USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 972 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 34 TYR OH : rot 91:sc= 0.589 USER MOD Set 1.2: A 53 HIS : no HE2:sc= 0.093 K(o=0.68,f=-3.1) USER MOD Set 2.1: A 33 GLN : amide:sc= -0.0986 K(o=0.084,f=-3.8!) USER MOD Set 2.2: A 35 TYR OH : rot -64:sc= 0.183 USER MOD Set 3.1: A 10 GLN : amide:sc= -0.155 K(o=-0.12,f=-2.1) USER MOD Set 3.2: A 11 LYS NZ :NH3+ -161:sc= 0.0364 (180deg=0) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0496 (180deg=-0.401) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.103 (180deg=-0.0645) USER MOD Single : A 2 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.78 K(o=-2.8,f=-8.4!) USER MOD Single : A 16 TYR OH : rot 110:sc= -0.309 USER MOD Single : A 17 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.047) USER MOD Single : A 25 MET CE :methyl -155:sc= -1.04 (180deg=-2.57!) USER MOD Single : A 32 CYS SG : rot -176:sc= -2.29! USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.16 K(o=-1.2,f=-4.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc=-0.00174 K(o=-0.0017,f=-4.7!) USER MOD Single : A 79 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-3.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.629 K(o=-0.63,f=-2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 85:sc= 0.332 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -0.164 F(o=-1.8!,f=-0.16) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 168:sc= -0.0278 (180deg=-0.225) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 122 LYS NZ :NH3+ -140:sc= -0.171 (180deg=-1.58!) USER MOD Single : A 123 SER OG : rot 41:sc= 0.163 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.052 1.154 -1.747 1.00 0.00 N ATOM 2 CA MET A 1 1.926 0.275 -0.927 1.00 0.00 C ATOM 3 C MET A 1 1.826 -1.183 -1.416 1.00 0.00 C ATOM 4 O MET A 1 1.205 -1.459 -2.446 1.00 0.00 O ATOM 5 CB MET A 1 1.549 0.395 0.579 1.00 0.00 C ATOM 6 CG MET A 1 1.763 1.791 1.182 1.00 0.00 C ATOM 7 SD MET A 1 1.357 1.886 2.947 1.00 0.00 S ATOM 8 CE MET A 1 2.544 0.751 3.677 1.00 0.00 C ATOM 0 H1 MET A 1 1.625 1.903 -2.184 1.00 0.00 H new ATOM 0 H2 MET A 1 0.593 0.591 -2.491 1.00 0.00 H new ATOM 0 H3 MET A 1 0.325 1.584 -1.140 1.00 0.00 H new ATOM 0 HA MET A 1 2.961 0.596 -1.041 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.502 0.117 0.701 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.138 -0.326 1.146 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.803 2.084 1.040 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.152 2.511 0.637 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.599 0.924 4.752 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.228 -0.275 3.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.526 0.915 3.232 1.00 0.00 H new ATOM 20 N ASN A 2 2.434 -2.119 -0.656 1.00 0.00 N ATOM 21 CA ASN A 2 2.498 -3.555 -1.015 1.00 0.00 C ATOM 22 C ASN A 2 1.193 -4.310 -0.613 1.00 0.00 C ATOM 23 O ASN A 2 1.229 -5.452 -0.144 1.00 0.00 O ATOM 24 CB ASN A 2 3.749 -4.192 -0.335 1.00 0.00 C ATOM 25 CG ASN A 2 5.090 -3.539 -0.721 1.00 0.00 C ATOM 26 OD1 ASN A 2 5.985 -3.395 0.118 1.00 0.00 O ATOM 27 ND2 ASN A 2 5.269 -3.183 -1.989 1.00 0.00 N ATOM 0 H ASN A 2 2.896 -1.901 0.227 1.00 0.00 H new ATOM 0 HA ASN A 2 2.588 -3.644 -2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.629 -4.132 0.747 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.787 -5.250 -0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 2 6.159 -2.782 -2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 2 4.517 -3.311 -2.666 1.00 0.00 H new ATOM 34 N SER A 3 0.033 -3.677 -0.878 1.00 0.00 N ATOM 35 CA SER A 3 -1.290 -4.197 -0.486 1.00 0.00 C ATOM 36 C SER A 3 -1.706 -5.401 -1.356 1.00 0.00 C ATOM 37 O SER A 3 -2.317 -6.350 -0.853 1.00 0.00 O ATOM 38 CB SER A 3 -2.341 -3.062 -0.562 1.00 0.00 C ATOM 39 OG SER A 3 -2.331 -2.430 -1.833 1.00 0.00 O ATOM 0 H SER A 3 -0.012 -2.786 -1.373 1.00 0.00 H new ATOM 0 HA SER A 3 -1.230 -4.554 0.542 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.333 -3.469 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.138 -2.324 0.214 1.00 0.00 H new ATOM 0 HG SER A 3 -3.006 -1.720 -1.850 1.00 0.00 H new ATOM 45 N GLU A 4 -1.327 -5.378 -2.652 1.00 0.00 N ATOM 46 CA GLU A 4 -1.635 -6.480 -3.604 1.00 0.00 C ATOM 47 C GLU A 4 -0.788 -7.742 -3.319 1.00 0.00 C ATOM 48 O GLU A 4 -0.951 -8.769 -3.986 1.00 0.00 O ATOM 49 CB GLU A 4 -1.435 -6.037 -5.086 1.00 0.00 C ATOM 50 CG GLU A 4 0.029 -5.773 -5.519 1.00 0.00 C ATOM 51 CD GLU A 4 0.636 -4.471 -4.960 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.398 -3.389 -5.538 1.00 0.00 O ATOM 53 OE2 GLU A 4 1.360 -4.529 -3.950 1.00 0.00 O ATOM 0 H GLU A 4 -0.805 -4.607 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.686 -6.728 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.853 -6.807 -5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.013 -5.129 -5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.646 -6.613 -5.200 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.072 -5.741 -6.608 1.00 0.00 H new ATOM 60 N ILE A 5 0.147 -7.634 -2.361 1.00 0.00 N ATOM 61 CA ILE A 5 0.978 -8.759 -1.889 1.00 0.00 C ATOM 62 C ILE A 5 0.325 -9.403 -0.644 1.00 0.00 C ATOM 63 O ILE A 5 0.447 -10.608 -0.410 1.00 0.00 O ATOM 64 CB ILE A 5 2.432 -8.265 -1.543 1.00 0.00 C ATOM 65 CG1 ILE A 5 3.002 -7.354 -2.680 1.00 0.00 C ATOM 66 CG2 ILE A 5 3.381 -9.451 -1.252 1.00 0.00 C ATOM 67 CD1 ILE A 5 3.145 -8.021 -4.036 1.00 0.00 C ATOM 0 H ILE A 5 0.351 -6.755 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 5 1.047 -9.502 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 5 2.367 -7.667 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.352 -6.486 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.979 -6.984 -2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.376 -9.072 -1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.001 -10.022 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.436 -10.096 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.548 -7.305 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.822 -8.872 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.169 -8.366 -4.377 1.00 0.00 H new ATOM 79 N GLU A 6 -0.387 -8.572 0.130 1.00 0.00 N ATOM 80 CA GLU A 6 -1.179 -9.015 1.299 1.00 0.00 C ATOM 81 C GLU A 6 -2.452 -9.768 0.870 1.00 0.00 C ATOM 82 O GLU A 6 -2.874 -10.710 1.546 1.00 0.00 O ATOM 83 CB GLU A 6 -1.561 -7.783 2.162 1.00 0.00 C ATOM 84 CG GLU A 6 -0.414 -7.198 3.003 1.00 0.00 C ATOM 85 CD GLU A 6 -0.060 -8.075 4.220 1.00 0.00 C ATOM 86 OE1 GLU A 6 -0.671 -7.872 5.298 1.00 0.00 O ATOM 87 OE2 GLU A 6 0.804 -8.974 4.113 1.00 0.00 O ATOM 0 H GLU A 6 -0.434 -7.566 -0.034 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.567 -9.703 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.944 -7.003 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.375 -8.065 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.469 -7.082 2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.693 -6.202 3.347 1.00 0.00 H new ATOM 94 N LEU A 7 -3.041 -9.345 -0.268 1.00 0.00 N ATOM 95 CA LEU A 7 -4.350 -9.850 -0.748 1.00 0.00 C ATOM 96 C LEU A 7 -4.326 -11.380 -1.043 1.00 0.00 C ATOM 97 O LEU A 7 -5.222 -12.080 -0.559 1.00 0.00 O ATOM 98 CB LEU A 7 -4.853 -9.088 -2.013 1.00 0.00 C ATOM 99 CG LEU A 7 -5.131 -7.569 -1.862 1.00 0.00 C ATOM 100 CD1 LEU A 7 -5.600 -6.953 -3.200 1.00 0.00 C ATOM 101 CD2 LEU A 7 -6.141 -7.292 -0.727 1.00 0.00 C ATOM 0 H LEU A 7 -2.625 -8.644 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.046 -9.665 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.113 -9.219 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.771 -9.567 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.193 -7.086 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.787 -5.888 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.827 -7.092 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.517 -7.444 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.314 -6.219 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.082 -7.796 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.741 -7.666 0.215 1.00 0.00 H new ATOM 113 N PRO A 8 -3.325 -11.933 -1.847 1.00 0.00 N ATOM 114 CA PRO A 8 -3.232 -13.387 -2.098 1.00 0.00 C ATOM 115 C PRO A 8 -3.173 -14.169 -0.785 1.00 0.00 C ATOM 116 O PRO A 8 -4.049 -14.981 -0.505 1.00 0.00 O ATOM 117 CB PRO A 8 -1.925 -13.556 -2.947 1.00 0.00 C ATOM 118 CG PRO A 8 -1.185 -12.268 -2.782 1.00 0.00 C ATOM 119 CD PRO A 8 -2.249 -11.215 -2.584 1.00 0.00 C ATOM 0 HA PRO A 8 -4.104 -13.779 -2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.332 -14.400 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.157 -13.746 -3.995 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.510 -12.310 -1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.575 -12.050 -3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.871 -10.366 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.608 -10.825 -3.536 1.00 0.00 H new ATOM 127 N VAL A 9 -2.176 -13.814 0.032 1.00 0.00 N ATOM 128 CA VAL A 9 -1.854 -14.463 1.312 1.00 0.00 C ATOM 129 C VAL A 9 -3.074 -14.541 2.256 1.00 0.00 C ATOM 130 O VAL A 9 -3.361 -15.592 2.853 1.00 0.00 O ATOM 131 CB VAL A 9 -0.696 -13.653 1.994 1.00 0.00 C ATOM 132 CG1 VAL A 9 -0.351 -14.216 3.387 1.00 0.00 C ATOM 133 CG2 VAL A 9 0.545 -13.604 1.067 1.00 0.00 C ATOM 0 H VAL A 9 -1.548 -13.040 -0.185 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.547 -15.490 1.113 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.041 -12.631 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.455 -13.629 3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.231 -14.163 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.033 -15.254 3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.340 -13.039 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.890 -14.618 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.278 -13.120 0.127 1.00 0.00 H new ATOM 143 N GLN A 10 -3.797 -13.418 2.335 1.00 0.00 N ATOM 144 CA GLN A 10 -4.980 -13.262 3.198 1.00 0.00 C ATOM 145 C GLN A 10 -6.080 -14.249 2.765 1.00 0.00 C ATOM 146 O GLN A 10 -6.580 -15.026 3.587 1.00 0.00 O ATOM 147 CB GLN A 10 -5.462 -11.776 3.146 1.00 0.00 C ATOM 148 CG GLN A 10 -6.610 -11.371 4.121 1.00 0.00 C ATOM 149 CD GLN A 10 -8.025 -11.576 3.562 1.00 0.00 C ATOM 150 OE1 GLN A 10 -8.583 -10.688 2.921 1.00 0.00 O ATOM 151 NE2 GLN A 10 -8.609 -12.738 3.805 1.00 0.00 N ATOM 0 H GLN A 10 -3.577 -12.580 1.796 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.728 -13.496 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.604 -11.134 3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.789 -11.561 2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.509 -11.949 5.040 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.488 -10.322 4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.118 -13.454 4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.551 -12.918 3.457 1.00 0.00 H new ATOM 160 N LYS A 11 -6.403 -14.241 1.459 1.00 0.00 N ATOM 161 CA LYS A 11 -7.486 -15.073 0.887 1.00 0.00 C ATOM 162 C LYS A 11 -7.122 -16.567 0.916 1.00 0.00 C ATOM 163 O LYS A 11 -7.990 -17.412 1.126 1.00 0.00 O ATOM 164 CB LYS A 11 -7.802 -14.639 -0.567 1.00 0.00 C ATOM 165 CG LYS A 11 -8.235 -13.164 -0.724 1.00 0.00 C ATOM 166 CD LYS A 11 -9.448 -12.790 0.156 1.00 0.00 C ATOM 167 CE LYS A 11 -9.895 -11.332 -0.040 1.00 0.00 C ATOM 168 NZ LYS A 11 -10.993 -10.967 0.884 1.00 0.00 N ATOM 0 H LYS A 11 -5.925 -13.661 0.770 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.372 -14.923 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.919 -14.811 -1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.593 -15.279 -0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.396 -12.517 -0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.479 -12.973 -1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.280 -13.455 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.195 -12.951 1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.047 -10.667 0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.222 -11.187 -1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.481 -10.121 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.669 -11.755 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.602 -10.768 1.827 1.00 0.00 H new ATOM 182 N GLN A 12 -5.825 -16.859 0.730 1.00 0.00 N ATOM 183 CA GLN A 12 -5.285 -18.233 0.697 1.00 0.00 C ATOM 184 C GLN A 12 -5.441 -18.920 2.047 1.00 0.00 C ATOM 185 O GLN A 12 -5.786 -20.093 2.097 1.00 0.00 O ATOM 186 CB GLN A 12 -3.790 -18.220 0.323 1.00 0.00 C ATOM 187 CG GLN A 12 -3.493 -17.992 -1.158 1.00 0.00 C ATOM 188 CD GLN A 12 -2.015 -17.758 -1.389 1.00 0.00 C ATOM 189 OE1 GLN A 12 -1.553 -16.628 -1.445 1.00 0.00 O ATOM 190 NE2 GLN A 12 -1.250 -18.825 -1.423 1.00 0.00 N ATOM 0 H GLN A 12 -5.112 -16.142 0.597 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.851 -18.783 -0.055 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.294 -17.440 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.348 -19.170 0.624 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.822 -18.856 -1.735 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.061 -17.134 -1.518 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.668 -19.754 -1.374 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.238 -18.725 -1.498 1.00 0.00 H new ATOM 199 N LEU A 13 -5.138 -18.182 3.134 1.00 0.00 N ATOM 200 CA LEU A 13 -5.272 -18.704 4.502 1.00 0.00 C ATOM 201 C LEU A 13 -6.710 -19.096 4.751 1.00 0.00 C ATOM 202 O LEU A 13 -6.984 -20.222 5.198 1.00 0.00 O ATOM 203 CB LEU A 13 -4.808 -17.662 5.557 1.00 0.00 C ATOM 204 CG LEU A 13 -4.849 -18.092 7.073 1.00 0.00 C ATOM 205 CD1 LEU A 13 -6.247 -18.013 7.738 1.00 0.00 C ATOM 206 CD2 LEU A 13 -4.200 -19.481 7.280 1.00 0.00 C ATOM 0 H LEU A 13 -4.799 -17.221 3.087 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.630 -19.579 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.785 -17.373 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.425 -16.771 5.444 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.253 -17.342 7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.173 -18.328 8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.613 -16.987 7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.939 -18.668 7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.244 -19.749 8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.739 -20.225 6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.160 -19.448 6.957 1.00 0.00 H new ATOM 218 N GLU A 14 -7.616 -18.140 4.468 1.00 0.00 N ATOM 219 CA GLU A 14 -9.051 -18.331 4.671 1.00 0.00 C ATOM 220 C GLU A 14 -9.502 -19.601 3.935 1.00 0.00 C ATOM 221 O GLU A 14 -10.151 -20.470 4.502 1.00 0.00 O ATOM 222 CB GLU A 14 -9.855 -17.114 4.146 1.00 0.00 C ATOM 223 CG GLU A 14 -9.488 -15.768 4.792 1.00 0.00 C ATOM 224 CD GLU A 14 -9.733 -15.726 6.309 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.908 -15.638 6.724 1.00 0.00 O ATOM 226 OE2 GLU A 14 -8.759 -15.780 7.089 1.00 0.00 O ATOM 0 H GLU A 14 -7.369 -17.223 4.095 