USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 662 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 150 ZNZN :(H bumps) USER MOD Set 1.1: A 11 ASN : amide:sc= 0.0328 K(o=1.3,f=-0.013) USER MOD Set 1.2: A 31 THR OG1 : rot -19:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0535 (180deg=-0.388) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0109 (180deg=-0.235) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.065) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 10 GLN : amide:sc= 1.21 K(o=1.2,f=-0.58) USER MOD Single : A 15 TYR OH : rot 169:sc= 1.22 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -148:sc= -0.053 (180deg=-1.75!) USER MOD Single : A 32 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.036) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 MET CE :methyl 135:sc= -0.205 (180deg=-1.12) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -123:sc= -0.0491 USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= -0.0148 (180deg=-0.151) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -64:sc= -1.03 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -82:sc= 1.33 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 68 GLN : amide:sc= -0.383 K(o=-0.38,f=-2.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.484 USER MOD Single : A 70 ASN : amide:sc= -0.714 X(o=-0.71,f=-0.71) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0377 USER MOD Single : A 74 CYS SG : rot -157:sc= 1.27 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc=-0.00267 K(o=-0.0027,f=-0.77) USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.05) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.413 K(o=-0.41,f=0.11) USER MOD Single : A 85 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-3.3!) USER MOD Single : A 86 HIS : no HD1:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.534 K(o=-0.53,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.353 -17.259 3.141 1.00 0.00 N ATOM 2 CA MET A 1 -4.369 -15.956 2.444 1.00 0.00 C ATOM 3 C MET A 1 -3.929 -16.121 0.995 1.00 0.00 C ATOM 4 O MET A 1 -2.735 -16.147 0.695 1.00 0.00 O ATOM 5 CB MET A 1 -3.445 -14.958 3.152 1.00 0.00 C ATOM 6 CG MET A 1 -3.885 -14.605 4.564 1.00 0.00 C ATOM 7 SD MET A 1 -2.700 -13.551 5.422 1.00 0.00 S ATOM 8 CE MET A 1 -2.735 -12.077 4.400 1.00 0.00 C ATOM 0 H1 MET A 1 -4.886 -17.183 4.031 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.791 -17.982 2.535 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.370 -17.530 3.348 1.00 0.00 H new ATOM 0 HA MET A 1 -5.389 -15.573 2.464 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.438 -15.374 3.189 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.391 -14.045 2.560 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.850 -14.100 4.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.029 -15.522 5.135 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.269 -11.251 4.937 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.189 -12.262 3.475 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.768 -11.821 4.166 1.00 0.00 H new ATOM 20 N ALA A 2 -4.900 -16.262 0.106 1.00 0.00 N ATOM 21 CA ALA A 2 -4.629 -16.367 -1.315 1.00 0.00 C ATOM 22 C ALA A 2 -5.361 -15.263 -2.064 1.00 0.00 C ATOM 23 O ALA A 2 -6.595 -15.269 -2.124 1.00 0.00 O ATOM 24 CB ALA A 2 -5.035 -17.738 -1.840 1.00 0.00 C ATOM 0 H ALA A 2 -5.890 -16.306 0.349 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.558 -16.250 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.823 -17.796 -2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.471 -18.510 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.101 -17.891 -1.673 1.00 0.00 H new ATOM 30 N ASP A 3 -4.586 -14.308 -2.588 1.00 0.00 N ATOM 31 CA ASP A 3 -5.105 -13.151 -3.336 1.00 0.00 C ATOM 32 C ASP A 3 -6.322 -12.521 -2.653 1.00 0.00 C ATOM 33 O ASP A 3 -7.307 -12.170 -3.304 1.00 0.00 O ATOM 34 CB ASP A 3 -5.406 -13.503 -4.812 1.00 0.00 C ATOM 35 CG ASP A 3 -6.434 -14.605 -5.015 1.00 0.00 C ATOM 36 OD1 ASP A 3 -7.648 -14.304 -5.042 1.00 0.00 O ATOM 37 OD2 ASP A 3 -6.030 -15.777 -5.202 1.00 0.00 O ATOM 0 H ASP A 3 -3.569 -14.314 -2.506 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.313 -12.402 -3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.755 -12.604 -5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.476 -13.802 -5.295 1.00 0.00 H new ATOM 42 N TYR A 4 -6.226 -12.358 -1.336 1.00 0.00 N ATOM 43 CA TYR A 4 -7.286 -11.731 -0.553 1.00 0.00 C ATOM 44 C TYR A 4 -7.310 -10.229 -0.825 1.00 0.00 C ATOM 45 O TYR A 4 -6.260 -9.619 -1.027 1.00 0.00 O ATOM 46 CB TYR A 4 -7.066 -12.010 0.943 1.00 0.00 C ATOM 47 CG TYR A 4 -8.132 -11.434 1.853 1.00 0.00 C ATOM 48 CD1 TYR A 4 -9.370 -12.050 1.984 1.00 0.00 C ATOM 49 CD2 TYR A 4 -7.893 -10.277 2.588 1.00 0.00 C ATOM 50 CE1 TYR A 4 -10.343 -11.528 2.817 1.00 0.00 C ATOM 51 CE2 TYR A 4 -8.858 -9.751 3.423 1.00 0.00 C ATOM 52 CZ TYR A 4 -10.082 -10.379 3.536 1.00 0.00 C ATOM 53 OH TYR A 4 -11.045 -9.857 4.371 1.00 0.00 O ATOM 0 H TYR A 4 -5.419 -12.654 -0.786 1.00 0.00 H new ATOM 0 HA TYR A 4 -8.249 -12.151 -0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.020 -13.088 1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.098 -11.605 1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.576 -12.951 1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.937 -9.782 2.504 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.302 -12.017 2.904 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -8.656 -8.852 3.986 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.700 -9.048 4.803 1.00 0.00 H new ATOM 63 N ASN A 5 -8.505 -9.643 -0.839 1.00 0.00 N ATOM 64 CA ASN A 5 -8.663 -8.225 -1.150 1.00 0.00 C ATOM 65 C ASN A 5 -7.883 -7.349 -0.174 1.00 0.00 C ATOM 66 O ASN A 5 -8.048 -7.439 1.043 1.00 0.00 O ATOM 67 CB ASN A 5 -10.151 -7.826 -1.166 1.00 0.00 C ATOM 68 CG ASN A 5 -10.854 -7.996 0.174 1.00 0.00 C ATOM 69 OD1 ASN A 5 -11.381 -9.066 0.481 1.00 0.00 O ATOM 70 ND2 ASN A 5 -10.886 -6.937 0.972 1.00 0.00 N ATOM 0 H ASN A 5 -9.379 -10.129 -0.638 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.253 -8.062 -2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.234 -6.785 -1.478 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.669 -8.425 -1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.359 -6.992 1.874 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.438 -6.067 0.683 1.00 0.00 H new ATOM 77 N ILE A 6 -7.015 -6.515 -0.718 1.00 0.00 N ATOM 78 CA ILE A 6 -6.253 -5.583 0.093 1.00 0.00 C ATOM 79 C ILE A 6 -6.634 -4.151 -0.260 1.00 0.00 C ATOM 80 