497 -10.194 1.00 0.00 O ATOM 723 NE2 GLN A 46 -2.975 -8.667 -9.464 1.00 0.00 N ATOM 0 H GLN A 46 -3.328 -9.388 -7.080 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.363 -12.131 -7.344 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.525 -11.112 -7.761 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.156 -12.688 -8.198 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.357 -11.777 -10.283 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.843 -11.091 -9.657 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.914 -8.818 -9.096 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.631 -7.718 -9.608 1.00 0.00 H new ATOM 732 N TYR A 47 -2.794 -13.154 -5.469 1.00 0.00 N ATOM 733 CA TYR A 47 -2.247 -13.721 -4.240 1.00 0.00 C ATOM 734 C TYR A 47 -0.763 -13.402 -4.144 1.00 0.00 C ATOM 735 O TYR A 47 0.105 -14.208 -4.490 1.00 0.00 O ATOM 736 CB TYR A 47 -2.518 -15.225 -4.183 1.00 0.00 C ATOM 737 CG TYR A 47 -3.971 -15.595 -4.425 1.00 0.00 C ATOM 738 CD1 TYR A 47 -5.001 -14.949 -3.715 1.00 0.00 C ATOM 739 CD2 TYR A 47 -4.298 -16.566 -5.384 1.00 0.00 C ATOM 740 CE1 TYR A 47 -6.349 -15.247 -3.978 1.00 0.00 C ATOM 741 CE2 TYR A 47 -5.638 -16.887 -5.633 1.00 0.00 C ATOM 742 CZ TYR A 47 -6.669 -16.231 -4.937 1.00 0.00 C ATOM 743 OH TYR A 47 -7.958 -16.543 -5.221 1.00 0.00 O ATOM 0 H TYR A 47 -2.995 -13.865 -6.172 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.740 -13.273 -3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.897 -15.725 -4.926 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.214 -15.603 -3.207 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.753 -14.217 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.514 -17.067 -5.932 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.134 -14.727 -3.450 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.881 -17.643 -6.364 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.982 -17.242 -5.907 1.00 0.00 H new ATOM 753 N GLY A 48 -0.479 -12.174 -3.729 1.00 0.00 N ATOM 754 CA GLY A 48 0.845 -11.603 -3.832 1.00 0.00 C ATOM 755 C GLY A 48 0.830 -10.086 -3.983 1.00 0.00 C ATOM 756 O GLY A 48 1.896 -9.479 -4.050 1.00 0.00 O ATOM 0 H GLY A 48 -1.168 -11.549 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.419 -11.868 -2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.359 -12.043 -4.687 1.00 0.00 H new ATOM 760 N ASP A 49 -0.342 -9.441 -4.022 1.00 0.00 N ATOM 761 CA ASP A 49 -0.461 -8.029 -4.415 1.00 0.00 C ATOM 762 C ASP A 49 0.184 -7.030 -3.429 1.00 0.00 C ATOM 763 O ASP A 49 0.270 -5.849 -3.751 1.00 0.00 O ATOM 764 CB ASP A 49 -1.951 -7.700 -4.632 1.00 0.00 C ATOM 765 CG ASP A 49 -2.244 -7.143 -6.022 1.00 0.00 C ATOM 766 OD1 ASP A 49 -1.843 -7.771 -7.028 1.00 0.00 O ATOM 767 OD2 ASP A 49 -2.953 -6.124 -6.123 1.00 0.00 O ATOM 0 H ASP A 49 -1.232 -9.879 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 49 0.105 -7.908 -5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.543 -8.602 -4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.270 -6.976 -3.882 1.00 0.00 H new ATOM 772 N LYS A 50 0.603 -7.517 -2.246 1.00 0.00 N ATOM 773 CA LYS A 50 1.254 -6.897 -1.077 1.00 0.00 C ATOM 774 C LYS A 50 0.655 -5.558 -0.643 1.00 0.00 C ATOM 775 O LYS A 50 0.645 -4.584 -1.400 1.00 0.00 O ATOM 776 CB LYS A 50 2.783 -6.736 -1.211 1.00 0.00 C ATOM 777 CG LYS A 50 3.443 -6.750 0.190 1.00 0.00 C ATOM 778 CD LYS A 50 4.835 -6.111 0.313 1.00 0.00 C ATOM 779 CE LYS A 50 5.919 -6.902 -0.426 1.00 0.00 C ATOM 780 NZ LYS A 50 7.288 -6.580 0.042 1.00 0.00 N ATOM 0 H LYS A 50 0.470 -8.512 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 50 1.047 -7.629 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.190 -7.542 -1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.015 -5.801 -1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.774 -6.241 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.516 -7.786 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.800 -5.096 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.103 -6.034 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.737 -7.969 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.848 -6.696 -1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.979 -7.144 -0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.477 -5.568 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.370 -6.801 1.055 1.00 0.00 H new ATOM 794 N LEU A 51 0.289 -5.455 0.626 1.00 0.00 N ATOM 795 CA LEU A 51 -0.106 -4.216 1.263 1.00 0.00 C ATOM 796 C LEU A 51 0.844 -3.951 2.418 1.00 0.00 C ATOM 797 O LEU A 51 1.314 -4.888 3.065 1.00 0.00 O ATOM 798 CB LEU A 51 -1.550 -4.356 1.776 1.00 0.00 C ATOM 799 CG LEU A 51 -2.417 -3.097 1.716 1.00 0.00 C ATOM 800 CD1 LEU A 51 -2.692 -2.604 0.296 1.00 0.00 C ATOM 801 CD2 LEU A 51 -3.769 -3.462 2.328 1.00 0.00 C ATOM 0 H LEU A 51 0.259 -6.257 1.256 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.063 -3.385 0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.043 -5.139 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.514 -4.697 2.811 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.883 -2.305 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.312 -1.709 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.748 -2.370 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.212 -3.381 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.425 -2.591 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.222 -4.271 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.626 -3.784 3.359 1.00 0.00 H new ATOM 813 N VAL A 52 1.052 -2.684 2.745 1.00 0.00 N ATOM 814 CA VAL A 52 1.597 -2.263 4.024 1.00 0.00 C ATOM 815 C VAL A 52 0.719 -1.093 4.479 1.00 0.00 C ATOM 816 O VAL A 52 0.201 -0.341 3.647 1.00 0.00 O ATOM 817 CB VAL A 52 3.094 -1.901 3.882 1.00 0.00 C ATOM 818 CG1 VAL A 52 3.736 -1.591 5.242 1.00 0.00 C ATOM 819 CG2 VAL A 52 3.935 -3.038 3.267 1.00 0.00 C ATOM 0 H VAL A 52 0.843 -1.908 2.117 1.00 0.00 H new ATOM 0 HA VAL A 52 1.575 -3.052 4.776 1.00 0.00 H new ATOM 0 HB VAL A 52 3.099 -1.030 3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.787 -1.341 5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.222 -0.748 5.703 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.655 -2.464 5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.976 -2.722 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.868 -3.923 3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.557 -3.273 2.272 1.00 0.00 H new ATOM 829 N ASP A 53 0.520 -0.975 5.788 1.00 0.00 N ATOM 830 CA ASP A 53 -0.242 0.056 6.488 1.00 0.00 C ATOM 831 C ASP A 53 0.651 0.807 7.487 1.00 0.00 C ATOM 832 O ASP A 53 1.870 0.615 7.468 1.00 0.00 O ATOM 833 CB ASP A 53 -1.417 -0.620 7.191 1.00 0.00 C ATOM 834 CG ASP A 53 -1.032 -1.240 8.532 1.00 0.00 C ATOM 835 OD1 ASP A 