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.240 -18.430 5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.706 -17.036 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.916 -17.301 4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.437 -15.555 4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.067 -14.976 4.317 1.00 0.00 H new ATOM 233 N ALA A 15 -9.030 -19.699 2.693 1.00 0.00 N ATOM 234 CA ALA A 15 -9.306 -20.795 1.769 1.00 0.00 C ATOM 235 C ALA A 15 -8.649 -22.121 2.211 1.00 0.00 C ATOM 236 O ALA A 15 -9.157 -23.197 1.879 1.00 0.00 O ATOM 237 CB ALA A 15 -8.817 -20.386 0.373 1.00 0.00 C ATOM 0 H ALA A 15 -8.421 -18.988 2.288 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.381 -20.978 1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.015 -21.193 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.343 -19.487 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.746 -20.187 0.406 1.00 0.00 H new ATOM 243 N TYR A 16 -7.527 -22.040 2.966 1.00 0.00 N ATOM 244 CA TYR A 16 -6.740 -23.231 3.351 1.00 0.00 C ATOM 245 C TYR A 16 -7.501 -24.057 4.410 1.00 0.00 C ATOM 246 O TYR A 16 -7.542 -25.290 4.338 1.00 0.00 O ATOM 247 CB TYR A 16 -5.344 -22.797 3.875 1.00 0.00 C ATOM 248 CG TYR A 16 -4.360 -23.952 4.134 1.00 0.00 C ATOM 249 CD1 TYR A 16 -3.764 -24.644 3.074 1.00 0.00 C ATOM 250 CD2 TYR A 16 -4.011 -24.341 5.432 1.00 0.00 C ATOM 251 CE1 TYR A 16 -2.868 -25.673 3.297 1.00 0.00 C ATOM 252 CE2 TYR A 16 -3.117 -25.372 5.657 1.00 0.00 C ATOM 253 CZ TYR A 16 -2.546 -26.032 4.585 1.00 0.00 C ATOM 254 OH TYR A 16 -1.640 -27.055 4.803 1.00 0.00 O ATOM 0 H TYR A 16 -7.149 -21.161 3.319 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.595 -23.863 2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.897 -22.114 3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.478 -22.238 4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.009 -24.368 2.059 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.448 -23.826 6.275 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.422 -26.193 2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.866 -25.661 6.667 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.808 -26.684 5.163 1.00 0.00 H new ATOM 264 N ASN A 17 -8.127 -23.350 5.371 1.00 0.00 N ATOM 265 CA ASN A 17 -8.894 -23.986 6.464 1.00 0.00 C ATOM 266 C ASN A 17 -10.381 -24.164 6.075 1.00 0.00 C ATOM 267 O ASN A 17 -11.035 -25.103 6.540 1.00 0.00 O ATOM 268 CB ASN A 17 -8.750 -23.169 7.775 1.00 0.00 C ATOM 269 CG ASN A 17 -9.353 -21.761 7.721 1.00 0.00 C ATOM 270 OD1 ASN A 17 -10.534 -21.570 8.003 1.00 0.00 O ATOM 271 ND2 ASN A 17 -8.550 -20.767 7.372 1.00 0.00 N ATOM 0 H ASN A 17 -8.117 -22.331 5.413 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.481 -24.980 6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.224 -23.722 8.586 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.691 -23.087 8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.908 -19.813 7.332 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.574 -20.956 7.143 1.00 0.00 H new ATOM 278 N ALA A 18 -10.899 -23.268 5.203 1.00 0.00 N ATOM 279 CA ALA A 18 -12.305 -23.326 4.710 1.00 0.00 C ATOM 280 C ALA A 18 -12.447 -24.279 3.506 1.00 0.00 C ATOM 281 O ALA A 18 -13.553 -24.461 2.979 1.00 0.00 O ATOM 282 CB ALA A 18 -12.815 -21.925 4.342 1.00 0.00 C ATOM 0 H ALA A 18 -10.363 -22.489 4.821 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.916 -23.719 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.843 -21.994 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.779 -21.282 5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.186 -21.503 3.558 1.00 0.00 H new ATOM 288 N ARG A 19 -11.301 -24.850 3.080 1.00 0.00 N ATOM 289 CA ARG A 19 -11.212 -25.922 2.068 1.00 0.00 C ATOM 290 C ARG A 19 -11.603 -25.445 0.646 1.00 0.00 C ATOM 291 O ARG A 19 -11.953 -26.258 -0.220 1.00 0.00 O ATOM 292 CB ARG A 19 -12.013 -27.185 2.508 1.00 0.00 C ATOM 293 CG ARG A 19 -11.664 -27.712 3.923 1.00 0.00 C ATOM 294 CD ARG A 19 -10.176 -28.073 4.098 1.00 0.00 C ATOM 295 NE ARG A 19 -9.899 -28.559 5.467 1.00 0.00 N ATOM 296 CZ ARG A 19 -9.941 -29.848 5.854 1.00 0.00 C ATOM 297 NH1 ARG A 19 -10.231 -30.818 4.993 1.00 0.00 N ATOM 298 NH2 ARG A 19 -9.699 -30.165 7.118 1.00 0.00 N ATOM 0 H ARG A 19 -10.389 -24.571 3.440 1.00 0.00 H new ATOM 0 HA ARG A 19 -10.162 -26.206 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.078 -26.954 2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.836 -27.981 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.935 -26.956 4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -12.270 -28.593 4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.898 -28.839 3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.560 -27.198 3.889 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.657 -27.864 6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.427 -30.592 4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.257 -31.788 5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.482 -29.433 7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.730 -31.141 7.414 1.00 0.00 H new ATOM 312 N ASP A 20 -11.476 -24.131 0.403 1.00 0.00 N ATOM 313 CA ASP A 20 -11.712 -23.530 -0.919 1.00 0.00 C ATOM 314 C ASP A 20 -10.410 -23.559 -1.745 1.00 0.00 C ATOM 315 O ASP A 20 -9.559 -22.685 -1.605 1.00 0.00 O ATOM 316 CB ASP A 20 -12.227 -22.066 -0.778 1.00 0.00 C ATOM 317 CG ASP A 20 -13.590 -21.962 -0.078 1.00 0.00 C ATOM 318 OD1 ASP A 20 -14.632 -22.201 -0.733 1.00 0.00 O ATOM 319 OD2 ASP A 20 -13.632 -21.637 1.126 1.00 0.00 O ATOM 0 H ASP A 20 -11.207 -23.455 1.118 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.477 -24.111 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.495 -21.484 -0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.301 -21.618 -1.769 1.00 0.00 H new ATOM 324 N ILE A 21 -10.249 -24.587 -2.593 1.00 0.00 N ATOM 325 CA ILE A 21 -9.111 -24.676 -3.534 1.00 0.00 C ATOM 326 C ILE A 21 -9.181 -23.554 -4.591 1.00 0.00 C ATOM 327 O ILE A 21 -8.145 -23.091 -5.066 1.00 0.00 O ATOM 328 CB ILE A 21 -9.042 -26.114 -4.203 1.00 0.00 C ATOM 329 CG1 ILE A 21 -8.480 -27.159 -3.191 1.00 0.00 C ATOM 330 CG2 ILE A 21 -8.216 -26.139 -5.518 1.00 0.00 C ATOM 331 CD1 ILE A 21 -7.005 -26.964 -2.860 1.00 0.00 C ATOM 0 H ILE A 21 -10.895 -25.375 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.188 -24.534 -2.971 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.064 -26.379 -4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.060 -27.106 -2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.622 -28.159 -3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.208 -27.151 -5.924 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.666 -25.461 -6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.193 -25.823 -5.311 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.687 -27.728 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.413 -27.047 -3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.858 -25.977 -2.421 1.00 0.00 H new ATOM 343 N ASP A 22 -10.409 -23.091 -4.902 1.00 0.00 N ATOM 344 CA ASP A 22 -10.646 -22.044 -5.920 1.00 0.00 C ATOM 345 C ASP A 22 -9.885 -20.742 -5.587 1.00 0.00 C ATOM 346 O ASP A 22 -9.172 -20.208 -6.435 1.00 0.00 O ATOM 347 CB ASP A 22 -12.167 -21.769 -6.034 1.00 0.00 C ATOM 348 CG ASP A 22 -12.532 -20.730 -7.117 1.00 0.00 C ATOM 349 OD1 ASP A 22 -12.617 -21.105 -8.305 1.00 0.00 O ATOM 350 OD2 ASP A 22 -12.731 -19.539 -6.785 1.00 0.00 O ATOM 0 H ASP A 22 -11.262 -23.430 -4.457 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.268 -22.404 -6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.681 -22.705 -6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.537 -21.421 -5.070 1.00 0.00 H new ATOM 355 N ALA A 23 -9.996 -20.279 -4.329 1.00 0.00 N ATOM 356 CA ALA A 23 -9.309 -19.046 -3.860 1.00 0.00 C ATOM 357 C ALA A 23 -7.840 -19.336 -3.516 1.00 0.00 C ATOM 358 O ALA A 23 -6.968 -18.475 -3.686 1.00 0.00 O ATOM 359 CB ALA A 23 -10.053 -18.446 -2.655 1.00 0.00 C ATOM 0 H ALA A 23 -10.556 -20.738 -3.610 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.321 -18.314 -4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.539 -17.544 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.073 -18.196 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.074 -19.172 -1.842 1.00 0.00 H new ATOM 365 N PHE A 24 -7.577 -20.574 -3.062 1.00 0.00 N ATOM 366 CA PHE A 24 -6.214 -21.054 -2.765 1.00 0.00 C ATOM 367 C PHE A 24 -5.417 -21.307 -4.077 1.00 0.00 C ATOM 368 O PHE A 24 -4.235 -21.633 -4.030 1.00 0.00 O ATOM 369 CB PHE A 24 -6.278 -22.329 -1.874 1.00 0.00 C ATOM 370 CG PHE A 24 -4.940 -22.714 -1.235 1.00 0.00 C ATOM 371 CD1 PHE A 24 -4.354 -21.888 -0.278 1.00 0.00 C ATOM 372 CD2 PHE A 24 -4.255 -23.872 -1.606 1.00 0.00 C ATOM 373 CE1 PHE A 24 -3.134 -22.202 0.288 1.00 0.00 C ATOM 374 CE2 PHE A 24 -3.031 -24.181 -1.041 1.00 0.00 C ATOM 375 CZ PHE A 24 -2.471 -23.349 -0.094 1.00 0.00 C ATOM 0 H PHE A 24 -8.302 -21.270 -2.890 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.681 -20.282 -2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.013 -22.171 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.633 -23.164 -2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.863 -20.986 0.027 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.686 -24.534 -2.343 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.699 -21.549 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.511 -25.078 -1.343 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.516 -23.595 0.347 1.00 0.00 H new ATOM 385 N MET A 25 -6.098 -21.216 -5.241 1.00 0.00 N ATOM 386 CA MET A 25 -5.453 -21.313 -6.575 1.00 0.00 C ATOM 387 C MET A 25 -5.524 -19.982 -7.360 1.00 0.00 C ATOM 388 O MET A 25 -4.627 -19.685 -8.162 1.00 0.00 O ATOM 389 CB MET A 25 -6.114 -22.451 -7.407 1.00 0.00 C ATOM 390 CG MET A 25 -5.487 -22.721 -8.799 1.00 0.00 C ATOM 391 SD MET A 25 -4.103 -23.899 -8.790 1.00 0.00 S ATOM 392 CE MET A 25 -2.842 -23.171 -7.733 1.00 0.00 C ATOM 0 H MET A 25 -7.107 -21.074 -5.285 1.00 0.00 H new ATOM 0 HA MET A 25 -4.400 -21.540 -6.408 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.072 -23.372 -6.826 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.168 -22.209 -7.545 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.263 -23.097 -9.466 1.00 0.00 H new ATOM 0 HG3 MET A 25 -5.140 -21.776 -9.216 1.00 0.00 H new ATOM 0 HE1 MET A 25 -1.863 -23.558 -8.015 1.00 0.00 H new ATOM 0 HE2 MET A 25 -2.851 -22.087 -7.850 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.047 -23.426 -6.693 1.00 0.00 H new ATOM 402 N ALA A 26 -6.582 -19.185 -7.108 1.00 0.00 N ATOM 403 CA ALA A 26 -6.926 -17.981 -7.916 1.00 0.00 C ATOM 404 C ALA A 26 -5.793 -16.939 -7.964 1.00 0.00 C ATOM 405 O ALA A 26 -5.585 -16.275 -8.985 1.00 0.00 O ATOM 406 CB ALA A 26 -8.205 -17.323 -7.363 1.00 0.00 C ATOM 0 H ALA A 26 -7.229 -19.353 -6.337 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.086 -18.328 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.449 -16.444 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.030 -18.034 -7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.042 -17.025 -6.327 1.00 0.00 H new ATOM 412 N TRP A 27 -5.064 -16.824 -6.851 1.00 0.00 N ATOM 413 CA TRP A 27 -4.037 -15.791 -6.651 1.00 0.00 C ATOM 414 C TRP A 27 -2.625 -16.268 -7.035 1.00 0.00 C ATOM 415 O TRP A 27 -1.645 -15.566 -6.783 1.00 0.00 O ATOM 416 CB TRP A 27 -4.065 -15.364 -5.176 1.00 0.00 C ATOM 417 CG TRP A 27 -5.343 -14.671 -4.751 1.00 0.00 C ATOM 418 CD1 TRP A 27 -6.444 -15.237 -4.177 1.00 0.00 C ATOM 419 CD2 TRP A 27 -5.625 -13.265 -4.856 1.00 0.00 C ATOM 420 NE1 TRP A 27 -7.382 -14.278 -3.919 1.00 0.00 N ATOM 421 CE2 TRP A 27 -6.907 -13.059 -4.328 1.00 0.00 C ATOM 422 CE3 TRP A 27 -4.909 -12.163 -5.346 1.00 0.00 C ATOM 423 CZ2 TRP A 27 -7.498 -11.798 -4.269 1.00 0.00 C ATOM 424 CZ3 TRP A 27 -5.493 -10.910 -5.288 1.00 0.00 C ATOM 425 CH2 TRP A 27 -6.777 -10.738 -4.748 1.00 0.00 C ATOM 0 H TRP A 27 -5.169 -17.451 -6.053 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.266 -14.952 -7.308 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.919 -16.246 -4.552 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.224 -14.697 -4.987 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -6.557 -16.289 -3.959 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.292 -14.443 -3.490 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.920 -12.290 -5.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -8.488 -11.662 -3.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.954 -10.053 -5.663 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -7.205 -9.747 -4.710 1.00 0.00 H new ATOM 436 N TRP A 28 -2.528 -17.453 -7.645 1.00 0.00 N ATOM 437 CA TRP A 28 -1.248 -18.057 -8.059 1.00 0.00 C ATOM 438 C TRP A 28 -1.069 -17.883 -9.575 1.00 0.00 C ATOM 439 O TRP A 28 -2.046 -17.660 -10.302 1.00 0.00 O ATOM 440 CB TRP A 28 -1.220 -19.560 -7.666 1.00 0.00 C ATOM 441 CG TRP A 28 -1.343 -19.835 -6.169 1.00 0.00 C ATOM 442 CD1 TRP A 28 -2.382 -19.494 -5.336 1.00 0.00 C ATOM 443 CD2 TRP A 28 -0.400 -20.538 -5.342 1.00 0.00 C ATOM 444 NE1 TRP A 28 -2.125 -19.934 -4.065 1.00 0.00 N ATOM 445 CE2 TRP A 28 -0.923 -20.581 -4.045 1.00 0.00 C ATOM 446 CE3 TRP A 28 0.835 -21.129 -5.579 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -0.248 -21.196 -2.986 1.00 0.00 C ATOM 448 CZ3 TRP A 28 1.502 -21.739 -4.534 1.00 0.00 C ATOM 449 CH2 TRP A 28 0.957 -21.772 -3.249 1.00 0.00 C ATOM 0 H TRP A 28 -3.340 -18.029 -7.869 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.424 -17.558 -7.550 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.033 -20.071 -8.183 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.289 -19.997 -8.026 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.270 -18.958 -5.639 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.736 -19.799 -3.259 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.268 -21.112 -6.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.669 -21.213 -1.