USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 731 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 79 THR OG1 : rot 180:sc= -0.841 USER MOD Set 1.2: A 82 GLN : amide:sc= -0.253 K(o=-1.1,f=-2.6) USER MOD Set 2.1: A 18 THR OG1 : rot 126:sc= 1.27 USER MOD Set 2.2: A 38 HIS : no HD1:sc= 1.07 K(o=2.3,f=-6.2!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0569 (180deg=-0.372) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0.564 (180deg=0.468) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 7 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.77) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.592 F(o=-1.3,f=-0.59) USER MOD Single : A 34 SER OG : rot 31:sc= 0.324 USER MOD Single : A 35 SER OG : rot 138:sc= 0.309 USER MOD Single : A 37 MET CE :methyl 141:sc= -3.51! (180deg=-5.58!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 74:sc= 1.13 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= 1.25 (180deg=0.515) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -103:sc= 1.43 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0691 F(o=-1.1,f=-0.069) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0.59 K(o=0.59,f=-0.6) USER MOD Single : A 83 ASN : amide:sc= 1.18 K(o=1.2,f=-9.1!) USER MOD Single : A 92 SER OG : rot 9:sc= 1.18 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 100 LYS NZ :NH3+ -170:sc= -0.0115 (180deg=-0.182) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.658 -2.719 -2.812 1.00 0.00 N ATOM 2 CA MET A 1 -13.935 -3.984 -2.543 1.00 0.00 C ATOM 3 C MET A 1 -12.840 -4.194 -3.575 1.00 0.00 C ATOM 4 O MET A 1 -13.073 -4.077 -4.779 1.00 0.00 O ATOM 5 CB MET A 1 -14.903 -5.171 -2.572 1.00 0.00 C ATOM 6 CG MET A 1 -14.227 -6.510 -2.317 1.00 0.00 C ATOM 7 SD MET A 1 -15.338 -7.910 -2.538 1.00 0.00 S ATOM 8 CE MET A 1 -16.566 -7.578 -1.273 1.00 0.00 C ATOM 0 H1 MET A 1 -15.347 -2.544 -2.052 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.979 -1.932 -2.851 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.157 -2.791 -3.722 1.00 0.00 H new ATOM 0 HA MET A 1 -13.486 -3.917 -1.552 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.679 -5.016 -1.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.399 -5.202 -3.542 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.378 -6.617 -2.992 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.831 -6.524 -1.302 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.164 -8.473 -1.102 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.067 -7.293 -0.347 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.215 -6.766 -1.600 1.00 0.00 H new ATOM 20 N LEU A 2 -11.646 -4.509 -3.103 1.00 0.00 N ATOM 21 CA LEU A 2 -10.522 -4.744 -3.990 1.00 0.00 C ATOM 22 C LEU A 2 -10.470 -6.215 -4.371 1.00 0.00 C ATOM 23 O LEU A 2 -9.984 -7.055 -3.614 1.00 0.00 O ATOM 24 CB LEU A 2 -9.211 -4.314 -3.324 1.00 0.00 C ATOM 25 CG LEU A 2 -7.962 -4.428 -4.204 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.109 -3.566 -5.449 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.721 -4.022 -3.422 1.00 0.00 C ATOM 0 H LEU A 2 -11.431 -4.608 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.653 -4.148 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.311 -3.279 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.062 -4.919 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.852 -5.467 -4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.213 -3.658 -6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.976 -3.897 -6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.243 -2.524 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.843 -4.109 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.824 -2.990 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.606 -4.676 -2.557 1.00 0.00 H new ATOM 39 N VAL A 3 -11.028 -6.521 -5.525 1.00 0.00 N ATOM 40 CA VAL A 3 -11.015 -7.877 -6.042 1.00 0.00 C ATOM 41 C VAL A 3 -9.681 -8.160 -6.720 1.00 0.00 C ATOM 42 O VAL A 3 -9.373 -7.594 -7.770 1.00 0.00 O ATOM 43 CB VAL A 3 -12.166 -8.108 -7.050 1.00 0.00 C ATOM 44 CG1 VAL A 3 -12.169 -9.546 -7.552 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.508 -7.757 -6.425 1.00 0.00 C ATOM 0 H VAL A 3 -11.499 -5.845 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.155 -8.557 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.003 -7.451 -7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.987 -9.683 -8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.222 -9.761 -8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.300 -10.225 -6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -14.303 -7.927 -7.151 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.676 -8.384 -5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.507 -6.709 -6.126 1.00 0.00 H new ATOM 55 N ILE A 4 -8.883 -9.017 -6.100 1.00 0.00 N ATOM 56 CA ILE A 4 -7.591 -9.387 -6.654 1.00 0.00 C ATOM 57 C ILE A 4 -7.733 -10.660 -7.469 1.00 0.00 C ATOM 58 O ILE A 4 -7.246 -10.754 -8.595 1.00 0.00 O ATOM 59 CB ILE A 4 -6.538 -9.598 -5.541 1.00 0.00 C ATOM 60 CG1 ILE A 4 -6.394 -8.325 -4.705 1.00 0.00 C ATOM 61 CG2 ILE A 4 -5.196 -9.995 -6.143 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.413 -8.456 -3.559 1.00 0.00 C ATOM 0 H ILE A 4 -9.108 -9.468 -5.214 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.250 -8.572 -7.292 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.874 -10.407 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.074 -7.509 -5.354 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.371 -8.051 -4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.468 -10.139 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.309 -10.923 -6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.850 -9.207 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.364 -7.514 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.742 -9.249 -2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.426 -8.699 -3.951 1.00 0.00 H new ATOM 74 N SER A 5 -8.433 -11.620 -6.896 1.00 0.00 N ATOM 75 CA SER A 5 -8.660 -12.897 -7.542 1.00 0.00 C ATOM 76 C SER A 5 -10.121 -13.298 -7.363 1.00 0.00 C ATOM 77 O SER A 5 -10.887 -12.591 -6.701 1.00 0.00 O ATOM 78 CB SER A 5 -7.720 -13.955 -6.945 1.00 0.00 C ATOM 79 OG SER A 5 -7.842 -15.201 -7.609 1.00 0.00 O ATOM 0 H SER A 5 -8.859 -11.537 -5.973 1.00 0.00 H new ATOM 0 HA SER A 5 -8.448 -12.818 -8.608 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.690 -13.606 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.943 -14.084 -5.886 1.00 0.00 H new ATOM 0 HG SER A 5 -7.228 -15.849 -7.204 1.00 0.00 H new ATOM 85 N ASN A 6 -10.505 -14.424 -7.944 1.00 0.00 N ATOM 86 CA ASN A 6 -11.879 -14.903 -7.872 1.00 0.00 C ATOM 87 C ASN A 6 -12.308 -15.114 -6.423 1.00 0.00 C ATOM 88 O ASN A 6 -13.345 -14.602 -5.991 1.00 0.00 O ATOM 89 CB ASN A 6 -12.024 -16.208 -8.661 1.00 0.00 C ATOM 90 CG ASN A 6 -13.431 -16.778 -8.605 1.00 0.00 C ATOM 91 OD1 ASN A 6 -13.759 -17.566 -7.715 1.00 0.00 O ATOM 92 ND2 ASN A 6 -14.262 -16.394 -9.559 1.00 0.00 N ATOM 0 H ASN A 6 -9.879 -15.029 -8.476 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.528 -14.146 -8.313 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -11.750 -16.030 -9.701 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -11.323 -16.944 -8.268 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -15.217 -16.752 -9.578 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -13.948 -15.740 -10.276 1.00 0.00 H new ATOM 99 N ASN A 7 -11.490 -15.837 -5.668 1.00 0.00 N ATOM 100 CA ASN A 7 -11.819 -16.180 -4.286 1.00 0.00 C ATOM 101 C ASN A 7 -11.038 -15.304 -3.306 1.00 0.00 C ATOM 102 O ASN A 7 -11.059 -15.519 -2.100 1.00 0.00 O ATOM 103 CB ASN A 7 -11.522 -17.664 -4.043 1.00 0.00 C ATOM 104 CG ASN A 7 -12.008 -18.162 -2.690 1.00 0.00 C ATOM 105 OD1 ASN A 7 -11.255 -18.196 -1.718 1.00 0.00 O ATOM 106 ND2 ASN A 7 -13.271 -18.550 -2.615 1.00 0.00 N ATOM 0 H ASN A 7 -10.592 -16.199 -5.988 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.880 -15.997 -4.119 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.991 -18.255 -4.830 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.447 -17.829 -4.118 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.648 -18.891 -1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.867 -18.508 -3.441 1.00 0.00 H new ATOM 113 N VAL A 8 -10.384 -14.281 -3.827 1.00 0.00 N ATOM 114 CA VAL A 8 -9.596 -13.392 -2.995 1.00 0.00 C ATOM 115 C VAL A 8 -10.080 -11.963 -3.166 1.00 0.00 C ATOM 116 O VAL A 8 -9.995 -11.386 -4.252 1.00 0.00 O ATOM 117 CB VAL A 8 -8.091 -13.462 -3.338 1.00 0.00 C ATOM 118 CG1 VAL A 8 -7.287 -12.533 -2.434 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.581 -14.889 -3.219 1.00 0.00 C ATOM 0 H VAL A 8 -10.383 -14.046 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.723 -13.714 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.962 -13.133 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.230 -12.598 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.631 -11.507 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.425 -12.829 -1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.519 -14.918 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.727 -15.244 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.130 -15.530 -3.908 1.00 0.00 H new ATOM 129 N HIS A 9 -10.579 -11.403 -2.078 1.00 0.00 N ATOM 130 CA HIS A 9 -11.110 -10.047 -2.075 1.00 0.00 C ATOM 131 C HIS A 9 -10.583 -9.291 -0.863 1.00 0.00 C ATOM 132 O HIS A 9 -10.406 -9.877 0.204 1.00 0.00 O ATOM 133 CB HIS A 9 -12.647 -10.055 -2.019 1.00 0.00 C ATOM 134 CG HIS A 9 -13.310 -10.986 -2.991 1.00 0.00 C ATOM 135 ND1 HIS A 9 -13.215 -11.077 -4.337 1.00 0.00 N flip ATOM 136 CD2 HIS A 9 -14.195 -11.971 -2.608 1.00 0.00 C flip ATOM 137 CE1 HIS A 9 -14.030 -12.107 -4.739 1.00 0.00 C flip ATOM 138 NE2 HIS A 9 -14.609 -12.628 -3.674 1.00 0.00 N flip ATOM 0 H HIS A 9 -10.628 -11.872 -1.173 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.790 -9.559 -2.996 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.958 -10.325 -1.010 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.008 -9.043 -2.204 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -14.502 -12.173 -1.592 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.173 -12.436 -5.758 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -15.266 -13.408 -3.675 1.00 0.00 H new ATOM 147 N LEU A 10 -10.323 -8.006 -1.027 1.00 0.00 N ATOM 148 CA LEU A 10 -9.937 -7.164 0.091 1.00 0.00 C ATOM 149 C LEU A 10 -11.065 -6.196 0.418 1.00 0.00 C ATOM 150 O LEU A 10 -11.469 -5.395 -0.435 1.00 0.00 O ATOM 151 CB LEU A 10 -8.650 -6.396 -0.219 1.00 0.00 C ATOM 152 CG LEU A 10 -7.387 -7.256 -0.305 1.00 0.00 C ATOM 153 CD1 LEU A 10 -6.176 -6.384 -0.594 1.00 0.00 C ATOM 154 CD2 LEU A 10 -7.185 -8.035 0.988 1.00 0.00 C ATOM 0 H LEU A 10 -10.372 -7.523 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.748 -7.800 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.778 -5.870 