53 0.020 -1.916 8.605 1.00 0.00 O ATOM 836 OD2 ASP A 53 -1.811 -1.073 9.488 1.00 0.00 O ATOM 0 H ASP A 53 0.919 -1.651 6.439 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.616 0.796 5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.209 0.112 7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.825 -1.395 6.542 1.00 0.00 H new ATOM 841 N SER A 54 0.074 1.662 8.342 1.00 0.00 N ATOM 842 CA SER A 54 0.837 2.417 9.338 1.00 0.00 C ATOM 843 C SER A 54 1.520 1.531 10.386 1.00 0.00 C ATOM 844 O SER A 54 2.522 1.940 10.970 1.00 0.00 O ATOM 845 CB SER A 54 -0.082 3.420 10.039 1.00 0.00 C ATOM 846 OG SER A 54 -1.069 2.820 10.845 1.00 0.00 O ATOM 0 H SER A 54 -0.929 1.847 8.361 1.00 0.00 H new ATOM 0 HA SER A 54 1.631 2.931 8.796 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.524 4.084 10.656 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.569 4.040 9.286 1.00 0.00 H new ATOM 0 HG SER A 54 -1.513 3.507 11.385 1.00 0.00 H new ATOM 852 N ASN A 55 0.944 0.366 10.687 1.00 0.00 N ATOM 853 CA ASN A 55 1.458 -0.570 11.690 1.00 0.00 C ATOM 854 C ASN A 55 2.722 -1.285 11.221 1.00 0.00 C ATOM 855 O ASN A 55 3.417 -1.875 12.050 1.00 0.00 O ATOM 856 CB ASN A 55 0.415 -1.627 12.066 1.00 0.00 C ATOM 857 CG ASN A 55 -0.757 -1.036 12.822 1.00 0.00 C ATOM 858 OD1 ASN A 55 -0.632 -0.591 13.957 1.00 0.00 O ATOM 859 ND2 ASN A 55 -1.933 -1.027 12.230 1.00 0.00 N ATOM 0 H ASN A 55 0.091 0.040 10.232 1.00 0.00 H new ATOM 0 HA ASN A 55 1.696 0.038 12.563 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.052 -2.114 11.161 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.886 -2.398 12.676 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.746 -0.648 12.716 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.031 -1.399 11.285 1.00 0.00 H new ATOM 866 N PHE A 56 3.042 -1.237 9.921 1.00 0.00 N ATOM 867 CA PHE A 56 4.191 -1.917 9.334 1.00 0.00 C ATOM 868 C PHE A 56 4.225 -3.396 9.726 1.00 0.00 C ATOM 869 O PHE A 56 5.186 -3.886 10.308 1.00 0.00 O ATOM 870 CB PHE A 56 5.474 -1.171 9.711 1.00 0.00 C ATOM 871 CG PHE A 56 5.677 0.086 8.911 1.00 0.00 C ATOM 872 CD1 PHE A 56 6.045 -0.025 7.561 1.00 0.00 C ATOM 873 CD2 PHE A 56 5.580 1.352 9.516 1.00 0.00 C ATOM 874 CE1 PHE A 56 6.346 1.124 6.824 1.00 0.00 C ATOM 875 CE2 PHE A 56 5.924 2.500 8.787 1.00 0.00 C ATOM 876 CZ PHE A 56 6.324 2.382 7.446 1.00 0.00 C ATOM 0 H PHE A 56 2.495 -0.712 9.239 1.00 0.00 H new ATOM 0 HA PHE A 56 4.104 -1.901 8.248 1.00 0.00 H new ATOM 0 HB2 PHE A 56 5.444 -0.920 10.771 1.00 0.00 H new ATOM 0 HB3 PHE A 56 6.329 -1.831 9.564 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.096 -0.997 7.092 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.242 1.440 10.538 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.595 1.044 5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.881 3.472 9.256 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.616 3.262 6.892 1.00 0.00 H new ATOM 886 N HIS A 57 3.142 -4.110 9.405 1.00 0.00 N ATOM 887 CA HIS A 57 2.898 -5.482 9.845 1.00 0.00 C ATOM 888 C HIS A 57 2.737 -6.481 8.690 1.00 0.00 C ATOM 889 O HIS A 57 2.389 -7.633 8.939 1.00 0.00 O ATOM 890 CB HIS A 57 1.644 -5.434 10.732 1.00 0.00 C ATOM 891 CG HIS A 57 1.887 -5.172 12.200 1.00 0.00 C ATOM 892 ND1 HIS A 57 0.922 -5.243 13.178 1.00 0.00 N ATOM 893 CD2 HIS A 57 3.058 -4.802 12.810 1.00 0.00 C ATOM 894 CE1 HIS A 57 1.501 -4.950 14.351 1.00 0.00 C ATOM 895 NE2 HIS A 57 2.800 -4.661 14.176 1.00 0.00 N ATOM 0 H HIS A 57 2.395 -3.739 8.818 1.00 0.00 H new ATOM 0 HA HIS A 57 3.766 -5.850 10.393 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.980 -4.659 10.349 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.116 -6.383 10.634 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.009 -4.647 12.322 1.00 0.00 H new ATOM 0 HE1 HIS A 57 0.993 -4.947 15.304 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.468 -4.391 14.898 1.00 0.00 H new ATOM 903 N CYS A 58 3.105 -6.029 7.491 1.00 0.00 N ATOM 904 CA CYS A 58 3.177 -6.637 6.160 1.00 0.00 C ATOM 905 C CYS A 58 1.976 -7.494 5.820 1.00 0.00 C ATOM 906 O CYS A 58 1.705 -8.467 6.502 1.00 0.00 O ATOM 907 CB CYS A 58 4.447 -7.467 5.940 1.00 0.00 C ATOM 908 SG CYS A 58 5.901 -6.433 5.689 1.00 0.00 S ATOM 0 H CYS A 58 3.412 -5.059 7.424 1.00 0.00 H new ATOM 0 HA CYS A 58 3.194 -5.778 5.489 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.609 -8.116 6.801 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.310 -8.115 5.074 1.00 0.00 H new ATOM 0 HG CYS A 58 6.944 -7.188 5.511 1.00 0.00 H new ATOM 914 N PHE A 59 1.305 -7.222 4.705 1.00 0.00 N ATOM 915 CA PHE A 59 0.169 -8.036 4.313 1.00 0.00 C ATOM 916 C PHE A 59 0.374 -8.526 2.893 1.00 0.00 C ATOM 917 O PHE A 59 0.859 -7.796 2.036 1.00 0.00 O ATOM 918 CB PHE A 59 -1.121 -7.239 4.533 1.00 0.00 C ATOM 919 CG PHE A 59 -1.210 -6.615 5.922 1.00 0.00 C ATOM 920 CD1 PHE A 59 -1.107 -7.431 7.062 1.00 0.00 C ATOM 921 CD2 PHE A 59 -1.289 -5.220 6.090 1.00 0.00 C ATOM 922 CE1 PHE A 59 -0.994 -6.870 8.347 1.00 0.00 C ATOM 923 CE2 PHE A 59 -1.282 -4.665 7.383 1.00 0.00 C ATOM 924 CZ PHE A 59 -1.077 -5.478 8.513 1.00 0.00 C ATOM 0 H PHE A 59 1.526 -6.456 4.069 1.00 0.00 H new ATOM 0 HA PHE A 59 0.079 -8.930 4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.187 -6.451 3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.977 -7.896 4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.115 -8.505 6.950 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.355 -4.575 5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.844 -7.509 9.205 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.436 -3.603 7.509 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.985 -5.037 9.495 1.00 0.00 H new ATOM 934 N VAL A 60 -0.025 -9.761 2.639 1.00 0.00 N ATOM 935 CA VAL A 60 -0.141 -10.395 1.343 1.00 0.00 C ATOM 936 C VAL A 60 -1.532 -11.030 1.316 1.00 0.00 C ATOM 937 O VAL A 60 -2.070 -11.413 2.357 1.00 0.00 O ATOM 938 CB VAL A 60 1.032 -11.377 1.135 1.00 0.00 C ATOM 939 CG1 VAL A 60 0.785 -12.341 -0.027 1.00 0.00 C ATOM 940 CG2 VAL A 60 2.324 -10.598 0.844 1.00 0.00 C ATOM 0 H VAL A 60 -0.296 -10.392 3.393 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.062 -9.703 0.505 1.00 0.00 H new ATOM 0 HB VAL A 60 1.123 -11.956 2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.639 -13.011 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.113 -12.926 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.653 -11.774 -0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.146 -11.299 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.193 -10.000 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.551 -9.942 1.685 1.00 0.00 H new ATOM 950 N LEU A 61 -2.136 -11.041 0.130 1.00 0.00 N ATOM 951 CA LEU A 61 -3.432 -11.650 -0.121 1.00 0.00 C ATOM 