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.462 -22.199 -4.714 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.499 -22.261 -2.453 1.00 0.00 H new ATOM 460 N ALA A 29 0.187 -17.967 -10.043 1.00 0.00 N ATOM 461 CA ALA A 29 0.521 -17.873 -11.479 1.00 0.00 C ATOM 462 C ALA A 29 0.418 -19.255 -12.145 1.00 0.00 C ATOM 463 O ALA A 29 0.441 -20.280 -11.461 1.00 0.00 O ATOM 464 CB ALA A 29 1.931 -17.281 -11.669 1.00 0.00 C ATOM 0 H ALA A 29 0.999 -18.102 -9.441 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.196 -17.206 -11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.159 -17.219 -12.733 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.969 -16.283 -11.231 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.664 -17.921 -11.177 1.00 0.00 H new ATOM 470 N ASP A 30 0.330 -19.272 -13.482 1.00 0.00 N ATOM 471 CA ASP A 30 0.209 -20.521 -14.270 1.00 0.00 C ATOM 472 C ASP A 30 1.511 -21.351 -14.212 1.00 0.00 C ATOM 473 O ASP A 30 1.470 -22.582 -14.204 1.00 0.00 O ATOM 474 CB ASP A 30 -0.159 -20.181 -15.737 1.00 0.00 C ATOM 475 CG ASP A 30 -0.266 -21.411 -16.663 1.00 0.00 C ATOM 476 OD1 ASP A 30 -1.185 -22.237 -16.474 1.00 0.00 O ATOM 477 OD2 ASP A 30 0.567 -21.550 -17.586 1.00 0.00 O ATOM 0 H ASP A 30 0.340 -18.427 -14.053 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.585 -21.128 -13.834 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.110 -19.649 -15.747 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.591 -19.501 -16.140 1.00 0.00 H new ATOM 482 N ASP A 31 2.655 -20.649 -14.155 1.00 0.00 N ATOM 483 CA ASP A 31 3.997 -21.272 -14.091 1.00 0.00 C ATOM 484 C ASP A 31 4.507 -21.319 -12.623 1.00 0.00 C ATOM 485 O ASP A 31 5.697 -21.557 -12.376 1.00 0.00 O ATOM 486 CB ASP A 31 4.957 -20.456 -15.010 1.00 0.00 C ATOM 487 CG ASP A 31 6.341 -21.111 -15.228 1.00 0.00 C ATOM 488 OD1 ASP A 31 6.447 -22.039 -16.058 1.00 0.00 O ATOM 489 OD2 ASP A 31 7.330 -20.694 -14.581 1.00 0.00 O ATOM 0 H ASP A 31 2.680 -19.629 -14.152 1.00 0.00 H new ATOM 0 HA ASP A 31 3.955 -22.303 -14.443 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.479 -20.314 -15.979 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.101 -19.466 -14.577 1.00 0.00 H new ATOM 494 N CYS A 32 3.583 -21.122 -11.648 1.00 0.00 N ATOM 495 CA CYS A 32 3.949 -20.999 -10.224 1.00 0.00 C ATOM 496 C CYS A 32 4.662 -22.258 -9.709 1.00 0.00 C ATOM 497 O CYS A 32 4.102 -23.352 -9.713 1.00 0.00 O ATOM 498 CB CYS A 32 2.730 -20.705 -9.333 1.00 0.00 C ATOM 499 SG CYS A 32 3.171 -20.420 -7.604 1.00 0.00 S ATOM 0 H CYS A 32 2.582 -21.046 -11.828 1.00 0.00 H new ATOM 0 HA CYS A 32 4.634 -20.153 -10.164 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.208 -19.829 -9.718 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.034 -21.542 -9.391 1.00 0.00 H new ATOM 0 HG CYS A 32 2.090 -20.253 -6.902 1.00 0.00 H new ATOM 505 N GLN A 33 5.916 -22.078 -9.292 1.00 0.00 N ATOM 506 CA GLN A 33 6.741 -23.145 -8.723 1.00 0.00 C ATOM 507 C GLN A 33 6.431 -23.297 -7.227 1.00 0.00 C ATOM 508 O GLN A 33 5.978 -22.346 -6.581 1.00 0.00 O ATOM 509 CB GLN A 33 8.227 -22.817 -8.964 1.00 0.00 C ATOM 510 CG GLN A 33 8.628 -22.768 -10.458 1.00 0.00 C ATOM 511 CD GLN A 33 8.902 -24.144 -11.067 1.00 0.00 C ATOM 512 OE1 GLN A 33 9.371 -25.056 -10.384 1.00 0.00 O ATOM 513 NE2 GLN A 33 8.607 -24.309 -12.349 1.00 0.00 N ATOM 0 H GLN A 33 6.393 -21.178 -9.340 1.00 0.00 H new ATOM 0 HA GLN A 33 6.517 -24.095 -9.207 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.455 -21.855 -8.506 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.840 -23.564 -8.459 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.832 -22.283 -11.023 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.519 -22.149 -10.566 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.220 -23.534 -12.887 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.767 -25.211 -12.797 1.00 0.00 H new ATOM 522 N TYR A 34 6.666 -24.500 -6.699 1.00 0.00 N ATOM 523 CA TYR A 34 6.346 -24.852 -5.311 1.00 0.00 C ATOM 524 C TYR A 34 7.428 -25.811 -4.797 1.00 0.00 C ATOM 525 O TYR A 34 7.544 -26.949 -5.281 1.00 0.00 O ATOM 526 CB TYR A 34 4.930 -25.490 -5.254 1.00 0.00 C ATOM 527 CG TYR A 34 4.345 -25.704 -3.843 1.00 0.00 C ATOM 528 CD1 TYR A 34 3.767 -24.646 -3.132 1.00 0.00 C ATOM 529 CD2 TYR A 34 4.337 -26.970 -3.240 1.00 0.00 C ATOM 530 CE1 TYR A 34 3.209 -24.841 -1.879 1.00 0.00 C ATOM 531 CE2 TYR A 34 3.785 -27.165 -1.985 1.00 0.00 C ATOM 532 CZ TYR A 34 3.221 -26.101 -1.312 1.00 0.00 C ATOM 533 OH TYR A 34 2.651 -26.303 -0.066 1.00 0.00 O ATOM 0 H TYR A 34 7.087 -25.265 -7.226 1.00 0.00 H new ATOM 0 HA TYR A 34 6.333 -23.968 -4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.245 -24.858 -5.819 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.966 -26.454 -5.762 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.756 -23.658 -3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.770 -27.809 -3.764 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.766 -24.012 -1.348 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.796 -28.147 -1.535 1.00 0.00 H new ATOM 0 HH TYR A 34 1.708 -26.546 -0.173 1.00 0.00 H new ATOM 543 N TYR A 35 8.240 -25.321 -3.842 1.00 0.00 N ATOM 544 CA TYR A 35 9.369 -26.066 -3.260 1.00 0.00 C ATOM 545 C TYR A 35 9.160 -26.279 -1.757 1.00 0.00 C ATOM 546 O TYR A 35 8.572 -25.444 -1.059 1.00 0.00 O ATOM 547 CB TYR A 35 10.706 -25.316 -3.479 1.00 0.00 C ATOM 548 CG TYR A 35 11.098 -25.111 -4.951 1.00 0.00 C ATOM 549 CD1 TYR A 35 10.579 -24.054 -5.701 1.00 0.00 C ATOM 550 CD2 TYR A 35 11.980 -25.981 -5.591 1.00 0.00 C ATOM 551 CE1 TYR A 35 10.926 -23.882 -7.024 1.00 0.00 C ATOM 552 CE2 TYR A 35 12.323 -25.812 -6.914 1.00 0.00 C ATOM 553 CZ TYR A 35 11.792 -24.762 -7.628 1.00 0.00 C ATOM 554 OH TYR A 35 12.125 -24.600 -8.954 1.00 0.00 O ATOM 0 H TYR A 35 8.128 -24.386 -3.449 1.00 0.00 H new ATOM 0 HA TYR A 35 9.414 -27.032 -3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.643 -24.341 -2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 35 11.502 -25.868 -2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.894 -23.360 -5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 35 12.404 -26.806 -5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.517 -23.055 -7.586 1.00 0.00 H new ATOM 0 HE2 TYR A 35 13.006 -26.501 -7.389 1.00 0.00 H new ATOM 0 HH TYR A 35 11.327 -24.723 -9.509 1.00 0.00 H new ATOM 564 N ALA A 36 9.653 -27.425 -1.296 1.00 0.00 N ATOM 565 CA ALA A 36 9.764 -27.765 0.121 1.00 0.00 C ATOM 566 C ALA A 36 11.184 -27.419 0.587 1.00 0.00 C ATOM 567 O ALA A 36 12.093 -27.327 -0.235 1.00 0.00 O ATOM 568 CB ALA A 36 9.450 -29.258 0.310 1.00 0.00 C ATOM 0 H ALA A 36 9.995 -28.162 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 36 9.051 -27.199 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.532 -29.516 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.437 -29.464 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.158 -29.854 -0.265 1.00 0.00 H new ATOM 574 N PHE A 37 11.351 -27.214 1.895 1.00 0.00 N ATOM 575 CA PHE A 37 12.652 -26.867 2.512 1.00 0.00 C ATOM 576 C PHE A 37 13.765 -27.912 2.174 1.00 0.00 C ATOM 577 O PHE A 37 13.526 -29.117 2.307 1.00 0.00 O ATOM 578 CB PHE A 37 12.481 -26.709 4.050 1.00 0.00 C ATOM 579 CG PHE A 37 11.842 -27.902 4.772 1.00 0.00 C ATOM 580 CD1 PHE A 37 10.454 -28.058 4.807 1.00 0.00 C ATOM 581 CD2 PHE A 37 12.624 -28.858 5.417 1.00 0.00 C ATOM 582 CE1 PHE A 37 9.875 -29.128 5.455 1.00 0.00 C ATOM 583 CE2 PHE A 37 12.041 -29.931 6.070 1.00 0.00 C ATOM 584 CZ PHE A 37 10.667 -30.064 6.088 1.00 0.00 C ATOM 0 H PHE A 37 10.588 -27.282 2.568 1.00 0.00 H new ATOM 0 HA PHE A 37 12.980 -25.917 2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.461 -26.524 4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 37 11.874 -25.824 4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.825 -27.329 4.319 1.00 0.00 H new ATOM 0 HD2 PHE A 37 13.700 -28.761 5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 37 8.800 -29.234 5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.661 -30.664 6.565 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.212 -30.901 6.597 1.00 0.00 H new ATOM 594 N PRO A 38 14.992 -27.484 1.695 1.00 0.00 N ATOM 595 CA PRO A 38 15.334 -26.067 1.381 1.00 0.00 C ATOM 596 C PRO A 38 14.728 -25.577 0.034 1.00 0.00 C ATOM 597 O PRO A 38 14.183 -24.469 -0.041 1.00 0.00 O ATOM 598 CB PRO A 38 16.884 -26.087 1.331 1.00 0.00 C ATOM 599 CG PRO A 38 17.228 -27.475 0.871 1.00 0.00 C ATOM 600 CD PRO A 38 16.165 -28.383 1.473 1.00 0.00 C ATOM 0 HA PRO A 38 14.927 -25.373 2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.269 -25.334 0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 38 17.315 -25.875 2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.227 -27.539 -0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 38 18.224 -27.763 1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.915 -29.203 0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.506 -28.829 2.407 1.00 0.00 H new ATOM 608 N ALA A 39 14.795 -26.440 -1.001 1.00 0.00 N ATOM 609 CA ALA A 39 14.340 -26.117 -2.367 1.00 0.00 C ATOM 610 C ALA A 39 14.187 -27.419 -3.184 1.00 0.00 C ATOM 611 O ALA A 39 14.935 -27.665 -4.132 1.00 0.00 O ATOM 612 CB ALA A 39 15.296 -25.106 -3.052 1.00 0.00 C ATOM 0 H ALA A 39 15.168 -27.385 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 39 13.365 -25.633 -2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.935 -24.887 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.329 -24.185 -2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 39 16.297 -25.534 -3.111 1.00 0.00 H new ATOM 618 N THR A 40 13.234 -28.270 -2.765 1.00 0.00 N ATOM 619 CA THR A 40 12.896 -29.535 -3.453 1.00 0.00 C ATOM 620 C THR A 40 11.554 -29.373 -4.199 1.00 0.00 C ATOM 621 O THR A 40 10.521 -29.126 -3.571 1.00 0.00 O ATOM 622 CB THR A 40 12.806 -30.711 -2.426 1.00 0.00 C ATOM 623 OG1 THR A 40 13.997 -30.725 -1.609 1.00 0.00 O ATOM 624 CG2 THR A 40 12.640 -32.080 -3.127 1.00 0.00 C ATOM 0 H THR A 40 12.670 -28.100 -1.932 1.00 0.00 H new ATOM 0 HA THR A 40 13.682 -29.769 -4.171 1.00 0.00 H new ATOM 0 HB THR A 40 11.924 -30.549 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.942 -31.460 -0.963 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.582 -32.868 -2.377 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.726 -32.076 -3.721 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.495 -32.261 -3.778 1.00 0.00 H new ATOM 632 N LEU A 41 11.590 -29.520 -5.532 1.00 0.00 N ATOM 633 CA LEU A 41 10.460 -29.186 -6.424 1.00 0.00 C ATOM 634 C LEU A 41 9.333 -30.242 -6.310 1.00 0.00 C ATOM 635 O LEU A 41 9.512 -31.387 -6.741 1.00 0.00 O ATOM 636 CB LEU A 41 10.982 -29.077 -7.904 1.00 0.00 C ATOM 637 CG LEU A 41 10.279 -28.030 -8.840 1.00 0.00 C ATOM 638 CD1 LEU A 41 10.871 -28.050 -10.263 1.00 0.00 C ATOM 639 CD2 LEU A 41 8.757 -28.202 -8.892 1.00 0.00 C ATOM 0 H LEU A 41 12.407 -29.876 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 41 10.038 -28.227 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.045 -28.839 -7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.890 -30.059 -8.367 1.00 0.00 H new ATOM 0 HG LEU A 41 10.478 -27.055 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.359 -27.312 -10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.934 -27.811 -10.218 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.740 -29.041 -10.698 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.328 -27.450 -9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.516 -29.196 -9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.343 -28.082 -7.891 1.00 0.00 H new ATOM 651 N LEU A 42 8.176 -29.855 -5.728 1.00 0.00 N ATOM 652 CA LEU A 42 6.964 -30.706 -5.743 1.00 0.00 C ATOM 653 C LEU A 42 6.152 -30.405 -7.016 1.00 0.00 C ATOM 654 O LEU A 42 5.824 -31.310 -7.790 1.00 0.00 O ATOM 655 CB LEU A 42 6.032 -30.478 -4.505 1.00 0.00 C ATOM 656 CG LEU A 42 6.664 -30.544 -3.077 1.00 0.00 C ATOM 657 CD1 LEU A 42 7.687 -31.685 -2.933 1.00 0.00 C ATOM 658 CD2 LEU A 42 7.248 -29.188 -2.662 1.00 0.00 C ATOM 0 H LEU A 42 8.056 -28.965 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 42 7.307 -31.740 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.565 -29.499 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.234 -31.219 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 42 5.856 -30.777 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.094 -31.683 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.197 -32.639 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.496 -31.541 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.680 -29.268 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.023 -28.893 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.457 -28.438 -2.656 1.00 0.00 H new ATOM 670 N ALA A 43 5.880 -29.108 -7.238 1.00 0.00 N ATOM 671 CA ALA A 43 4.906 -28.644 -8.254 1.00 0.00 C ATOM 672 C ALA A 43 5.451 -27.431 -9.038 1.00 0.00 C ATOM 673 O ALA A 43 5.693 -26.381 -8.454 1.00 0.00 O ATOM 674 CB ALA A 43 3.593 -28.304 -7.545 1.00 0.00 C ATOM 0 H ALA A 43 6.325 -28.349 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 43 4.733 -29.435 -8.984 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.863 -27.960 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.211 -29.192 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.769 -27.518 -6.811 1.00 0.00 H new ATOM 680 N GLY A 44 5.649 -27.604 -10.363 1.00 0.00 N ATOM 681 CA GLY A 44 6.299 -26.595 -11.226 1.00 0.00 C ATOM 682 C GLY A 44 5.333 -25.738 -12.037 1.00 0.00 C ATOM 683 O GLY A 44 5.729 -25.138 -13.049 1.00 0.00 O ATOM 0 H GLY A 44 5.363 -28.446 -10.863 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.909 -25.941 -10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.976 -27.104 -11.912 1.00 0.00 H new ATOM 687 N ASN A 45 4.089 -25.662 -11.555 1.00 0.00 N ATOM 688 CA ASN A 45 2.965 -24.942 -12.199 1.00 0.00 C ATOM 689 C ASN A 45 1.713 -25.045 -11.310 1.00 0.00 C ATOM 690 O ASN A 45 1.637 -25.930 -10.441 1.00 0.00 O ATOM 691 CB ASN A 45 2.649 -25.467 -13.628 1.00 0.00 C ATOM 692 CG ASN A 45 2.216 -26.925 -13.665 1.00 0.00 C ATOM 693 OD1 ASN A 45 1.043 -27.241 -13.509 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.161 -27.824 -13.885 1.00 0.00 N ATOM 0 H ASN A 45 3.819 -26.111 -10.680 1.00 0.00 H new ATOM 0 HA ASN A 45 3.267 -23.900 -12.308 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.862 -24.853 -14.065 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.533 -25.344 -14.254 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.922 -28.815 -13.929 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.129 -27.527 -14.011 1.00 0.00 H new ATOM 701 N ALA A 46 0.723 -24.169 -11.582 1.00 0.00 N ATOM 702 CA ALA A 46 -0.512 -24.037 -10.771 1.00 0.00 C ATOM 703 C ALA A 46 -1.327 -25.346 -10.710 1.00 0.00 C ATOM 704 O ALA A 46 -1.890 -25.673 -9.665 1.00 0.00 O ATOM 705 CB ALA A 46 -1.389 -22.894 -11.316 1.00 0.00 C ATOM 0 H ALA A 46 0.756 -23.528 -12.375 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.199 -23.806 -9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.292 -22.808 -10.712 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.834 -21.957 -11.273 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.663 -23.107 -12.349 1.00 0.00 H new ATOM 711 N ALA A 47 -1.355 -26.099 -11.827 1.00 0.00 N ATOM 712 CA ALA A 47 -2.166 -27.334 -11.949 1.00 0.00 C ATOM 713 C ALA A 47 -1.746 -28.396 -10.922 1.00 0.00 C ATOM 714 O ALA A 47 -2.597 -29.012 -10.276 1.00 0.00 O ATOM 715 CB ALA A 47 -2.058 -27.910 -13.363 1.00 0.00 C ATOM 0 H ALA A 47 -0.821 -25.874 -12.667 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.202 -27.061 -11.748 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.660 -28.816 -13.434 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.420 -27.177 -14.083 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.017 -28.148 -13.580 1.00 0.00 H new ATOM 721 N GLU A 48 -0.421 -28.578 -10.773 1.00 0.00 N ATOM 722 CA GLU A 48 0.158 -29.585 -9.860 1.00 0.00 C ATOM 723 C GLU A 48 -0.009 -29.142 -8.392 1.00 0.00 C ATOM 724 O GLU A 48 -0.249 -29.971 -7.509 1.00 0.00 O ATOM 725 CB GLU A 48 1.648 -29.828 -10.189 1.00 0.00 C ATOM 726 CG GLU A 48 1.931 -30.165 -11.662 1.00 0.00 C ATOM 727 CD GLU A 48 3.392 -30.582 -11.903 1.00 0.00 C ATOM 728 OE1 GLU A 48 4.272 -29.699 -11.982 1.00 0.00 O ATOM 729 OE2 GLU A 48 3.673 -31.792 -12.003 1.00 0.00 O ATOM 0 H GLU A 48 0.278 -28.034 -11.279 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.379 -30.523 -10.000 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.216 -28.938 -9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.016 -30.643 -9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.270 -30.971 -11.980 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.698 -29.298 -12.281 1.00 0.00 H new ATOM 736 N ILE A 49 0.106 -27.818 -8.158 1.00 0.00 N ATOM 737 CA ILE A 49 -0.139 -27.202 -6.831 1.00 0.00 C ATOM 738 C ILE A 49 -1.598 -27.448 -6.396 1.00 0.00 C ATOM 739 O ILE A 49 -1.863 -27.808 -5.243 1.00 0.00 O ATOM 740 CB ILE A 49 0.150 -25.647 -6.868 1.00 0.00 C ATOM 741 CG1 ILE A 49 1.635 -25.379 -7.246 1.00 0.00 C ATOM 742 CG2 ILE A 49 -0.208 -24.953 -5.527 1.00 0.00 C ATOM 743 CD1 ILE A 49 2.000 -23.922 -7.446 1.00 0.00 C ATOM 0 H ILE A 49 0.370 -27.146 -8.878 1.00 0.00 H new ATOM 0 HA ILE A 49 0.538 -27.664 -6.112 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.494 -25.215 -7.634 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.272 -25.792 -6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.863 -25.923 -8.163 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.007 -23.887 -5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.268 -25.095 -5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.385 -25.388 -4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.056 -23.844 -7.706 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.396 -23.503 -8.251 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.811 -23.370 -6.525 1.00 0.00 H new ATOM 755 N ARG A 50 -2.514 -27.285 -7.364 1.00 0.00 N ATOM 756 CA ARG A 50 -3.962 -27.385 -7.150 1.00 0.00 C ATOM 757 C ARG A 50 -4.340 -28.792 -6.686 1.00 0.00 C ATOM 758 O ARG A 50 -4.822 -28.964 -5.572 1.00 0.00 O ATOM 759 CB ARG A 50 -4.683 -27.073 -8.489 1.00 0.00 C ATOM 760 CG ARG A 50 -6.226 -27.036 -8.428 1.00 0.00 C ATOM 761 CD ARG A 50 -6.851 -26.818 -9.816 1.00 0.00 C ATOM 762 NE ARG A 50 -8.324 -26.697 -9.768 1.00 0.00 N ATOM 763 CZ ARG A 50 -9.122 -26.594 -10.848 1.00 0.00 C ATOM 764 NH1 ARG A 50 -8.615 -26.618 -12.078 1.00 0.00 N ATOM 765 NH2 ARG A 50 -10.431 -26.471 -10.684 1.00 0.00 N ATOM 0 H ARG A 50 -2.263 -27.077 -8.331 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.263 -26.674 -6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.329 -26.109 -8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.385 -27.821 -9.223 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.595 -27.971 -8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.544 -26.237 -7.758 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.431 -25.916 -10.261 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.580 -27.650 -10.466 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.768 -26.691 -8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.609 -26.716 -12.213 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.233 -26.539 -12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.828 -26.455 -9.745 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.042 -26.392 -11.497 1.00 0.00 H new ATOM 779 N VAL A 51 -3.991 -29.786 -7.521 1.00 0.00 N ATOM 780 CA VAL A 51 -4.433 -31.185 -7.349 1.00 0.00 C ATOM 781 C VAL A 51 -3.786 -31.871 -6.136 1.00 0.00 C ATOM 782 O VAL A 51 -4.434 -32.679 -5.465 1.00 0.00 O ATOM 783 CB VAL A 51 -4.195 -32.031 -8.652 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.109 -31.538 -9.806 1.00 0.00 C ATOM 785 CG2 VAL A 51 -2.708 -32.006 -9.084 1.00 0.00 C ATOM 0 H VAL A 51 -3.394 -29.644 -8.336 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.505 -31.139 -7.157 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.456 -33.064 -8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.926 -32.139 -10.697 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.153 -31.636 -9.510 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.890 -30.492 -10.022 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.582 -32.602 -9.988 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.404 -30.978 -9.281 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.091 -32.421 -8.287 1.00 0.00 H new ATOM 795 N ARG A 52 -2.515 -31.531 -5.849 1.00 0.00 N ATOM 796 CA ARG A 52 -1.793 -32.065 -4.677 1.00 0.00 C ATOM 797 C ARG A 52 -2.422 -31.529 -3.376 1.00 0.00 C ATOM 798 O ARG A 52 -2.510 -32.248 -2.371 1.00 0.00 O ATOM 799 CB ARG A 52 -0.287 -31.703 -4.761 1.00 0.00 C ATOM 800 CG ARG A 52 0.573 -32.231 -3.588 1.00 0.00 C ATOM 801 CD ARG A 52 2.078 -31.970 -3.779 1.00 0.00 C ATOM 802 NE ARG A 52 2.884 -32.603 -2.712 1.00 0.00 N ATOM 803 CZ ARG A 52 4.006 -33.316 -2.903 1.00 0.00 C ATOM 804 NH1 ARG A 52 4.505 -33.497 -4.124 1.00 0.00 N ATOM 805 NH2 ARG A 52 4.617 -33.849 -1.857 1.00 0.00 N ATOM 0 H ARG A 52 -1.964 -30.886 -6.415 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.878 -33.152 -4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.116 -32.097 -5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.190 -30.618 -4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.243 -31.760 -2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.407 -33.303 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.393 -32.354 -4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.263 -30.896 -3.786 1.00 0.00 H new ATOM 0 HE ARG A 52 2.561 -32.488 -1.751 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.034 -33.091 -4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.358 -34.041 -4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.235 -33.716 -0.921 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.470 -34.393 -1.987 1.00 0.00 H new ATOM 819 N HIS A 53 -2.875 -30.258 -3.410 1.00 0.00 N ATOM 820 CA HIS A 53 -3.558 -29.637 -2.263 1.00 0.00 C ATOM 821 C HIS A 53 -5.014 -30.122 -2.148 1.00 0.00 C ATOM 822 O HIS A 53 -5.517 -30.204 -1.045 1.00 0.00 O ATOM 823 CB HIS A 53 -3.476 -28.088 -2.312 1.00 0.00 C ATOM 824 CG HIS A 53 -2.117 -27.539 -1.943 1.00 0.00 C ATOM 825 ND1 HIS A 53 -1.398 -26.681 -2.750 1.00 0.00 N ATOM 826 CD2 HIS A 53 -1.368 -27.712 -0.826 1.00 0.00 C ATOM 827 CE1 HIS A 53 -0.267 -26.357 -2.151 1.00 0.00 C ATOM 828 NE2 HIS A 53 -0.225 -26.967 -0.985 1.00 0.00 N ATOM 0 H HIS A 53 -2.779 -29.645 -4.220 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.033 -29.956 -1.363 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.734 -27.751 -3.316 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.222 -27.672 -1.635 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.695 -26.349 -3.668 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.622 -28.321 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.494 -25.703 -2.550 1.00 0.00 H new ATOM 837 N ILE A 54 -5.678 -30.471 -3.277 1.00 0.00 N ATOM 838 CA ILE A 54 -7.045 -31.053 -3.249 1.00 0.00 C ATOM 839 C ILE A 54 -7.050 -32.345 -2.401 1.00 0.00 C ATOM 840 O ILE A 54 -7.934 -32.541 -1.560 1.00 0.00 O ATOM 841 CB ILE A 54 -7.588 -31.340 -4.707 1.00 0.00 C ATOM 842 CG1 ILE A 54 -7.783 -30.003 -5.490 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.908 -32.154 -4.694 1.00 0.00 C ATOM 844 CD1 ILE A 54 -8.157 -30.153 -6.955 1.00 0.00 C ATOM 0 H ILE A 54 -5.292 -30.361 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.714 -30.323 -2.792 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.839 -31.947 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.558 -29.420 -4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.860 -29.426 -5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.240 -32.325 -5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.740 -33.112 -4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.673 -31.598 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.268 -29.166 -7.405 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.373 -30.703 -7.476 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.098 -30.697 -7.036 1.00 0.00 H new ATOM 856 N GLU A 55 -6.004 -33.172 -2.592 1.00 0.00 N ATOM 857 CA GLU A 55 -5.813 -34.436 -1.846 1.00 0.00 C ATOM 858 C GLU A 55 -5.506 -34.175 -0.350 1.00 0.00 C ATOM 859 O GLU A 55 -5.894 -34.961 0.523 1.00 0.00 O ATOM 860 CB GLU A 55 -4.680 -35.273 -2.496 1.00 0.00 C ATOM 861 CG GLU A 55 -4.909 -35.576 -3.987 1.00 0.00 C ATOM 862 CD GLU A 55 -3.806 -36.445 -4.611 1.00 0.00 C ATOM 863 OE1 GLU A 55 -2.683 -35.941 -4.810 1.00 0.00 O ATOM 864 OE2 GLU A 55 -4.057 -37.636 -4.903 1.00 0.00 O ATOM 0 H GLU A 55 -5.265 -32.984 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.745 -34.999 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.736 -34.739 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.580 -36.214 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.868 -36.080 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.974 -34.636 -4.535 1.00 0.00 H new ATOM 871 N ARG A 56 -4.811 -33.060 -0.071 1.00 0.00 N ATOM 872 CA ARG A 56 -4.500 -32.630 1.311 1.00 0.00 C ATOM 873 C ARG A 56 -5.760 -32.041 1.999 1.00 0.00 C ATOM 874 O ARG A 56 -5.912 -32.144 3.215 1.00 0.00 O ATOM 875 CB ARG A 56 -3.324 -31.610 1.294 1.00 0.00 C ATOM 876 CG ARG A 56 -2.871 -31.069 2.677 1.00 0.00 C ATOM 877 CD ARG A 56 -2.520 -32.187 3.693 1.00 0.00 C ATOM 878 NE ARG A 56 -1.481 -33.122 3.197 1.00 0.00 N ATOM 879 CZ ARG A 56 -1.047 -34.213 3.857 1.00 0.00 C ATOM 880 NH1 ARG A 56 -1.508 -34.510 5.064 1.00 0.00 N ATOM 881 NH2 ARG A 56 -0.146 -35.006 3.293 1.00 0.00 N ATOM 0 H ARG A 56 -4.449 -32.432 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.189 -33.497 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.467 -32.082 0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.613 -30.763 0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.001 -30.427 2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.664 -30.447 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.176 -31.731 4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.423 -32.750 3.930 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.064 -32.924 2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.202 -33.908 5.507 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.168 -35.340 5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.215 -34.788 2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.186 -35.834 3.788 1.00 0.00 H new ATOM 895 N PHE A 57 -6.669 -31.462 1.199 1.00 0.00 N ATOM 896 CA PHE A 57 -7.930 -30.869 1.700 1.00 0.00 C ATOM 897 C PHE A 57 -9.006 -31.964 1.932 1.00 0.00 C ATOM 898 O PHE A 57 -10.114 -31.659 2.396 1.00 0.00 O ATOM 899 CB PHE A 57 -8.441 -29.763 0.716 1.00 0.00 C ATOM 900 CG PHE A 57 -7.704 -28.407 0.772 1.00 0.00 C ATOM 901 CD1 PHE A 57 -6.336 -28.314 1.039 1.00 0.00 C ATOM 902 CD2 PHE A 57 -8.391 -27.221 0.531 1.00 0.00 C ATOM 903 CE1 PHE A 57 -5.692 -27.091 1.055 1.00 0.00 C ATOM 904 CE2 PHE A 57 -7.747 -25.997 0.554 1.00 0.00 C ATOM 905 CZ PHE A 57 -6.401 -25.933 0.817 1.00 0.00 C ATOM 0 H PHE A 57 -6.556 -31.389 0.188 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.732 -30.398 2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.370 -30.150 -0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.498 -29.587 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.772 -29.213 1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.450 -27.257 0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.632 -27.043 1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.303 -25.091 0.365 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.899 -24.977 0.837 1.00 0.00 H new ATOM 915 N LYS A 58 -8.684 -33.232 1.585 1.00 0.00 N ATOM 916 CA LYS A 58 -9.507 -34.404 1.959 1.00 0.00 C ATOM 917 C LYS A 58 -9.284 -34.780 3.435 1.00 0.00 C ATOM 918 O LYS A 58 -10.190 -35.318 4.087 1.00 0.00 O ATOM 919 CB LYS A 58 -9.188 -35.618 1.047 1.00 0.00 C ATOM 920 CG LYS A 58 -9.325 -35.325 -0.458 1.00 0.00 C ATOM 921 CD LYS A 58 -10.717 -34.766 -0.842 1.00 0.00 C ATOM 922 CE LYS A 58 -10.768 -34.270 -2.291 1.00 0.00 C ATOM 923 NZ LYS A 58 -12.092 -33.695 -2.630 1.00 0.00 N ATOM 0 H LYS A 58 -7.853 -33.469 1.043 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.554 -34.133 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.171 -35.954 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.854 -36.440 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.558 -34.609 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.140 -36.241 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.469 -35.542 -0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.974 -33.946 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.995 -33.517 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.547 -35.097 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.087 -33.371 -3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.827 -34.420 -2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.292 -32.890 -2.003 1.00 0.00 H new ATOM 937 N GLU A 59 -8.069 -34.488 3.937 1.00 0.00 N ATOM 938 CA GLU A 59 -7.674 -34.741 5.335 1.00 0.00 C ATOM 939 C GLU A 59 -8.593 -33.967 6.314 1.00 0.00 C ATOM 940 O GLU A 59 -8.639 -32.735 6.255 1.00 0.00 O ATOM 941 CB GLU A 59 -6.185 -34.338 5.521 1.00 0.00 C ATOM 942 CG GLU A 59 -5.671 -34.364 6.972 1.00 0.00 C ATOM 943 CD GLU A 59 -4.146 -34.214 7.055 1.00 0.00 C ATOM 944 OE1 GLU A 59 -3.635 -33.069 7.033 1.00 0.00 O ATOM 945 OE2 GLU A 59 -3.444 -35.250 7.099 1.00 0.00 O ATOM 0 H GLU A 59 -7.328 -34.066 3.378 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.785 -35.802 5.559 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.567 -35.008 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.045 -33.333 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.144 -33.560 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.967 -35.301 7.443 1.00 0.00 H new ATOM 952 N PRO A 60 -9.347 -34.680 7.219 1.00 0.00 N ATOM 953 CA PRO A 60 -10.339 -34.041 8.121 1.00 0.00 C ATOM 954 C PRO A 60 -9.698 -33.069 9.136 1.00 0.00 C ATOM 955 O PRO A 60 -10.262 -32.014 9.444 1.00 0.00 O ATOM 956 CB PRO A 60 -11.008 -35.255 8.831 1.00 0.00 C ATOM 957 CG PRO A 60 -9.979 -36.338 8.768 1.00 0.00 C ATOM 958 CD PRO A 60 -9.294 -36.158 7.434 1.00 0.00 C ATOM 0 HA PRO A 60 -11.044 -33.414 7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.271 -35.017 9.862 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.928 -35.552 8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.268 -36.254 9.590 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.439 -37.323 8.844 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.268 -36.525 7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.810 -36.699 6.640 1.00 0.00 H new ATOM 966 N ASP A 61 -8.491 -33.416 9.615 1.00 0.00 N ATOM 967 CA ASP A 61 -7.808 -32.669 10.693 1.00 0.00 C ATOM 968 C ASP A 61 -6.856 -31.595 10.141 1.00 0.00 C ATOM 969 O ASP A 61 -6.113 -30.984 10.912 1.00 0.00 O ATOM 970 CB ASP A 61 -7.060 -33.652 11.625 1.00 0.00 C ATOM 971 CG ASP A 61 -8.020 -34.624 12.334 1.00 