O ILE A 6 -7.132 -3.889 -1.359 1.00 0.00 O ATOM 81 CB ILE A 6 -4.729 -5.770 -0.087 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.333 -5.593 -1.556 1.00 0.00 C ATOM 83 CG2 ILE A 6 -4.301 -7.137 0.430 1.00 0.00 C ATOM 84 CD1 ILE A 6 -2.837 -5.633 -1.791 1.00 0.00 C ATOM 0 H ILE A 6 -6.820 -6.464 -1.718 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.495 -5.787 1.136 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.213 -5.006 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.806 -6.376 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.723 -4.641 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.226 -7.256 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.547 -7.219 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.823 -7.916 -0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.632 -5.501 -2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.359 -4.832 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.443 -6.594 -1.462 1.00 0.00 H new ATOM 96 N PRO A 7 -6.436 -3.208 0.672 1.00 0.00 N ATOM 97 CA PRO A 7 -6.721 -1.795 0.428 1.00 0.00 C ATOM 98 C PRO A 7 -5.896 -1.248 -0.732 1.00 0.00 C ATOM 99 O PRO A 7 -4.710 -1.546 -0.858 1.00 0.00 O ATOM 100 CB PRO A 7 -6.336 -1.104 1.744 1.00 0.00 C ATOM 101 CG PRO A 7 -5.459 -2.077 2.455 1.00 0.00 C ATOM 102 CD PRO A 7 -5.925 -3.439 2.032 1.00 0.00 C ATOM 0 HA PRO A 7 -7.762 -1.629 0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.813 -0.166 1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.219 -0.865 2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.412 -1.924 2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.537 -1.956 3.535 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.111 -4.164 2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.701 -3.824 2.694 1.00 0.00 H new ATOM 110 N HIS A 8 -6.526 -0.467 -1.592 1.00 0.00 N ATOM 111 CA HIS A 8 -5.838 0.087 -2.748 1.00 0.00 C ATOM 112 C HIS A 8 -5.604 1.573 -2.552 1.00 0.00 C ATOM 113 O HIS A 8 -6.323 2.225 -1.796 1.00 0.00 O ATOM 114 CB HIS A 8 -6.635 -0.167 -4.031 1.00 0.00 C ATOM 115 CG HIS A 8 -6.850 -1.620 -4.326 1.00 0.00 C ATOM 116 ND1 HIS A 8 -8.033 -2.118 -4.823 1.00 0.00 N ATOM 117 CD2 HIS A 8 -6.024 -2.688 -4.190 1.00 0.00 C ATOM 118 CE1 HIS A 8 -7.930 -3.423 -4.978 1.00 0.00 C ATOM 119 NE2 HIS A 8 -6.720 -3.799 -4.602 1.00 0.00 N ATOM 0 H HIS A 8 -7.508 -0.202 -1.514 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.873 -0.411 -2.847 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.604 0.326 -3.951 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.112 0.292 -4.870 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.008 -2.668 -3.825 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.705 -4.076 -5.350 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -6.363 -4.754 -4.615 1.00 0.00 H new ATOM 128 N PHE A 9 -4.604 2.104 -3.227 1.00 0.00 N ATOM 129 CA PHE A 9 -4.241 3.501 -3.073 1.00 0.00 C ATOM 130 C PHE A 9 -4.443 4.232 -4.397 1.00 0.00 C ATOM 131 O PHE A 9 -4.513 3.604 -5.451 1.00 0.00 O ATOM 132 CB PHE A 9 -2.783 3.606 -2.612 1.00 0.00 C ATOM 133 CG PHE A 9 -2.481 4.827 -1.793 1.00 0.00 C ATOM 134 CD1 PHE A 9 -2.666 4.811 -0.421 1.00 0.00 C ATOM 135 CD2 PHE A 9 -2.006 5.983 -2.389 1.00 0.00 C ATOM 136 CE1 PHE A 9 -2.385 5.926 0.344 1.00 0.00 C ATOM 137 CE2 PHE A 9 -1.723 7.100 -1.630 1.00 0.00 C ATOM 138 CZ PHE A 9 -1.912 7.073 -0.262 1.00 0.00 C ATOM 0 H PHE A 9 -4.026 1.588 -3.890 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.878 3.965 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.534 2.720 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.136 3.602 -3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.035 3.915 0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.856 6.011 -3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.535 5.901 1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.353 7.996 -2.106 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.690 7.947 0.332 1.00 0.00 H new ATOM 148 N GLN A 10 -4.557 5.548 -4.338 1.00 0.00 N ATOM 149 CA GLN A 10 -4.718 6.358 -5.537 1.00 0.00 C ATOM 150 C GLN A 10 -3.685 7.479 -5.545 1.00 0.00 C ATOM 151 O GLN A 10 -3.378 8.045 -4.498 1.00 0.00 O ATOM 152 CB GLN A 10 -6.136 6.935 -5.613 1.00 0.00 C ATOM 153 CG GLN A 10 -6.571 7.676 -4.353 1.00 0.00 C ATOM 154 CD GLN A 10 -7.923 8.348 -4.505 1.00 0.00 C ATOM 155 OE1 GLN A 10 -8.782 7.884 -5.254 1.00 0.00 O ATOM 156 NE2 GLN A 10 -8.124 9.446 -3.793 1.00 0.00 N ATOM 0 H GLN A 10 -4.541 6.082 -3.469 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.562 5.726 -6.411 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.195 7.616 -6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.838 6.124 -5.806 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.610 6.975 -3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.823 8.428 -4.102 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.387 9.800 -3.183 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.016 9.938 -3.855 1.00 0.00 H new ATOM 165 N ASN A 11 -3.135 7.791 -6.713 1.00 0.00 N ATOM 166 CA ASN A 11 -2.110 8.821 -6.802 1.00 0.00 C ATOM 167 C ASN A 11 -2.552 9.970 -7.705 1.00 0.00 C ATOM 168 O ASN A 11 -2.731 9.809 -8.914 1.00 0.00 O ATOM 169 CB ASN A 11 -0.765 8.223 -7.270 1.00 0.00 C ATOM 170 CG ASN A 11 -0.774 7.720 -8.706 1.00 0.00 C ATOM 171 OD1 ASN A 11 -1.231 6.613 -8.988 1.00 0.00 O ATOM 172 ND2 ASN A 11 -0.233 8.517 -9.622 1.00 0.00 N ATOM 0 H ASN A 11 -3.378 7.351 -7.601 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.963 9.231 -5.803 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.012 8.980 -7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.497 7.399 -6.609 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.187 8.217 -10.596 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.136 9.429 -9.351 1.00 0.00 H new ATOM 179 N ASP A 12 -2.767 11.128 -7.100 1.00 0.00 N ATOM 180 CA ASP A 12 -3.108 12.331 -7.849 1.00 0.00 C ATOM 181 C ASP A 12 -1.843 13.064 -8.275 1.00 0.00 C ATOM 182 O ASP A 12 -1.505 13.121 -9.457 1.00 0.00 O ATOM 183 CB ASP A 12 -3.997 13.249 -7.009 1.00 0.00 C ATOM 184 CG ASP A 12 -4.289 14.566 -7.697 1.00 0.00 C ATOM 185 OD1 ASP A 12 -5.182 14.602 -8.569 1.00 0.00 O ATOM 186 OD2 ASP A 12 -3.622 15.568 -7.375 1.00 0.00 O ATOM 0 H ASP A 12 -2.712 11.262 -6.090 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.659 12.039 -8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.936 12.740 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.512 13.443 -6.052 1.00 0.00 H new ATOM 191 N LEU A 13 -1.137 13.608 -7.292 1.00 0.00 N ATOM 192 CA LEU A 13 0.107 14.326 -7.538 1.00 0.00 C ATOM 193 C LEU A 13 1.307 13.404 -7.327 1.00 0.00 C ATOM 194 O LEU A 13 2.447 13.768 -7.624 1.00 0.00 O ATOM 195 CB LEU A 13 0.223 15.544 -6.606 1.00 0.00 C ATOM 196 CG LEU A 13 0.289 15.232 -5.103 1.00 0.00 C ATOM 197 CD1 LEU A 13 0.856 16.417 -4.346 1.00 0.00 C ATOM 198 CD2 LEU A 13 -1.087 14.879 -4.552 1.00 0.00 C ATOM 0 H LEU A 13 -1.408 13.565 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 13 0.099 14.671 -8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.116 16.104 -6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.631 16.197 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 13 0.943 14.371 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.897 16.183 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.861 16.634 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.218 17.287 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.008 14.663 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.766 15.718 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.473 14.002 -5.072 1.00 0.00 H new ATOM 210 N GLY A 14 1.037 12.212 -6.813 1.00 0.00 N ATOM 211 CA GLY A 14 2.103 11.279 -6.504 1.00 0.00 C ATOM 212 C GLY A 14 2.387 11.233 -5.020 1.00 0.00 C ATOM 213 O GLY A 14 2.278 12.247 -4.333 1.00 0.00 O ATOM 0 H GLY A 14 0.098 11.874 -6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.829 10.284 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.007 11.568 -7.040 1.00 0.00 H new ATOM 217 N TYR A 15 2.726 10.055 -4.520 1.00 0.00 N ATOM 218 CA TYR A 15 3.006 9.878 -3.103 1.00 0.00 C ATOM 219 C TYR A 15 4.346 9.181 -2.937 1.00 0.00 C ATOM 220 O TYR A 15 4.483 7.994 -3.243 1.00 0.00 O ATOM 221 CB TYR A 15 1.898 9.063 -2.426 1.00 0.00 C ATOM 222 CG TYR A 15 0.529 9.711 -2.484 1.00 0.00 C ATOM 223 CD1 TYR A 15 -0.199 9.731 -3.666 1.00 0.00 C ATOM 224 CD2 TYR A 15 -0.033 10.303 -1.358 1.00 0.00 C ATOM 225 CE1 TYR A 15 -1.443 10.321 -3.728 1.00 0.00 C ATOM 226 CE2 TYR A 15 -1.283 10.893 -1.413 1.00 0.00 C ATOM 227 CZ TYR A 15 -1.982 10.897 -2.603 1.00 0.00 C ATOM 228 OH TYR A 15 -3.221 11.483 -2.674 1.00 0.00 O ATOM 0 H TYR A 15 2.814 9.205 -5.076 1.00 0.00 H new ATOM 0 HA TYR A 15 3.044 10.857 -2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.844 8.082 -2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.167 8.901 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.217 9.276 -4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.514 10.302 -0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.992 10.331 -4.658 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.709 11.347 -0.531 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.537 11.691 -1.770 1.00 0.00 H new ATOM 238 N LYS A 16 5.336 9.925 -2.475 1.00 0.00 N ATOM 239 CA LYS A 16 6.692 9.417 -2.397 1.00 0.00 C ATOM 240 C LYS A 16 7.061 9.028 -0.969 1.00 0.00 C ATOM 241 O LYS A 16 8.136 8.474 -0.727 1.00 0.00 O ATOM 242 CB LYS A 16 7.669 10.447 -2.967 1.00 0.00 C ATOM 243 CG LYS A 16 7.358 10.794 -4.416 1.00 0.00 C ATOM 244 CD LYS A 16 8.425 11.672 -5.055 1.00 0.00 C ATOM 245 CE LYS A 16 8.071 11.981 -6.502 1.00 0.00 C ATOM 246 NZ LYS A 16 9.157 12.703 -7.212 1.00 0.00 N ATOM 0 H LYS A 16 5.224 10.885 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 16 6.756 8.510 -2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.633 11.353 -2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.685 10.058 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.259 9.874 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.397 11.305 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.523 12.601 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.391 11.169 -5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.855 11.050 -7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.162 12.581 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.866 12.890 -8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.347 13.605 -6.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.019 12.121 -7.211 1.00 0.00 H new ATOM 260 N ILE A 17 6.166 9.312 -0.031 1.00 0.00 N ATOM 261 CA ILE A 17 6.319 8.853 1.345 1.00 0.00 C ATOM 262 C ILE A 17 4.951 8.492 1.920 1.00 0.00 C ATOM 263 O ILE A 17 4.120 9.369 2.147 1.00 0.00 O ATOM 264 CB ILE A 17 6.972 9.922 2.255 1.00 0.00 C ATOM 265 CG1 ILE A 17 8.351 10.329 1.722 1.00 0.00 C ATOM 266 CG2 ILE A 17 7.091 9.404 3.682 1.00 0.00 C ATOM 267 CD1 ILE A 17 9.017 11.429 2.522 1.00 0.00 C ATOM 0 H ILE A 17 5.323 9.861 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 17 6.975 7.982 1.321 1.00 0.00 H new ATOM 0 HB ILE A 17 6.331 10.804 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.000 9.454 1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.248 10.657 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.552 10.167 4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.099 9.168 4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.707 8.505 3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.988 11.661 2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.390 12.320 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.154 11.098 3.552 1.00 0.00 H new ATOM 279 N ILE A 18 4.720 7.207 2.139 1.00 0.00 N ATOM 280 CA ILE A 18 3.444 6.745 2.692 1.00 0.00 C ATOM 281 C ILE A 18 3.648 5.920 3.963 1.00 0.00 C ATOM 282 O ILE A 18 4.303 4.881 3.949 1.00 0.00 O ATOM 283 CB ILE A 18 2.663 5.894 1.660 1.00 0.00 C ATOM 284 CG1 ILE A 18 2.386 6.710 0.394 1.00 0.00 C ATOM 285 CG2 ILE A 18 1.353 5.382 2.257 1.00 0.00 C ATOM 286 CD1 ILE A 18 1.681 5.928 -0.693 1.00 0.00 C ATOM 0 H ILE A 18 5.392 6.464 1.945 1.00 0.00 H new ATOM 0 HA ILE A 18 2.868 7.637 2.937 1.00 0.00 H new ATOM 0 HB ILE A 18 3.278 5.034 1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.780 7.577 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.330 7.088 0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.822 4.787 1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.567 4.765 3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.733 6.228 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.519 6.572 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.295 5.076 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.720 5.572 -0.321 1.00 0.00 H new ATOM 298 N GLU A 19 3.084 6.393 5.060 1.00 0.00 N ATOM 299 CA GLU A 19 3.125 5.670 6.324 1.00 0.00 C ATOM 300 C GLU A 19 1.877 4.798 6.465 1.00 0.00 C ATOM 301 O GLU A 19 0.764 5.261 6.224 1.00 0.00 O ATOM 302 CB GLU A 19 3.224 6.666 7.480 1.00 0.00 C ATOM 303 CG GLU A 19 4.414 7.603 7.358 