952 C LEU A 61 -3.250 -13.166 -0.209 1.00 0.00 C ATOM 953 O LEU A 61 -2.296 -13.652 -0.825 1.00 0.00 O ATOM 954 CB LEU A 61 -3.974 -11.078 -1.446 1.00 0.00 C ATOM 955 CG LEU A 61 -5.399 -11.537 -1.796 1.00 0.00 C ATOM 956 CD1 LEU A 61 -6.447 -10.825 -0.937 1.00 0.00 C ATOM 957 CD2 LEU A 61 -5.688 -11.277 -3.278 1.00 0.00 C ATOM 0 H LEU A 61 -1.725 -10.615 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.140 -11.434 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.958 -9.989 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.303 -11.367 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.460 -12.606 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.442 -11.175 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.264 -11.043 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.382 -9.749 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.700 -11.606 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.595 -10.211 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.975 -11.829 -3.890 1.00 0.00 H new ATOM 969 N GLU A 62 -4.183 -13.901 0.378 1.00 0.00 N ATOM 970 CA GLU A 62 -4.209 -15.353 0.437 1.00 0.00 C ATOM 971 C GLU A 62 -5.302 -15.883 -0.478 1.00 0.00 C ATOM 972 O GLU A 62 -6.207 -15.142 -0.860 1.00 0.00 O ATOM 973 CB GLU A 62 -4.465 -15.796 1.862 1.00 0.00 C ATOM 974 CG GLU A 62 -3.189 -15.545 2.662 1.00 0.00 C ATOM 975 CD GLU A 62 -2.157 -16.663 2.531 1.00 0.00 C ATOM 976 OE1 GLU A 62 -2.490 -17.813 2.895 1.00 0.00 O ATOM 977 OE2 GLU A 62 -1.027 -16.382 2.069 1.00 0.00 O ATOM 0 H GLU A 62 -4.982 -13.478 0.850 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.248 -15.748 0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.300 -15.242 2.291 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.734 -16.852 1.892 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.741 -14.608 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.448 -15.422 3.714 1.00 0.00 H new ATOM 984 N GLU A 63 -5.289 -17.187 -0.741 1.00 0.00 N ATOM 985 CA GLU A 63 -6.305 -17.866 -1.549 1.00 0.00 C ATOM 986 C GLU A 63 -7.667 -17.939 -0.841 1.00 0.00 C ATOM 987 O GLU A 63 -8.659 -18.339 -1.441 1.00 0.00 O ATOM 988 CB GLU A 63 -5.797 -19.266 -1.925 1.00 0.00 C ATOM 989 CG GLU A 63 -4.732 -19.172 -3.022 1.00 0.00 C ATOM 990 CD GLU A 63 -3.931 -20.461 -3.157 1.00 0.00 C ATOM 991 OE1 GLU A 63 -4.411 -21.415 -3.810 1.00 0.00 O ATOM 992 OE2 GLU A 63 -2.780 -20.477 -2.656 1.00 0.00 O ATOM 0 H GLU A 63 -4.562 -17.814 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.468 -17.281 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.380 -19.757 -1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.629 -19.881 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.212 -18.943 -3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.055 -18.347 -2.800 1.00 0.00 H new ATOM 999 N ASP A 64 -7.736 -17.588 0.444 1.00 0.00 N ATOM 1000 CA ASP A 64 -8.973 -17.337 1.196 1.00 0.00 C ATOM 1001 C ASP A 64 -9.499 -15.909 0.939 1.00 0.00 C ATOM 1002 O ASP A 64 -10.423 -15.440 1.598 1.00 0.00 O ATOM 1003 CB ASP A 64 -8.678 -17.586 2.685 1.00 0.00 C ATOM 1004 CG ASP A 64 -9.899 -17.529 3.616 1.00 0.00 C ATOM 1005 OD1 ASP A 64 -11.048 -17.765 3.185 1.00 0.00 O ATOM 1006 OD2 ASP A 64 -9.692 -17.288 4.832 1.00 0.00 O ATOM 0 H ASP A 64 -6.900 -17.465 1.015 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.763 -18.012 0.866 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.210 -18.565 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.950 -16.848 3.022 1.00 0.00 H new ATOM 1011 N ALA A 65 -8.883 -15.166 0.010 1.00 0.00 N ATOM 1012 CA ALA A 65 -9.056 -13.740 -0.264 1.00 0.00 C ATOM 1013 C ALA A 65 -8.888 -12.836 0.965 1.00 0.00 C ATOM 1014 O ALA A 65 -9.195 -11.643 0.881 1.00 0.00 O ATOM 1015 CB ALA A 65 -10.377 -13.477 -1.004 1.00 0.00 C ATOM 0 H ALA A 65 -8.196 -15.584 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.234 -13.460 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.481 -12.409 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.377 -14.017 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.211 -13.818 -0.391 1.00 0.00 H new ATOM 1021 N HIS A 66 -8.447 -13.361 2.110 1.00 0.00 N ATOM 1022 CA HIS A 66 -8.060 -12.531 3.231 1.00 0.00 C ATOM 1023 C HIS A 66 -6.662 -11.978 2.992 1.00 0.00 C ATOM 1024 O HIS A 66 -5.908 -12.482 2.161 1.00 0.00 O ATOM 1025 CB HIS A 66 -8.225 -13.252 4.575 1.00 0.00 C ATOM 1026 CG HIS A 66 -7.268 -14.374 4.903 1.00 0.00 C ATOM 1027 ND1 HIS A 66 -7.610 -15.588 5.459 1.00 0.00 N ATOM 1028 CD2 HIS A 66 -5.900 -14.308 4.884 1.00 0.00 C ATOM 1029 CE1 HIS A 66 -6.477 -16.234 5.771 1.00 0.00 C ATOM 1030 NE2 HIS A 66 -5.412 -15.488 5.444 1.00 0.00 N ATOM 0 H HIS A 66 -8.352 -14.363 2.276 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.739 -11.681 3.300 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.147 -12.506 5.366 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.237 -13.655 4.615 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -8.558 -15.934 5.607 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.306 -13.490 4.504 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.429 -17.215 6.221 1.00 0.00 H new ATOM 1038 N TRP A 67 -6.296 -10.983 3.783 1.00 0.00 N ATOM 1039 CA TRP A 67 -4.952 -10.448 3.872 1.00 0.00 C ATOM 1040 C TRP A 67 -4.338 -11.009 5.145 1.00 0.00 C ATOM 1041 O TRP A 67 -4.932 -10.877 6.216 1.00 0.00 O ATOM 1042 CB TRP A 67 -5.029 -8.922 3.861 1.00 0.00 C ATOM 1043 CG TRP A 67 -5.300 -8.351 2.503 1.00 0.00 C ATOM 1044 CD1 TRP A 67 -6.512 -8.145 1.948 1.00 0.00 C ATOM 1045 CD2 TRP A 67 -4.340 -7.980 1.480 1.00 0.00 C ATOM 1046 NE1 TRP A 67 -6.366 -7.643 0.668 1.00 0.00 N ATOM 1047 CE2 TRP A 67 -5.035 -7.482 0.341 1.00 0.00 C ATOM 1048 CE3 TRP A 67 -2.939 -8.033 1.409 1.00 0.00 C ATOM 1049 CZ2 TRP A 67 -4.356 -6.995 -0.790 1.00 0.00 C ATOM 1050 CZ3 TRP A 67 -2.251 -7.589 0.272 1.00 0.00 C ATOM 1051 CH2 TRP A 67 -2.951 -7.043 -0.818 1.00 0.00 C ATOM 0 H TRP A 67 -6.953 -10.510 4.403 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.323 -10.734 3.029 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.814 -8.600 4.546 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.090 -8.515 4.238 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.457 -8.343 2.432 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.143 -7.420 0.045 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -2.381 -8.424 2.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.906 -6.589 -1.