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.503 -5.638 0.550 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.506 -7.968 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.284 -7.008 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.319 -5.865 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.055 -5.653 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.283 -8.641 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.084 -7.339 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.044 -8.683 1.160 1.00 0.00 H new ATOM 166 N PRO A 11 -11.622 -6.301 1.633 1.00 0.00 N ATOM 167 CA PRO A 11 -12.695 -5.421 2.090 1.00 0.00 C ATOM 168 C PRO A 11 -12.290 -3.954 2.040 1.00 0.00 C ATOM 169 O PRO A 11 -11.130 -3.609 2.273 1.00 0.00 O ATOM 170 CB PRO A 11 -12.953 -5.852 3.543 1.00 0.00 C ATOM 171 CG PRO A 11 -11.799 -6.715 3.924 1.00 0.00 C ATOM 172 CD PRO A 11 -11.260 -7.298 2.649 1.00 0.00 C ATOM 0 HA PRO A 11 -13.577 -5.507 1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.027 -4.986 4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.893 -6.397 3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.034 -6.134 4.438 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.114 -7.503 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.181 -7.445 2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.704 -8.270 2.433 1.00 0.00 H new ATOM 180 N ASP A 12 -13.256 -3.102 1.739 1.00 0.00 N ATOM 181 CA ASP A 12 -13.039 -1.668 1.657 1.00 0.00 C ATOM 182 C ASP A 12 -12.503 -1.121 2.972 1.00 0.00 C ATOM 183 O ASP A 12 -11.636 -0.247 2.993 1.00 0.00 O ATOM 184 CB ASP A 12 -14.357 -0.976 1.320 1.00 0.00 C ATOM 185 CG ASP A 12 -14.830 -1.260 -0.091 1.00 0.00 C ATOM 186 OD1 ASP A 12 -14.435 -0.529 -1.017 1.00 0.00 O ATOM 187 OD2 ASP A 12 -15.606 -2.224 -0.286 1.00 0.00 O ATOM 0 H ASP A 12 -14.216 -3.387 1.544 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.303 -1.474 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.122 -1.300 2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.239 0.100 1.448 1.00 0.00 H new ATOM 192 N ALA A 13 -13.014 -1.663 4.066 1.00 0.00 N ATOM 193 CA ALA A 13 -12.643 -1.204 5.400 1.00 0.00 C ATOM 194 C ALA A 13 -11.260 -1.708 5.819 1.00 0.00 C ATOM 195 O ALA A 13 -10.743 -1.315 6.865 1.00 0.00 O ATOM 196 CB ALA A 13 -13.688 -1.649 6.414 1.00 0.00 C ATOM 0 H ALA A 13 -13.691 -2.426 4.058 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.600 -0.115 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.402 -1.302 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.657 -1.227 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.754 -2.737 6.415 1.00 0.00 H new ATOM 202 N GLU A 14 -10.658 -2.566 5.005 1.00 0.00 N ATOM 203 CA GLU A 14 -9.353 -3.127 5.333 1.00 0.00 C ATOM 204 C GLU A 14 -8.246 -2.306 4.671 1.00 0.00 C ATOM 205 O GLU A 14 -7.057 -2.567 4.838 1.00 0.00 O ATOM 206 CB GLU A 14 -9.295 -4.603 4.917 1.00 0.00 C ATOM 207 CG GLU A 14 -8.107 -5.369 5.480 1.00 0.00 C ATOM 208 CD GLU A 14 -8.341 -6.867 5.500 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.127 -7.530 4.461 1.00 0.00 O ATOM 210 OE2 GLU A 14 -8.753 -7.386 6.557 1.00 0.00 O ATOM 0 H GLU A 14 -11.049 -2.887 4.119 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.198 -3.081 6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.214 -5.095 5.238 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.266 -4.660 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.222 -5.150 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.902 -5.023 6.493 1.00 0.00 H new ATOM 217 N ILE A 15 -8.662 -1.291 3.938 1.00 0.00 N ATOM 218 CA ILE A 15 -7.733 -0.371 3.303 1.00 0.00 C ATOM 219 C ILE A 15 -7.687 0.938 4.089 1.00 0.00 C ATOM 220 O ILE A 15 -8.581 1.777 3.974 1.00 0.00 O ATOM 221 CB ILE A 15 -8.134 -0.081 1.841 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.279 -1.392 1.055 1.00 0.00 C ATOM 223 CG2 ILE A 15 -7.104 0.823 1.179 1.00 0.00 C ATOM 224 CD1 ILE A 15 -8.750 -1.202 -0.374 1.00 0.00 C ATOM 0 H ILE A 15 -9.645 -1.080 3.766 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.748 -0.838 3.298 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.096 0.431 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.318 -1.907 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.983 -2.041 1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.400 1.019 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.043 1.765 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.130 0.334 1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.828 -2.173 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.726 -0.716 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.035 -0.580 -0.913 1.00 0.00 H new ATOM 236 N GLU A 16 -6.650 1.094 4.901 1.00 0.00 N ATOM 237 CA GLU A 16 -6.531 2.254 5.771 1.00 0.00 C ATOM 238 C GLU A 16 -5.842 3.400 5.041 1.00 0.00 C ATOM 239 O GLU A 16 -4.617 3.401 4.880 1.00 0.00 O ATOM 240 CB GLU A 16 -5.744 1.896 7.030 1.00 0.00 C ATOM 241 CG GLU A 16 -5.630 3.039 8.029 1.00 0.00 C ATOM 242 CD GLU A 16 -6.922 3.300 8.775 1.00 0.00 C ATOM 243 OE1 GLU A 16 -7.212 2.559 9.739 1.00 0.00 O ATOM 244 OE2 GLU A 16 -7.641 4.251 8.410 1.00 0.00 O ATOM 0 H GLU A 16 -5.879 0.430 4.975 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.534 2.570 6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.223 1.046 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.743 1.576 6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.842 2.811 8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.330 3.946 7.504 1.00 0.00 H new ATOM 251 N LEU A 17 -6.631 4.358 4.591 1.00 0.00 N ATOM 252 CA LEU A 17 -6.106 5.533 3.927 1.00 0.00 C ATOM 253 C LEU A 17 -6.255 6.745 4.835 1.00 0.00 C ATOM 254 O LEU A 17 -7.368 7.197 5.106 1.00 0.00 O ATOM 255 CB LEU A 17 -6.849 5.759 2.609 1.00 0.00 C ATOM 256 CG LEU A 17 -6.737 4.617 1.596 1.00 0.00 C ATOM 257 CD1 LEU A 17 -7.623 4.881 0.390 1.00 0.00 C ATOM 258 CD2 LEU A 17 -5.294 4.424 1.164 1.00 0.00 C ATOM 0 H LEU A 17 -7.647 4.343 4.675 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.048 5.384 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.903 5.927 2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.470 6.671 2.148 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.077 3.700 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.529 4.058 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.661 4.965 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.316 5.810 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.236 3.608 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.926 5.341 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.683 4.185 2.034 1.00 0.00 H new ATOM 270 N THR A 18 -5.141 7.246 5.329 1.00 0.00 N ATOM 271 CA THR A 18 -5.154 8.407 6.201 1.00 0.00 C ATOM 272 C THR A 18 -4.527 9.602 5.487 1.00 0.00 C ATOM 273 O THR A 18 -3.755 9.429 4.549 1.00 0.00 O ATOM 274 CB THR A 18 -4.375 8.126 7.502 1.00 0.00 C ATOM 275 OG1 THR A 18 -4.465 6.729 7.837 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.923 8.955 8.655 1.00 0.00 C ATOM 0 H THR A 18 -4.212 6.868 5.142 1.00 0.00 H new ATOM 0 HA THR A 18 -6.191 8.630 6.453 1.00 0.00 H new ATOM 0 HB THR A 18 -3.333 8.400 7.337 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.564 6.364 7.961 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.356 8.738 9.561 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.833 10.015 8.416 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.972 8.707 8.815 1.00 0.00 H new ATOM 284 N ALA A 19 -4.864 10.802 5.925 1.00 0.00 N ATOM 285 CA ALA A 19 -4.302 12.015 5.356 1.00 0.00 C ATOM 286 C ALA A 19 -3.324 12.641 6.333 1.00 0.00 C ATOM 287 O ALA A 19 -3.683 12.941 7.473 1.00 0.00 O ATOM 288 CB ALA A 19 -5.408 12.999 5.006 1.00 0.00 C ATOM 0 H ALA A 19 -5.530 10.963 6.680 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.768 11.760 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.970 13.902 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.082 12.546 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.966 13.255 5.907 1.00 0.00 H new ATOM 294 N ILE A 20 -2.087 12.820 5.895 1.00 0.00 N ATOM 295 CA ILE A 20 -1.070 13.425 6.737 1.00 0.00 C ATOM 296 C ILE A 20 -1.212 14.939 6.705 1.00 0.00 C ATOM 297 O ILE A 20 -0.824 15.596 5.738 1.00 0.00 O ATOM 298 CB ILE A 20 0.356 13.032 6.299 1.00 0.00 C ATOM 299 CG1 ILE A 20 0.501 11.507 6.274 1.00 0.00 C ATOM 300 CG2 ILE A 20 1.391 13.649 7.236 1.00 0.00 C ATOM 301 CD1 ILE A 20 1.846 11.027 5.770 1.00 0.00 C ATOM 0 H ILE A 20 -1.765 12.555 4.964 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.220 13.054 7.751 1.00 0.00 H new ATOM 0 HB ILE A 20 0.529 13.416 5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.342 11.120 7.281 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.283 11.087 5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.392 13.362 6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.300 14.735 7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.221 13.291 8.252 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.871 9.937 5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.001 11.382 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.635 11.415 6.414 1.00 0.00 H new ATOM 313 N ARG A 21 -1.804 15.479 7.753 1.00 0.00 N ATOM 314 CA ARG A 21 -2.037 16.906 7.844 1.00 0.00 C ATOM 315 C ARG A 21 -0.819 17.607 8.421 1.00 0.00 C ATOM 316 O ARG A 21 -0.328 17.240 9.493 1.00 0.00 O ATOM 317 CB ARG A 21 -3.254 17.190 8.717 1.00 0.00 C ATOM 318 CG ARG A 21 -3.695 18.640 8.691 1.00 0.00 C ATOM 319 CD ARG A 21 -4.714 18.922 9.776 1.00 0.00 C ATOM 320 NE ARG A 21 -5.424 20.176 9.540 1.00 0.00 N ATOM 321 CZ ARG A 21 -5.238 21.292 10.245 1.00 0.00 C ATOM 322 NH1 ARG A 21 -4.292 21.344 11.179 1.00 0.00 N ATOM 323 NH2 ARG A 21 -5.991 22.356 10.000 1.00 0.00 N ATOM 0 H ARG A 21 -2.134 14.946 8.558 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.222 17.287 6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.081 16.561 8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.028 16.906 9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.829 19.289 8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.123 18.875 7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.431 18.102 9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.213 18.964 10.743 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.109 20.200 8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.706 20.528 11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.152 22.200 11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.708 22.318 9.275 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.853 23.213 10.536 1.00 0.00 H new ATOM 494 N SER A 34 -0.343 19.003 3.267 1.00 0.00 N ATOM 495 CA SER A 34 0.406 17.994 2.561 1.00 0.00 C ATOM 496 C SER A 34 -0.508 17.046 1.787 1.00 0.00 C ATOM 497 O SER A 34 -1.536 16.590 2.292 1.00 0.00 O ATOM 498 CB SER A 34 1.243 17.216 3.568 1.00 0.00 C ATOM 499 OG SER A 34 