1.00 0.00 C ATOM 304 CD GLU A 19 4.408 8.699 8.399 1.00 0.00 C ATOM 305 OE1 GLU A 19 4.962 8.486 9.497 1.00 0.00 O ATOM 306 OE2 GLU A 19 3.863 9.783 8.114 1.00 0.00 O ATOM 0 H GLU A 19 2.587 7.283 5.103 1.00 0.00 H new ATOM 0 HA GLU A 19 4.001 5.021 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.308 7.255 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.295 6.118 8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.335 7.027 7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.416 8.052 6.365 1.00 0.00 H new ATOM 313 N ILE A 20 2.062 3.539 6.839 1.00 0.00 N ATOM 314 CA ILE A 20 0.957 2.586 6.895 1.00 0.00 C ATOM 315 C ILE A 20 0.978 1.785 8.192 1.00 0.00 C ATOM 316 O ILE A 20 2.025 1.622 8.814 1.00 0.00 O ATOM 317 CB ILE A 20 0.997 1.599 5.706 1.00 0.00 C ATOM 318 CG1 ILE A 20 2.375 0.933 5.614 1.00 0.00 C ATOM 319 CG2 ILE A 20 0.653 2.313 4.406 1.00 0.00 C ATOM 320 CD1 ILE A 20 2.480 -0.113 4.526 1.00 0.00 C ATOM 0 H ILE A 20 2.966 3.152 7.109 1.00 0.00 H new ATOM 0 HA ILE A 20 0.041 3.174 6.845 1.00 0.00 H new ATOM 0 HB ILE A 20 0.251 0.822 5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.128 1.702 5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.609 0.470 6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.686 1.602 3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.348 2.738 4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.374 3.111 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.484 -0.537 4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.752 -0.903 4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.280 0.347 3.558 1.00 0.00 H new ATOM 332 N GLY A 21 -0.187 1.284 8.588 1.00 0.00 N ATOM 333 CA GLY A 21 -0.284 0.482 9.794 1.00 0.00 C ATOM 334 C GLY A 21 -0.220 -1.007 9.509 1.00 0.00 C ATOM 335 O GLY A 21 -0.614 -1.827 10.340 1.00 0.00 O ATOM 0 H GLY A 21 -1.069 1.420 8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.524 0.754 10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.220 0.711 10.304 1.00 0.00 H new ATOM 339 N VAL A 22 0.272 -1.358 8.328 1.00 0.00 N ATOM 340 CA VAL A 22 0.428 -2.754 7.943 1.00 0.00 C ATOM 341 C VAL A 22 1.874 -3.026 7.545 1.00 0.00 C ATOM 342 O VAL A 22 2.693 -2.109 7.513 1.00 0.00 O ATOM 343 CB VAL A 22 -0.516 -3.150 6.782 1.00 0.00 C ATOM 344 CG1 VAL A 22 -1.972 -3.070 7.218 1.00 0.00 C ATOM 345 CG2 VAL A 22 -0.276 -2.273 5.561 1.00 0.00 C ATOM 0 H VAL A 22 0.571 -0.691 7.617 1.00 0.00 H new ATOM 0 HA VAL A 22 0.160 -3.361 8.808 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.295 -4.182 6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.617 -3.353 6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.139 -3.749 8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.204 -2.051 7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.952 -2.572 4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.459 -1.230 5.820 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.755 -2.388 5.227 1.00 0.00 H new ATOM 355 N LYS A 23 2.184 -4.277 7.242 1.00 0.00 N ATOM 356 CA LYS A 23 3.554 -4.662 6.927 1.00 0.00 C ATOM 357 C LYS A 23 3.656 -5.143 5.484 1.00 0.00 C ATOM 358 O LYS A 23 4.718 -5.070 4.859 1.00 0.00 O ATOM 359 CB LYS A 23 4.007 -5.760 7.891 1.00 0.00 C ATOM 360 CG LYS A 23 5.459 -6.176 7.720 1.00 0.00 C ATOM 361 CD LYS A 23 5.875 -7.178 8.780 1.00 0.00 C ATOM 362 CE LYS A 23 5.726 -6.601 10.179 1.00 0.00 C ATOM 363 NZ LYS A 23 6.105 -7.581 11.227 1.00 0.00 N ATOM 0 H LYS A 23 1.510 -5.041 7.207 1.00 0.00 H new ATOM 0 HA LYS A 23 4.205 -3.795 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.857 -5.415 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.371 -6.635 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.601 -6.611 6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.100 -5.296 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.267 -8.078 8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.911 -7.475 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.348 -5.711 10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.694 -6.286 10.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.989 -7.148 12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.494 -8.420 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.097 -7.863 11.096 1.00 0.00 H new ATOM 377 N GLU A 24 2.542 -5.631 4.969 1.00 0.00 N ATOM 378 CA GLU A 24 2.475 -6.147 3.615 1.00 0.00 C ATOM 379 C GLU A 24 1.572 -5.266 2.758 1.00 0.00 C ATOM 380 O GLU A 24 0.349 -5.315 2.875 1.00 0.00 O ATOM 381 CB GLU A 24 1.955 -7.598 3.614 1.00 0.00 C ATOM 382 CG GLU A 24 1.583 -8.146 4.992 1.00 0.00 C ATOM 383 CD GLU A 24 0.347 -7.493 5.594 1.00 0.00 C ATOM 384 OE1 GLU A 24 -0.780 -7.935 5.275 1.00 0.00 O ATOM 385 OE2 GLU A 24 0.500 -6.547 6.405 1.00 0.00 O ATOM 0 H GLU A 24 1.659 -5.681 5.478 1.00 0.00 H new ATOM 0 HA GLU A 24 3.480 -6.138 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.079 -7.655 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.717 -8.242 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.414 -9.220 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.425 -8.004 5.670 1.00 0.00 H new ATOM 392 N PHE A 25 2.177 -4.457 1.899 1.00 0.00 N ATOM 393 CA PHE A 25 1.413 -3.565 1.040 1.00 0.00 C ATOM 394 C PHE A 25 2.125 -3.396 -0.297 1.00 0.00 C ATOM 395 O PHE A 25 3.344 -3.532 -0.379 1.00 0.00 O ATOM 396 CB PHE A 25 1.225 -2.205 1.724 1.00 0.00 C ATOM 397 CG PHE A 25 0.184 -1.334 1.078 1.00 0.00 C ATOM 398 CD1 PHE A 25 -1.160 -1.544 1.328 1.00 0.00 C ATOM 399 CD2 PHE A 25 0.550 -0.299 0.232 1.00 0.00 C ATOM 400 CE1 PHE A 25 -2.122 -0.743 0.745 1.00 0.00 C ATOM 401 CE2 PHE A 25 -0.407 0.505 -0.356 1.00 0.00 C ATOM 402 CZ PHE A 25 -1.747 0.284 -0.097 1.00 0.00 C ATOM 0 H PHE A 25 3.188 -4.400 1.779 1.00 0.00 H new ATOM 0 HA PHE A 25 0.430 -4.000 0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 25 0.951 -2.369 2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.178 -1.675 1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.461 -2.345 1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.596 -0.119 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.168 -0.920 0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.109 1.305 -1.017 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.498 0.913 -0.552 1.00 0.00 H new ATOM 412 N MET A 26 1.370 -3.121 -1.347 1.00 0.00 N ATOM 413 CA MET A 26 1.958 -2.949 -2.664 1.00 0.00 C ATOM 414 C MET A 26 1.782 -1.517 -3.145 1.00 0.00 C ATOM 415 O MET A 26 0.677 -0.977 -3.134 1.00 0.00 O ATOM 416 CB MET A 26 1.341 -3.919 -3.673 1.00 0.00 C ATOM 417 CG MET A 26 