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -1.175 -7.667 0.233 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -2.412 -6.662 -1.673 1.00 0.00 H new ATOM 1062 N HIS A 68 -3.210 -11.706 5.034 1.00 0.00 N ATOM 1063 CA HIS A 68 -2.565 -12.354 6.169 1.00 0.00 C ATOM 1064 C HIS A 68 -1.418 -11.465 6.673 1.00 0.00 C ATOM 1065 O HIS A 68 -0.731 -10.868 5.842 1.00 0.00 O ATOM 1066 CB HIS A 68 -2.033 -13.707 5.669 1.00 0.00 C ATOM 1067 CG HIS A 68 -1.068 -14.428 6.575 1.00 0.00 C ATOM 1068 ND1 HIS A 68 -1.370 -15.035 7.773 1.00 0.00 N ATOM 1069 CD2 HIS A 68 0.240 -14.709 6.286 1.00 0.00 C ATOM 1070 CE1 HIS A 68 -0.267 -15.662 8.203 1.00 0.00 C ATOM 1071 NE2 HIS A 68 0.736 -15.508 7.322 1.00 0.00 N ATOM 0 H HIS A 68 -2.717 -11.837 4.151 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.258 -12.507 6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.885 -14.362 5.488 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.544 -13.547 4.708 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.789 -14.375 5.418 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.194 -16.214 9.128 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.676 -15.898 7.394 1.00 0.00 H new ATOM 1079 N PRO A 69 -1.164 -11.395 7.993 1.00 0.00 N ATOM 1080 CA PRO A 69 -0.019 -10.692 8.572 1.00 0.00 C ATOM 1081 C PRO A 69 1.273 -11.486 8.353 1.00 0.00 C ATOM 1082 O PRO A 69 1.377 -12.648 8.748 1.00 0.00 O ATOM 1083 CB PRO A 69 -0.358 -10.524 10.058 1.00 0.00 C ATOM 1084 CG PRO A 69 -1.268 -11.711 10.350 1.00 0.00 C ATOM 1085 CD PRO A 69 -2.041 -11.884 9.050 1.00 0.00 C ATOM 0 HA PRO A 69 0.156 -9.724 8.103 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.538 -10.542 10.679 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -0.860 -9.576 10.251 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.696 -12.605 10.601 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.933 -11.512 11.190 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.302 -12.930 8.888 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.975 -11.322 9.073 1.00 0.00 H new ATOM 1093 N ALA A 70 2.277 -10.848 7.753 1.00 0.00 N ATOM 1094 CA ALA A 70 3.482 -11.484 7.236 1.00 0.00 C ATOM 1095 C ALA A 70 4.718 -10.978 7.987 1.00 0.00 C ATOM 1096 O ALA A 70 5.773 -10.782 7.376 1.00 0.00 O ATOM 1097 CB ALA A 70 3.549 -11.291 5.712 1.00 0.00 C ATOM 0 H ALA A 70 2.271 -9.838 7.610 1.00 0.00 H new ATOM 0 HA ALA A 70 3.454 -12.559 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.450 -11.766 5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.672 -11.744 5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.572 -10.226 5.481 1.00 0.00 H new ATOM 1103 N ALA A 71 4.575 -10.797 9.310 1.00 0.00 N ATOM 1104 CA ALA A 71 5.563 -10.294 10.260 1.00 0.00 C ATOM 1105 C ALA A 71 5.894 -8.799 10.015 1.00 0.00 C ATOM 1106 O ALA A 71 5.498 -8.248 8.988 1.00 0.00 O ATOM 1107 CB ALA A 71 6.752 -11.271 10.280 1.00 0.00 C ATOM 0 H ALA A 71 3.693 -11.018 9.773 1.00 0.00 H new ATOM 0 HA ALA A 71 5.168 -10.275 11.276 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.504 -10.915 10.984 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.407 -12.258 10.587 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.189 -11.333 9.283 1.00 0.00 H new ATOM 1113 N PRO A 72 6.530 -8.078 10.961 1.00 0.00 N ATOM 1114 CA PRO A 72 6.718 -6.632 10.844 1.00 0.00 C ATOM 1115 C PRO A 72 7.708 -6.212 9.752 1.00 0.00 C ATOM 1116 O PRO A 72 8.382 -7.042 9.132 1.00 0.00 O ATOM 1117 CB PRO A 72 7.149 -6.134 12.228 1.00 0.00 C ATOM 1118 CG PRO A 72 7.738 -7.381 12.878 1.00 0.00 C ATOM 1119 CD PRO A 72 6.889 -8.508 12.300 1.00 0.00 C ATOM 0 HA PRO A 72 5.781 -6.175 10.527 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.883 -5.332 12.157 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.305 -5.744 12.797 1.00 0.00 H new ATOM 0 HG2 PRO A 72 8.793 -7.504 12.631 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.667 -7.340 13.965 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.446 -9.445 12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.001 -8.681 12.908 1.00 0.00 H new ATOM 1127 N LEU A 73 7.804 -4.896 9.548 1.00 0.00 N ATOM 1128 CA LEU A 73 8.594 -4.230 8.520 1.00 0.00 C ATOM 1129 C LEU A 73 9.460 -3.148 9.196 1.00 0.00 C ATOM 1130 O LEU A 73 8.990 -2.520 10.148 1.00 0.00 O ATOM 1131 CB LEU A 73 7.572 -3.713 7.487 1.00 0.00 C ATOM 1132 CG LEU A 73 8.157 -3.152 6.180 1.00 0.00 C ATOM 1133 CD1 LEU A 73 7.144 -3.133 5.036 1.00 0.00 C ATOM 1134 CD2 LEU A 73 8.684 -1.751 6.416 1.00 0.00 C ATOM 0 H LEU A 73 7.300 -4.230 10.134 1.00 0.00 H new ATOM 0 HA LEU A 73 9.304 -4.870 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.894 -4.529 7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.973 -2.933 7.957 1.00 0.00 H new ATOM 0 HG LEU A 73 8.966 -3.818 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.614 -2.727 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.801 -4.148 4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.294 -2.510 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.098 -1.357 5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.871 -1.108 6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.463 -1.779 7.178 1.00 0.00 H new ATOM 1146 N PRO A 74 10.707 -2.901 8.749 1.00 0.00 N ATOM 1147 CA PRO A 74 11.599 -1.917 9.367 1.00 0.00 C ATOM 1148 C PRO A 74 11.382 -0.493 8.834 1.00 0.00 C ATOM 1149 O PRO A 74 10.873 -0.329 7.734 1.00 0.00 O ATOM 1150 CB PRO A 74 13.004 -2.407 9.012 1.00 0.00 C ATOM 1151 CG PRO A 74 12.839 -3.141 7.688 1.00 0.00 C ATOM 1152 CD PRO A 74 11.440 -3.734 7.802 1.00 0.00 C ATOM 0 HA PRO A 74 11.419 -1.847 10.440 1.00 0.00 H new ATOM 0 HB2 PRO A 74 13.701 -1.574 8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.399 -3.068 9.784 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.923 -2.465 6.837 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.596 -3.914 7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.944 -3.745 6.831 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.484 -4.766 8.149 1.00 0.00 H new ATOM 1160 N PRO A 75 11.900 0.558 9.490 1.00 0.00 N ATOM 1161 CA PRO A 75 11.777 1.948 9.019 1.00 0.00 C ATOM 1162 C PRO A 75 12.393 2.216 7.643 1.00 0.00 C ATOM 1163 O PRO A 75 12.105 3.253 7.049 1.00 0.00 O ATOM 1164 CB PRO A 75 12.473 2.783 10.092 1.00 0.00 C ATOM 1165 CG PRO A 75 13.458 1.807 10.726 1.00 0.00 C ATOM 1166 CD PRO A 75 12.671 0.505 10.719 1.00 0.00 C ATOM 0 HA PRO A 75 10.725 2.196 8.881 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.984 3.644 9.661 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.763 3.167 10.824 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.380 1.728 10.151 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.737 2.109 11.736 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.334 -0.360 10.736 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.023 0.427 11.592 1.00 0.00 H new ATOM 1174 N GLU A 76 13.206 1.293 7.145 1.00 0.00 N ATOM 1175 CA GLU A 76 13.846 1.324 5.836 1.00 0.00 C ATOM 1176 C GLU A 76 13.131 