0.00 C ATOM 972 OD1 ASP A 61 -8.548 -34.279 13.413 1.00 0.00 O ATOM 973 OD2 ASP A 61 -8.273 -35.730 11.802 1.00 0.00 O ATOM 0 H ASP A 61 -7.961 -34.217 9.270 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.569 -32.144 11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.334 -34.220 11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.500 -33.088 12.371 1.00 0.00 H new ATOM 978 N LEU A 62 -6.892 -31.351 8.811 1.00 0.00 N ATOM 979 CA LEU A 62 -6.134 -30.250 8.195 1.00 0.00 C ATOM 980 C LEU A 62 -6.716 -28.896 8.645 1.00 0.00 C ATOM 981 O LEU A 62 -7.861 -28.563 8.309 1.00 0.00 O ATOM 982 CB LEU A 62 -6.175 -30.325 6.645 1.00 0.00 C ATOM 983 CG LEU A 62 -5.406 -29.173 5.913 1.00 0.00 C ATOM 984 CD1 LEU A 62 -3.877 -29.333 6.058 1.00 0.00 C ATOM 985 CD2 LEU A 62 -5.837 -29.041 4.437 1.00 0.00 C ATOM 0 H LEU A 62 -7.438 -31.903 8.149 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.098 -30.343 8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.756 -31.281 6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.216 -30.311 6.322 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.679 -28.239 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.375 -28.517 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.607 -29.311 7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.568 -30.284 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.280 -28.231 3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.632 -29.975 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.904 -28.824 4.388 1.00 0.00 H new ATOM 997 N TYR A 63 -5.933 -28.129 9.407 1.00 0.00 N ATOM 998 CA TYR A 63 -6.311 -26.767 9.798 1.00 0.00 C ATOM 999 C TYR A 63 -5.047 -25.913 9.933 1.00 0.00 C ATOM 1000 O TYR A 63 -4.205 -26.180 10.788 1.00 0.00 O ATOM 1001 CB TYR A 63 -7.110 -26.799 11.136 1.00 0.00 C ATOM 1002 CG TYR A 63 -7.662 -25.432 11.576 1.00 0.00 C ATOM 1003 CD1 TYR A 63 -8.792 -24.887 10.965 1.00 0.00 C ATOM 1004 CD2 TYR A 63 -7.050 -24.681 12.589 1.00 0.00 C ATOM 1005 CE1 TYR A 63 -9.289 -23.653 11.338 1.00 0.00 C ATOM 1006 CE2 TYR A 63 -7.551 -23.447 12.966 1.00 0.00 C ATOM 1007 CZ TYR A 63 -8.664 -22.938 12.336 1.00 0.00 C ATOM 1008 OH TYR A 63 -9.156 -21.702 12.702 1.00 0.00 O ATOM 0 H TYR A 63 -5.028 -28.430 9.768 1.00 0.00 H new ATOM 0 HA TYR A 63 -6.952 -26.327 9.034 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.941 -27.497 11.033 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -6.463 -27.187 11.923 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.289 -25.442 10.183 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.173 -25.072 13.084 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.164 -23.251 10.849 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.070 -22.885 13.753 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.603 -21.329 13.420 1.00 0.00 H new ATOM 1018 N GLY A 64 -4.935 -24.885 9.080 1.00 0.00 N ATOM 1019 CA GLY A 64 -3.847 -23.915 9.158 1.00 0.00 C ATOM 1020 C GLY A 64 -4.289 -22.683 9.917 1.00 0.00 C ATOM 1021 O GLY A 64 -5.079 -21.885 9.396 1.00 0.00 O ATOM 0 H GLY A 64 -5.595 -24.708 8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.986 -24.365 9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.528 -23.636 8.154 1.00 0.00 H new ATOM 1025 N GLU A 65 -3.826 -22.554 11.168 1.00 0.00 N ATOM 1026 CA GLU A 65 -4.111 -21.380 12.008 1.00 0.00 C ATOM 1027 C GLU A 65 -2.929 -20.413 11.934 1.00 0.00 C ATOM 1028 O GLU A 65 -1.877 -20.684 12.518 1.00 0.00 O ATOM 1029 CB GLU A 65 -4.358 -21.812 13.476 1.00 0.00 C ATOM 1030 CG GLU A 65 -4.804 -20.663 14.401 1.00 0.00 C ATOM 1031 CD GLU A 65 -5.002 -21.099 15.862 1.00 0.00 C ATOM 1032 OE1 GLU A 65 -6.097 -21.601 16.196 1.00 0.00 O ATOM 1033 OE2 GLU A 65 -4.062 -20.945 16.679 1.00 0.00 O ATOM 0 H GLU A 65 -3.246 -23.257 11.626 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.011 -20.885 11.643 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.118 -22.593 13.491 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.443 -22.251 13.874 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.060 -19.867 14.364 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.737 -20.244 14.025 1.00 0.00 H new ATOM 1040 N LEU A 66 -3.087 -19.301 11.197 1.00 0.00 N ATOM 1041 CA LEU A 66 -2.004 -18.328 11.010 1.00 0.00 C ATOM 1042 C LEU A 66 -1.880 -17.434 12.248 1.00 0.00 C ATOM 1043 O LEU A 66 -2.867 -16.852 12.716 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.217 -17.515 9.704 1.00 0.00 C ATOM 1045 CG LEU A 66 -1.018 -16.601 9.244 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -0.913 -16.549 7.706 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.128 -15.166 9.811 1.00 0.00 C ATOM 0 H LEU A 66 -3.956 -19.056 10.722 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.058 -18.857 10.897 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.442 -18.215 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.097 -16.885 9.834 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.112 -17.054 9.646 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.077 -15.911 7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.751 -17.555 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.836 -16.144 7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.280 -14.573 9.467 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.055 -14.708 9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.126 -15.204 10.900 1.00 0.00 H new ATOM 1059 N LEU A 67 -0.652 -17.359 12.778 1.00 0.00 N ATOM 1060 CA LEU A 67 -0.343 -16.606 14.016 1.00 0.00 C ATOM 1061 C LEU A 67 0.177 -15.215 13.630 1.00 0.00 C ATOM 1062 O LEU A 67 -0.254 -14.183 14.153 1.00 0.00 O ATOM 1063 CB LEU A 67 0.746 -17.331 14.900 1.00 0.00 C ATOM 1064 CG LEU A 67 0.681 -18.893 15.044 1.00 0.00 C ATOM 1065 CD1 LEU A 67 -0.743 -19.406 15.304 1.00 0.00 C ATOM 1066 CD2 LEU A 67 1.335 -19.599 13.842 1.00 0.00 C ATOM 0 H LEU A 67 0.161 -17.817 12.365 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.258 -16.538 14.604 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.725 -17.077 14.493 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.696 -16.904 15.902 1.00 0.00 H new ATOM 0 HG LEU A 67 1.262 -19.148 15.930 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.728 -20.492 15.395 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.124 -18.970 16.228 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.390 -19.121 14.474 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.272 -20.679 13.976 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.815 -19.316 12.927 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.382 -19.303 13.771 1.00 0.00 H new ATOM 1078 N THR A 68 1.125 -15.234 12.688 1.00 0.00 N ATOM 1079 CA THR A 68 1.920 -14.071 12.290 1.00 0.00 C ATOM 1080 C THR A 68 2.188 -14.122 10.780 1.00 0.00 C ATOM 1081 O THR A 68 2.528 -15.182 10.260 1.00 0.00 O ATOM 1082 CB THR A 68 3.283 -14.087 13.071 1.00 0.00 C ATOM 1083 OG1 THR A 68 3.031 -13.988 14.486 1.00 0.00 O ATOM 1084 CG2 THR A 68 4.251 -12.969 12.633 1.00 0.00 C ATOM 0 H THR A 68 1.366 -16.079 12.170 1.00 0.00 H new ATOM 0 HA THR A 68 1.375 -13.157 12.525 1.00 0.00 H new ATOM 0 HB THR A 68 3.771 -15.032 12.834 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.882 -14.000 14.971 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.172 -13.038 13.212 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.479 -13.080 11.573 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.787 -11.998 12.804 1.00 0.00 H new ATOM 1092 N ARG A 69 2.006 -12.988 10.080 1.00 0.00 N ATOM 1093 CA ARG A 69 2.495 -12.828 8.698 1.00 0.00 C ATOM 1094 C ARG A 69 3.254 -11.493 8.578 1.00 0.00 C ATOM 1095 O ARG A 69 2.771 -10.451 9.033 1.00 0.00 O ATOM 1096 CB ARG A 69 1.353 -12.969 7.632 1.00 0.00 C ATOM 1097 CG ARG A 69 0.381 -11.775 7.496 1.00 0.00 C ATOM 1098 CD ARG A 69 -0.677 -11.992 6.389 1.00 0.00 C ATOM 1099 NE ARG A 69 -1.398 -10.746 6.055 1.00 0.00 N ATOM 1100 CZ ARG A 69 -2.730 -10.568 6.066 1.00 0.00 C ATOM 1101 NH1 ARG A 69 -3.555 -11.550 6.419 1.00 0.00 N ATOM 1102 NH2 ARG A 69 -3.224 -9.391 5.710 1.00 0.00 N ATOM 0 H ARG A 69 1.524 -12.168 10.449 1.00 0.00 H new ATOM 0 HA ARG A 69 3.186 -13.642 8.479 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.814 -13.145 6.660 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.769 -13.857 7.874 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.123 -11.612 8.448 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.950 -10.871 7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.190 -12.379 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.392 -12.747 6.715 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.829 -9.942 5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.180 -12.459 6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.563 -11.394 6.420 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.596 -8.637 5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.233 -9.239 5.713 1.00 0.00 H new ATOM 1116 N VAL A 70 4.484 -11.550 8.024 1.00 0.00 N ATOM 1117 CA VAL A 70 5.339 -10.361 7.793 1.00 0.00 C ATOM 1118 C VAL A 70 5.356 -10.077 6.285 1.00 0.00 C ATOM 1119 O VAL A 70 5.129 -10.992 5.489 1.00 0.00 O ATOM 1120 CB VAL A 70 6.825 -10.557 8.350 1.00 0.00 C ATOM 1121 CG1 VAL A 70 6.838 -11.423 9.631 1.00 0.00 C ATOM 1122 CG2 VAL A 70 7.826 -11.093 7.283 1.00 0.00 C ATOM 0 H VAL A 70 4.915 -12.424 7.723 1.00 0.00 H new ATOM 0 HA VAL A 70 4.923 -9.515 8.340 1.00 0.00 H new ATOM 0 HB VAL A 70 7.180 -9.560 8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.863 -11.536 9.983 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.240 -10.939 10.404 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.419 -12.405 9.411 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.813 -11.201 7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.485 -12.062 6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.881 -10.391 6.451 1.00 0.00 H new ATOM 1132 N ILE A 71 5.635 -8.832 5.886 1.00 0.00 N ATOM 1133 CA ILE A 71 5.695 -8.461 4.461 1.00 0.00 C ATOM 1134 C ILE A 71 6.940 -7.598 4.173 1.00 0.00 C ATOM 1135 O ILE A 71 7.299 -6.713 4.957 1.00 0.00 O ATOM 1136 CB ILE A 71 4.371 -7.746 3.999 1.00 0.00 C ATOM 1137 CG1 ILE A 71 4.399 -7.449 2.467 1.00 0.00 C ATOM 1138 CG2 ILE A 71 4.097 -6.467 4.827 1.00 0.00 C ATOM 1139 CD1 ILE A 71 3.089 -6.959 1.908 1.00 0.00 C ATOM 0 H ILE A 71 5.823 -8.061 6.527 1.00 0.00 H new ATOM 0 HA ILE A 71 5.784 -9.377 3.876 1.00 0.00 H new ATOM 0 HB ILE A 71 3.542 -8.429 4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.168 -6.703 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.690 -8.356 1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.175 -6.000 4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.997 -6.730 5.880 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.926 -5.770 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.195 -6.777 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.319 -7.712 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.804 -6.033 2.407 1.00 0.00 H new ATOM 1151 N VAL A 72 7.602 -7.896 3.048 1.00 0.00 N ATOM 1152 CA VAL A 72 8.819 -7.217 2.596 1.00 0.00 C ATOM 1153 C VAL A 72 8.823 -7.187 1.044 1.00 0.00 C ATOM 1154 O VAL A 72 9.068 -8.209 0.383 1.00 0.00 O ATOM 1155 CB VAL A 72 10.116 -7.898 3.208 1.00 0.00 C ATOM 1156 CG1 VAL A 72 10.161 -9.434 2.956 1.00 0.00 C ATOM 1157 CG2 VAL A 72 11.415 -7.197 2.721 1.00 0.00 C ATOM 0 H VAL A 72 7.297 -8.634 2.413 1.00 0.00 H new ATOM 0 HA VAL A 72 8.832 -6.188 2.956 1.00 0.00 H new ATOM 0 HB VAL A 72 10.056 -7.764 4.288 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.068 -9.848 3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.290 -9.903 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.156 -9.627 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.282 -7.691 3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.476 -7.257 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.400 -6.151 3.026 1.00 0.00 H new ATOM 1167 N GLY A 73 8.480 -6.013 0.476 1.00 0.00 N ATOM 1168 CA GLY A 73 8.406 -5.826 -0.975 1.00 0.00 C ATOM 1169 C GLY A 73 7.292 -6.658 -1.617 1.00 0.00 C ATOM 1170 O GLY A 73 6.112 -6.463 -1.309 1.00 0.00 O ATOM 0 H GLY A 73 8.249 -5.177 1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.240 -4.771 -1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.362 -6.098 -1.422 1.00 0.00 H new ATOM 1174 N ASN A 74 7.673 -7.613 -2.483 1.00 0.00 N ATOM 1175 CA ASN A 74 6.712 -8.486 -3.200 1.00 0.00 C ATOM 1176 C ASN A 74 6.583 -9.868 -2.526 1.00 0.00 C ATOM 1177 O ASN A 74 5.976 -10.782 -3.085 1.00 0.00 O ATOM 1178 CB ASN A 74 7.132 -8.665 -4.688 1.00 0.00 C ATOM 1179 CG ASN A 74 8.461 -9.414 -4.871 1.00 0.00 C ATOM 1180 OD1 ASN A 74 9.430 -9.164 -4.155 1.00 0.00 O ATOM 1181 ND2 ASN A 74 8.499 -10.361 -5.801 1.00 0.00 N ATOM 0 H ASN A 74 8.649 -7.805 -2.709 1.00 0.00 H new ATOM 0 HA ASN A 74 5.740 -7.994 -3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.346 -9.205 -5.215 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.212 -7.683 -5.154 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.350 -10.907 -5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.678 -10.543 -6.378 1.00 0.00 H new ATOM 1188 N VAL A 75 7.118 -9.996 -1.306 1.00 0.00 N ATOM 1189 CA VAL A 75 7.272 -11.291 -0.603 1.00 0.00 C ATOM 1190 C VAL A 75 6.617 -11.219 0.786 1.00 0.00 C ATOM 1191 O VAL A 75 6.724 -10.199 1.461 1.00 0.00 O ATOM 1192 CB VAL A 75 8.806 -11.638 -0.459 1.00 0.00 C ATOM 1193 CG1 VAL A 75 9.032 -12.971 0.287 1.00 0.00 C ATOM 1194 CG2 VAL A 75 9.508 -11.653 -1.839 1.00 0.00 C ATOM 0 H VAL A 75 7.462 -9.201 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 75 6.780 -12.072 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 75 9.255 -10.849 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.101 -13.169 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.604 -12.905 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.551 -13.781 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.563 -11.895 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.040 -12.403 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.416 -10.672 -2.305 1.00 0.00 H new ATOM 1204 N VAL A 76 5.922 -12.298 1.196 1.00 0.00 N ATOM 1205 CA VAL A 76 5.328 -12.423 2.545 1.00 0.00 C ATOM 1206 C VAL A 76 5.806 -13.727 3.205 1.00 0.00 C ATOM 1207 O VAL A 76 5.930 -14.754 2.533 1.00 0.00 O ATOM 1208 CB VAL A 76 3.743 -12.389 2.490 1.00 0.00 C ATOM 1209 CG1 VAL A 76 3.082 -12.754 3.850 1.00 0.00 C ATOM 1210 CG2 VAL A 76 3.231 -11.011 2.016 1.00 0.00 C ATOM 0 H VAL A 76 5.755 -13.110 0.601 1.00 0.00 H new ATOM 0 HA VAL A 76 5.657 -11.571 3.139 1.00 0.00 H new ATOM 0 HB VAL A 76 3.452 -13.152 1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.997 -12.714 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.382 -13.760 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.403 -12.044 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.141 -11.018 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.572 -10.239 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.618 -10.802 