2.015 -3.874 -5.036 1.00 0.00 C ATOM 418 SD MET A 26 1.319 -5.056 -6.203 1.00 0.00 S ATOM 419 CE MET A 26 2.418 -4.828 -7.598 1.00 0.00 C ATOM 0 H MET A 26 0.356 -3.013 -1.314 1.00 0.00 H new ATOM 0 HA MET A 26 3.023 -3.167 -2.584 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.403 -4.933 -3.277 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.283 -3.687 -3.790 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.924 -2.869 -5.447 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.080 -4.074 -4.916 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.870 -4.997 -8.525 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.811 -3.811 -7.589 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.243 -5.537 -7.531 1.00 0.00 H new ATOM 429 N CYS A 27 2.880 -0.911 -3.561 1.00 0.00 N ATOM 430 CA CYS A 27 2.859 0.442 -4.087 1.00 0.00 C ATOM 431 C CYS A 27 2.166 0.480 -5.439 1.00 0.00 C ATOM 432 O CYS A 27 2.534 -0.257 -6.358 1.00 0.00 O ATOM 433 CB CYS A 27 4.288 0.978 -4.212 1.00 0.00 C ATOM 434 SG CYS A 27 4.446 2.498 -5.191 1.00 0.00 S ATOM 0 H CYS A 27 3.805 -1.340 -3.544 1.00 0.00 H new ATOM 0 HA CYS A 27 2.301 1.074 -3.396 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.680 1.164 -3.212 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.913 0.206 -4.661 1.00 0.00 H new ATOM 439 N VAL A 28 1.159 1.326 -5.549 1.00 0.00 N ATOM 440 CA VAL A 28 0.483 1.560 -6.811 1.00 0.00 C ATOM 441 C VAL A 28 0.797 2.972 -7.302 1.00 0.00 C ATOM 442 O VAL A 28 0.757 3.930 -6.529 1.00 0.00 O ATOM 443 CB VAL A 28 -1.048 1.344 -6.685 1.00 0.00 C ATOM 444 CG1 VAL A 28 -1.629 2.147 -5.535 1.00 0.00 C ATOM 445 CG2 VAL A 28 -1.760 1.690 -7.983 1.00 0.00 C ATOM 0 H VAL A 28 0.788 1.869 -4.769 1.00 0.00 H new ATOM 0 HA VAL A 28 0.848 0.837 -7.541 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.208 0.286 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.703 1.972 -5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.159 1.838 -4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.443 3.208 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.831 1.529 -7.864 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.576 2.735 -8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.384 1.054 -8.785 1.00 0.00 H new ATOM 455 N GLY A 29 1.156 3.089 -8.570 1.00 0.00 N ATOM 456 CA GLY A 29 1.513 4.379 -9.119 1.00 0.00 C ATOM 457 C GLY A 29 1.303 4.431 -10.613 1.00 0.00 C ATOM 458 O GLY A 29 2.249 4.632 -11.374 1.00 0.00 O ATOM 0 H GLY A 29 1.207 2.313 -9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.916 5.155 -8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.557 4.595 -8.891 1.00 0.00 H new ATOM 462 N ALA A 30 0.058 4.240 -11.023 1.00 0.00 N ATOM 463 CA ALA A 30 -0.300 4.227 -12.432 1.00 0.00 C ATOM 464 C ALA A 30 -0.088 5.592 -13.068 1.00 0.00 C ATOM 465 O ALA A 30 -0.943 6.479 -12.962 1.00 0.00 O ATOM 466 CB ALA A 30 -1.745 3.789 -12.598 1.00 0.00 C ATOM 0 H ALA A 30 -0.729 4.090 -10.391 1.00 0.00 H new ATOM 0 HA ALA A 30 0.351 3.516 -12.940 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.004 3.782 -13.657 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.871 2.787 -12.187 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.399 4.483 -12.069 1.00 0.00 H new ATOM 472 N THR A 31 1.068 5.771 -13.690 1.00 0.00 N ATOM 473 CA THR A 31 1.388 7.008 -14.391 1.00 0.00 C ATOM 474 C THR A 31 2.477 6.762 -15.432 1.00 0.00 C ATOM 475 O THR A 31 2.264 6.977 -16.625 1.00 0.00 O ATOM 476 CB THR A 31 1.848 8.120 -13.417 1.00 0.00 C ATOM 477 OG1 THR A 31 0.839 8.355 -12.426 1.00 0.00 O ATOM 478 CG2 THR A 31 2.126 9.415 -14.168 1.00 0.00 C ATOM 0 H THR A 31 1.807 5.069 -13.724 1.00 0.00 H new ATOM 0 HA THR A 31 0.476 7.344 -14.885 1.00 0.00 H new ATOM 0 HB THR A 31 2.766 7.788 -12.933 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.018 8.000 -12.741 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.448 10.182 -13.464 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.911 9.247 -14.905 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.218 9.744 -14.674 1.00 0.00 H new ATOM 486 N GLN A 32 3.634 6.294 -14.981 1.00 0.00 N ATOM 487 CA GLN A 32 4.758 6.056 -15.878 1.00 0.00 C ATOM 488 C GLN A 32 5.443 4.717 -15.567 1.00 0.00 C ATOM 489 O GLN A 32 5.534 3.861 -16.446 1.00 0.00 O ATOM 490 CB GLN A 32 5.751 7.228 -15.822 1.00 0.00 C ATOM 491 CG GLN A 32 6.918 7.106 -16.793 1.00 0.00 C ATOM 492 CD GLN A 32 6.476 6.843 -18.221 1.00 0.00 C ATOM 493 OE1 GLN A 32 6.379 5.694 -18.648 1.00 0.00 O ATOM 494 NE2 GLN A 32 6.177 7.898 -18.956 1.00 0.00 N ATOM 0 H GLN A 32 3.819 6.072 -14.003 1.00 0.00 H new ATOM 0 HA GLN A 32 4.375 5.992 -16.897 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.215 8.154 -16.031 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.144 7.309 -14.808 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.506 8.024 -16.763 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.572 6.298 -16.466 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.271 8.835 -18.565 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.852 7.776 -19.915 1.00 0.00 H new ATOM 503 N PRO A 33 5.937 4.494 -14.328 1.00 0.00 N ATOM 504 CA PRO A 33 6.519 3.209 -13.949 1.00 0.00 C ATOM 505 C PRO A 33 5.432 2.187 -13.638 1.00 0.00 C ATOM 506 O PRO A 33 4.837 2.224 -12.556 1.00 0.00 O ATOM 507 CB PRO A 33 7.346 3.522 -12.691 1.00 0.00 C ATOM 508 CG PRO A 33 7.218 4.997 -12.467 1.00 0.00 C ATOM 509 CD PRO A 33 5.988 5.437 -13.207 1.00 0.00 C ATOM 0 HA PRO A 33 7.121 2.776 -14.748 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.975 2.964 -11.832 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.389 3.238 -12.830 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.132 5.222 -11.404 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.100 5.523 -12.833 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.096 5.375 -12.584 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.067 6.469 -13.548 1.00 0.00 H new ATOM 517 N PHE A 34 5.191 1.295 -14.601 1.00 0.00 N ATOM 518 CA PHE A 34 4.082 0.337 -14.562 1.00 0.00 C ATOM 519 C PHE A 34 2.758 1.037 -14.870 1.00 0.00 C ATOM 520 O PHE A 34 2.532 2.182 -14.471 1.00 0.00 O ATOM 521 CB PHE A 34 4.021 -0.427 -13.232 1.00 0.00 C ATOM 522 CG PHE A 34 5.155 -1.400 -13.052 1.00 0.00 C ATOM 523 CD1 PHE A 34 5.072 -2.684 -13.568 1.00 0.00 C ATOM 524 CD2 PHE A 34 6.306 -1.031 -12.371 1.00 0.00 C ATOM 525 CE1 PHE A 34 6.112 -3.580 -13.410 1.00 0.00 C ATOM 526 CE2 PHE A 34 7.350 -1.923 -12.210 1.00 0.00 C ATOM 527 CZ PHE A 34 7.252 -3.200 -12.729 1.00 0.00 C ATOM 0 H PHE A 