0.423 4.808 1.00 0.00 C ATOM 1177 O GLU A 76 13.371 0.549 3.603 1.00 0.00 O ATOM 1178 CB GLU A 76 15.316 0.926 6.034 1.00 0.00 C ATOM 1179 CG GLU A 76 15.485 -0.460 6.689 1.00 0.00 C ATOM 1180 CD GLU A 76 15.962 -1.508 5.686 1.00 0.00 C ATOM 1181 OE1 GLU A 76 17.191 -1.666 5.528 1.00 0.00 O ATOM 1182 OE2 GLU A 76 15.127 -2.175 5.035 1.00 0.00 O ATOM 0 H GLU A 76 13.450 0.456 7.674 1.00 0.00 H new ATOM 0 HA GLU A 76 13.783 2.328 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.820 0.928 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.809 1.676 6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 76 16.200 -0.390 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.535 -0.776 7.121 1.00 0.00 H new ATOM 1189 N GLY A 77 12.240 -0.478 5.247 1.00 0.00 N ATOM 1190 CA GLY A 77 11.556 -1.419 4.362 1.00 0.00 C ATOM 1191 C GLY A 77 10.449 -0.762 3.535 1.00 0.00 C ATOM 1192 O GLY A 77 10.167 -1.228 2.425 1.00 0.00 O ATOM 0 H GLY A 77 11.976 -0.571 6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.284 -1.872 3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.128 -2.225 4.958 1.00 0.00 H new ATOM 1196 N LEU A 78 9.867 0.346 4.016 1.00 0.00 N ATOM 1197 CA LEU A 78 9.007 1.239 3.230 1.00 0.00 C ATOM 1198 C LEU A 78 9.715 1.610 1.937 1.00 0.00 C ATOM 1199 O LEU A 78 9.147 1.552 0.846 1.00 0.00 O ATOM 1200 CB LEU A 78 8.731 2.517 4.045 1.00 0.00 C ATOM 1201 CG LEU A 78 8.148 3.720 3.280 1.00 0.00 C ATOM 1202 CD1 LEU A 78 6.778 3.404 2.664 1.00 0.00 C ATOM 1203 CD2 LEU A 78 8.008 4.896 4.253 1.00 0.00 C ATOM 0 H LEU A 78 9.984 0.652 4.982 1.00 0.00 H new ATOM 0 HA LEU A 78 8.067 0.738 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.044 2.263 4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.666 2.831 4.510 1.00 0.00 H new ATOM 0 HG LEU A 78 8.826 3.966 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.406 4.281 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.876 2.573 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.078 3.133 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.596 5.757 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.341 4.616 5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.987 5.152 4.657 1.00 0.00 H new ATOM 1215 N ASN A 79 10.970 2.019 2.083 1.00 0.00 N ATOM 1216 CA ASN A 79 11.737 2.630 1.023 1.00 0.00 C ATOM 1217 C ASN A 79 12.048 1.618 -0.079 1.00 0.00 C ATOM 1218 O ASN A 79 12.251 2.043 -1.213 1.00 0.00 O ATOM 1219 CB ASN A 79 12.990 3.305 1.601 1.00 0.00 C ATOM 1220 CG ASN A 79 12.647 4.198 2.780 1.00 0.00 C ATOM 1221 OD1 ASN A 79 12.691 3.774 3.926 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.204 5.411 2.552 1.00 0.00 N ATOM 0 H ASN A 79 11.485 1.930 2.959 1.00 0.00 H new ATOM 0 HA ASN A 79 11.145 3.414 0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.703 2.543 1.916 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.477 3.896 0.825 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.898 5.997 3.329 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.166 5.769 1.598 1.00 0.00 H new ATOM 1229 N ASP A 80 12.016 0.303 0.179 1.00 0.00 N ATOM 1230 CA ASP A 80 12.140 -0.696 -0.891 1.00 0.00 C ATOM 1231 C ASP A 80 10.911 -0.708 -1.791 1.00 0.00 C ATOM 1232 O ASP A 80 11.042 -0.765 -3.014 1.00 0.00 O ATOM 1233 CB ASP A 80 12.345 -2.116 -0.356 1.00 0.00 C ATOM 1234 CG ASP A 80 12.543 -3.072 -1.537 1.00 0.00 C ATOM 1235 OD1 ASP A 80 13.628 -2.975 -2.150 1.00 0.00 O ATOM 1236 OD2 ASP A 80 11.621 -3.862 -1.864 1.00 0.00 O ATOM 0 H ASP A 80 11.906 -0.092 1.113 1.00 0.00 H new ATOM 0 HA ASP A 80 13.022 -0.399 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.212 -2.148 0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.483 -2.423 0.236 1.00 0.00 H new ATOM 1241 N LEU A 81 9.713 -0.647 -1.198 1.00 0.00 N ATOM 1242 CA LEU A 81 8.476 -0.561 -1.965 1.00 0.00 C ATOM 1243 C LEU A 81 8.535 0.712 -2.798 1.00 0.00 C ATOM 1244 O LEU A 81 8.390 0.665 -4.019 1.00 0.00 O ATOM 1245 CB LEU A 81 7.226 -0.550 -1.059 1.00 0.00 C ATOM 1246 CG LEU A 81 6.619 -1.905 -0.662 1.00 0.00 C ATOM 1247 CD1 LEU A 81 6.347 -2.820 -1.866 1.00 0.00 C ATOM 1248 CD2 LEU A 81 7.508 -2.597 0.365 1.00 0.00 C ATOM 0 H LEU A 81 9.579 -0.656 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 81 8.389 -1.442 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.480 -0.015 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.452 0.030 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 81 5.646 -1.701 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.919 -3.760 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.647 -2.331 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.282 -3.018 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.069 -3.556 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.498 -2.760 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.594 -1.970 1.253 1.00 0.00 H new ATOM 1260 N ILE A 82 8.750 1.852 -2.136 1.00 0.00 N ATOM 1261 CA ILE A 82 8.752 3.168 -2.771 1.00 0.00 C ATOM 1262 C ILE A 82 9.806 3.229 -3.883 1.00 0.00 C ATOM 1263 O ILE A 82 9.553 3.850 -4.914 1.00 0.00 O ATOM 1264 CB ILE A 82 8.901 4.260 -1.689 1.00 0.00 C ATOM 1265 CG1 ILE A 82 7.642 4.324 -0.787 1.00 0.00 C ATOM 1266 CG2 ILE A 82 9.222 5.640 -2.286 1.00 0.00 C ATOM 1267 CD1 ILE A 82 6.448 5.087 -1.378 1.00 0.00 C ATOM 0 H ILE A 82 8.929 1.885 -1.132 1.00 0.00 H new ATOM 0 HA ILE A 82 7.801 3.355 -3.269 1.00 0.00 H new ATOM 0 HB ILE A 82 9.754 3.978 -1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.325 3.306 -0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.917 4.790 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.316 6.371 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.159 5.587 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.419 5.941 -2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.620 5.073 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.738 6.119 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.137 4.612 -2.308 1.00 0.00 H new ATOM 1279 N ARG A 83 10.944 2.535 -3.750 1.00 0.00 N ATOM 1280 CA ARG A 83 11.956 2.459 -4.786 1.00 0.00 C ATOM 1281 C ARG A 83 11.375 2.041 -6.128 1.00 0.00 C ATOM 1282 O ARG A 83 11.853 2.535 -7.144 1.00 0.00 O ATOM 1283 CB ARG A 83 13.090 1.500 -4.363 1.00 0.00 C ATOM 1284 CG ARG A 83 14.407 2.267 -4.390 1.00 0.00 C ATOM 1285 CD ARG A 83 15.628 1.363 -4.204 1.00 0.00 C ATOM 1286 NE ARG A 83 16.850 2.094 -4.578 1.00 0.00 N ATOM 1287 CZ ARG A 83 17.846 1.623 -5.339 1.00 0.00 C ATOM 1288 NH1 ARG A 83 17.950 0.328 -5.619 1.00 0.00 N ATOM 1289 NH2 ARG A 83 18.736 2.471 -5.835 1.00 0.00 N ATOM 0 H ARG A 83 11.180 2.009 -2.909 1.00 0.00 H new ATOM 0 HA ARG A 83 12.366 3.461 -4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.901 1.107 -3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.135 