1.019 1.00 0.00 H new ATOM 1220 N ILE A 77 6.097 -13.653 4.515 1.00 0.00 N ATOM 1221 CA ILE A 77 6.270 -14.833 5.372 1.00 0.00 C ATOM 1222 C ILE A 77 4.948 -15.044 6.106 1.00 0.00 C ATOM 1223 O ILE A 77 4.641 -14.318 7.050 1.00 0.00 O ATOM 1224 CB ILE A 77 7.426 -14.608 6.426 1.00 0.00 C ATOM 1225 CG1 ILE A 77 8.809 -14.465 5.730 1.00 0.00 C ATOM 1226 CG2 ILE A 77 7.470 -15.702 7.527 1.00 0.00 C ATOM 1227 CD1 ILE A 77 9.335 -15.745 5.129 1.00 0.00 C ATOM 0 H ILE A 77 6.219 -12.769 5.009 1.00 0.00 H new ATOM 0 HA ILE A 77 6.540 -15.699 4.767 1.00 0.00 H new ATOM 0 HB ILE A 77 7.194 -13.670 6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.732 -13.713 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.532 -14.094 6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.285 -15.490 8.219 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.525 -15.709 8.071 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.630 -16.676 7.066 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.303 -15.558 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.448 -16.495 5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.635 -16.108 4.377 1.00 0.00 H new ATOM 1239 N ASP A 78 4.151 -15.998 5.644 1.00 0.00 N ATOM 1240 CA ASP A 78 2.921 -16.407 6.319 1.00 0.00 C ATOM 1241 C ASP A 78 3.238 -17.623 7.203 1.00 0.00 C ATOM 1242 O ASP A 78 3.454 -18.736 6.723 1.00 0.00 O ATOM 1243 CB ASP A 78 1.773 -16.666 5.290 1.00 0.00 C ATOM 1244 CG ASP A 78 2.134 -17.613 4.133 1.00 0.00 C ATOM 1245 OD1 ASP A 78 2.959 -17.217 3.270 1.00 0.00 O ATOM 1246 OD2 ASP A 78 1.588 -18.741 4.073 1.00 0.00 O ATOM 0 H ASP A 78 4.339 -16.515 4.785 1.00 0.00 H new ATOM 0 HA ASP A 78 2.551 -15.608 6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.916 -17.078 5.822 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.459 -15.710 4.872 1.00 0.00 H new ATOM 1251 N HIS A 79 3.318 -17.362 8.515 1.00 0.00 N ATOM 1252 CA HIS A 79 3.673 -18.360 9.526 1.00 0.00 C ATOM 1253 C HIS A 79 2.389 -18.850 10.206 1.00 0.00 C ATOM 1254 O HIS A 79 1.744 -18.108 10.967 1.00 0.00 O ATOM 1255 CB HIS A 79 4.659 -17.750 10.567 1.00 0.00 C ATOM 1256 CG HIS A 79 5.124 -18.725 11.626 1.00 0.00 C ATOM 1257 ND1 HIS A 79 4.545 -18.807 12.875 1.00 0.00 N ATOM 1258 CD2 HIS A 79 6.113 -19.655 11.617 1.00 0.00 C ATOM 1259 CE1 HIS A 79 5.152 -19.742 13.583 1.00 0.00 C ATOM 1260 NE2 HIS A 79 6.102 -20.272 12.840 1.00 0.00 N ATOM 0 H HIS A 79 3.135 -16.438 8.906 1.00 0.00 H new ATOM 0 HA HIS A 79 4.174 -19.205 9.054 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.530 -17.360 10.041 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.176 -16.903 11.055 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.784 -19.869 10.798 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.911 -20.024 14.597 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.729 -21.022 13.129 1.00 0.00 H new ATOM 1269 N GLU A 80 2.029 -20.100 9.902 1.00 0.00 N ATOM 1270 CA GLU A 80 0.831 -20.778 10.426 1.00 0.00 C ATOM 1271 C GLU A 80 1.228 -22.047 11.200 1.00 0.00 C ATOM 1272 O GLU A 80 2.368 -22.490 11.147 1.00 0.00 O ATOM 1273 CB GLU A 80 -0.199 -21.095 9.274 1.00 0.00 C ATOM 1274 CG GLU A 80 0.390 -21.276 7.857 1.00 0.00 C ATOM 1275 CD GLU A 80 1.506 -22.339 7.761 1.00 0.00 C ATOM 1276 OE1 GLU A 80 1.233 -23.529 8.042 1.00 0.00 O ATOM 1277 OE2 GLU A 80 2.659 -21.976 7.440 1.00 0.00 O ATOM 0 H GLU A 80 2.573 -20.686 9.269 1.00 0.00 H new ATOM 0 HA GLU A 80 0.332 -20.103 11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.738 -22.004 9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.932 -20.289 9.239 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.415 -21.549 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.786 -20.319 7.516 1.00 0.00 H new ATOM 1284 N THR A 81 0.276 -22.578 11.965 1.00 0.00 N ATOM 1285 CA THR A 81 0.401 -23.856 12.672 1.00 0.00 C ATOM 1286 C THR A 81 -0.636 -24.843 12.113 1.00 0.00 C ATOM 1287 O THR A 81 -1.841 -24.688 12.357 1.00 0.00 O ATOM 1288 CB THR A 81 0.226 -23.644 14.217 1.00 0.00 C ATOM 1289 OG1 THR A 81 1.233 -22.733 14.671 1.00 0.00 O ATOM 1290 CG2 THR A 81 0.344 -24.947 15.023 1.00 0.00 C ATOM 0 H THR A 81 -0.625 -22.123 12.115 1.00 0.00 H new ATOM 0 HA THR A 81 1.396 -24.272 12.514 1.00 0.00 H new ATOM 0 HB THR A 81 -0.779 -23.253 14.378 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.134 -22.590 15.635 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.214 -24.732 16.084 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.425 -25.647 14.697 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.328 -25.388 14.860 1.00 0.00 H new ATOM 1298 N VAL A 82 -0.162 -25.818 11.308 1.00 0.00 N ATOM 1299 CA VAL A 82 -1.024 -26.855 10.714 1.00 0.00 C ATOM 1300 C VAL A 82 -1.245 -28.021 11.696 1.00 0.00 C ATOM 1301 O VAL A 82 -0.292 -28.606 12.223 1.00 0.00 O ATOM 1302 CB VAL A 82 -0.473 -27.396 9.335 1.00 0.00 C ATOM 1303 CG1 VAL A 82 -0.584 -26.312 8.237 1.00 0.00 C ATOM 1304 CG2 VAL A 82 0.983 -27.915 9.459 1.00 0.00 C ATOM 0 H VAL A 82 0.822 -25.906 11.055 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.982 -26.376 10.510 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.094 -28.244 9.045 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.199 -26.706 7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.629 -26.028 8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.003 -25.437 8.529 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.324 -28.278 8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.631 -27.104 9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.019 -28.728 10.184 1.00 0.00 H new ATOM 1314 N THR A 83 -2.523 -28.323 11.939 1.00 0.00 N ATOM 1315 CA THR A 83 -2.963 -29.448 12.763 1.00 0.00 C ATOM 1316 C THR A 83 -2.778 -30.777 11.994 1.00 0.00 C ATOM 1317 O THR A 83 -3.147 -30.870 10.815 1.00 0.00 O ATOM 1318 CB THR A 83 -4.460 -29.242 13.158 1.00 0.00 C ATOM 1319 OG1 THR A 83 -4.627 -27.966 13.806 1.00 0.00 O ATOM 1320 CG2 THR A 83 -4.991 -30.357 14.080 1.00 0.00 C ATOM 0 H THR A 83 -3.297 -27.779 11.559 1.00 0.00 H new ATOM 0 HA THR A 83 -2.359 -29.495 13.669 1.00 0.00 H new ATOM 0 HB THR A 83 -5.038 -29.277 12.235 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.568 -27.843 14.049 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.036 -30.162 14.322 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.909 -31.318 13.573 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.404 -30.380 14.998 1.00 0.00 H new ATOM 1328 N ARG A 84 -2.173 -31.781 12.663 1.00 0.00 N ATOM 1329 CA ARG A 84 -1.891 -33.113 12.086 1.00 0.00 C ATOM 1330 C ARG A 84 -2.395 -34.205 13.054 1.00 0.00 C ATOM 1331 O ARG A 84 -3.128 -33.904 14.005 1.00 0.00 O ATOM 1332 CB ARG A 84 -0.365 -33.269 11.823 1.00 0.00 C ATOM 1333 CG ARG A 84 0.229 -32.177 10.910 1.00 0.00 C ATOM 1334 CD ARG A 84 1.752 -32.268 10.779 1.00 0.00 C ATOM 1335 NE ARG A 84 2.275 -31.253 9.844 1.00 0.00 N ATOM 1336 CZ ARG A 84 3.144 -31.487 8.853 1.00 0.00 C ATOM 1337 NH1 ARG A 84 3.624 -32.708 8.643 1.00 0.00 N ATOM 1338 NH2 ARG A 84 3.522 -30.492 8.068 1.00 0.00 N ATOM 0 H ARG A 84 -1.863 -31.689 13.630 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.411 -33.218 11.134 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.161 -33.256 12.778 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.182 -34.244 11.372 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.220 -32.255 9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.038 -31.197 11.305 1.00 0.00 H new ATOM 0 HD2 ARG A 84 2.211 -32.133 11.758 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.030 -33.263 10.431 1.00 0.00 H new ATOM 0 HE ARG A 84 1.947 -30.294 9.963 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.331 -33.481 9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.286 -32.872 7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.152 -29.554 8.220 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.184 -30.663 7.311 1.00 0.00 H new ATOM 1352 N ASN A 85 -2.003 -35.474 12.803 1.00 0.00 N ATOM 1353 CA ASN A 85 -2.414 -36.638 13.623 1.00 0.00 C ATOM 1354 C ASN A 85 -1.167 -37.436 14.039 1.00 0.00 C ATOM 1355 O ASN A 85 -0.619 -38.197 13.232 1.00 0.00 O ATOM 1356 CB ASN A 85 -3.391 -37.536 12.817 1.00 0.00 C ATOM 1357 CG ASN A 85 -4.664 -36.810 12.385 1.00 0.00 C ATOM 1358 OD1 ASN A 85 -4.690 -36.141 11.353 1.00 0.00 O ATOM 1359 ND2 ASN A 85 -5.725 -36.933 13.161 1.00 0.00 N ATOM 0 H ASN A 85 -1.392 -35.721 12.025 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.927 -36.289 14.519 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.879 -37.915 11.932 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.662 -38.401 13.423 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.597 -36.466 12.911 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.673 -37.495 14.011 1.00 0.00 H new ATOM 1366 N PHE A 86 -0.697 -37.242 15.285 1.00 0.00 N ATOM 1367 CA PHE A 86 0.526 -37.892 15.804 1.00 0.00 C ATOM 1368 C PHE A 86 0.159 -38.974 16.857 1.00 0.00 C ATOM 1369 O PHE A 86 -0.870 -38.861 17.527 1.00 0.00 O ATOM 1370 CB PHE A 86 1.481 -36.811 16.413 1.00 0.00 C ATOM 1371 CG PHE A 86 2.240 -35.920 15.407 1.00 0.00 C ATOM 1372 CD1 PHE A 86 2.094 -36.068 14.024 1.00 0.00 C ATOM 1373 CD2 PHE A 86 3.110 -34.923 15.860 1.00 0.00 C ATOM 1374 CE1 PHE A 86 2.786 -35.258 13.141 1.00 0.00 C ATOM 1375 CE2 PHE A 86 3.801 -34.115 14.971 1.00 0.00 C ATOM 1376 CZ PHE A 86 3.636 -34.281 13.615 1.00 0.00 C ATOM 0 H PHE A 86 -1.153 -36.631 15.962 1.00 0.00 H new ATOM 0 HA PHE A 86 1.045 -38.389 14.984 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.894 -36.165 17.066 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.214 -37.318 17.041 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.430 -36.827 13.639 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.246 -34.780 16.922 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.660 -35.391 12.077 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.470 -33.354 15.343 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.171 -33.647 12.923 1.00 0.00 H new ATOM 1386 N PRO A 87 0.979 -40.072 16.990 1.00 0.00 N ATOM 1387 CA PRO A 87 0.790 -41.095 18.055 1.00 0.00 C ATOM 1388 C PRO A 87 1.031 -40.544 19.480 1.00 0.00 C ATOM 1389 O PRO A 87 0.449 -41.047 20.451 1.00 0.00 O ATOM 1390 CB PRO A 87 1.824 -42.199 17.692 1.00 0.00 C ATOM 1391 CG PRO A 87 2.854 -41.501 16.856 1.00 0.00 C ATOM 1392 CD PRO A 87 2.098 -40.445 16.077 1.00 0.00 C ATOM 0 HA PRO A 87 -0.238 -41.457 18.085 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.269 -42.633 18.587 1.00 0.00 H new ATOM 0 HB3 PRO A 87 1.355 -43.015 17.142 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.626 -41.050 17.480 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.354 -42.200 16.186 1.00 0.00 H new ATOM 0 HD2 PRO A 87 2.730 -39.588 15.846 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.729 -40.834 15.128 1.00 0.00 H new ATOM 1400 N GLU A 88 1.875 -39.498 19.593 1.00 0.00 N ATOM 1401 CA GLU A 88 2.257 -38.919 20.904 1.00 0.00 C ATOM 1402 C GLU A 88 1.255 -37.843 21.381 1.00 0.00 C ATOM 1403 O GLU A 88 1.341 -37.384 22.530 1.00 0.00 O ATOM 1404 CB GLU A 88 3.702 -38.331 20.865 1.00 0.00 C ATOM 1405 CG GLU A 88 3.953 -37.198 19.828 1.00 0.00 C ATOM 1406 CD GLU A 88 4.679 -37.654 18.550 1.00 0.00 C ATOM 1407 OE1 GLU A 88 4.085 -38.401 17.756 1.00 0.00 O ATOM 1408 OE2 GLU A 88 5.843 -37.261 18.327 1.00 0.00 O ATOM 0 H GLU A 88 2.307 -39.035 18.794 1.00 0.00 H new ATOM 0 HA GLU A 88 2.233 -39.737 21.624 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.943 -37.948 21.857 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.398 -39.144 20.659 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.995 -36.758 19.550 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.539 -36.411 20.303 1.00 0.00 H new ATOM 1415 N GLY A 89 0.321 -37.441 20.498 1.00 0.00 N ATOM 1416 CA GLY A 89 -0.691 -36.439 20.844 1.00 0.00 C ATOM 1417 C GLY A 89 -1.401 -35.873 19.621 1.00 0.00 C ATOM 1418 O GLY A 89 -1.722 -36.614 18.699 1.00 0.00 O ATOM 0 H GLY A 89 0.251 -37.796 19.545 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.427 -36.888 21.511 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.218 -35.625 21.393 1.00 0.00 H new ATOM 1422 N LYS A 90 -1.663 -34.553 19.633 1.00 0.00 N ATOM 1423 CA LYS A 90 -2.326 -33.847 18.536 1.00 0.00 C ATOM 1424 C LYS A 90 -1.456 -33.836 17.261 1.00 0.00 C ATOM 1425 O LYS A 90 -1.667 -34.665 16.374 1.00 0.00 O ATOM 1426 CB LYS A 90 -2.714 -32.415 19.005 1.00 0.00 C ATOM 1427 CG LYS A 90 -3.383 -31.514 17.940 1.00 0.00 C ATOM 1428 CD LYS A 90 -4.621 -32.145 17.274 1.00 0.00 C ATOM 1429 CE LYS A 90 -5.677 -32.643 18.280 1.00 0.00 C ATOM 1430 NZ LYS A 90 -6.921 -33.088 17.604 1.00 0.00 N ATOM 0 H LYS A 90 -1.416 -33.946 20.415 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.240 -34.377 18.268 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.390 -32.503 19.855 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.814 -31.915 19.363 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.674 -30.573 18.406 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.650 -31.275 17.169 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.080 -31.411 16.611 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.302 -32.981 16.652 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.264 -33.468 18.860 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.912 -31.845 18.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.605 -33.415 18.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.329 -32.294 17.