1.934 18.101 4.437 1.00 0.00 O ATOM 0 HA SER A 34 1.051 18.483 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.600 16.556 4.150 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.958 16.583 3.042 1.00 0.00 H new ATOM 0 HG SER A 34 1.407 18.918 4.559 1.00 0.00 H new ATOM 505 N SER A 35 -0.117 16.746 0.557 1.00 0.00 N ATOM 506 CA SER A 35 -0.853 15.814 -0.281 1.00 0.00 C ATOM 507 C SER A 35 -0.454 14.379 0.050 1.00 0.00 C ATOM 508 O SER A 35 -0.815 13.437 -0.656 1.00 0.00 O ATOM 509 CB SER A 35 -0.584 16.125 -1.757 1.00 0.00 C ATOM 510 OG SER A 35 0.801 16.338 -1.999 1.00 0.00 O ATOM 0 H SER A 35 0.714 17.139 0.115 1.00 0.00 H new ATOM 0 HA SER A 35 -1.920 15.923 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.940 15.301 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.147 17.011 -2.052 1.00 0.00 H new ATOM 0 HG SER A 35 1.060 15.891 -2.832 1.00 0.00 H new ATOM 516 N ALA A 36 0.276 14.231 1.148 1.00 0.00 N ATOM 517 CA ALA A 36 0.804 12.952 1.570 1.00 0.00 C ATOM 518 C ALA A 36 -0.283 12.094 2.200 1.00 0.00 C ATOM 519 O ALA A 36 -0.905 12.473 3.195 1.00 0.00 O ATOM 520 CB ALA A 36 1.959 13.154 2.541 1.00 0.00 C ATOM 0 H ALA A 36 0.516 15.003 1.770 1.00 0.00 H new ATOM 0 HA ALA A 36 1.176 12.428 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.348 12.184 2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.750 13.722 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.607 13.701 3.416 1.00 0.00 H new ATOM 526 N MET A 37 -0.507 10.947 1.597 1.00 0.00 N ATOM 527 CA MET A 37 -1.449 9.972 2.120 1.00 0.00 C ATOM 528 C MET A 37 -0.704 8.947 2.957 1.00 0.00 C ATOM 529 O MET A 37 0.404 8.537 2.615 1.00 0.00 O ATOM 530 CB MET A 37 -2.176 9.253 0.979 1.00 0.00 C ATOM 531 CG MET A 37 -2.900 10.169 -0.005 1.00 0.00 C ATOM 532 SD MET A 37 -4.562 10.636 0.521 1.00 0.00 S ATOM 533 CE MET A 37 -4.220 11.761 1.870 1.00 0.00 C ATOM 0 H MET A 37 -0.045 10.661 0.734 1.00 0.00 H new ATOM 0 HA MET A 37 -2.184 10.495 2.732 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.452 8.653 0.428 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.901 8.562 1.409 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.307 11.072 -0.149 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.962 9.671 -0.972 1.00 0.00 H new ATOM 0 HE1 MET A 37 -4.926 12.591 1.840 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.320 11.233 2.818 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.205 12.145 1.775 1.00 0.00 H new ATOM 543 N HIS A 38 -1.314 8.548 4.049 1.00 0.00 N ATOM 544 CA HIS A 38 -0.739 7.559 4.944 1.00 0.00 C ATOM 545 C HIS A 38 -1.461 6.239 4.779 1.00 0.00 C ATOM 546 O HIS A 38 -2.673 6.152 4.968 1.00 0.00 O ATOM 547 CB HIS A 38 -0.825 8.040 6.392 1.00 0.00 C ATOM 548 CG HIS A 38 -0.606 6.975 7.427 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.643 6.356 8.094 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.529 6.423 7.913 1.00 0.00 C ATOM 551 CE1 HIS A 38 -1.153 5.476 8.943 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.161 5.494 8.854 1.00 0.00 N ATOM 0 H HIS A 38 -2.225 8.898 4.346 1.00 0.00 H new ATOM 0 HA HIS A 38 0.312 7.419 4.692 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.088 8.829 6.542 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.806 8.486 6.553 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.538 6.668 7.616 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.732 4.845 9.602 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.800 4.913 9.396 1.00 0.00 H new ATOM 561 N LEU A 39 -0.709 5.225 4.431 1.00 0.00 N ATOM 562 CA LEU A 39 -1.256 3.905 4.220 1.00 0.00 C ATOM 563 C LEU A 39 -0.602 2.914 5.168 1.00 0.00 C ATOM 564 O LEU A 39 0.599 3.000 5.425 1.00 0.00 O ATOM 565 CB LEU A 39 -1.022 3.440 2.778 1.00 0.00 C ATOM 566 CG LEU A 39 -1.819 4.164 1.687 1.00 0.00 C ATOM 567 CD1 LEU A 39 -1.231 5.533 1.385 1.00 0.00 C ATOM 568 CD2 LEU A 39 -1.867 3.318 0.424 1.00 0.00 C ATOM 0 H LEU A 39 0.299 5.289 4.286 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.328 3.951 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.039 3.547 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.254 2.377 2.721 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.834 4.313 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.820 6.019 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.248 6.144 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.202 5.420 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.436 3.842 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.853 3.140 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.347 2.364 0.643 1.00 0.00 H new ATOM 580 N ARG A 40 -1.387 1.989 5.700 1.00 0.00 N ATOM 581 CA ARG A 40 -0.842 0.908 6.496 1.00 0.00 C ATOM 582 C ARG A 40 -1.470 -0.416 6.083 1.00 0.00 C ATOM 583 O ARG A 40 -2.588 -0.745 6.477 1.00 0.00 O ATOM 584 CB ARG A 40 -1.024 1.166 7.998 1.00 0.00 C ATOM 585 CG ARG A 40 -2.451 1.468 8.423 1.00 0.00 C ATOM 586 CD ARG A 40 -2.563 1.607 9.933 1.00 0.00 C ATOM 587 NE ARG A 40 -3.935 1.879 10.355 1.00 0.00 N ATOM 588 CZ ARG A 40 -4.364 1.811 11.615 1.00 0.00 C ATOM 589 NH1 ARG A 40 -3.533 1.475 12.592 1.00 0.00 N ATOM 590 NH2 ARG A 40 -5.632 2.077 11.898 1.00 0.00 N ATOM 0 H ARG A 40 -2.401 1.968 5.593 1.00 0.00 H new ATOM 0 HA ARG A 40 0.231 0.855 6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.673 0.293 8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.388 2.002 8.289 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.787 2.388 7.946 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.111 0.671 8.080 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.212 0.691 10.409 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.912 2.413 10.273 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.611 2.139 9.636 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.557 1.266 12.382 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.870 1.425 13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.278 2.333 11.152 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.961 2.025 12.862 1.00 0.00 H new ATOM 604 N PHE A 41 -0.753 -1.155 5.260 1.00 0.00 N ATOM 605 CA PHE A 41 -1.225 -2.439 4.782 1.00 0.00 C ATOM 606 C PHE A 41 -0.637 -3.542 5.642 1.00 0.00 C ATOM 607 O PHE A 41 0.543 -3.875 5.529 1.00 0.00 O ATOM 608 CB PHE A 41 -0.847 -2.639 3.310 1.00 0.00 C ATOM 609 CG PHE A 41 -1.413 -3.893 2.698 1.00 0.00 C ATOM 610 CD1 PHE A 41 -2.720 -3.926 2.237 1.00 0.00 C ATOM 611 CD2 PHE A 41 -0.640 -5.037 2.584 1.00 0.00 C ATOM 612 CE1 PHE A 41 -3.244 -5.074 1.674 1.00 0.00 C ATOM 613 CE2 PHE A 41 -1.159 -6.191 2.022 1.00 0.00 C ATOM 614 CZ PHE A 41 -2.463 -6.205 1.567 1.00 0.00 C ATOM 0 H PHE A 41 0.165 -0.886 4.906 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.312 -2.471 4.854 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.193 -1.779 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.239 -2.663 3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.337 -3.043 2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.380 -5.029 2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.264 -5.085 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.547 -7.077 1.940 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.871 -7.103 1.127 1.00 0.00 H new ATOM 624 N ASP A 42 -1.452 -4.078 6.531 1.00 0.00 N ATOM 625 CA ASP A 42 -1.005 -5.128 7.427 1.00 0.00 C ATOM 626 C ASP A 42 -1.090 -6.481 6.731 1.00 0.00 C ATOM 627 O ASP A 42 -2.178 -6.977 6.441 1.00 0.00 O ATOM 628 CB ASP A 42 -1.843 -5.132 8.707 1.00 0.00 C ATOM 629 CG ASP A 42 -1.263 -6.035 9.776 1.00 0.00 C ATOM 630 OD1 ASP A 42 -1.400 -7.261 9.660 1.00 0.00 O ATOM 631 OD2 ASP A 42 -0.677 -5.511 10.750 1.00 0.00 O ATOM 0 H ASP A 42 -2.427 -3.804 6.652 1.00 0.00 H new ATOM 0 HA ASP A 42 0.034 -4.938 7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.915 -4.116 9.094 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.857 -5.456 8.473 1.00 0.00 H new ATOM 636 N ILE A 43 0.064 -7.067 6.460 1.00 0.00 N ATOM 637 CA ILE A 43 0.142 -8.329 5.739 1.00 0.00 C ATOM 638 C ILE A 43 -0.398 -9.474 6.591 1.00 0.00 C ATOM 639 O ILE A 43 -0.902 -10.468 6.076 1.00 0.00 O ATOM 640 CB ILE A 43 1.603 -8.641 5.325 1.00 0.00 C ATOM 641 CG1 ILE A 43 2.165 -7.506 4.465 1.00 0.00 C ATOM 642 CG2 ILE A 43 1.689 -9.965 4.581 1.00 0.00 C ATOM 643 CD1 ILE A 43 3.626 -7.680 4.099 1.00 0.00 C ATOM 0 H ILE A 43 0.970 -6.685 6.731 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.469 -8.232 4.841 1.00 0.00 H new ATOM 0 HB ILE A 43 2.203 -8.725 6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.577 -7.431 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.044 -6.564 4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.725 -10.159 4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.330 -10.768 5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.074 -9.918 3.682 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.951 -6.837 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.226 -7.724 5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.752 -8.605 3.536 1.00 0.00 H new ATOM 655 N ASN A 44 -0.317 -9.310 7.902 1.00 0.00 N ATOM 656 CA ASN A 44 -0.705 -10.362 8.823 1.00 0.00 C ATOM 657 C ASN A 44 -2.222 -10.491 8.905 1.00 0.00 C ATOM 658 O ASN A 44 -2.763 -11.594 8.835 1.00 0.00 O ATOM 659 CB ASN A 44 -0.134 -10.075 10.211 1.00 0.00 C ATOM 660 CG ASN A 44 -0.028 -11.320 11.065 1.00 0.00 C ATOM 661 OD1 ASN A 44 -0.965 -11.690 11.775 1.00 0.00 O ATOM 662 ND2 ASN A 44 1.122 -11.974 11.008 1.00 0.00 N ATOM 0 H ASN A 44 0.015 -8.456 8.351 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.302 -11.304 8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.853 -9.624 10.108 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.766 -9.345 10.716 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.257 -12.818 11.565 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.873 -11.634 10.407 1.00 0.00 H new ATOM 669 N ALA A 45 -2.899 -9.360 9.038 1.00 0.00 N ATOM 670 CA ALA A 45 -4.345 -9.347 9.243 1.00 0.00 C ATOM 671 C ALA A 45 -5.133 -9.225 7.937 1.00 0.00 C ATOM 672 O ALA A 45 -6.353 -9.384 7.937 1.00 0.00 O ATOM 673 CB ALA A 45 -4.723 -8.217 10.186 1.00 0.00 C ATOM 0 H ALA A 45 -2.471 -8.435 9.008 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.612 -10.308 9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.803 -8.213 10.335 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.225 -8.361 11.145 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.412 -7.265 9.756 1.00 0.00 H new ATOM 679 N SER A 46 -4.450 -8.941 6.830 1.00 0.00 N ATOM 680 CA SER A 46 -5.127 -8.773 5.544 1.00 0.00 C ATOM 681 C SER A 46 -5.796 -10.073 5.097 1.00 0.00 C ATOM 682 O SER A 46 -5.329 -11.168 5.422 1.00 0.00 O ATOM 683 CB SER A 46 -4.144 -8.290 4.475 1.00 0.00 C ATOM 684 OG SER A 46 -3.002 -9.126 4.414 1.00 0.00 O ATOM 0 H SER A 46 -3.437 -8.823 6.796 1.00 0.00 H new ATOM 0 HA SER A 46 -5.903 -8.018 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.638 -8.274 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.838 -7.267 4.694 1.00 0.00 H new ATOM 0 HG SER A 46 -2.391 -8.796 3.722 1.00 0.00 H new ATOM 690 N SER A 47 -6.883 -9.945 4.347 1.00 0.00 N ATOM 691 CA SER A 47 -7.680 -11.090 3.906 1.00 0.00 C ATOM 692 C SER A 47 -7.013 -11.865 2.758 1.00 0.00 C ATOM 693 O SER A 47 -7.689 -12.520 1.962 1.00 0.00 O ATOM 694 CB SER A 47 -9.060 -10.602 3.464 1.00 0.00 C ATOM 695 OG SER A 47 -9.665 -9.809 4.474 1.00 0.00 O ATOM 0 H SER A 47 -7.240 -9.045 4.025 1.00 0.00 H new ATOM 0 HA SER A 47 -7.767 -11.776 4.749 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.968 -10.021 2.546 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.697 -11.457 3.237 1.00 0.00 H new ATOM 0 HG SER A 47 -9.225 -8.934 4.511 1.00 0.00 H new ATOM 701 N LEU A 48 -5.694 -11.805 2.687 1.00 0.00 N ATOM 702 CA LEU A 48 -4.947 -12.526 1.674 1.00 0.00 C ATOM 703 C LEU A 48 -4.603 -13.929 2.168 1.00 0.00 C ATOM 704 O LEU A 48 -4.325 -14.123 3.349 1.00 0.00 O ATOM 705 CB LEU A 48 -3.667 -11.765 1.327 1.00 0.00 C ATOM 706 CG LEU A 48 -3.879 -10.387 0.699 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.541 -9.712 0.438 1.00 0.00 C ATOM 708 CD2 LEU A 48 -4.673 -10.505 -0.594 1.00 0.00 C ATOM 0 H LEU A 48 -5.116 -11.259 3.325 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.563 -12.611 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.077 -11.646 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.077 -12.372 0.641 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.448 -9.774 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.709 -8.732 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.003 -9.594 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.951 -10.325 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.814 -9.514 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.129 -11.134 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.645 -10.951 -0.385 1.00 0.00 H new ATOM 720 N PRO A 49 -4.648 -14.930 1.284 1.00 0.00 N ATOM 721 CA PRO A 49 -4.238 -16.295 1.621 1.00 0.00 C ATOM 722 C PRO A 49 -2.751 -16.385 1.971 1.00 0.00 C ATOM 723 O PRO A 49 -1.952 -15.554 1.529 1.00 0.00 O ATOM 724 CB PRO A 49 -4.518 -17.093 0.344 1.00 0.00 C ATOM 725 CG PRO A 49 -4.640 -16.082 -0.742 1.00 0.00 C ATOM 726 CD PRO A 49 -5.132 -14.820 -0.098 1.00 0.00 C ATOM 0 HA PRO A 49 -4.772 -16.664 2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.711 -17.796 0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.433 -17.677 0.440 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.679 -15.919 -1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.334 -16.421 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.734 -13.935 -0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.219 -14.746 -0.138 1.00 0.00 H new ATOM 734 N PRO A 50 -2.362 -17.403 2.764 1.00 0.00 N ATOM 735 CA PRO A 50 -0.956 -17.655 3.117 1.00 0.00 C ATOM 736 C PRO A 50 -0.062 -17.749 1.883 1.00 0.00 C ATOM 737 O PRO A 50 1.113 -17.388 1.928 1.00 0.00 O ATOM 738 CB PRO A 50 -1.007 -18.998 3.848 1.00 0.00 C ATOM 739 CG PRO A 50 -2.391 -19.079 4.393 1.00 0.00 C ATOM 740 CD PRO A 50 -3.269 -18.382 3.392 1.00 0.00 C ATOM 0 HA PRO A 50 -0.533 -16.849 3.716 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.799 -19.826 3.170 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.264 -19.044 4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.698 -20.116 4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.455 -18.599 5.370 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.676 -19.080 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.117 -17.894 3.873 1.00 0.00 H new ATOM 748 N PHE A 51 -0.643 -18.226 0.782 1.00 0.00 N ATOM 749 CA PHE A 51 0.046 -18.314 -0.507 1.00 0.00 C ATOM 750 C PHE A 51 0.718 -16.985 -0.857 1.00 0.00 C ATOM 751 O PHE A 51 1.901 -16.942 -1.204 1.00 0.00 O ATOM 752 CB PHE A 51 -0.968 -18.696 -1.594 1.00 0.00 C ATOM 753 CG PHE A 51 -0.371 -18.915 -2.958 1.00 0.00 C ATOM 754 CD1 PHE A 51 0.186 -20.138 -3.294 1.00 0.00 C ATOM 755 CD2 PHE A 51 -0.378 -17.903 -3.904 1.00 0.00 C ATOM 756 CE1 PHE A 51 0.728 -20.346 -4.547 1.00 0.00 C ATOM 757 CE2 PHE A 51 0.163 -18.105 -5.159 1.00 0.00 C ATOM 758 CZ PHE A 51 0.716 -19.330 -5.481 1.00 0.00 C ATOM 0 H PHE A 51 -1.606 -18.563 0.758 1.00 0.00 H new ATOM 0 HA PHE A 51 0.822 -19.077 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.484 -19.606 -1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.720 -17.910 -1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.197 -20.938 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.811 -16.945 -3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.161 -21.303 -4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.154 -17.307 -5.887 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.138 -19.492 -6.462 1.00 0.00 H new ATOM 768 N TYR A 52 -0.041 -15.901 -0.766 1.00 0.00 N ATOM 769 CA TYR A 52 0.493 -14.581 -1.016 1.00 0.00 C ATOM 770 C TYR A 52 1.332 -14.105 0.163 1.00 0.00 C ATOM 771 O TYR A 52 2.388 -13.501 -0.024 1.00 0.00 O ATOM 772 CB TYR A 52 -0.641 -13.593 -1.285 1.00 0.00 C ATOM 773 CG TYR A 52 -1.296 -13.759 -2.640 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.589 -13.518 -3.812 1.00 0.00 C ATOM 775 CD2 TYR A 52 -2.627 -14.136 -2.746 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.190 -13.653 -5.050 1.00 0.00 C ATOM 777 CE2 TYR A 52 -3.237 -14.276 -3.980 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.514 -14.032 -5.130 1.00 0.00 C ATOM 779 OH TYR A 52 -3.117 -14.166 -6.364 1.00 0.00 O ATOM 0 H TYR A 52 -1.031 -15.917 -0.520 1.00 0.00 H new ATOM 0 HA TYR A 52 1.134 -14.634 -1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.399 -13.707 -0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.252 -12.578 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.448 -13.220 -3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.198 -14.324 -1.848 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.625 -13.463 -5.951 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.273 -14.575 -4.043 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.050 -14.440 -6.244 1.00 0.00 H new ATOM 789 N LYS A 53 0.870 -14.408 1.376 1.00 0.00 N ATOM 790 CA LYS A 53 1.512 -13.910 2.591 1.00 0.00 C ATOM 791 C LYS A 53 2.966 -14.367 2.715 1.00 0.00 C ATOM 792 O LYS A 53 3.815 -13.600 3.169 1.00 0.00 O ATOM 793 CB LYS A 53 0.727 -14.322 3.839 1.00 0.00 C ATOM 794 CG LYS A 53 -0.608 -13.608 3.980 1.00 0.00 C ATOM 795 CD LYS A 53 -1.245 -13.873 5.336 1.00 0.00 C ATOM 796 CE LYS A 53 -2.561 -13.123 5.493 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.182 -13.344 6.828 1.00 0.00 N ATOM 0 H LYS A 53 0.053 -14.996 1.543 1.00 0.00 H new ATOM 0 HA LYS A 53 1.513 -12.823 2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.553 -15.398 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.333 -14.120 4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.463 -12.536 3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.283 -13.938 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.419 -14.943 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.558 -13.572 6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.388 -12.057 5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.254 -13.443 4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.211 -13.213 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.977 -14.311 7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.792 -12.662 7.510 1.00 0.00 H new ATOM 811 N GLU A 54 3.253 -15.604 2.312 1.00 0.00 N ATOM 812 CA GLU A 54 4.616 -16.131 2.385 1.00 0.00 C ATOM 813 C GLU A 54 5.585 -15.263 1.595 1.00 0.00 C ATOM 814 O GLU A 54 6.635 -14.859 2.095 1.00 0.00 O ATOM 815 CB GLU A 54 4.687 -17.561 1.843 1.00 0.00 C ATOM 816 CG GLU A 54 3.924 -18.580 2.663 1.00 0.00 C ATOM 817 CD GLU A 54 4.162 -19.994 2.176 1.00 0.00 C ATOM 818 OE1 GLU A 54 3.466 -20.433 1.234 1.00 0.00 O ATOM 819 OE2 GLU A 54 5.048 -20.675 2.729 1.00 0.00 O ATOM 0 H GLU A 54 2.566 -16.256 1.934 1.00 0.00 H new ATOM 0 HA GLU A 54 4.899 -16.127 3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.300 -17.570 0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.732 -17.865 1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.223 -18.501 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.858 -18.356 2.619 1.00 0.00 H new ATOM 826 N ARG A 55 5.210 -14.968 0.364 1.00 0.00 N ATOM 827 CA ARG A 55 6.074 -14.242 -0.555 1.00 0.00 C ATOM 828 C ARG A 55 6.131 -12.759 -0.208 1.00 0.00 C ATOM 829 O ARG A 55 7.091 -12.072 -0.547 1.00 0.00 O ATOM 830 CB ARG A 55 5.600 -14.477 -1.987 1.00 0.00 C ATOM 831 CG ARG A 55 5.797 -15.921 -2.414 1.00 0.00 C ATOM 832 CD ARG A 55 5.037 -16.265 -3.678 1.00 0.00 C ATOM 833 NE ARG A 55 5.290 -17.649 -4.076 1.00 0.00 N ATOM 834 CZ ARG A 55 4.560 -18.697 -3.678 1.00 0.00 C ATOM 835 NH1 ARG A 55 3.505 -18.522 -2.892 1.00 0.00 N ATOM 836 NH2 ARG A 55 4.893 -19.924 -4.066 1.00 0.00 N ATOM 0 H ARG A 55 4.303 -15.222 -0.028 1.00 0.00 H new ATOM 0 HA ARG A 55 7.093 -14.618 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.545 -14.214 -2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.146 -13.820 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.859 -16.107 -2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.473 -16.581 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.969 -16.118 -3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.334 -15.591 -4.481 1.00 0.00 H new ATOM 0 HE ARG A 55 6.077 -17.828 -4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.246 -17.584 -2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.953 -19.326 -2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.705 -20.066 -4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.337 -20.723 -3.763 1.00 0.00 H new ATOM 850 N LEU A 56 5.099 -12.273 0.470 1.00 0.00 N ATOM 851 CA LEU A 56 5.108 -10.913 0.995 1.00 0.00 C ATOM 852 C LEU A 56 6.083 -10.803 2.163 1.00 0.00 C ATOM 853 O LEU A 56 6.850 -9.846 2.263 1.00 0.00 O ATOM 854 CB LEU A 56 3.701 -10.507 1.444 1.00 0.00 C ATOM 855 CG LEU A 56 2.686 -10.309 0.317 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.299 -10.055 0.887 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.105 -9.154 -0.578 1.00 0.00 C ATOM 0 H LEU A 56 4.248 -12.798 0.669 1.00 0.00 H new ATOM 0 HA LEU A 56 5.432 -10.238 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.320 -11.270 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.773 -9.580 2.013 1.00 0.00 H new ATOM 0 HG LEU A 56 2.655 -11.220 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.590 -9.916 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.993 -10.908 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.319 -9.158 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.372 -9.027 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.163 -8.239 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.081 -9.367 -1.014 1.00 0.00 H new ATOM 