0.646 -5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.494 2.796 -5.339 1.00 0.00 H new ATOM 0 HG3 ARG A 83 14.398 3.022 -3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.693 1.033 -3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.526 0.468 -4.818 1.00 0.00 H new ATOM 0 HE ARG A 83 16.947 3.046 -4.225 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.262 -0.330 -5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.717 -0.008 -6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 83 18.657 3.468 -5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.500 2.126 -6.416 1.00 0.00 H new ATOM 1303 N ALA A 84 10.375 1.160 -6.158 1.00 0.00 N ATOM 1304 CA ALA A 84 9.704 0.763 -7.385 1.00 0.00 C ATOM 1305 C ALA A 84 9.008 1.978 -7.998 1.00 0.00 C ATOM 1306 O ALA A 84 9.366 2.396 -9.098 1.00 0.00 O ATOM 1307 CB ALA A 84 8.759 -0.412 -7.083 1.00 0.00 C ATOM 0 H ALA A 84 10.009 0.702 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 84 10.414 0.408 -8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.252 -0.716 -7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.335 -1.251 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.020 -0.104 -6.344 1.00 0.00 H new ATOM 1313 N HIS A 85 8.055 2.569 -7.278 1.00 0.00 N ATOM 1314 CA HIS A 85 7.242 3.684 -7.761 1.00 0.00 C ATOM 1315 C HIS A 85 8.097 4.887 -8.176 1.00 0.00 C ATOM 1316 O HIS A 85 7.789 5.574 -9.148 1.00 0.00 O ATOM 1317 CB HIS A 85 6.200 4.038 -6.687 1.00 0.00 C ATOM 1318 CG HIS A 85 5.402 5.304 -6.885 1.00 0.00 C ATOM 1319 ND1 HIS A 85 5.900 6.566 -6.739 1.00 0.00 N flip ATOM 1320 CD2 HIS A 85 4.057 5.431 -7.196 1.00 0.00 C flip ATOM 1321 CE1 HIS A 85 4.870 7.467 -6.963 1.00 0.00 C flip ATOM 1322 NE2 HIS A 85 3.779 6.745 -7.263 1.00 0.00 N flip ATOM 0 H HIS A 85 7.823 2.282 -6.327 1.00 0.00 H new ATOM 0 HA HIS A 85 6.720 3.382 -8.669 1.00 0.00 H new ATOM 0 HB2 HIS A 85 5.499 3.207 -6.610 1.00 0.00 H new ATOM 0 HB3 HIS A 85 6.715 4.110 -5.729 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.360 4.622 -7.355 1.00 0.00 H new ATOM 0 HE1 HIS A 85 4.934 8.544 -6.907 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.869 7.137 -7.507 1.00 0.00 H new ATOM 1330 N CYS A 86 9.185 5.150 -7.458 1.00 0.00 N ATOM 1331 CA CYS A 86 10.112 6.208 -7.836 1.00 0.00 C ATOM 1332 C CYS A 86 10.885 5.832 -9.093 1.00 0.00 C ATOM 1333 O CYS A 86 10.899 6.628 -10.030 1.00 0.00 O ATOM 1334 CB CYS A 86 11.109 6.448 -6.687 1.00 0.00 C ATOM 1335 SG CYS A 86 10.269 7.109 -5.220 1.00 0.00 S ATOM 0 H CYS A 86 9.445 4.644 -6.611 1.00 0.00 H new ATOM 0 HA CYS A 86 9.538 7.113 -8.035 1.00 0.00 H new ATOM 0 HB2 CYS A 86 11.608 5.513 -6.433 1.00 0.00 H new ATOM 0 HB3 CYS A 86 11.882 7.144 -7.012 1.00 0.00 H new ATOM 0 HG CYS A 86 11.137 7.297 -4.271 1.00 0.00 H new ATOM 1341 N ALA A 87 11.557 4.676 -9.116 1.00 0.00 N ATOM 1342 CA ALA A 87 12.468 4.328 -10.202 1.00 0.00 C ATOM 1343 C ALA A 87 11.728 4.087 -11.515 1.00 0.00 C ATOM 1344 O ALA A 87 12.318 4.224 -12.586 1.00 0.00 O ATOM 1345 CB ALA A 87 13.261 3.070 -9.834 1.00 0.00 C ATOM 0 H ALA A 87 11.484 3.965 -8.389 1.00 0.00 H new ATOM 0 HA ALA A 87 13.142 5.173 -10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.939 2.816 -10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.837 3.255 -8.927 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.572 2.243 -9.664 1.00 0.00 H new ATOM 1351 N THR A 88 10.450 3.713 -11.450 1.00 0.00 N ATOM 1352 CA THR A 88 9.645 3.493 -12.634 1.00 0.00 C ATOM 1353 C THR A 88 9.205 4.834 -13.252 1.00 0.00 C ATOM 1354 O THR A 88 8.801 4.844 -14.419 1.00 0.00 O ATOM 1355 CB THR A 88 8.504 2.519 -12.276 1.00 0.00 C ATOM 1356 OG1 THR A 88 8.030 1.813 -13.399 1.00 0.00 O ATOM 1357 CG2 THR A 88 7.309 3.185 -11.604 1.00 0.00 C ATOM 0 H THR A 88 9.952 3.556 -10.574 1.00 0.00 H new ATOM 0 HA THR A 88 10.220 3.015 -13.427 1.00 0.00 H new ATOM 0 HB THR A 88 8.964 1.833 -11.565 1.00 0.00 H new ATOM 0 HG1 THR A 88 8.049 2.398 -14.185 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.550 2.434 -11.384 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.630 3.659 -10.676 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.891 3.939 -12.270 1.00 0.00 H new ATOM 1365 N LEU A 89 9.307 5.963 -12.531 1.00 0.00 N ATOM 1366 CA LEU A 89 8.812 7.266 -12.982 1.00 0.00 C ATOM 1367 C LEU A 89 9.964 8.234 -13.185 1.00 0.00 C ATOM 1368 O LEU A 89 10.153 8.733 -14.293 1.00 0.00 O ATOM 1369 CB LEU A 89 7.767 7.833 -12.000 1.00 0.00 C ATOM 1370 CG LEU A 89 6.505 6.955 -11.901 1.00 0.00 C ATOM 1371 CD1 LEU A 89 5.465 7.549 -10.952 1.00 0.00 C ATOM 1372 CD2 LEU A 89 5.820 6.701 -13.248 1.00 0.00 C ATOM 0 H LEU A 89 9.741 5.992 -11.609 1.00 0.00 H new ATOM 0 HA LEU A 89 8.316 7.129 -13.943 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.217 7.928 -11.012 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.483 8.836 -12.318 1.00 0.00 H new ATOM 0 HG LEU A 89 6.875 6.005 -11.515 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.593 6.897 -10.914 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.894 7.641 -9.954 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.166 8.534 -11.310 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.940 6.076 -13.097 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.518 7.652 -13.688 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.514 6.195 -13.919 1.00 0.00 H new ATOM 1384 N GLY A 90 10.747 8.483 -12.140 1.00 0.00 N ATOM 1385 CA GLY A 90 11.791 9.490 -12.150 1.00 0.00 C ATOM 1386 C GLY A 90 12.050 10.127 -10.785 1.00 0.00 C ATOM 1387 O GLY A 90 12.782 11.117 -10.718 1.00 0.00 O ATOM 0 H GLY A 90 10.670 7.983 -11.254 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.715 9.038 -12.510 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.521 10.272 -12.860 1.00 0.00 H new ATOM 1391 N HIS A 91 11.414 9.657 -9.708 1.00 0.00 N ATOM 1392 CA HIS A 91 11.297 10.434 -8.474 1.00 0.00 C ATOM 1393 C HIS A 91 12.612 10.414 -7.695 1.00 0.00 C ATOM 1394 O HIS A 91 13.288 9.379 -7.636 1.00 0.00 O ATOM 1395 CB HIS A 91 10.149 9.896 -7.612 1.00 0.00 C ATOM 1396 CG HIS A 91 8.818 9.791 -8.300 1.00 0.00 C ATOM 1397 ND1 HIS A 91 8.460 10.470 -9.422 1.00 0.00 N flip ATOM 1398 CD2 HIS A 91 7.701 9.131 -7.850 1.00 0.00 C flip ATOM 1399 CE1 HIS A 91 7.125 10.226 -9.689 1.00 0.00 C flip ATOM 1400 NE2 HIS A 91 6.700 9.429 -8.701 1.00 0.00 N flip ATOM 0 H HIS A 91 10.971 8.739 -9.668 1.00 0.00 H new ATOM 0 HA HIS A 91 11.076 11.468 -8.738 1.00 0.00 H new ATOM 0 HB2 HIS A 91 10.427 8.909 -7.243 1.00 0.00 H new ATOM 0 HB3 HIS A 91 10.038 10.542 -6.741 1.00 0.00 H new ATOM 0 HD1 HIS A 91 9.076 11.064 -9.977 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.637 8.494 -6.980 1.00 0.00 H new ATOM 0 HE1 HIS A 91 6.546 10.600 -10.521 