34 5.766 1.216 -15.440 1.00 0.00 H new ATOM 0 HA PHE A 34 4.263 -0.408 -15.337 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.031 0.288 -12.409 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.076 -0.967 -13.174 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.183 -2.988 -14.100 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.387 -0.035 -11.962 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.034 -4.577 -13.819 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.241 -1.622 -11.679 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.065 -3.899 -12.602 1.00 0.00 H new ATOM 537 N ASP A 35 1.890 0.346 -15.601 1.00 0.00 N ATOM 538 CA ASP A 35 0.687 0.965 -16.154 1.00 0.00 C ATOM 539 C ASP A 35 -0.430 1.095 -15.125 1.00 0.00 C ATOM 540 O ASP A 35 -1.297 1.957 -15.256 1.00 0.00 O ATOM 541 CB ASP A 35 0.187 0.179 -17.370 1.00 0.00 C ATOM 542 CG ASP A 35 1.155 0.236 -18.535 1.00 0.00 C ATOM 543 OD1 ASP A 35 1.052 1.175 -19.353 1.00 0.00 O ATOM 544 OD2 ASP A 35 2.022 -0.660 -18.640 1.00 0.00 O ATOM 0 H ASP A 35 1.996 -0.643 -15.825 1.00 0.00 H new ATOM 0 HA ASP A 35 0.967 1.973 -16.461 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.026 -0.861 -17.086 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.778 0.576 -17.684 1.00 0.00 H new ATOM 549 N HIS A 36 -0.429 0.235 -14.116 1.00 0.00 N ATOM 550 CA HIS A 36 -1.445 0.307 -13.068 1.00 0.00 C ATOM 551 C HIS A 36 -0.819 0.231 -11.675 1.00 0.00 C ATOM 552 O HIS A 36 -0.998 1.144 -10.876 1.00 0.00 O ATOM 553 CB HIS A 36 -2.523 -0.772 -13.242 1.00 0.00 C ATOM 554 CG HIS A 36 -3.274 -0.672 -14.534 1.00 0.00 C ATOM 555 ND1 HIS A 36 -4.165 0.340 -14.817 1.00 0.00 N ATOM 556 CD2 HIS A 36 -3.246 -1.461 -15.631 1.00 0.00 C ATOM 557 CE1 HIS A 36 -4.649 0.166 -16.031 1.00 0.00 C ATOM 558 NE2 HIS A 36 -4.106 -0.919 -16.549 1.00 0.00 N ATOM 0 H HIS A 36 0.254 -0.513 -13.998 1.00 0.00 H new ATOM 0 HA HIS A 36 -1.932 1.277 -13.165 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.054 -1.754 -13.180 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.230 -0.703 -12.415 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.654 -2.355 -15.760 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.370 0.805 -16.520 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.295 -1.292 -17.479 1.00 0.00 H new ATOM 567 N PRO A 37 -0.079 -0.847 -11.342 1.00 0.00 N ATOM 568 CA PRO A 37 0.576 -0.958 -10.043 1.00 0.00 C ATOM 569 C PRO A 37 1.957 -0.314 -10.056 1.00 0.00 C ATOM 570 O PRO A 37 2.228 0.573 -10.863 1.00 0.00 O ATOM 571 CB PRO A 37 0.684 -2.467 -9.860 1.00 0.00 C ATOM 572 CG PRO A 37 0.869 -3.005 -11.241 1.00 0.00 C ATOM 573 CD PRO A 37 0.191 -2.036 -12.182 1.00 0.00 C ATOM 0 HA PRO A 37 0.034 -0.453 -9.243 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.525 -2.729 -9.217 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.213 -2.874 -9.393 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.928 -3.099 -11.480 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.432 -4.000 -11.330 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.831 -1.789 -13.029 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.730 -2.454 -12.589 1.00 0.00 H new ATOM 581 N HIS A 38 2.819 -0.733 -9.143 1.00 0.00 N ATOM 582 CA HIS A 38 4.210 -0.325 -9.186 1.00 0.00 C ATOM 583 C HIS A 38 5.108 -1.429 -8.646 1.00 0.00 C ATOM 584 O HIS A 38 5.585 -2.272 -9.396 1.00 0.00 O ATOM 585 CB HIS A 38 4.448 0.990 -8.424 1.00 0.00 C ATOM 586 CG HIS A 38 5.844 1.509 -8.594 1.00 0.00 C ATOM 587 ND1 HIS A 38 6.607 2.055 -7.560 1.00 0.00 N ATOM 588 CD2 HIS A 38 6.633 1.520 -9.696 1.00 0.00 C ATOM 589 CE1 HIS A 38 7.807 2.361 -8.054 1.00 0.00 C ATOM 590 NE2 HIS A 38 7.839 2.048 -9.330 1.00 0.00 N ATOM 0 H HIS A 38 2.580 -1.352 -8.368 1.00 0.00 H new ATOM 0 HA HIS A 38 4.465 -0.145 -10.230 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.740 1.741 -8.773 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.249 0.833 -7.364 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.359 1.175 -10.682 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.622 2.796 -7.495 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.638 2.179 -9.950 1.00 0.00 H new ATOM 598 N ILE A 39 5.300 -1.435 -7.341 1.00 0.00 N ATOM 599 CA ILE A 39 6.239 -2.352 -6.697 1.00 0.00 C ATOM 600 C ILE A 39 5.691 -2.796 -5.347 1.00 0.00 C ATOM 601 O ILE A 39 5.191 -1.977 -4.578 1.00 0.00 O ATOM 602 CB ILE A 39 7.628 -1.682 -6.495 1.00 0.00 C ATOM 603 CG1 ILE A 39 8.294 -1.385 -7.846 1.00 0.00 C ATOM 604 CG2 ILE A 39 8.543 -2.549 -5.634 1.00 0.00 C ATOM 605 CD1 ILE A 39 8.698 -2.625 -8.615 1.00 0.00 C ATOM 0 H ILE A 39 4.816 -0.811 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 39 6.362 -3.218 -7.347 1.00 0.00 H new ATOM 0 HB ILE A 39 7.464 -0.739 -5.973 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.609 -0.798 -8.457 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.178 -0.770 -7.677 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.506 -2.052 -5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.086 -2.700 -4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.691 -3.514 -6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.161 -2.334 -9.558 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.409 -3.204 -8.025 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.815 -3.232 -8.817 1.00 0.00 H new ATOM 617 N PHE A 40 5.767 -4.090 -5.072 1.00 0.00 N ATOM 618 CA PHE A 40 5.307 -4.624 -3.797 1.00 0.00 C ATOM 619 C PHE A 40 6.327 -4.319 -2.706 1.00 0.00 C ATOM 620 O PHE A 40 7.533 -4.426 -2.927 1.00 0.00 O ATOM 621 CB PHE A 40 5.063 -6.138 -3.897 1.00 0.00 C ATOM 622 CG PHE A 40 6.300 -6.953 -4.185 1.00 0.00 C ATOM 623 CD1 PHE A 40 6.798 -7.059 -5.476 1.00 0.00 C ATOM 624 CD2 PHE A 40 6.968 -7.608 -3.160 1.00 0.00 C ATOM 625 CE1 PHE A 40 7.934 -7.804 -5.737 1.00 0.00 C ATOM 626 CE2 PHE A 40 8.104 -8.352 -3.416 1.00 0.00 C ATOM 627 CZ PHE A 40 8.589 -8.449 -4.706 1.00 0.00 C ATOM 0 H PHE A 40 6.142 -4.789 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 40 4.362 -4.145 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.624 -6.485 -2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.330 -6.324 -4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.293 -6.554 -6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.595 -7.535 -2.149 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.309 -7.881 -6.747 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.612 -8.857 -2.608 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.478 -9.028 -4.908 1.00 0.00 H new ATOM 637 N ILE A 41 