869 N LEU A 57 6.038 -11.793 3.047 1.00 0.00 N ATOM 870 CA LEU A 57 6.943 -11.865 4.183 1.00 0.00 C ATOM 871 C LEU A 57 8.387 -12.016 3.705 1.00 0.00 C ATOM 872 O LEU A 57 9.285 -11.314 4.165 1.00 0.00 O ATOM 873 CB LEU A 57 6.549 -13.056 5.062 1.00 0.00 C ATOM 874 CG LEU A 57 6.777 -12.882 6.563 1.00 0.00 C ATOM 875 CD1 LEU A 57 6.159 -14.040 7.328 1.00 0.00 C ATOM 876 CD2 LEU A 57 8.260 -12.769 6.889 1.00 0.00 C ATOM 0 H LEU A 57 5.374 -12.566 2.995 1.00 0.00 H new ATOM 0 HA LEU A 57 6.870 -10.944 4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.493 -13.271 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.108 -13.930 4.728 1.00 0.00 H new ATOM 0 HG LEU A 57 6.293 -11.954 6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.329 -13.903 8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.087 -14.074 7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.617 -14.975 7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.388 -12.646 7.964 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.774 -13.673 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.681 -11.906 6.373 1.00 0.00 H new ATOM 888 N ALA A 58 8.598 -12.929 2.765 1.00 0.00 N ATOM 889 CA ALA A 58 9.930 -13.211 2.248 1.00 0.00 C ATOM 890 C ALA A 58 10.272 -12.310 1.064 1.00 0.00 C ATOM 891 O ALA A 58 10.992 -12.713 0.147 1.00 0.00 O ATOM 892 CB ALA A 58 10.029 -14.672 1.841 1.00 0.00 C ATOM 0 H ALA A 58 7.858 -13.490 2.343 1.00 0.00 H new ATOM 0 HA ALA A 58 10.650 -13.007 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.028 -14.875 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.839 -15.305 2.708 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.291 -14.885 1.067 1.00 0.00 H new ATOM 898 N LEU A 59 9.777 -11.078 1.099 1.00 0.00 N ATOM 899 CA LEU A 59 10.018 -10.130 0.037 1.00 0.00 C ATOM 900 C LEU A 59 11.421 -9.558 0.138 1.00 0.00 C ATOM 901 O LEU A 59 12.065 -9.607 1.189 1.00 0.00 O ATOM 902 CB LEU A 59 8.982 -9.009 0.098 1.00 0.00 C ATOM 903 CG LEU A 59 8.041 -8.913 -1.103 1.00 0.00 C ATOM 904 CD1 LEU A 59 6.987 -7.845 -0.867 1.00 0.00 C ATOM 905 CD2 LEU A 59 8.822 -8.612 -2.374 1.00 0.00 C ATOM 0 H LEU A 59 9.203 -10.718 1.861 1.00 0.00 H new ATOM 0 HA LEU A 59 9.928 -10.645 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.381 -9.142 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.506 -8.059 0.203 1.00 0.00 H new ATOM 0 HG LEU A 59 7.542 -9.875 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.325 -7.790 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.405 -8.097 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.473 -6.881 -0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.134 -8.548 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.348 -7.664 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.544 -9.408 -2.555 1.00 0.00 H new ATOM 917 N ASN A 60 11.883 -9.004 -0.963 1.00 0.00 N ATOM 918 CA ASN A 60 13.218 -8.473 -1.054 1.00 0.00 C ATOM 919 C ASN A 60 13.227 -6.989 -0.737 1.00 0.00 C ATOM 920 O ASN A 60 14.202 -6.290 -1.006 1.00 0.00 O ATOM 921 CB ASN A 60 13.738 -8.688 -2.461 1.00 0.00 C ATOM 922 CG ASN A 60 13.762 -10.147 -2.866 1.00 0.00 C ATOM 923 OD1 ASN A 60 14.723 -10.864 -2.600 1.00 0.00 O ATOM 924 ND2 ASN A 60 12.720 -10.586 -3.552 1.00 0.00 N ATOM 0 H ASN A 60 11.338 -8.911 -1.820 1.00 0.00 H new ATOM 0 HA ASN A 60 13.854 -8.986 -0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.115 -8.132 -3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.745 -8.279 -2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.696 -11.551 -3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.941 -9.959 -3.753 1.00 0.00 H new ATOM 931 N ASP A 61 12.144 -6.525 -0.146 1.00 0.00 N ATOM 932 CA ASP A 61 11.932 -5.106 0.046 1.00 0.00 C ATOM 933 C ASP A 61 12.336 -4.683 1.452 1.00 0.00 C ATOM 934 O ASP A 61 12.311 -5.481 2.392 1.00 0.00 O ATOM 935 CB ASP A 61 10.467 -4.750 -0.221 1.00 0.00 C ATOM 936 CG ASP A 61 10.263 -3.261 -0.407 1.00 0.00 C ATOM 937 OD1 ASP A 61 10.091 -2.547 0.599 1.00 0.00 O ATOM 938 OD2 ASP A 61 10.286 -2.795 -1.562 1.00 0.00 O ATOM 0 H ASP A 61 11.393 -7.115 0.211 1.00 0.00 H new ATOM 0 HA ASP A 61 12.559 -4.565 -0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.124 -5.276 -1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.853 -5.098 0.610 1.00 0.00 H new ATOM 943 N SER A 62 12.703 -3.424 1.581 1.00 0.00 N ATOM 944 CA SER A 62 13.190 -2.884 2.842 1.00 0.00 C ATOM 945 C SER A 62 12.041 -2.419 3.736 1.00 0.00 C ATOM 946 O SER A 62 12.235 -2.161 4.923 1.00 0.00 O ATOM 947 CB SER A 62 14.146 -1.722 2.571 1.00 0.00 C ATOM 948 OG SER A 62 15.207 -2.126 1.720 1.00 0.00 O ATOM 0 H SER A 62 12.674 -2.746 0.820 1.00 0.00 H new ATOM 0 HA SER A 62 13.719 -3.679 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.601 -0.897 2.112 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.551 -1.352 3.513 1.00 0.00 H new ATOM 0 HG SER A 62 15.805 -1.366 1.559 1.00 0.00 H new ATOM 954 N ARG A 63 10.849 -2.308 3.168 1.00 0.00 N ATOM 955 CA ARG A 63 9.674 -1.896 3.931 1.00 0.00 C ATOM 956 C ARG A 63 9.050 -3.088 4.640 1.00 0.00 C ATOM 957 O ARG A 63 8.106 -2.941 5.414 1.00 0.00 O ATOM 958 CB ARG A 63 8.651 -1.232 3.012 1.00 0.00 C ATOM 959 CG ARG A 63 9.099 0.118 2.485 1.00 0.00 C ATOM 960 CD ARG A 63 8.303 0.527 1.260 1.00 0.00 C ATOM 961 NE ARG A 63 8.594 -0.334 0.114 1.00 0.00 N ATOM 962 CZ ARG A 63 8.177 -0.098 -1.129 1.00 0.00 C ATOM 963 NH1 ARG A 63 7.423 0.960 -1.399 1.00 0.00 N ATOM 964 NH2 ARG A 63 8.519 -0.920 -2.111 1.00 0.00 N ATOM 0 H ARG A 63 10.667 -2.497 2.182 1.00 0.00 H new ATOM 0 HA ARG A 63 9.989 -1.174 4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.448 -1.893 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.713 -1.109 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.983 0.871 3.264 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.159 0.079 2.235 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.238 0.483 1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.533 1.562 1.005 1.00 0.00 H new ATOM 0 HE ARG A 63 9.154 -1.171 0.277 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.158 1.601 -0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.109 1.132 -2.354 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.102 -1.734 -1.915 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.199 -0.739 -3.062 1.00 0.00 H new ATOM 978 N ILE A 64 9.582 -4.270 4.364 1.00 0.00 N ATOM 979 CA ILE A 64 9.124 -5.483 5.016 1.00 0.00 C ATOM 980 C ILE A 64 9.565 -5.489 6.472 1.00 0.00 C ATOM 981 O ILE A 64 10.746 -5.663 6.780 1.00 0.00 O ATOM 982 CB ILE A 64 9.643 -6.750 4.298 1.00 0.00 C ATOM 983 CG1 ILE A 64 9.123 -6.784 2.860 1.00 0.00 C ATOM 984 CG2 ILE A 64 9.228 -8.011 5.049 1.00 0.00 C ATOM 985 CD1 ILE A 64 7.615 -6.687 2.751 1.00 0.00 C ATOM 0 H ILE A 64 10.334 -4.412 3.690 1.00 0.00 H new ATOM 0 HA ILE A 64 8.035 -5.497 4.966 1.00 0.00 H new ATOM 0 HB ILE A 64 10.732 -6.716 4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 64 9.572 -5.962 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.453 -7.708 2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 64 9.605 -8.888 4.523 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.641 -7.986 6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.141 -8.061 5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.323 -6.718 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.157 -7.523 3.279 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.278 -5.750 3.194 1.00 0.00 H new ATOM 997 N THR A 65 8.605 -5.268 7.352 1.00 0.00 N ATOM 998 CA THR A 65 8.869 -5.157 8.775 1.00 0.00 C ATOM 999 C THR A 65 8.630 -6.485 9.485 1.00 0.00 C ATOM 1000 O THR A 65 7.996 -7.390 8.933 1.00 0.00 O ATOM 1001 CB THR A 65 7.980 -4.068 9.405 1.00 0.00 C ATOM 1002 OG1 THR A 65 6.605 -4.289 9.048 1.00 0.00 O ATOM 1003 CG2 THR A 65 8.412 -2.681 8.948 1.00 0.00 C ATOM 0 H THR A 65 7.622 -5.161 7.101 1.00 0.00 H new ATOM 0 HA THR A 65 9.917 -4.882 8.896 1.00 0.00 H new ATOM 0 HB THR A 65 8.088 -4.125 10.488 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.343 -3.655 8.348 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.769 -1.930 9.407 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.445 -2.505 9.247 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.331 -2.614 7.863 1.00 0.00 H new ATOM 1011 N SER A 66 9.123 -6.595 10.713 1.00 0.00 N ATOM 1012 CA SER A 66 8.945 -7.802 11.505 1.00 0.00 C ATOM 1013 C SER A 66 7.495 -7.911 11.970 1.00 0.00 C ATOM 1014 O SER A 66 7.008 -8.997 12.291 1.00 0.00 O ATOM 1015 CB SER A 66 9.894 -7.781 12.703 1.00 0.00 C ATOM 1016 OG SER A 66 11.232 -7.528 12.286 1.00 0.00 O ATOM 0 H SER A 66 9.651 -5.859 11.182 1.00 0.00 H new ATOM 0 HA SER A 66 9.178 -8.673 10.892 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.578 -7.014 13.409 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.846 -8.736 13.227 1.00 0.00 H new ATOM 0 HG SER A 66 11.822 -7.517 13.068 1.00 0.00 H new ATOM 1022 N ASP A 67 6.812 -6.769 11.985 1.00 0.00 N ATOM 1023 CA ASP A 67 5.392 -6.719 12.304 1.00 0.00 C ATOM 1024 C ASP A 67 4.564 -7.231 11.136 1.00 0.00 C ATOM 1025 O ASP A 67 3.408 -7.616 11.299 1.00 0.00 O ATOM 1026 CB ASP A 67 4.960 -5.286 12.625 1.00 0.00 C ATOM 1027 CG ASP A 67 5.365 -4.830 14.008 1.00 0.00 C ATOM 1028 OD1 ASP A 67 6.579 -4.680 14.262 1.00 0.00 O ATOM 1029 OD2 ASP A 67 4.465 -4.587 14.838 1.00 0.00 O ATOM 0 H ASP A 67 7.226 -5.860 11.778 1.00 0.00 H new ATOM 0 HA ASP A 67 5.226 -7.352 13.175 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.393 -4.611 11.887 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.877 -5.211 12.529 1.00 0.00 H new ATOM 1034 N GLY A 68 5.170 -7.229 9.957 1.00 0.00 N ATOM 1035 CA GLY A 68 4.464 -7.620 8.755 1.00 0.00 C ATOM 1036 C GLY A 68 3.538 -6.525 8.273 1.00 0.00 C ATOM 1037 O GLY A 68 2.457 -6.795 7.755 1.00 0.00 O ATOM 0 H GLY A 68 6.144 -6.962 9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.183 -7.860 7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.889 -8.525 8.948 1.00 0.00 H new ATOM 1041 N VAL A 69 3.961 -5.279 8.456 1.00 0.00 N ATOM 1042 CA VAL A 69 3.138 -4.139 8.080 1.00 0.00 C ATOM 1043 C VAL A 69 3.827 -3.297 7.014 1.00 0.00 C ATOM 1044 O VAL A 69 5.004 -2.956 7.142 1.00 0.00 O ATOM 1045 CB VAL A 69 2.826 -3.238 9.292 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.832 -2.147 8.920 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.304 -4.059 10.458 1.00 0.00 C ATOM 0 H VAL A 69 4.865 -5.035 8.861 1.00 0.00 H new ATOM 0 HA VAL A 69 2.206 -4.544 7.686 1.00 0.00 H new ATOM 0 HB VAL A 69 3.756 -2.760 9.599 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.630 -1.526 9.793 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.250 -1.530 8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.904 -2.603 8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.091 -3.401 11.300 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.391 -4.574 10.160 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.055 -4.793 10.751 1.00 0.00 H new ATOM 1057 N ILE A 70 3.092 -2.981 5.964 1.00 0.00 N ATOM 1058 CA ILE A 70 3.578 -2.085 4.928 1.00 0.00 C ATOM 1059 C ILE A 70 3.044 -0.680 5.170 1.00 0.00 C ATOM 1060 O ILE A 70 1.853 -0.424 4.999 1.00 0.00 O ATOM 1061 CB ILE A 70 3.147 -2.556 3.520 1.00 0.00 C ATOM 1062 CG1 ILE A 70 3.752 -3.924 3.199 1.00 0.00 C ATOM 1063 CG2 ILE A 70 3.561 -1.543 2.461 1.00 0.00 C ATOM 1064 CD1 ILE A 70 5.254 -3.889 3.014 1.00 0.00 C ATOM 0 H ILE A 70 2.149 -3.334 5.804 1.00 0.00 H new ATOM 0 HA ILE A 70 4.667 -2.087 4.972 1.00 0.00 H new ATOM 0 HB ILE A 70 2.060 -2.643 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.509 -4.618 4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.291 -4.313 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.248 -1.895 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.088 -0.584 2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.644 -1.424 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.616 -4.892 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.504 -3.220 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.725 -3.530 3.929 1.00 0.00 H new ATOM 1076 N VAL A 71 3.922 0.222 5.587 1.00 0.00 N ATOM 1077 CA VAL A 71 3.534 1.606 5.817 1.00 0.00 C ATOM 1078 C VAL A 71 4.026 2.477 4.671 1.00 0.00 C ATOM 1079 O VAL A 71 5.204 2.436 4.311 1.00 0.00 O ATOM 1080 CB VAL A 71 4.093 2.153 7.152 1.00 0.00 C ATOM 1081 CG1 VAL A 71 3.574 3.556 7.425 1.00 0.00 C ATOM 1082 CG2 VAL A 71 3.754 1.216 8.306 1.00 0.00 C ATOM 0 H VAL A 71 4.905 0.021 5.772 1.00 0.00 H new ATOM 0 HA VAL A 71 2.446 1.634 5.873 1.00 0.00 H new ATOM 0 HB VAL A 71 5.178 2.206 7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.982 3.917 8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.882 4.221 6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.486 3.536 7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.157 1.621 9.234 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.672 1.121 8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.191 0.235 8.118 1.00 0.00 H new ATOM 1092 N LEU A 72 3.124 3.246 4.087 1.00 0.00 N ATOM 1093 CA LEU A 72 3.479 4.094 2.960 1.00 0.00 C ATOM 1094 C LEU A 72 3.106 5.540 3.222 1.00 0.00 C ATOM 1095 O LEU A 72 2.211 5.842 4.019 1.00 0.00 O ATOM 1096 CB LEU A 72 2.789 3.654 1.660 1.00 0.00 C ATOM 1097 CG LEU A 72 2.898 2.169 1.304 1.00 0.00 C ATOM 1098 CD1 LEU A 72 1.830 1.356 2.022 1.00 0.00 C ATOM 1099 CD2 LEU A 72 2.791 1.974 -0.201 1.00 0.00 C ATOM 0 H LEU A 72 2.146 3.302 4.371 1.00 0.00 H new ATOM 0 HA LEU A 72 4.558 3.997 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.732 3.913 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.206 4.235 0.837 1.00 0.00 H new ATOM 0 HG LEU A 72 3.874 1.813 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.930 0.305 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.952 1.467 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.843 1.714 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.870 0.913 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.830 2.352 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.596 2.517 -0.696 1.00 0.00 H new ATOM 1111 N LYS A 73 3.798 6.418 2.522 1.00 0.00 N ATOM 1112 CA LYS A 73 3.491 7.834 2.511 1.00 0.00 C ATOM 1113 C LYS A 73 3.456 8.311 1.073 1.00 0.00 C ATOM 1114 O LYS A 73 4.492 8.464 0.425 1.00 0.00 O ATOM 1115 CB LYS A 73 4.517 8.649 3.296 1.00 0.00 C ATOM 1116 CG LYS A 73 4.539 8.361 4.789 1.00 0.00 C ATOM 1117 CD LYS A 73 5.597 9.194 5.498 1.00 0.00 C ATOM 1118 CE LYS A 73 5.486 9.070 7.012 1.00 0.00 C ATOM 1119 NZ LYS A 73 6.567 9.810 7.715 1.00 0.00 N ATOM 0 H LYS A 73 4.596 6.165 1.940 1.00 0.00 H new ATOM 0 HA LYS A 73 2.523 7.979 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.508 8.454 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.313 9.709 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.559 8.573 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.736 7.302 4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.588 8.873 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.491 10.240 5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.517 9.450 7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.526 8.018 7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.453 9.698 8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.492 9.431 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.514 10.819 7.468 1.00 0.00 H new ATOM 1133 N ALA A 74 2.262 8.517 0.575 1.00 0.00 N ATOM 1134 CA ALA A 74 2.067 8.876 -0.820 1.00 0.00 C ATOM 1135 C ALA A 74 2.168 10.377 -1.014 1.00 0.00 C ATOM 1136 O ALA A 74 1.243 11.116 -0.695 1.00 0.00 O ATOM 1137 CB ALA A 74 0.730 8.358 -1.326 1.00 0.00 C ATOM 0 H ALA A 74 1.400 8.443 1.115 1.00 0.00 H new ATOM 0 HA ALA A 74 2.860 8.407 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.604 8.637 -2.372 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.702 7.272 -1.235 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.076 8.793 -0.735 1.00 0.00 H new ATOM 1143 N GLN A 75 3.307 10.821 -1.520 1.00 0.00 N ATOM 1144 CA GLN A 75 3.540 12.232 -1.772 1.00 0.00 C ATOM 1145 C GLN A 75 3.891 12.463 -3.238 1.00 0.00 C ATOM 1146 O GLN A 75 4.461 13.491 -3.596 1.00 0.00 O ATOM 1147 CB GLN A 75 4.674 12.738 -0.888 1.00 0.00 C ATOM 1148 CG GLN A 75 5.993 12.007 -1.107 1.00 0.00 C ATOM 1149 CD GLN A 75 7.119 12.574 -0.268 1.00 0.00 C ATOM 1150 OE1 GLN A 75 7.829 13.484 -0.692 1.00 0.00 O ATOM 1151 NE2 GLN A 75 7.291 12.038 0.930 1.00 0.00 N ATOM 0 H GLN A 75 4.091 10.217 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 75 2.627 12.780 -1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.822 13.801 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.381 12.636 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.863 10.951 -0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.265 12.065 -2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.680 11.284 1.244 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.035 12.379 1.539 1.00 0.00 H new ATOM 1160 N GLN A 76 3.532 11.500 -4.076 1.00 0.00 N ATOM 1161 CA GLN A 76 3.897 11.531 -5.487 1.00 0.00 C ATOM 1162 C GLN A 76 3.160 12.652 -6.220 1.00 0.00 C ATOM 1163 O GLN A 76 3.779 13.519 -6.838 1.00 0.00 O ATOM 1164 CB GLN A 76 3.587 10.178 -6.137 1.00 0.00 C ATOM 1165 CG GLN A 76 4.083 10.059 -7.569 1.00 0.00 C ATOM 1166 CD GLN A 76 5.597 10.118 -7.679 1.00 0.00 C ATOM 1167 OE1 GLN A 76 6.290 9.610 -6.670 1.00 0.00 O flip ATOM 1168 NE2 GLN A 76 6.138 10.599 -8.674 1.00 0.00 N flip ATOM 0 H GLN A 76 2.986 10.683 -3.802 1.00 0.00 H new ATOM 0 HA GLN A 76 4.967 11.726 -5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.038 9.386 -5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.509 10.016 -6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.730 9.119 -7.993 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.649 10.861 -8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.569 10.980 -9.430 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.156 10.616 -8.743 1.00 0.00 H new ATOM 1177 N TYR A 77 1.838 12.625 -6.141 1.00 0.00 N ATOM 1178 CA TYR A 77 1.000 13.620 -6.759 1.00 0.00 C ATOM 1179 C TYR A 77 0.790 14.806 -5.827 1.00 0.00 C ATOM 1180 O TYR A 77 1.060 14.726 -4.623 1.00 0.00 O ATOM 1181 CB TYR A 77 -0.340 12.981 -7.100 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.427 12.417 -8.502 1.00 0.00 C ATOM 1183 CD1 TYR A 77 0.157 11.197 -8.827 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -1.107 13.104 -9.500 1.00 0.00 C ATOM 1185 CE1 TYR A 77 0.068 10.683 -10.108 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -1.202 12.595 -10.779 1.00 0.00 C ATOM 1187 CZ TYR A 77 -0.616 11.387 -11.077 1.00 0.00 C ATOM 1188 OH TYR A 77 -0.710 10.880 -12.353 1.00 0.00 O ATOM 0 H TYR A 77 1.321 11.903 -5.640 1.00 0.00 H new ATOM 0 HA TYR A 77 1.483 13.987 -7.665 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.539 12.181 -6.387 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.126 13.725 -6.972 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.688 10.643 -8.067 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.569 14.053 -9.271 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.531 9.737 -10.348 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.734 13.143 -11.543 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.225 11.497 -12.913 1.00 0.00 H new ATOM 1198 N ARG A 78 0.310 15.909 -6.383 1.00 0.00 N ATOM 1199 CA ARG A 78 0.026 17.089 -5.583 1.00 0.00 C ATOM 1200 C ARG A 78 -1.408 17.048 -5.076 1.00 0.00 C ATOM 1201 O ARG A 78 -1.808 17.839 -4.222 1.00 0.00 O ATOM 1202 CB ARG A 78 0.269 18.366 -6.388 1.00 0.00 C ATOM 1203 CG ARG A 78 0.399 19.603 -5.516 1.00 0.00 C ATOM 1204 CD ARG A 78 1.362 19.346 -4.369 1.00 0.00 C ATOM 1205 NE ARG A 78 1.602 20.526 -3.545 1.00 0.00 N ATOM 1206 CZ ARG A 78 1.887 20.466 -2.244 1.00 0.00 C ATOM 1207 NH1 ARG A 78 1.877 19.298 -1.609 1.00 0.00 N ATOM 1208 NH2 ARG A 78 2.170 21.572 -1.572 1.00 0.00 N ATOM 0 H ARG A 78 0.110 16.011 -7.378 1.00 0.00 H new ATOM 0 HA ARG A 78 0.702 17.093 -4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.177 18.248 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.553 18.508 -7.090 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.753 20.442 -6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.578 19.882 -5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.965 18.547 -3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.311 18.993 -4.772 1.00 0.00 H new ATOM 0 HE ARG A 78 1.549 21.444 -3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.651 18.443 -2.117 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.096 19.257 -0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.170 22.473 -2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.388 21.522 -0.577 1.00 0.00 H new ATOM 1222 N THR A 79 -2.170 16.120 -5.614 1.00 0.00 N ATOM 1223 CA THR A 79 -3.537 15.898 -5.183 1.00 0.00 C ATOM 1224 C THR A 79 -3.648 14.584 -4.410 1.00 0.00 C ATOM 1225 O THR A 79 -3.103 13.559 -4.826 1.00 0.00 O ATOM 1226 CB THR A 79 -4.490 15.892 -6.391 1.00 0.00 C ATOM 1227 OG1 THR A 79 -3.808 15.373 -7.541 1.00 0.00 O ATOM 1228 CG2 THR A 79 -4.999 17.294 -6.688 1.00 0.00 C ATOM 0 H THR A 79 -1.862 15.498 -6.361 1.00 0.00 H new ATOM 0 HA THR A 79 -3.825 16.714 -4.521 1.00 0.00 H new ATOM 0 HB THR A 79 -5.344 15.258 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.417 15.369 -8.308 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.671 17.263 -7.546 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.536 17.678 -5.820 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.156 17.948 -6.911 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.350 14.624 -3.282 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.453 13.471 -2.395 1.00 0.00 C ATOM 1238 C GLN A 80 -5.218 12.330 -3.060 1.00 0.00 C ATOM 1239 O GLN A 80 -4.798 11.175 -3.006 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.135 