1.00 0.00 H new ATOM 1494 N HIS A 98 14.542 10.022 2.533 1.00 0.00 N ATOM 1495 CA HIS A 98 13.448 9.564 1.680 1.00 0.00 C ATOM 1496 C HIS A 98 12.074 9.950 2.236 1.00 0.00 C ATOM 1497 O HIS A 98 11.430 10.844 1.687 1.00 0.00 O ATOM 1498 CB HIS A 98 13.542 8.065 1.362 1.00 0.00 C ATOM 1499 CG HIS A 98 14.137 7.739 0.017 1.00 0.00 C ATOM 1500 ND1 HIS A 98 15.290 7.028 -0.232 1.00 0.00 N ATOM 1501 CD2 HIS A 98 13.522 7.978 -1.182 1.00 0.00 C ATOM 1502 CE1 HIS A 98 15.368 6.859 -1.564 1.00 0.00 C ATOM 1503 NE2 HIS A 98 14.320 7.425 -2.188 1.00 0.00 N ATOM 0 HA HIS A 98 13.559 10.090 0.732 1.00 0.00 H new ATOM 0 HB2 HIS A 98 14.140 7.581 2.135 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.542 7.634 1.415 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.588 8.500 -1.325 1.00 0.00 H new ATOM 0 HE1 HIS A 98 16.168 6.337 -2.067 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.143 7.447 -3.192 1.00 0.00 H new ATOM 1511 N LEU A 99 11.583 9.254 3.255 1.00 0.00 N ATOM 1512 CA LEU A 99 10.251 9.395 3.818 1.00 0.00 C ATOM 1513 C LEU A 99 10.336 9.112 5.308 1.00 0.00 C ATOM 1514 O LEU A 99 10.935 8.111 5.707 1.00 0.00 O ATOM 1515 CB LEU A 99 9.311 8.377 3.160 1.00 0.00 C ATOM 1516 CG LEU A 99 9.083 8.632 1.661 1.00 0.00 C ATOM 1517 CD1 LEU A 99 8.389 7.414 1.072 1.00 0.00 C ATOM 1518 CD2 LEU A 99 8.275 9.914 1.420 1.00 0.00 C ATOM 0 H LEU A 99 12.134 8.541 3.733 1.00 0.00 H new ATOM 0 HA LEU A 99 9.869 10.401 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.723 7.376 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.350 8.397 3.674 1.00 0.00 H new ATOM 0 HG LEU A 99 10.042 8.783 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.217 7.573 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.018 6.534 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.434 7.261 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.135 10.060 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.303 9.828 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.813 10.766 1.835 1.00 0.00 H new ATOM 1530 N HIS A 100 9.708 9.978 6.103 1.00 0.00 N ATOM 1531 CA HIS A 100 9.668 9.851 7.552 1.00 0.00 C ATOM 1532 C HIS A 100 8.848 8.636 7.994 1.00 0.00 C ATOM 1533 O HIS A 100 9.215 7.945 8.941 1.00 0.00 O ATOM 1534 CB HIS A 100 9.079 11.136 8.143 1.00 0.00 C ATOM 1535 CG HIS A 100 8.976 11.159 9.651 1.00 0.00 C ATOM 1536 ND1 HIS A 100 7.798 11.077 10.354 1.00 0.00 N ATOM 1537 CD2 HIS A 100 9.995 11.301 10.559 1.00 0.00 C ATOM 1538 CE1 HIS A 100 8.083 11.181 11.660 1.00 0.00 C ATOM 1539 NE2 HIS A 100 9.408 11.341 11.835 1.00 0.00 N ATOM 0 H HIS A 100 9.209 10.795 5.751 1.00 0.00 H new ATOM 0 HA HIS A 100 10.684 9.700 7.918 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.692 11.979 7.823 1.00 0.00 H new ATOM 0 HB3 HIS A 100 8.084 11.288 7.724 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.049 11.369 10.335 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.355 11.142 12.457 1.00 0.00 H new ATOM 0 HE2 HIS A 100 9.893 11.467 12.723 1.00 0.00 H new ATOM 1547 N SER A 101 7.699 8.426 7.353 1.00 0.00 N ATOM 1548 CA SER A 101 6.709 7.413 7.708 1.00 0.00 C ATOM 1549 C SER A 101 5.654 7.326 6.593 1.00 0.00 C ATOM 1550 O SER A 101 5.749 8.045 5.594 1.00 0.00 O ATOM 1551 CB SER A 101 6.105 7.754 9.086 1.00 0.00 C ATOM 1552 OG SER A 101 6.058 6.621 9.940 1.00 0.00 O ATOM 0 H SER A 101 7.423 8.979 6.541 1.00 0.00 H new ATOM 0 HA SER A 101 7.168 6.428 7.794 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.697 8.539 9.557 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.098 8.150 8.953 1.00 0.00 H new ATOM 0 HG SER A 101 5.671 6.878 10.803 1.00 0.00 H new ATOM 1558 N VAL A 102 4.646 6.458 6.744 1.00 0.00 N ATOM 1559 CA VAL A 102 3.630 6.201 5.719 1.00 0.00 C ATOM 1560 C VAL A 102 2.875 7.487 5.366 1.00 0.00 C ATOM 1561 O VAL A 102 2.618 7.740 4.194 1.00 0.00 O ATOM 1562 CB VAL A 102 2.661 5.083 6.172 1.00 0.00 C ATOM 1563 CG1 VAL A 102 1.744 4.618 5.027 1.00 0.00 C ATOM 1564 CG2 VAL A 102 3.417 3.871 6.739 1.00 0.00 C ATOM 0 H VAL A 102 4.513 5.908 7.593 1.00 0.00 H new ATOM 0 HA VAL A 102 4.134 5.855 4.817 1.00 0.00 H new ATOM 0 HB VAL A 102 2.045 5.517 6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.080 3.833 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.150 5.460 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.351 4.231 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.702 3.108 7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.077 3.463 5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.009 4.182 7.600 1.00 0.00 H new ATOM 1574 N MET A 103 2.542 8.322 6.353 1.00 0.00 N ATOM 1575 CA MET A 103 1.852 9.595 6.146 1.00 0.00 C ATOM 1576 C MET A 103 2.623 10.445 5.131 1.00 0.00 C ATOM 1577 O MET A 103 2.046 10.978 4.185 1.00 0.00 O ATOM 1578 CB MET A 103 1.719 10.307 7.505 1.00 0.00 C ATOM 1579 CG MET A 103 0.871 11.587 7.484 1.00 0.00 C ATOM 1580 SD MET A 103 -0.850 11.392 8.034 1.00 0.00 S ATOM 1581 CE MET A 103 -1.591 10.521 6.632 1.00 0.00 C ATOM 0 H MET A 103 2.748 8.129 7.333 1.00 0.00 H new ATOM 0 HA MET A 103 0.854 9.430 5.740 1.00 0.00 H new ATOM 0 HB2 MET A 103 1.283 9.611 8.222 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.716 10.555 7.868 1.00 0.00 H new ATOM 0 HG2 MET A 103 1.354 12.333 8.115 1.00 0.00 H new ATOM 0 HG3 MET A 103 0.867 11.983 6.469 1.00 0.00 H new ATOM 0 HE1 MET A 103 -2.645 10.788 6.553 1.00 0.00 H new ATOM 0 HE2 MET A 103 -1.075 10.804 5.714 1.00 0.00 H new ATOM 0 HE3 MET A 103 -1.500 9.445 6.783 1.00 0.00 H new ATOM 1591 N ASP A 104 3.943 10.512 5.307 1.00 0.00 N ATOM 1592 CA ASP A 104 4.854 11.293 4.477 1.00 0.00 C ATOM 1593 C ASP A 104 4.844 10.779 3.040 1.00 0.00 C ATOM 1594 O ASP A 104 4.819 11.553 2.085 1.00 0.00 O ATOM 1595 CB ASP A 104 6.268 11.192 5.082 1.00 0.00 C ATOM 1596 CG ASP A 104 7.134 12.427 4.846 1.00 0.00 C ATOM 1597 OD1 ASP A 104 6.588 13.540 4.696 1.00 0.00 O ATOM 1598 OD2 ASP A 104 8.373 12.320 4.999 1.00 0.00 O ATOM 0 H ASP A 104 4.420 10.008 6.055 1.00 0.00 H new ATOM 0 HA ASP A 104 4.536 12.335 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.182 11.021 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 104 6.771 10.322 4.660 1.00 0.00 H new ATOM 1603 N ALA A 105 4.830 9.451 2.895 1.00 0.00 N ATOM 1604 CA ALA A 105 4.785 8.768 1.610 1.00 0.00 C ATOM 1605 C ALA A 105 3.525 9.136 0.836 1.00 0.00 C ATOM 1606 O ALA A 105 3.587 9.466 -0.345 1.00 0.00 O ATOM 1607 CB ALA A 105 4.836 7.248 1.844 1.00 0.00 C ATOM 0 H ALA A 105 4.850 8.811 3.689 1.00 0.00 H new ATOM 0 HA ALA A 105 5.644 9.080 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.803 6.731 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.759 6.991 2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.982 6.944 2.450 1.00 0.00 H new ATOM 1613 