5.842 -3.929 -1.537 1.00 0.00 N ATOM 638 CA ILE A 41 6.718 -3.576 -0.433 1.00 0.00 C ATOM 639 C ILE A 41 6.476 -4.488 0.764 1.00 0.00 C ATOM 640 O ILE A 41 5.422 -4.438 1.401 1.00 0.00 O ATOM 641 CB ILE A 41 6.532 -2.102 -0.003 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.843 -1.157 -1.171 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.411 -1.772 1.200 1.00 0.00 C ATOM 644 CD1 ILE A 41 8.276 -1.224 -1.660 1.00 0.00 C ATOM 0 H ILE A 41 4.847 -3.849 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 41 7.741 -3.706 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 41 5.491 -1.962 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.176 -1.392 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.623 -0.134 -0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.263 -0.730 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.141 -2.418 2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.458 -1.932 0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.412 -0.526 -2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.951 -0.959 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.497 -2.236 -2.000 1.00 0.00 H new ATOM 656 N ASP A 42 7.450 -5.337 1.039 1.00 0.00 N ATOM 657 CA ASP A 42 7.420 -6.187 2.218 1.00 0.00 C ATOM 658 C ASP A 42 8.400 -5.658 3.249 1.00 0.00 C ATOM 659 O ASP A 42 9.549 -5.358 2.924 1.00 0.00 O ATOM 660 CB ASP A 42 7.775 -7.632 1.858 1.00 0.00 C ATOM 661 CG ASP A 42 7.996 -8.499 3.086 1.00 0.00 C ATOM 662 OD1 ASP A 42 7.005 -8.997 3.656 1.00 0.00 O ATOM 663 OD2 ASP A 42 9.166 -8.688 3.483 1.00 0.00 O ATOM 0 H ASP A 42 8.279 -5.457 0.457 1.00 0.00 H new ATOM 0 HA ASP A 42 6.411 -6.175 2.630 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.975 -8.060 1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.676 -7.640 1.245 1.00 0.00 H new ATOM 668 N MET A 43 7.947 -5.513 4.480 1.00 0.00 N ATOM 669 CA MET A 43 8.813 -5.034 5.543 1.00 0.00 C ATOM 670 C MET A 43 9.394 -6.206 6.320 1.00 0.00 C ATOM 671 O MET A 43 8.757 -6.730 7.234 1.00 0.00 O ATOM 672 CB MET A 43 8.052 -4.126 6.507 1.00 0.00 C ATOM 673 CG MET A 43 7.425 -2.905 5.857 1.00 0.00 C ATOM 674 SD MET A 43 6.602 -1.850 7.062 1.00 0.00 S ATOM 675 CE MET A 43 5.937 -0.573 6.003 1.00 0.00 C ATOM 0 H MET A 43 6.990 -5.718 4.769 1.00 0.00 H new ATOM 0 HA MET A 43 9.618 -4.463 5.080 1.00 0.00 H new ATOM 0 HB2 MET A 43 7.268 -4.707 6.992 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.734 -3.795 7.290 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.196 -2.333 5.340 1.00 0.00 H new ATOM 0 HG3 MET A 43 6.706 -3.224 5.103 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.905 -0.366 6.287 1.00 0.00 H new ATOM 0 HE2 MET A 43 6.532 0.334 6.109 1.00 0.00 H new ATOM 0 HE3 MET A 43 5.968 -0.908 4.966 1.00 0.00 H new ATOM 685 N GLY A 44 10.594 -6.623 5.949 1.00 0.00 N ATOM 686 CA GLY A 44 11.266 -7.687 6.673 1.00 0.00 C ATOM 687 C GLY A 44 11.873 -7.191 7.972 1.00 0.00 C ATOM 688 O GLY A 44 13.091 -7.230 8.146 1.00 0.00 O ATOM 0 H GLY A 44 11.117 -6.245 5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.556 -8.486 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.049 -8.115 6.046 1.00 0.00 H new ATOM 692 N SER A 45 11.011 -6.721 8.873 1.00 0.00 N ATOM 693 CA SER A 45 11.424 -6.145 10.153 1.00 0.00 C ATOM 694 C SER A 45 12.252 -4.875 9.944 1.00 0.00 C ATOM 695 O SER A 45 13.474 -4.924 9.802 1.00 0.00 O ATOM 696 CB SER A 45 12.202 -7.170 10.987 1.00 0.00 C ATOM 697 OG SER A 45 11.427 -8.337 11.214 1.00 0.00 O ATOM 0 H SER A 45 10.000 -6.729 8.735 1.00 0.00 H new ATOM 0 HA SER A 45 10.523 -5.872 10.703 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.125 -7.437 10.472 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.486 -6.727 11.941 1.00 0.00 H new ATOM 0 HG SER A 45 11.946 -8.976 11.746 1.00 0.00 H new ATOM 703 N THR A 46 11.574 -3.735 9.924 1.00 0.00 N ATOM 704 CA THR A 46 12.232 -2.460 9.698 1.00 0.00 C ATOM 705 C THR A 46 11.338 -1.309 10.165 1.00 0.00 C ATOM 706 O THR A 46 10.142 -1.499 10.413 1.00 0.00 O ATOM 707 CB THR A 46 12.598 -2.278 8.203 1.00 0.00 C ATOM 708 OG1 THR A 46 13.337 -1.066 8.008 1.00 0.00 O ATOM 709 CG2 THR A 46 11.350 -2.260 7.328 1.00 0.00 C ATOM 0 H THR A 46 10.566 -3.670 10.062 1.00 0.00 H new ATOM 0 HA THR A 46 13.155 -2.450 10.278 1.00 0.00 H new ATOM 0 HB THR A 46 13.216 -3.127 7.911 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.873 -0.501 7.355 1.00 0.00 H new ATOM 0 HG21 THR A 46 11.639 -2.131 6.285 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.812 -3.201 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.705 -1.435 7.631 1.00 0.00 H new ATOM 717 N ASP A 47 11.931 -0.132 10.310 1.00 0.00 N ATOM 718 CA ASP A 47 11.195 1.066 10.685 1.00 0.00 C ATOM 719 C ASP A 47 10.490 1.638 9.467 1.00 0.00 C ATOM 720 O ASP A 47 9.323 2.026 9.528 1.00 0.00 O ATOM 721 CB ASP A 47 12.139 2.127 11.269 1.00 0.00 C ATOM 722 CG ASP A 47 12.895 1.650 12.494 1.00 0.00 C ATOM 723 OD1 ASP A 47 12.366 1.779 13.616 1.00 0.00 O ATOM 724 OD2 ASP A 47 14.033 1.153 12.335 1.00 0.00 O ATOM 0 H ASP A 47 12.930 0.018 10.172 1.00 0.00 H new ATOM 0 HA ASP A 47 10.462 0.793 11.444 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.854 2.427 10.503 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.561 3.013 11.530 1.00 0.00 H new ATOM 729 N GLU A 48 11.212 1.675 8.355 1.00 0.00 N ATOM 730 CA GLU A 48 10.700 2.247 7.120 1.00 0.00 C ATOM 731 C GLU A 48 11.482 1.718 5.925 1.00 0.00 C ATOM 732 O GLU A 48 12.673 1.421 6.037 1.00 0.00 O ATOM 733 CB GLU A 48 10.779 3.777 7.174 1.00 0.00 C ATOM 734 CG GLU A 48 12.153 4.310 7.558 1.00 0.00 C ATOM 735 CD GLU A 48 12.210 5.821 7.572 1.00 0.00 C ATOM 736 OE1 GLU A 48 11.698 6.433 8.532 1.00 0.00 O ATOM 737 OE2 GLU A 48 12.769 6.405 6.623 1.00 0.00 O ATOM 0 H GLU A 48 12.163 1.312 8.285 1.00 0.00 H new ATOM 0 HA GLU A 48 9.656 1.954 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.503 4.180 6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.044 4.144 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.423 3.931 8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.895 3.929 6.856 1.00 0.00 H new ATOM 744 N LYS A 49 10.811 1.584 4.791 1.00 0.00 N ATOM 745 CA LYS A 49 11.449 1.081 3.585 1.00 0.00 C ATOM 746 C LYS A 49 11.031 1.912 2.376 1.00 0.00 C ATOM 747 O LYS A 49 9.851 2.206 2.192 1.00 0.00 O ATOM 748 CB LYS A 49 11.083 -0.392 3.376 1.00 0.00 C ATOM 749 CG LYS A 49 11.879 -1.077 2.275 1.00 0.00 C ATOM 750 CD LYS A 49 11.588 -2.569 2.217 1.00 0.00 C ATOM 751 CE LYS A 49 11.969 -3.268 3.515 1.00 0.00 C ATOM 752 NZ LYS A 49 13.416 -3.121 3.835 1.00 0.00 N ATOM 0 H LYS A 49 9.824 1.817 4.681 1.00 0.00 H new ATOM 0 HA LYS A 49 12.530 1.161 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.238 -0.930 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.021 -0.462 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.638 -0.621 1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.944 -0.920 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.528 -2.726 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.138 -3.015 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.375 -2.859 4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.722 -4.327 3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.662 -3.748 4.