13.869 -1.084 1.00 0.00 C ATOM 1241 CG GLN A 80 -4.420 14.985 -0.338 1.00 0.00 C ATOM 1242 CD GLN A 80 -5.104 15.343 0.966 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -6.319 15.200 1.101 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -4.336 15.817 1.935 1.00 0.00 N ATOM 0 H GLN A 80 -4.858 15.447 -2.960 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.443 13.122 -2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.157 14.183 -1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.198 12.994 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.393 14.682 -0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.371 15.869 -0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.332 15.921 1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.748 16.078 2.831 1.00 0.00 H new ATOM 1253 N GLU A 81 -6.328 12.667 -3.709 1.00 0.00 N ATOM 1254 CA GLU A 81 -7.172 11.663 -4.354 1.00 0.00 C ATOM 1255 C GLU A 81 -6.423 10.975 -5.496 1.00 0.00 C ATOM 1256 O GLU A 81 -6.636 9.796 -5.774 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.462 12.305 -4.879 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.498 11.299 -5.363 1.00 0.00 C ATOM 1259 CD GLU A 81 -10.223 10.584 -4.234 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -9.637 10.408 -3.143 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -11.402 10.218 -4.428 1.00 0.00 O ATOM 0 H GLU A 81 -6.665 13.625 -3.803 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.432 10.910 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.902 12.913 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.214 12.979 -5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.230 11.814 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.007 10.559 -5.995 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.545 11.715 -6.155 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.741 11.155 -7.231 1.00 0.00 C ATOM 1270 C GLN A 82 -3.617 10.288 -6.668 1.00 0.00 C ATOM 1271 O GLN A 82 -3.280 9.252 -7.242 1.00 0.00 O ATOM 1272 CB GLN A 82 -4.188 12.265 -8.125 1.00 0.00 C ATOM 1273 CG GLN A 82 -5.160 12.733 -9.207 1.00 0.00 C ATOM 1274 CD GLN A 82 -6.508 13.181 -8.666 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -6.695 14.346 -8.318 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -7.463 12.263 -8.608 1.00 0.00 N ATOM 0 H GLN A 82 -5.371 12.702 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.380 10.519 -7.844 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.916 13.117 -7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.273 11.912 -8.601 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.707 13.558 -9.757 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.315 11.922 -9.919 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.270 11.307 -8.906 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.391 12.513 -8.266 1.00 0.00 H new ATOM 1285 N ASN A 83 -3.054 10.707 -5.535 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.073 9.893 -4.817 1.00 0.00 C ATOM 1287 C ASN A 83 -2.695 8.573 -4.403 1.00 0.00 C ATOM 1288 O ASN A 83 -2.042 7.535 -4.407 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.550 10.623 -3.577 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.220 11.296 -3.825 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.593 10.812 -4.607 1.00 0.00 O ATOM 1292 ND2 ASN A 83 0.020 12.406 -3.152 1.00 0.00 N ATOM 0 H ASN A 83 -3.260 11.604 -5.095 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.235 9.708 -5.489 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.279 11.370 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.448 9.913 -2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.908 12.894 -3.273 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.682 12.776 -2.511 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.971 8.639 -4.042 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.764 7.462 -3.706 1.00 0.00 C ATOM 1301 C ARG A 84 -4.681 6.430 -4.824 1.00 0.00 C ATOM 1302 O ARG A 84 -4.357 5.268 -4.590 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.219 7.889 -3.513 1.00 0.00 C ATOM 1304 CG ARG A 84 -7.116 6.841 -2.887 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.557 7.326 -2.862 1.00 0.00 C ATOM 1306 NE ARG A 84 -9.370 6.601 -1.891 1.00 0.00 N ATOM 1307 CZ ARG A 84 -10.194 7.193 -1.030 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -10.413 8.506 -1.104 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -10.823 6.467 -0.114 1.00 0.00 N ATOM 0 H ARG A 84 -4.488 9.516 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.377 7.015 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.240 8.783 -2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.632 8.167 -4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.048 5.911 -3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.780 6.624 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.576 8.390 -2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.993 7.212 -3.854 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.303 5.583 -1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.948 9.061 -1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.045 8.956 -0.442 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.674 5.459 -0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.455 6.917 0.548 1.00 0.00 H new ATOM 1323 N ALA A 85 -4.965 6.881 -6.036 1.00 0.00 N ATOM 1324 CA ALA A 85 -4.970 6.014 -7.210 1.00 0.00 C ATOM 1325 C ALA A 85 -3.579 5.454 -7.515 1.00 0.00 C ATOM 1326 O ALA A 85 -3.440 4.282 -7.872 1.00 0.00 O ATOM 1327 CB ALA A 85 -5.507 6.772 -8.411 1.00 0.00 C ATOM 0 H ALA A 85 -5.198 7.854 -6.236 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.621 5.167 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.508 6.118 -9.283 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.525 7.105 -8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.875 7.638 -8.607 1.00 0.00 H new ATOM 1333 N ASP A 86 -2.556 6.291 -7.387 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.181 5.860 -7.646 1.00 0.00 C ATOM 1335 C ASP A 86 -0.750 4.828 -6.616 1.00 0.00 C ATOM 1336 O ASP A 86 -0.210 3.771 -6.957 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.224 7.051 -7.600 1.00 0.00 C ATOM 1338 CG ASP A 86 1.181 6.684 -8.048 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.455 6.739 -9.270 1.00 0.00 O ATOM 1340 OD2 ASP A 86 2.020 6.347 -7.187 1.00 0.00 O ATOM 0 H ASP A 86 -2.648 7.268 -7.107 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.148 5.416 -8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.609 7.847 -8.237 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.187 7.445 -6.584 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.006 5.145 -5.354 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.670 4.260 -4.250 1.00 0.00 C ATOM 1347 C ALA A 87 -1.355 2.908 -4.399 1.00 0.00 C ATOM 1348 O ALA A 87 -0.728 1.868 -4.207 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.050 4.896 -2.919 1.00 0.00 C ATOM 0 H ALA A 87 -1.450 6.018 -5.069 1.00 0.00 H new ATOM 0 HA ALA A 87 0.408 4.100 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.791 4.219 -2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.509 5.834 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.122 5.091 -2.902 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.640 2.922 -4.747 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.394 1.688 -4.941 1.00 0.00 C ATOM 1357 C LEU A 88 -2.800 0.861 -6.078 1.00 0.00 C ATOM 1358 O LEU A 88 -2.696 -0.362 -5.978 1.00 0.00 O ATOM 1359 CB LEU A 88 -4.867 1.992 -5.227 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.655 2.571 -4.049 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.085 2.880 -4.463 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.640 1.603 -2.875 1.00 0.00 C ATOM 0 H LEU A 88 -3.179 3.774 -4.900 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.329 1.109 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.921 2.694 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.354 1.073 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.178 3.501 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.629 3.291 -3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.080 3.607 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.573 1.965 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.204 2.029 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.094 0.659 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.611 1.427 -2.562 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.401 1.538 -7.150 1.00 0.00 N ATOM 1375 CA LEU A 89 -1.789 0.877 -8.293 1.00 0.00 C ATOM 1376 C LEU A 89 -0.476 0.216 -7.876 1.00 0.00 C ATOM 1377 O LEU A 89 -0.261 -0.975 -8.108 1.00 0.00 O ATOM 1378 CB LEU A 89 -1.560 1.897 -9.424 1.00 0.00 C ATOM 1379 CG LEU A 89 -1.216 1.326 -10.810 1.00 0.00 C ATOM 1380 CD1 LEU A 89 0.221 0.832 -10.874 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -2.175 0.205 -11.180 1.00 0.00 C ATOM 0 H LEU A 89 -2.492 2.549 -7.249 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.457 0.099 -8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.459 2.506 -9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.754 2.565 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.322 2.136 -11.532 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.426 0.436 -11.869 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.900 1.659 -10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.369 0.046 -10.133 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.915 -0.186 -12.164 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.103 -0.594 -10.442 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.194 0.590 -11.200 1.00 0.00 H new ATOM 1393 N ARG A 90 0.391 0.990 -7.236 1.00 0.00 N ATOM 1394 CA ARG A 90 1.684 0.485 -6.789 1.00 0.00 C ATOM 1395 C ARG A 90 1.521 -0.591 -5.716 1.00 0.00 C ATOM 1396 O ARG A 90 2.335 -1.511 -5.626 1.00 0.00 O ATOM 1397 CB ARG A 90 2.560 1.633 -6.284 1.00 0.00 C ATOM 1398 CG ARG A 90 3.263 2.381 -7.404 1.00 0.00 C ATOM 1399 CD ARG A 90 4.046 3.575 -6.883 1.00 0.00 C ATOM 1400 NE ARG A 90 5.165 3.920 -7.765 1.00 0.00 N ATOM 1401 CZ ARG A 90 5.383 5.135 -8.268 1.00 0.00 C ATOM 1402 NH1 ARG A 90 4.496 6.106 -8.089 1.00 0.00 N ATOM 1403 NH2 ARG A 90 6.484 5.370 -8.978 1.00 0.00 N ATOM 0 H ARG A 90 0.223 1.971 -7.014 1.00 0.00 H new ATOM 0 HA ARG A 90 2.179 0.023 -7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.943 2.332 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.306 1.237 -5.595 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.939 1.703 -7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.527 2.720 -8.133 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.380 4.433 -6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.425 3.354 -5.885 1.00 0.00 H new ATOM 0 HE ARG A 90 5.822 3.179 -8.011 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.641 5.925 -7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.670 7.033 -8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.158 4.621 -9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.653 6.299 -9.364 1.00 0.00 H new ATOM 1417 N LEU A 91 0.463 -0.480 -4.921 1.00 0.00 N ATOM 1418 CA LEU A 91 0.151 -1.491 -3.915 1.00 0.00 C ATOM 1419 C LEU A 91 -0.187 -2.811 -4.588 1.00 0.00 C ATOM 1420 O LEU A 91 0.374 -3.854 -4.254 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.033 -1.041 -3.057 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.364 -1.948 -1.869 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -0.212 -1.981 -0.878 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.647 -1.487 -1.190 1.00 0.00 C ATOM 0 H LEU A 91 -0.194 0.300 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 91 1.025 -1.623 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.828 -0.039 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.915 -0.968 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.517 -2.961 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.470 -2.632 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.682 -2.362 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.021 -0.974 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.868 -2.142 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.522 -0.465 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.470 -1.523 -1.904 1.00 0.00 H new ATOM 1436 N SER A 92 -1.106 -2.755 -5.540 1.00 0.00 N ATOM 1437 CA SER A 92 -1.515 -3.945 -6.271 1.00 0.00 C ATOM 1438 C SER A 92 -0.345 -4.540 -7.052 1.00 0.00 C ATOM 1439 O SER A 92 -0.207 -5.760 -7.149 1.00 0.00 O ATOM 1440 CB SER A 92 -2.699 -3.631 -7.195 1.00 0.00 C ATOM 1441 OG SER A 92 -2.447 -2.503 -8.020 1.00 0.00 O ATOM 0 H SER A 92 -1.582 -1.899 -5.824 1.00 0.00 H new ATOM 0 HA SER A 92 -1.841 -4.693 -5.548 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.910 -4.498 -7.821 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.589 -3.448 -6.593 1.00 0.00 H new ATOM 0 HG SER A 92 -1.509 -2.235 -7.930 1.00 0.00 H new ATOM 1447 N GLU A 93 0.501 -3.667 -7.585 1.00 0.00 N ATOM 1448 CA GLU A 93 1.722 -4.089 -8.267 1.00 0.00 C ATOM 1449 C GLU A 93 2.615 -4.878 -7.318 1.00 0.00 C ATOM 1450 O GLU A 93 3.098 -5.951 -7.662 1.00 0.00 O ATOM 1451 CB GLU A 93 2.489 -2.878 -8.803 1.00 0.00 C ATOM 1452 CG GLU A 93 2.474 -2.753 -10.319 1.00 0.00 C ATOM 1453 CD GLU A 93 3.327 -3.804 -11.007 1.00 0.00 C ATOM 1454 OE1 GLU A 93 4.569 -3.655 -11.026 1.00 0.00 O ATOM 1455 OE2 GLU A 93 2.766 -4.778 -11.545 1.00 0.00 O ATOM 0 H GLU A 93 0.364 -2.657 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 93 1.437 -4.726 -9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.064 -1.972 -8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.523 -2.938 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.447 -2.836 -10.675 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.830 -1.762 -10.600 1.00 0.00 H new ATOM 1462 N LEU A 94 2.817 -4.341 -6.119 1.00 0.00 N ATOM 1463 CA LEU A 94 3.659 -4.986 -5.117 1.00 0.00 C ATOM 1464 C LEU A 94 3.126 -6.370 -4.766 1.00 0.00 C ATOM 1465 O LEU A 94 3.890 -7.329 -4.669 1.00 0.00 O ATOM 1466 CB LEU A 94 3.737 -4.118 -3.854 1.00 0.00 C ATOM 1467 CG LEU A 94 4.642 -4.657 -2.745 1.00 0.00 C ATOM 1468 CD1 LEU A 94 6.089 -4.706 -3.211 1.00 0.00 C ATOM 1469 CD2 LEU A 94 4.512 -3.803 -1.490 1.00 0.00 C ATOM 0 H LEU A 94 2.407 -3.457 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 94 4.659 -5.100 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.088 -3.125 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.731 -3.998 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 94 4.326 -5.672 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.717 -5.092 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.169 -5.359 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.419 -3.702 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.162 -4.200 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.802 -2.777 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.479 -3.820 -1.144 1.00 0.00 H new ATOM 1481 N ILE A 95 1.811 -6.471 -4.596 1.00 0.00 N ATOM 1482 CA ILE A 95 1.179 -7.738 -4.240 1.00 0.00 C ATOM 1483 C ILE A 95 1.401 -8.788 -5.329 1.00 0.00 C ATOM 1484 O ILE A 95 1.825 -9.911 -5.049 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.340 -7.563 -3.994 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.582 -6.568 -2.855 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.995 -8.904 -3.677 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -2.047 -6.258 -2.611 1.00 0.00 C ATOM 0 H ILE A 95 1.162 -5.691 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 95 1.646 -8.079 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.792 -7.170 -4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.148 -6.967 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.057 -5.640 -3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.062 -8.757 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.851 -9.586 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.541 -9.328 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.137 -5.547 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.483 -5.828 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.575 -7.176 -2.355 1.00 0.00 H new ATOM 1500 N VAL A 96 1.128 -8.413 -6.573 1.00 0.00 N ATOM 1501 CA VAL A 96 1.295 -9.325 -7.697 1.00 0.00 C ATOM 1502 C VAL A 96 2.769 -9.642 -7.916 1.00 0.00 C ATOM 1503 O VAL A 96 3.138 -10.793 -8.154 1.00 0.00 O ATOM 1504 CB VAL A 96 0.694 -8.735 -8.995 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.914 -9.670 -10.174 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -0.789 -8.449 -8.817 1.00 0.00 C ATOM 0 H VAL A 96 0.790 -7.485 -6.828 1.00 0.00 H new ATOM 0 HA VAL A 96 0.761 -10.244 -7.454 1.00 0.00 H new ATOM 0 HB VAL A 96 1.207 -7.797 -9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.482 -9.230 -11.073 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.983 -9.823 -10.323 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.435 -10.628 -9.973 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.193 -8.035 -9.741 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.312 -9.375 -8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.927 -7.733 -8.007 1.00 0.00 H new ATOM 1516 N ASN A 97 3.605 -8.616 -7.807 1.00 0.00 N ATOM 1517 CA ASN A 97 5.041 -8.744 -8.036 1.00 0.00 C ATOM 1518 C ASN A 97 5.665 -9.726 -7.049 1.00 0.00 C ATOM 1519 O ASN A 97 6.540 -10.510 -7.412 1.00 0.00 O ATOM 1520 CB ASN A 97 5.703 -7.369 -7.908 1.00 0.00 C ATOM 1521 CG ASN A 97 6.975 -7.235 -8.720 1.00 0.00 C ATOM 1522 OD1 ASN A 97 7.739 -8.186 -8.876 1.00 0.00 O ATOM 1523 ND2 ASN A 97 7.199 -6.047 -9.260 1.00 0.00 N ATOM 0 H ASN A 97 3.308 -7.673 -7.558 1.00 0.00 H new ATOM 0 HA ASN A 97 5.202 -9.132 -9.042 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.996 -6.603 -8.225 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.929 -7.179 -6.859 1.00 0.00 H new ATOM 0 HD21 ASN A 97 8.031 -5.895 -9.830 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.540 -5.284 -9.106 1.00 0.00 H new ATOM 1530 N ALA A 98 5.186 -9.700 -5.809 1.00 0.00 N ATOM 1531 CA ALA A 98 5.694 -10.584 -4.763 1.00 0.00 C ATOM 1532 C ALA A 98 5.470 -12.054 -5.117 1.00 0.00 C ATOM 1533 O ALA A 98 6.302 -12.907 -4.818 1.00 0.00 O ATOM 1534 CB ALA A 98 5.036 -10.259 -3.430 1.00 0.00 C ATOM 0 H ALA A 98 4.442 -9.073 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 98 6.768 -10.418 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.425 -10.926 -2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.254 -9.226 -3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.957 -10.392 -3.515 1.00 0.00 H new ATOM 1540 N ALA A 99 4.348 -12.344 -5.756 1.00 0.00 N ATOM 1541 CA ALA A 99 4.035 -13.711 -6.156 1.00 0.00 C ATOM 1542 C ALA A 99 4.608 -14.025 -7.533 1.00 0.00 C ATOM 1543 O ALA A 99 4.639 -15.180 -7.965 1.00 0.00 O ATOM 1544 CB ALA A 99 2.531 -13.926 -6.146 1.00 0.00 C ATOM 0 H ALA A 99 3.639 -11.655 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 99 4.495 -14.391 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.308 -14.950 -6.446 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.145 -13.750 -5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.060 -13.233 -6.843 1.00 0.00 H new ATOM 1550 N LYS A 100 5.054 -12.985 -8.220 1.00 0.00 N ATOM 1551 CA LYS A 100 5.498 -13.106 -9.603 1.00 0.00 C ATOM 1552 C LYS A 100 7.009 -13.267 -9.705 1.00 0.00 C ATOM 1553 O LYS A 100 7.521 -13.767 -10.708 1.00 0.00 O ATOM 1554 CB LYS A 100 5.059 -11.874 -10.392 1.00 0.00 C ATOM 1555 CG LYS A 100 5.254 -11.985 -11.895 1.00 0.00 C ATOM 1556 CD LYS A 100 4.884 -10.689 -12.589 1.00 0.00 C ATOM 1557 CE LYS A 100 4.998 -10.813 -14.095 1.00 0.00 C ATOM 1558 NZ LYS A 100 6.374 -11.178 -14.525 1.00 0.00 N ATOM 0 H LYS A 100 5.119 -12.040 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 100 5.040 -14.003 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.005 -11.684 -10.188 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.614 -11.009 -10.029 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.292 -12.235 -12.113 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.642 -12.798 -12.285 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.865 -10.410 -12.322 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.535 -9.889 -12.238 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.296 -11.567 -14.450 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.713 -9.869 -14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.450 -11.087 -15.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.060 -10.543 -14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.575 -12.160 -14.248 1.00 0.00 H new ATOM 1572 N LEU A 101 7.717 -12.824 -8.679 1.00 0.00 N ATOM 1573 CA LEU A 101 9.168 -12.803 -8.711 1.00 0.00 C ATOM 1574 C LEU A 101 9.767 -14.206 -8.802 1.00 0.00 C ATOM 1575 O LEU A 101 9.636 -15.033 -7.900 1.00 0.00 O ATOM 1576 CB LEU A 101 9.733 -12.011 -7.519 1.00 0.00 C ATOM 1577 CG LEU A 101 9.143 -12.313 -6.133 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.871 -13.465 -5.452 1.00 0.00 C ATOM 1579 CD2 LEU A 101 9.201 -11.070 -5.262 1.00 0.00 C ATOM 0 H LEU A 101 7.308 -12.474 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 101 9.466 -12.286 -9.623 1.00 0.00 H new ATOM 0 HB2 LEU A 101 10.808 -12.188 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.593 -10.949 -7.722 1.00 0.00 H new ATOM 0 HG LEU A 101 8.104 -12.612 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.426 -13.649 -4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.786 -14.362 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.923 -13.209 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.781 -11.293 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.238 -10.753 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.626 -10.271 -5.730 1.00 0.00 H new