N ILE A 106 2.366 9.040 1.478 1.00 0.00 N ATOM 1614 CA ILE A 106 1.095 9.245 0.801 1.00 0.00 C ATOM 1615 C ILE A 106 1.000 10.711 0.362 1.00 0.00 C ATOM 1616 O ILE A 106 0.493 10.978 -0.731 1.00 0.00 O ATOM 1617 CB ILE A 106 -0.051 8.810 1.732 1.00 0.00 C ATOM 1618 CG1 ILE A 106 0.085 7.332 2.160 1.00 0.00 C ATOM 1619 CG2 ILE A 106 -1.439 9.034 1.116 1.00 0.00 C ATOM 1620 CD1 ILE A 106 -0.286 6.259 1.138 1.00 0.00 C ATOM 0 H ILE A 106 2.283 8.820 2.471 1.00 0.00 H new ATOM 0 HA ILE A 106 1.018 8.634 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 106 0.036 9.448 2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.119 7.164 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.534 7.181 3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.206 8.708 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.573 10.093 0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.525 8.459 0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.141 5.272 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.330 6.378 0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.348 6.361 0.257 1.00 0.00 H new ATOM 1632 N ASP A 107 1.502 11.658 1.165 1.00 0.00 N ATOM 1633 CA ASP A 107 1.544 13.061 0.755 1.00 0.00 C ATOM 1634 C ASP A 107 2.420 13.221 -0.484 1.00 0.00 C ATOM 1635 O ASP A 107 1.962 13.819 -1.458 1.00 0.00 O ATOM 1636 CB ASP A 107 1.995 13.995 1.884 1.00 0.00 C ATOM 1637 CG ASP A 107 1.373 15.395 1.747 1.00 0.00 C ATOM 1638 OD1 ASP A 107 0.150 15.510 1.503 1.00 0.00 O ATOM 1639 OD2 ASP A 107 2.079 16.414 1.945 1.00 0.00 O ATOM 0 H ASP A 107 1.881 11.477 2.094 1.00 0.00 H new ATOM 0 HA ASP A 107 0.525 13.359 0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.715 13.565 2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.082 14.077 1.876 1.00 0.00 H new ATOM 1644 N PHE A 108 3.623 12.627 -0.458 1.00 0.00 N ATOM 1645 CA PHE A 108 4.601 12.648 -1.547 1.00 0.00 C ATOM 1646 C PHE A 108 3.983 12.187 -2.867 1.00 0.00 C ATOM 1647 O PHE A 108 3.921 12.963 -3.815 1.00 0.00 O ATOM 1648 CB PHE A 108 5.831 11.783 -1.202 1.00 0.00 C ATOM 1649 CG PHE A 108 6.944 11.745 -2.247 1.00 0.00 C ATOM 1650 CD1 PHE A 108 7.296 12.890 -2.993 1.00 0.00 C ATOM 1651 CD2 PHE A 108 7.661 10.549 -2.455 1.00 0.00 C ATOM 1652 CE1 PHE A 108 8.383 12.854 -3.885 1.00 0.00 C ATOM 1653 CE2 PHE A 108 8.746 10.512 -3.351 1.00 0.00 C ATOM 1654 CZ PHE A 108 9.119 11.671 -4.052 1.00 0.00 C ATOM 0 H PHE A 108 3.949 12.101 0.353 1.00 0.00 H new ATOM 0 HA PHE A 108 4.925 13.681 -1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 108 6.253 12.146 -0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 108 5.493 10.762 -1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.727 13.801 -2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 108 7.375 9.654 -1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.652 13.739 -4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 108 9.292 9.592 -3.500 1.00 0.00 H new ATOM 0 HZ PHE A 108 9.970 11.652 -4.717 1.00 0.00 H new ATOM 1664 N LEU A 109 3.540 10.929 -2.945 1.00 0.00 N ATOM 1665 CA LEU A 109 2.937 10.337 -4.125 1.00 0.00 C ATOM 1666 C LEU A 109 1.805 11.215 -4.661 1.00 0.00 C ATOM 1667 O LEU A 109 1.757 11.518 -5.853 1.00 0.00 O ATOM 1668 CB LEU A 109 2.442 8.924 -3.764 1.00 0.00 C ATOM 1669 CG LEU A 109 3.561 7.869 -3.802 1.00 0.00 C ATOM 1670 CD1 LEU A 109 4.605 7.855 -2.689 1.00 0.00 C ATOM 1671 CD2 LEU A 109 2.963 6.460 -3.895 1.00 0.00 C ATOM 0 H LEU A 109 3.597 10.281 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 109 3.676 10.263 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.001 8.943 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.652 8.633 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 109 4.115 8.179 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.318 7.051 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.131 8.809 -2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.112 7.695 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.767 5.724 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.330 6.275 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.366 6.377 -4.803 1.00 0.00 H new ATOM 1683 N ASN A 110 0.912 11.678 -3.784 1.00 0.00 N ATOM 1684 CA ASN A 110 -0.214 12.496 -4.222 1.00 0.00 C ATOM 1685 C ASN A 110 0.212 13.912 -4.612 1.00 0.00 C ATOM 1686 O ASN A 110 -0.556 14.607 -5.274 1.00 0.00 O ATOM 1687 CB ASN A 110 -1.304 12.532 -3.145 1.00 0.00 C ATOM 1688 CG ASN A 110 -2.096 11.233 -3.127 1.00 0.00 C ATOM 1689 OD1 ASN A 110 -3.030 11.068 -3.897 1.00 0.00 O ATOM 1690 ND2 ASN A 110 -1.797 10.295 -2.251 1.00 0.00 N ATOM 0 H ASN A 110 0.947 11.502 -2.780 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.621 12.030 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.850 12.699 -2.168 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.976 13.369 -3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -2.345 9.435 -2.218 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.018 10.429 -1.606 1.00 0.00 H new ATOM 1697 N ALA A 111 1.389 14.382 -4.192 1.00 0.00 N ATOM 1698 CA ALA A 111 1.937 15.681 -4.565 1.00 0.00 C ATOM 1699 C ALA A 111 2.693 15.608 -5.894 1.00 0.00 C ATOM 1700 O ALA A 111 2.827 16.632 -6.563 1.00 0.00 O ATOM 1701 CB ALA A 111 2.867 16.182 -3.458 1.00 0.00 C ATOM 0 H ALA A 111 1.999 13.854 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 111 1.109 16.378 -4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 111 3.276 17.153 -3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.307 16.279 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.682 15.472 -3.318 1.00 0.00 H new ATOM 1707 N LEU A 112 3.166 14.426 -6.296 1.00 0.00 N ATOM 1708 CA LEU A 112 3.762 14.187 -7.599 1.00 0.00 C ATOM 1709 C LEU A 112 2.676 14.280 -8.669 1.00 0.00 C ATOM 1710 O LEU A 112 2.756 15.161 -9.527 1.00 0.00 O ATOM 1711 CB LEU A 112 4.477 12.821 -7.595 1.00 0.00 C ATOM 1712 CG LEU A 112 5.753 12.832 -6.726 1.00 0.00 C ATOM 1713 CD1 LEU A 112 6.166 11.432 -6.246 1.00 0.00 C ATOM 1714 CD2 LEU A 112 6.904 13.484 -7.494 1.00 0.00 C ATOM 0 H LEU A 112 3.142 13.594 -5.706 1.00 0.00 H new ATOM 0 HA LEU A 112 4.514 14.942 -7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.794 12.057 -7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.738 12.547 -8.617 1.00 0.00 H new ATOM 0 HG LEU A 112 5.522 13.415 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 112 7.069 11.507 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.363 11.001 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.359 10.794 -7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.800 13.487 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.097 12.921 -8.407 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.636 14.509 -7.750 1.00 0.00 H new