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.702 -33.867 16.951 1.00 0.00 H new ATOM 1444 N GLY A 91 -0.471 -32.921 17.172 1.00 0.00 N ATOM 1445 CA GLY A 91 0.401 -32.851 15.995 1.00 0.00 C ATOM 1446 C GLY A 91 0.371 -31.512 15.293 1.00 0.00 C ATOM 1447 O GLY A 91 0.644 -31.427 14.097 1.00 0.00 O ATOM 0 H GLY A 91 -0.265 -32.231 17.894 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.425 -33.069 16.299 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.106 -33.628 15.289 1.00 0.00 H new ATOM 1451 N GLU A 92 0.093 -30.447 16.038 1.00 0.00 N ATOM 1452 CA GLU A 92 -0.084 -29.108 15.457 1.00 0.00 C ATOM 1453 C GLU A 92 1.305 -28.415 15.401 1.00 0.00 C ATOM 1454 O GLU A 92 1.828 -27.915 16.388 1.00 0.00 O ATOM 1455 CB GLU A 92 -1.197 -28.307 16.248 1.00 0.00 C ATOM 1456 CG GLU A 92 -0.855 -27.718 17.656 1.00 0.00 C ATOM 1457 CD GLU A 92 -0.165 -28.690 18.646 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -0.652 -29.815 18.845 1.00 0.00 O ATOM 1459 OE2 GLU A 92 0.852 -28.315 19.254 1.00 0.00 O ATOM 0 H GLU A 92 -0.016 -30.479 17.052 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.455 -29.157 14.433 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.519 -27.480 15.615 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.055 -28.969 16.368 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.209 -26.851 17.519 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.778 -27.359 18.112 1.00 0.00 H new ATOM 1466 N VAL A 93 1.920 -28.429 14.199 1.00 0.00 N ATOM 1467 CA VAL A 93 3.328 -28.022 14.004 1.00 0.00 C ATOM 1468 C VAL A 93 3.380 -26.643 13.342 1.00 0.00 C ATOM 1469 O VAL A 93 2.527 -26.326 12.497 1.00 0.00 O ATOM 1470 CB VAL A 93 4.144 -29.080 13.141 1.00 0.00 C ATOM 1471 CG1 VAL A 93 3.897 -30.515 13.646 1.00 0.00 C ATOM 1472 CG2 VAL A 93 3.866 -28.978 11.615 1.00 0.00 C ATOM 0 H VAL A 93 1.456 -28.722 13.339 1.00 0.00 H new ATOM 0 HA VAL A 93 3.800 -27.976 14.986 1.00 0.00 H new ATOM 0 HB VAL A 93 5.197 -28.833 13.279 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.467 -31.218 13.038 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.214 -30.594 14.686 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.835 -30.749 13.572 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.455 -29.728 11.087 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.806 -29.150 11.426 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.142 -27.985 11.261 1.00 0.00 H new ATOM 1482 N ASP A 94 4.362 -25.817 13.738 1.00 0.00 N ATOM 1483 CA ASP A 94 4.543 -24.483 13.151 1.00 0.00 C ATOM 1484 C ASP A 94 5.306 -24.625 11.823 1.00 0.00 C ATOM 1485 O ASP A 94 6.181 -25.486 11.694 1.00 0.00 O ATOM 1486 CB ASP A 94 5.280 -23.512 14.118 1.00 0.00 C ATOM 1487 CG ASP A 94 6.807 -23.729 14.200 1.00 0.00 C ATOM 1488 OD1 ASP A 94 7.242 -24.842 14.560 1.00 0.00 O ATOM 1489 OD2 ASP A 94 7.574 -22.778 13.927 1.00 0.00 O ATOM 0 H ASP A 94 5.041 -26.051 14.462 1.00 0.00 H new ATOM 0 HA ASP A 94 3.561 -24.046 12.968 1.00 0.00 H new ATOM 0 HB2 ASP A 94 5.088 -22.487 13.800 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.856 -23.621 15.116 1.00 0.00 H new ATOM 1494 N VAL A 95 4.912 -23.827 10.830 1.00 0.00 N ATOM 1495 CA VAL A 95 5.536 -23.767 9.504 1.00 0.00 C ATOM 1496 C VAL A 95 5.624 -22.279 9.106 1.00 0.00 C ATOM 1497 O VAL A 95 4.739 -21.495 9.458 1.00 0.00 O ATOM 1498 CB VAL A 95 4.694 -24.560 8.416 1.00 0.00 C ATOM 1499 CG1 VAL A 95 5.417 -24.620 7.051 1.00 0.00 C ATOM 1500 CG2 VAL A 95 4.285 -25.974 8.903 1.00 0.00 C ATOM 0 H VAL A 95 4.126 -23.184 10.927 1.00 0.00 H new ATOM 0 HA VAL A 95 6.521 -24.232 9.547 1.00 0.00 H new ATOM 0 HB VAL A 95 3.774 -23.994 8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.804 -25.172 6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.581 -23.608 6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.377 -25.123 7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.711 -26.475 8.124 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.180 -26.555 9.126 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.676 -25.887 9.803 1.00 0.00 H new ATOM 1510 N ALA A 96 6.719 -21.883 8.448 1.00 0.00 N ATOM 1511 CA ALA A 96 6.859 -20.571 7.823 1.00 0.00 C ATOM 1512 C ALA A 96 6.843 -20.756 6.305 1.00 0.00 C ATOM 1513 O ALA A 96 7.827 -21.238 5.723 1.00 0.00 O ATOM 1514 CB ALA A 96 8.162 -19.895 8.281 1.00 0.00 C ATOM 0 H ALA A 96 7.542 -22.475 8.335 1.00 0.00 H new ATOM 0 HA ALA A 96 6.033 -19.925 8.120 1.00 0.00 H new ATOM 0 HB1 ALA A 96 8.251 -18.918 7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 96 8.147 -19.772 9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.013 -20.515 7.998 1.00 0.00 H new ATOM 1520 N CYS A 97 5.725 -20.398 5.670 1.00 0.00 N ATOM 1521 CA CYS A 97 5.610 -20.398 4.214 1.00 0.00 C ATOM 1522 C CYS A 97 5.968 -19.001 3.710 1.00 0.00 C ATOM 1523 O CYS A 97 5.620 -17.999 4.325 1.00 0.00 O ATOM 1524 CB CYS A 97 4.187 -20.800 3.778 1.00 0.00 C ATOM 1525 SG CYS A 97 3.704 -22.462 4.298 1.00 0.00 S ATOM 0 H CYS A 97 4.876 -20.101 6.152 1.00 0.00 H new ATOM 0 HA CYS A 97 6.293 -21.130 3.784 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.476 -20.081 4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 97 4.118 -20.735 2.692 1.00 0.00 H new ATOM 0 HG CYS A 97 3.232 -22.418 5.509 1.00 0.00 H new ATOM 1531 N ILE A 98 6.750 -18.965 2.640 1.00 0.00 N ATOM 1532 CA ILE A 98 7.208 -17.736 1.993 1.00 0.00 C ATOM 1533 C ILE A 98 6.765 -17.728 0.515 1.00 0.00 C ATOM 1534 O ILE A 98 7.222 -18.544 -0.291 1.00 0.00 O ATOM 1535 CB ILE A 98 8.776 -17.580 2.138 1.00 0.00 C ATOM 1536 CG1 ILE A 98 9.309 -16.360 1.315 1.00 0.00 C ATOM 1537 CG2 ILE A 98 9.538 -18.888 1.811 1.00 0.00 C ATOM 1538 CD1 ILE A 98 10.801 -16.093 1.434 1.00 0.00 C ATOM 0 H ILE A 98 7.094 -19.810 2.184 1.00 0.00 H new ATOM 0 HA ILE A 98 6.753 -16.878 2.487 1.00 0.00 H new ATOM 0 HB ILE A 98 8.977 -17.372 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.069 -16.520 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.771 -15.467 1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.609 -18.724 1.927 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.216 -19.676 2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.325 -19.186 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 98 11.065 -15.228 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.053 -15.895 2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 98 11.355 -16.964 1.086 1.00 0.00 H new ATOM 1550 N TYR A 99 5.835 -16.821 0.178 1.00 0.00 N ATOM 1551 CA TYR A 99 5.360 -16.638 -1.206 1.00 0.00 C ATOM 1552 C TYR A 99 6.059 -15.434 -1.840 1.00 0.00 C ATOM 1553 O TYR A 99 6.308 -14.428 -1.169 1.00 0.00 O ATOM 1554 CB TYR A 99 3.828 -16.396 -1.264 1.00 0.00 C ATOM 1555 CG TYR A 99 2.955 -17.433 -0.541 1.00 0.00 C ATOM 1556 CD1 TYR A 99 3.306 -18.783 -0.469 1.00 0.00 C ATOM 1557 CD2 TYR A 99 1.757 -17.048 0.051 1.00 0.00 C ATOM 1558 CE1 TYR A 99 2.495 -19.702 0.176 1.00 0.00 C ATOM 1559 CE2 TYR A 99 0.944 -17.957 0.697 1.00 0.00 C ATOM 1560 CZ TYR A 99 1.315 -19.283 0.756 1.00 0.00 C ATOM 1561 OH TYR A 99 0.499 -20.193 1.392 1.00 0.00 O ATOM 0 H TYR A 99 5.392 -16.196 0.852 1.00 0.00 H new ATOM 0 HA TYR A 99 5.593 -17.553 -1.750 1.00 0.00 H new ATOM 0 HB2 TYR A 99 3.619 -15.414 -0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.525 -16.361 -2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.227 -19.116 -0.925 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.455 -16.012 0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.785 -20.741 0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.021 -17.631 1.154 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.290 -19.733 1.746 1.00 0.00 H new ATOM 1571 N GLU A 100 6.369 -15.554 -3.130 1.00 0.00 N ATOM 1572 CA GLU A 100 6.834 -14.448 -3.963 1.00 0.00 C ATOM 1573 C GLU A 100 5.745 -14.127 -4.993 1.00 0.00 C ATOM 1574 O GLU A 100 5.430 -14.947 -5.861 1.00 0.00 O ATOM 1575 CB GLU A 100 8.148 -14.840 -4.657 1.00 0.00 C ATOM 1576 CG GLU A 100 8.741 -13.754 -5.563 1.00 0.00 C ATOM 1577 CD GLU A 100 10.074 -14.184 -6.187 1.00 0.00 C ATOM 1578 OE1 GLU A 100 10.063 -14.921 -7.192 1.00 0.00 O ATOM 1579 OE2 GLU A 100 11.143 -13.803 -5.659 1.00 0.00 O ATOM 0 H GLU A 100 6.303 -16.438 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 100 7.025 -13.564 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.883 -15.100 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.976 -15.737 -5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.031 -13.517 -6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.890 -12.842 -4.985 1.00 0.00 H new ATOM 1586 N VAL A 101 5.173 -12.934 -4.853 1.00 0.00 N ATOM 1587 CA VAL A 101 4.054 -12.445 -5.666 1.00 0.00 C ATOM 1588 C VAL A 101 4.576 -11.542 -6.808 1.00 0.00 C ATOM 1589 O VAL A 101 5.520 -10.765 -6.634 1.00 0.00 O ATOM 1590 CB VAL A 101 3.015 -11.684 -4.761 1.00 0.00 C ATOM 1591 CG1 VAL A 101 1.771 -11.216 -5.564 1.00 0.00 C ATOM 1592 CG2 VAL A 101 2.589 -12.562 -3.555 1.00 0.00 C ATOM 0 H VAL A 101 5.481 -12.259 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 101 3.544 -13.295 -6.119 1.00 0.00 H new ATOM 0 HB VAL A 101 3.512 -10.790 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.082 -10.696 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.085 -10.541 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.271 -12.082 -5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.871 -12.016 -2.943 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.131 -13.482 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.466 -12.806 -2.955 1.00 0.00 H new ATOM 1602 N GLU A 102 3.943 -11.672 -7.974 1.00 0.00 N ATOM 1603 CA GLU A 102 4.366 -11.046 -9.236 1.00 0.00 C ATOM 1604 C GLU A 102 3.106 -10.589 -9.992 1.00 0.00 C ATOM 1605 O GLU A 102 2.359 -11.425 -10.514 1.00 0.00 O ATOM 1606 CB GLU A 102 5.174 -12.076 -10.083 1.00 0.00 C ATOM 1607 CG GLU A 102 5.729 -11.563 -11.428 1.00 0.00 C ATOM 1608 CD GLU A 102 6.753 -10.435 -11.267 1.00 0.00 C ATOM 1609 OE1 GLU A 102 7.934 -10.732 -10.990 1.00 0.00 O ATOM 1610 OE2 GLU A 102 6.392 -9.247 -11.403 1.00 0.00 O ATOM 0 H GLU A 102 3.096 -12.232 -8.074 1.00 0.00 H new ATOM 0 HA GLU A 102 5.007 -10.186 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.009 -12.434 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.533 -12.935 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.192 -12.392 -11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.902 -11.209 -12.044 1.00 0.00 H new ATOM 1617 N ASN A 103 2.857 -9.264 -9.996 1.00 0.00 N ATOM 1618 CA ASN A 103 1.676 -8.629 -10.643 1.00 0.00 C ATOM 1619 C ASN A 103 0.340 -9.122 -10.019 1.00 0.00 C ATOM 1620 O ASN A 103 -0.701 -9.159 -10.688 1.00 0.00 O ATOM 1621 CB ASN A 103 1.685 -8.846 -12.190 1.00 0.00 C ATOM 1622 CG ASN A 103 2.969 -8.346 -12.868 1.00 0.00 C ATOM 1623 OD1 ASN A 103 3.907 -9.253 -13.102 1.00 0.00 O flip ATOM 1624 ND2 ASN A 103 3.098 -7.168 -13.198 1.00 0.00 N flip ATOM 0 H ASN A 103 3.475 -8.590 -9.545 1.00 0.00 H new ATOM 0 HA ASN A 103 1.749 -7.558 -10.456 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.561 -9.908 -12.401 1.00 0.00 H new ATOM 0 HB3 ASN A 103 0.829 -8.332 -12.627 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.354 -6.499 -13.001 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.949 -6.861 -13.669 1.00 0.00 H new ATOM 1631 N GLY A 104 0.384 -9.454 -8.715 1.00 0.00 N ATOM 1632 CA GLY A 104 -0.793 -9.937 -7.977 1.00 0.00 C ATOM 1633 C GLY A 104 -0.981 -11.455 -8.061 1.00 0.00 C ATOM 1634 O GLY A 104 -1.978 -11.990 -7.559 1.00 0.00 O ATOM 0 H GLY A 104 1.231 -9.395 -8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.701 -9.647 -6.930 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.684 -9.446 -8.367 1.00 0.00 H new ATOM 1638 N ARG A 105 -0.016 -12.151 -8.699 1.00 0.00 N ATOM 1639 CA ARG A 105 -0.038 -13.619 -8.863 1.00 0.00 C ATOM 1640 C ARG A 105 1.271 -14.215 -8.345 1.00 0.00 C ATOM 1641 O ARG A 105 2.341 -13.758 -8.723 1.00 0.00 O ATOM 1642 CB ARG A 105 -0.215 -14.007 -10.360 1.00 0.00 C ATOM 1643 CG ARG A 105 -1.520 -13.510 -11.010 1.00 0.00 C ATOM 1644 CD ARG A 105 -2.768 -14.004 -10.264 1.00 0.00 C ATOM 1645 NE ARG A 105 -4.014 -13.618 -10.947 1.00 0.00 N ATOM 1646 CZ ARG A 105 -5.159 -13.277 -10.337 1.00 0.00 C ATOM 1647 NH1 ARG A 105 -5.225 -13.179 -9.010 1.00 0.00 N ATOM 1648 NH2 ARG A 105 -6.232 -13.017 -11.066 1.00 0.00 N ATOM 0 H ARG A 105 0.803 -11.708 -9.116 1.00 0.00 H new ATOM 0 HA ARG A 105 -0.880 -14.013 -8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.629 -13.611 -10.925 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -0.174 -15.093 -10.446 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -1.520 -12.420 -11.032 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.560 -13.850 -12.045 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -2.728 -15.089 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.769 -13.598 -9.253 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.006 -13.609 -11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -4.398 -13.364 -8.443 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.103 -12.919 -8.561 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -6.184 -13.077 -12.083 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -7.107 -12.757 -10.611 1.00 0.00 H new ATOM 1662 N ILE A 106 1.180 -15.273 -7.534 1.00 0.00 N ATOM 1663 CA ILE A 106 2.351 -15.920 -6.930 1.00 0.00 C ATOM 1664 C ILE A 106 3.179 -16.621 -8.009 1.00 0.00 C ATOM 1665 O ILE A 106 2.723 -17.585 -8.615 1.00 0.00 O ATOM 1666 CB ILE A 106 1.925 -16.936 -5.814 1.00 0.00 C ATOM 1667 CG1 ILE A 106 1.116 -16.200 -4.708 1.00 0.00 C ATOM 1668 CG2 ILE A 106 3.150 -17.679 -5.209 1.00 0.00 C ATOM 1669 CD1 ILE A 106 0.643 -17.094 -3.589 1.00 0.00 C ATOM 0 H ILE A 106 0.293 -15.706 -7.277 1.00 0.00 H new ATOM 0 HA ILE A 106 2.963 -15.149 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 106 1.290 -17.694 -6.272 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.735 -15.407 -4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.251 -15.720 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.811 -18.373 -4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.665 -18.231 -5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.834 -16.954 -4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.088 -16.503 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.004 -17.872 -3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.503 -17.554 -3.103 1.00 0.00 H new ATOM 1681 N ALA A 107 4.385 -16.097 -8.247 1.00 0.00 N ATOM 1682 CA ALA A 107 5.307 -16.624 -9.254 1.00 0.00 C ATOM 1683 C ALA A 107 5.987 -17.899 -8.742 1.00 0.00 C ATOM 1684 O ALA A 107 6.201 -18.848 -9.504 1.00 0.00 O ATOM 1685 CB ALA A 107 6.349 -15.550 -9.598 1.00 0.00 C ATOM 0 H ALA A 107 4.750 -15.290 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 107 4.751 -16.881 -10.155 1.00 0.00 H new ATOM 0 HB1 ALA A 107 7.038 -15.939 -10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.845 -14.667 -9.991 1.00 0.00 H new ATOM 0 HB3 ALA A 107 6.905 -15.281 -8.700 1.00 0.00 H new ATOM 1691 N LYS A 108 6.311 -17.908 -7.434 1.00 0.00 N ATOM 1692 CA LYS A 108 6.982 -19.041 -6.760 1.00 0.00 C ATOM 1693 C LYS A 108 6.581 -19.060 -5.285 1.00 0.00 C ATOM 1694 O LYS A 108 6.329 -18.009 -4.697 1.00 0.00 O ATOM 1695 CB LYS A 108 8.533 -18.942 -6.864 1.00 0.00 C ATOM 1696 CG LYS A 108 9.109 -19.165 -8.278 1.00 0.00 C ATOM 1697 CD LYS A 108 10.644 -19.079 -8.332 1.00 0.00 C ATOM 1698 CE LYS A 108 11.191 -19.286 -9.758 1.00 0.00 C ATOM 1699 NZ LYS A 108 12.675 -19.261 -9.792 1.00 0.00 N ATOM 0 H LYS A 108 6.114 -17.125 -6.810 1.00 0.00 H new ATOM 0 HA LYS A 108 6.668 -19.959 -7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 108 8.843 -17.958 -6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 108 8.975 -19.675 -6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 108 8.794 -20.144 -8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.687 -18.423 -8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.965 -18.106 -7.960 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.071 -19.831 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.835 -20.240 -10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.800 -18.508 -10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.002 -19.404 -10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.015 -18.342 -9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.049 -20.020 -9.187 1.00 0.00 H new ATOM 1713 N ALA A 109 6.558 -20.258 -4.696 1.00 0.00 N ATOM 1714 CA ALA A 109 6.202 -20.464 -3.286 1.00 0.00 C ATOM 1715 C ALA A 109 7.131 -21.524 -2.690 1.00 0.00 C ATOM 1716 O ALA A 109 7.409 -22.541 -3.321 1.00 0.00 O ATOM 1717 CB ALA A 109 4.729 -20.888 -3.159 1.00 0.00 C ATOM 0 H ALA A 109 6.788 -21.122 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 109 6.324 -19.531 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.482 -21.036 -2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.089 -20.110 -3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.570 -21.819 -3.704 1.00 0.00 H new ATOM 1723 N TRP A 110 7.632 -21.248 -1.486 1.00 0.00 N ATOM 1724 CA TRP A 110 8.537 -22.140 -0.743 1.00 0.00 C ATOM 1725 C TRP A 110 8.004 -22.236 0.697 1.00 0.00 C ATOM 1726 O TRP A 110 7.270 -21.353 1.128 1.00 0.00 O ATOM 1727 CB TRP A 110 9.994 -21.567 -0.750 1.00 0.00 C ATOM 1728 CG TRP A 110 10.451 -21.006 -2.088 1.00 0.00 C ATOM 1729 CD1 TRP A 110 10.953 -21.696 -3.149 1.00 0.00 C ATOM 1730 CD2 TRP A 110 10.435 -19.625 -2.491 1.00 0.00 C ATOM 1731 NE1 TRP A 110 11.238 -20.845 -4.180 1.00 0.00 N ATOM 1732 CE2 TRP A 110 10.943 -19.569 -3.800 1.00 0.00 C ATOM 1733 CE3 TRP A 110 10.053 -18.438 -1.869 1.00 0.00 C ATOM 1734 CZ2 TRP A 110 11.060 -18.377 -4.500 1.00 0.00 C ATOM 1735 CZ3 TRP A 110 10.174 -17.253 -2.559 1.00 0.00 C ATOM 1736 CH2 TRP A 110 10.675 -17.232 -3.866 1.00 0.00 C ATOM 0 H TRP A 110 7.420 -20.384 -0.987 1.00 0.00 H new ATOM 0 HA TRP A 110 8.570 -23.126 -1.206 1.00 0.00 H new ATOM 0 HB2 TRP A 110 10.064 -20.780 0.001 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.682 -22.357 -0.449 1.00 0.00 H new ATOM 0 HD1 TRP A 110 11.105 -22.765 -3.173 1.00 0.00 H new ATOM 0 HE1 TRP A 110 11.612 -21.120 -5.088 1.00 0.00 H new ATOM 0 HE3 TRP A 110 9.668 -18.448 -0.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 11.442 -18.356 -5.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 9.879 -16.328 -2.086 1.00 0.00 H new ATOM 0 HH2 TRP A 110 10.759 -16.288 -4.384 1.00 0.00 H new ATOM 1747 N PHE A 111 8.323 -23.315 1.428 1.00 0.00 N ATOM 1748 CA PHE A 111 7.977 -23.403 2.865 1.00 0.00 C ATOM 1749 C PHE A 111 9.058 -24.162 3.644 1.00 0.00 C ATOM 1750 O PHE A 111 9.722 -25.051 3.094 1.00 0.00 O ATOM 1751 CB PHE A 111 6.570 -24.028 3.092 1.00 0.00 C ATOM 1752 CG PHE A 111 6.464 -25.530 2.837 1.00 0.00 C ATOM 1753 CD1 PHE A 111 6.250 -26.035 1.555 1.00 0.00 C ATOM 1754 CD2 PHE A 111 6.583 -26.440 3.894 1.00 0.00 C ATOM 1755 CE1 PHE A 111 6.153 -27.395 1.338 1.00 0.00 C ATOM 1756 CE2 PHE A 111 6.488 -27.794 3.680 1.00 0.00 C ATOM 1757 CZ PHE A 111 6.276 -28.276 2.400 1.00 0.00 C ATOM 0 H PHE A 111 8.813 -24.130 1.060 1.00 0.00 H new ATOM 0 HA PHE A 111 7.935 -22.384 3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 111 6.266 -23.830 4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.857 -23.517 2.445 1.00 0.00 H new ATOM 0 HD1 PHE A 111 6.159 -25.354 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 111 6.752 -26.072 4.895 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.981 -27.772 0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 111 6.579 -28.481 4.509 1.00 0.00 H new ATOM 0 HZ PHE A 111 6.206 -29.340 2.229 1.00 0.00 H new ATOM 1767 N LYS A 112 9.230 -23.775 4.914 1.00 0.00 N ATOM 1768 CA LYS A 112 10.097 -24.467 5.877 1.00 0.00 C ATOM 1769 C LYS A 112 9.278 -24.794 7.136 1.00 0.00 C ATOM 1770 O LYS A 112 8.599 -23.920 7.671 1.00 0.00 O ATOM 1771 CB LYS A 112 11.338 -23.595 6.223 1.00 0.00 C ATOM 1772 CG LYS A 112 11.016 -22.198 6.806 1.00 0.00 C ATOM 1773 CD LYS A 112 12.280 -21.375 7.158 1.00 0.00 C ATOM 1774 CE LYS A 112 13.121 -21.034 5.918 1.00 0.00 C ATOM 1775 NZ LYS A 112 12.328 -20.285 4.904 1.00 0.00 N ATOM 0 H LYS A 112 8.763 -22.958 5.308 1.00 0.00 H new ATOM 0 HA LYS A 112 10.466 -25.395 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.955 -24.137 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.935 -23.466 5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.417 -21.641 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.407 -22.317 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.982 -20.453 7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.891 -21.937 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.985 -20.440 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.504 -21.953 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.967 -19.897 4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.645 -20.927 4.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.818 -19.507 5.368 1.00 0.00 H new ATOM 1789 N ILE A 113 9.322 -26.054 7.603 1.00 0.00 N ATOM 1790 CA ILE A 113 8.587 -26.473 8.808 1.00 0.00 C ATOM 1791 C ILE A 113 9.487 -26.294 10.039 1.00 0.00 C ATOM 1792 O ILE A 113 10.651 -26.712 10.031 1.00 0.00 O ATOM 1793 CB ILE A 113 8.065 -27.955 8.686 1.00 0.00 C ATOM 1794 CG1 ILE A 113 6.977 -28.039 7.565 1.00 0.00 C ATOM 1795 CG2 ILE A 113 7.492 -28.485 10.035 1.00 0.00 C ATOM 1796 CD1 ILE A 113 6.522 -29.445 7.214 1.00 0.00 C ATOM 0 H ILE A 113 9.860 -26.801 7.163 1.00 0.00 H new ATOM 0 HA ILE A 113 7.705 -25.842 8.918 1.00 0.00 H new ATOM 0 HB ILE A 113 8.913 -28.588 8.424 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.108 -27.460 7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.368 -27.565 6.665 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.144 -29.510 9.905 1.00 0.00 H new ATOM 0 HG22 ILE A 113 8.272 -28.461 10.796 1.00 0.00 H new ATOM 0 HG23 ILE A 113 6.659 -27.856 10.349 1.00 0.00 H new ATOM 0 HD11 ILE A 113 5.768 -29.398 6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.375 -30.027 6.864 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.096 -29.921 8.097 1.00 0.00 H new ATOM 1808 N GLY A 114 8.940 -25.620 11.068 1.00 0.00 N ATOM 1809 CA GLY A 114 9.662 -25.343 12.315 1.00 0.00 C ATOM 1810 C GLY A 114 10.066 -26.602 13.082 1.00 0.00 C ATOM 1811 O GLY A 114 11.217 -27.048 12.986 1.00 0.00 O ATOM 0 H GLY A 114 7.988 -25.255 11.054 1.00 0.00 H new ATOM 0 HA2 GLY A 114 10.557 -24.765 12.086 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.037 -24.722 12.957 1.00 0.00 H new ATOM 1815 N GLU A 115 9.114 -27.186 13.827 1.00 0.00 N ATOM 1816 CA GLU A 115 9.359 -28.408 14.618 1.00 0.00 C ATOM 1817 C GLU A 115 8.022 -29.152 14.860 1.00 0.00 C ATOM 1818 O GLU A 115 6.953 -28.540 14.731 1.00 0.00 O ATOM 1819 CB GLU A 115 10.054 -28.060 15.983 1.00 0.00 C ATOM 1820 CG GLU A 115 9.098 -27.607 17.103 1.00 0.00 C ATOM 1821 CD GLU A 115 9.820 -27.249 18.412 1.00 0.00 C ATOM 1822 OE1 GLU A 115 10.108 -28.166 19.214 1.00 0.00 O ATOM 1823 OE2 GLU A 115 10.116 -26.053 18.640 1.00 0.00 O ATOM 0 H GLU A 115 8.161 -26.831 13.900 1.00 0.00 H new ATOM 0 HA GLU A 115 10.030 -29.059 14.058 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.604 -28.936 16.327 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.786 -27.272 15.810 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.532 -26.741 16.760 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.377 -28.401 17.299 1.00 0.00 H new ATOM 1830 N PRO A 116 8.062 -30.477 15.219 1.00 0.00 N ATOM 1831 CA PRO A 116 6.856 -31.219 15.664 1.00 0.00 C ATOM 1832 C PRO A 116 6.397 -30.797 17.088 1.00 0.00 C ATOM 1833 O PRO A 116 7.167 -30.897 18.049 1.00 0.00 O ATOM 1834 CB PRO A 116 7.330 -32.690 15.610 1.00 0.00 C ATOM 1835 CG PRO A 116 8.805 -32.628 15.869 1.00 0.00 C ATOM 1836 CD PRO A 116 9.271 -31.368 15.178 1.00 0.00 C ATOM 0 HA PRO A 116 5.979 -31.028 15.045 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.822 -33.297 16.360 1.00 0.00 H new ATOM 0 HB3 PRO A 116 7.117 -33.138 14.640 1.00 0.00 H new ATOM 0 HG2 PRO A 116 9.017 -32.593 16.938 1.00 0.00 H new ATOM 0 HG3 PRO A 116 9.313 -33.507 15.472 1.00 0.00 H new ATOM 0 HD2 PRO A 116 10.119 -30.918 15.694 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.589 -31.566 14.154 1.00 0.00 H new ATOM 1844 N ARG A 117 5.142 -30.301 17.213 1.00 0.00 N ATOM 1845 CA ARG A 117 4.582 -29.802 18.493 1.00 0.00 C ATOM 1846 C ARG A 117 3.294 -30.565 18.857 1.00 0.00 C ATOM 1847 O ARG A 117 2.585 -31.063 17.971 1.00 0.00 O ATOM 1848 CB ARG A 117 4.282 -28.281 18.402 1.00 0.00 C ATOM 1849 CG ARG A 117 5.468 -27.419 17.937 1.00 0.00 C ATOM 1850 CD ARG A 117 5.147 -25.915 17.893 1.00 0.00 C ATOM 1851 NE ARG A 117 6.259 -25.155 17.297 1.00 0.00 N ATOM 1852 CZ ARG A 117 7.180 -24.437 17.957 1.00 0.00 C ATOM 1853 NH1 ARG A 117 7.152 -24.340 19.278 1.00 0.00 N ATOM 1854 NH2 ARG A 117 8.145 -23.834 17.271 1.00 0.00 N ATOM 0 H ARG A 117 4.490 -30.236 16.431 1.00 0.00 H new ATOM 0 HA ARG A 117 5.324 -29.970 19.273 1.00 0.00 H new ATOM 0 HB2 ARG A 117 3.449 -28.129 17.716 1.00 0.00 H new ATOM 0 HB3 ARG A 117 3.957 -27.929 19.381 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.312 -27.584 18.606 1.00 0.00 H new ATOM 0 HG3 ARG A 117 5.779 -27.746 16.945 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.238 -25.750 17.314 1.00 0.00 H new ATOM 0 HD3 ARG A 117 4.953 -25.551 18.902 1.00 0.00 H new ATOM 0 HE ARG A 117 6.337 -25.177 16.280 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.422 -24.815 19.809 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.860 -23.790 19.764 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.179 -23.920 16.255 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.852 -23.285 17.760 1.00 0.00 H new ATOM 1868 N ILE A 118 3.000 -30.629 20.175 1.00 0.00 N ATOM 1869 CA ILE A 118 1.851 -31.368 20.745 1.00 0.00 C ATOM 1870 C ILE A 118 1.162 -30.503 21.831 1.00 0.00 C ATOM 1871 O ILE A 118 1.842 -29.827 22.613 1.00 0.00 O ATOM 1872 CB ILE A 118 2.318 -32.748 21.368 1.00 0.00 C ATOM 1873 CG1 ILE A 118 2.910 -33.694 20.283 1.00 0.00 C ATOM 1874 CG2 ILE A 118 1.177 -33.463 22.123 1.00 0.00 C ATOM 1875 CD1 ILE A 118 1.909 -34.130 19.226 1.00 0.00 C ATOM 0 H ILE A 118 3.564 -30.161 20.884 1.00 0.00 H new ATOM 0 HA ILE A 118 1.143 -31.579 19.944 1.00 0.00 H new ATOM 0 HB ILE A 118 3.101 -32.508 22.088 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.743 -33.190 19.793 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.316 -34.580 20.771 1.00 0.00 H new ATOM 0 HG21 ILE A 118 1.545 -34.404 22.532 1.00 0.00 H new ATOM 0 HG22 ILE A 118 0.824 -32.828 22.935 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.355 -33.663 21.435 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.401 -34.787 18.508 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.087 -34.664 19.702 1.00 0.00 H new ATOM 0 HD13 ILE A 118 1.521 -33.253 18.709 1.00 0.00 H new ATOM 1887 N VAL A 119 -0.191 -30.528 21.854 1.00 0.00 N ATOM 1888 CA VAL A 119 -1.012 -29.849 22.896 1.00 0.00 C ATOM 1889 C VAL A 119 -0.779 -30.486 24.290 1.00 0.00 C ATOM 1890 O VAL A 119 -0.657 -29.776 25.289 1.00 0.00 O ATOM 1891 CB VAL A 119 -2.556 -29.871 22.545 1.00 0.00 C ATOM 1892 CG1 VAL A 119 -3.426 -29.258 23.681 1.00 0.00 C ATOM 1893 CG2 VAL A 119 -2.836 -29.141 21.208 1.00 0.00 C ATOM 0 H VAL A 119 -0.748 -31.018 21.154 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.688 -28.808 22.922 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.837 -30.919 22.440 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.477 -29.295 23.395 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.280 -29.827 24.599 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.131 -28.222 23.846 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.904 -29.172 20.993 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.512 -28.103 21.285 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.289 -29.633 20.403 1.00 0.00 H new ATOM 1903 N SER A 120 -0.709 -31.832 24.326 1.00 0.00 N ATOM 1904 CA SER A 120 -0.476 -32.612 25.567 1.00 0.00 C ATOM 1905 C SER A 120 0.908 -32.310 26.193 1.00 0.00 C ATOM 1906 O SER A 120 1.092 -32.474 27.404 1.00 0.00 O ATOM 1907 CB SER A 120 -0.625 -34.129 25.274 1.00 0.00 C ATOM 1908 OG SER A 120 -0.427 -34.924 26.431 1.00 0.00 O ATOM 0 H SER A 120 -0.812 -32.414 23.495 1.00 0.00 H new ATOM 0 HA SER A 120 -1.228 -32.310 26.296 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.618 -34.322 24.869 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.094 -34.421 24.508 1.00 0.00 H new ATOM 0 HG SER A 120 -0.532 -35.870 26.199 1.00 0.00 H new ATOM 1914 N GLN A 121 1.879 -31.855 25.367 1.00 0.00 N ATOM 1915 CA GLN A 121 3.251 -31.527 25.835 1.00 0.00 C ATOM 1916 C GLN A 121 3.440 -29.992 25.933 1.00 0.00 C ATOM 1917 O GLN A 121 4.572 -29.496 25.967 1.00 0.00 O ATOM 1918 CB GLN A 121 4.312 -32.162 24.881 1.00 0.00 C ATOM 1919 CG GLN A 121 4.100 -33.664 24.571 1.00 0.00 C ATOM 1920 CD GLN A 121 3.975 -34.565 25.808 1.00 0.00 C ATOM 1921 OE1 GLN A 121 4.572 -34.307 26.857 1.00 0.00 O ATOM 1922 NE2 GLN A 121 3.199 -35.632 25.686 1.00 0.00 N ATOM 0 H GLN A 121 1.739 -31.705 24.368 1.00 0.00 H new ATOM 0 HA GLN A 121 3.392 -31.947 26.831 1.00 0.00 H new ATOM 0 HB2 GLN A 121 4.310 -31.609 23.942 1.00 0.00 H new ATOM 0 HB3 GLN A 121 5.299 -32.034 25.324 1.00 0.00 H new ATOM 0 HG2 GLN A 121 3.199 -33.772 23.967 1.00 0.00 H new ATOM 0 HG3 GLN A 121 4.934 -34.017 23.965 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.720 -35.816 24.805 1.00 0.00 H new ATOM 0 HE22 GLN A 121 3.081 -36.269 26.473 1.00 0.00 H new ATOM 1931 N LYS A 122 2.314 -29.255 26.008 1.00 0.00 N ATOM 1932 CA LYS A 122 2.293 -27.776 26.079 1.00 0.00 C ATOM 1933 C LYS A 122 1.164 -27.309 27.019 1.00 0.00 C ATOM 1934 O LYS A 122 0.175 -28.029 27.223 1.00 0.00 O ATOM 1935 CB LYS A 122 2.115 -27.185 24.645 1.00 0.00 C ATOM 1936 CG LYS A 122 1.860 -25.658 24.571 1.00 0.00 C ATOM 1937 CD LYS A 122 1.758 -25.081 23.130 1.00 0.00 C ATOM 1938 CE LYS A 122 0.672 -25.743 22.242 1.00 0.00 C ATOM 1939 NZ LYS A 122 1.121 -27.039 21.664 1.00 0.00 N ATOM 0 H LYS A 122 1.383 -29.672 26.021 1.00 0.00 H new ATOM 0 HA LYS A 122 3.238 -27.416 26.484 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.009 -27.413 24.065 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.283 -27.697 24.162 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.936 -25.432 25.104 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.665 -25.144 25.097 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.553 -24.012 23.195 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.725 -25.191 22.640 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.228 -25.906 22.835 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.403 -25.062 21.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.790 -27.114 20.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 2.160 -27.087 21.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.728 -27.823 22.223 1.00 0.00 H new ATOM 1953 N SER A 123 1.343 -26.125 27.629 1.00 0.00 N ATOM 1954 CA SER A 123 0.297 -25.463 28.417 1.00 0.00 C ATOM 1955 C SER A 123 -0.786 -24.873 27.460 1.00 0.00 C ATOM 1956 O SER A 123 -0.494 -23.885 26.749 1.00 0.00 O ATOM 1957 CB SER A 123 0.938 -24.379 29.324 1.00 0.00 C ATOM 1958 OG SER A 123 1.788 -23.515 28.585 1.00 0.00 O ATOM 1959 OXT SER A 123 -1.915 -25.414 27.415 1.00 0.00 O ATOM 0 H SER A 123 2.218 -25.602 27.588 1.00 0.00 H new ATOM 0 HA SER A 123 -0.200 -26.182 29.068 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.153 -23.795 29.804 1.00 0.00 H new ATOM 0 HB3 SER A 123 1.509 -24.860 30.119 1.00 0.00 H new ATOM 0 HG SER A 123 1.368 -23.299 27.726 1.00 0.00 H new TER 1965 SER A 123