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.984 -3.377 3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.615 -2.135 4.099 1.00 0.00 H new ATOM 766 N ILE A 50 12.005 2.291 1.560 1.00 0.00 N ATOM 767 CA ILE A 50 11.744 3.122 0.394 1.00 0.00 C ATOM 768 C ILE A 50 11.198 2.272 -0.758 1.00 0.00 C ATOM 769 O ILE A 50 11.232 1.044 -0.709 1.00 0.00 O ATOM 770 CB ILE A 50 13.024 3.878 -0.058 1.00 0.00 C ATOM 771 CG1 ILE A 50 12.659 5.221 -0.705 1.00 0.00 C ATOM 772 CG2 ILE A 50 13.846 3.034 -1.030 1.00 0.00 C ATOM 773 CD1 ILE A 50 13.863 6.064 -1.066 1.00 0.00 C ATOM 0 H ILE A 50 12.985 2.035 1.685 1.00 0.00 H new ATOM 0 HA ILE A 50 10.995 3.862 0.674 1.00 0.00 H new ATOM 0 HB ILE A 50 13.629 4.068 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 50 12.073 5.034 -1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.023 5.784 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.736 3.588 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.143 2.105 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.246 2.806 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 50 13.531 6.998 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.438 6.281 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.489 5.520 -1.774 1.00 0.00 H new ATOM 785 N CYS A 51 10.690 2.938 -1.782 1.00 0.00 N ATOM 786 CA CYS A 51 10.165 2.264 -2.955 1.00 0.00 C ATOM 787 C CYS A 51 10.946 2.690 -4.187 1.00 0.00 C ATOM 788 O CYS A 51 10.852 3.840 -4.613 1.00 0.00 O ATOM 789 CB CYS A 51 8.685 2.595 -3.135 1.00 0.00 C ATOM 790 SG CYS A 51 7.964 2.026 -4.697 1.00 0.00 S ATOM 0 H CYS A 51 10.631 3.955 -1.823 1.00 0.00 H new ATOM 0 HA CYS A 51 10.270 1.187 -2.820 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.125 2.153 -2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.557 3.675 -3.064 1.00 0.00 H new ATOM 795 N PRO A 52 11.724 1.770 -4.768 1.00 0.00 N ATOM 796 CA PRO A 52 12.563 2.060 -5.934 1.00 0.00 C ATOM 797 C PRO A 52 11.759 2.557 -7.134 1.00 0.00 C ATOM 798 O PRO A 52 10.613 2.148 -7.340 1.00 0.00 O ATOM 799 CB PRO A 52 13.219 0.712 -6.263 1.00 0.00 C ATOM 800 CG PRO A 52 13.107 -0.094 -5.014 1.00 0.00 C ATOM 801 CD PRO A 52 11.852 0.370 -4.331 1.00 0.00 C ATOM 0 HA PRO A 52 13.275 2.856 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 52 12.714 0.221 -7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.261 0.842 -6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 52 13.057 -1.159 -5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.977 0.055 -4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 52 10.989 -0.225 -4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 52 11.933 0.293 -3.247 1.00 0.00 H new ATOM 809 N TYR A 53 12.366 3.467 -7.896 1.00 0.00 N ATOM 810 CA TYR A 53 11.819 3.936 -9.171 1.00 0.00 C ATOM 811 C TYR A 53 10.563 4.794 -9.003 1.00 0.00 C ATOM 812 O TYR A 53 9.683 4.763 -9.865 1.00 0.00 O ATOM 813 CB TYR A 53 11.520 2.755 -10.100 1.00 0.00 C ATOM 814 CG TYR A 53 12.752 2.050 -10.623 1.00 0.00 C ATOM 815 CD1 TYR A 53 13.561 2.651 -11.578 1.00 0.00 C ATOM 816 CD2 TYR A 53 13.099 0.783 -10.169 1.00 0.00 C ATOM 817 CE1 TYR A 53 14.680 2.010 -12.070 1.00 0.00 C ATOM 818 CE2 TYR A 53 14.219 0.136 -10.655 1.00 0.00 C ATOM 819 CZ TYR A 53 15.005 0.755 -11.605 1.00 0.00 C ATOM 820 OH TYR A 53 16.115 0.110 -12.100 1.00 0.00 O ATOM 0 H TYR A 53 13.254 3.902 -7.646 1.00 0.00 H new ATOM 0 HA TYR A 53 12.586 4.569 -9.617 1.00 0.00 H new ATOM 0 HB2 TYR A 53 10.902 2.034 -9.565 1.00 0.00 H new ATOM 0 HB3 TYR A 53 10.933 3.112 -10.946 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.311 3.636 -11.942 1.00 0.00 H new ATOM 0 HD2 TYR A 53 12.484 0.297 -9.426 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.297 2.490 -12.815 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.478 -0.848 -10.293 1.00 0.00 H new ATOM 0 HH TYR A 53 16.205 -0.765 -11.668 1.00 0.00 H new ATOM 830 N CYS A 54 10.485 5.554 -7.907 1.00 0.00 N ATOM 831 CA CYS A 54 9.434 6.571 -7.738 1.00 0.00 C ATOM 832 C CYS A 54 9.453 7.176 -6.343 1.00 0.00 C ATOM 833 O CYS A 54 9.042 8.323 -6.168 1.00 0.00 O ATOM 834 CB CYS A 54 8.023 6.013 -8.002 1.00 0.00 C ATOM 835 SG CYS A 54 7.347 4.961 -6.683 1.00 0.00 S ATOM 0 H CYS A 54 11.134 5.487 -7.123 1.00 0.00 H new ATOM 0 HA CYS A 54 9.657 7.339 -8.478 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.343 6.850 -8.162 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.044 5.438 -8.928 1.00 0.00 H new ATOM 840 N SER A 55 9.932 6.404 -5.358 1.00 0.00 N ATOM 841 CA SER A 55 9.780 6.750 -3.952 1.00 0.00 C ATOM 842 C SER A 55 8.311 6.620 -3.540 1.00 0.00 C ATOM 843 O SER A 55 7.399 6.958 -4.293 1.00 0.00 O ATOM 844 CB SER A 55 10.327 8.153 -3.661 1.00 0.00 C ATOM 845 OG SER A 55 11.696 8.243 -4.025 1.00 0.00 O ATOM 0 H SER A 55 10.431 5.529 -5.519 1.00 0.00 H new ATOM 0 HA SER A 55 10.367 6.052 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.750 8.895 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.211 8.381 -2.601 1.00 0.00 H new ATOM 0 HG SER A 55 12.027 9.145 -3.834 1.00 0.00 H new ATOM 851 N THR A 56 8.089 6.094 -2.351 1.00 0.00 N ATOM 852 CA THR A 56 6.761 5.783 -1.857 1.00 0.00 C ATOM 853 C THR A 56 6.907 5.508 -0.364 1.00 0.00 C ATOM 854 O THR A 56 5.938 5.526 0.383 1.00 0.00 O ATOM 855 CB THR A 56 6.120 4.555 -2.570 1.00 0.00 C ATOM 856 OG1 THR A 56 6.361 4.589 -4.000 1.00 0.00 O ATOM 857 CG2 THR A 56 4.622 4.527 -2.328 1.00 0.00 C ATOM 0 H THR A 56 8.835 5.868 -1.693 1.00 0.00 H new ATOM 0 HA THR A 56 6.094 6.621 -2.058 1.00 0.00 H new ATOM 0 HB THR A 56 6.582 3.660 -2.154 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.188 3.664 -2.832 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.428 4.458 -1.258 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.173 5.440 -2.720 1.00 0.00 H new ATOM 865 N LEU A 57 8.170 5.222 0.008 1.00 0.00 N ATOM 866 CA LEU A 57 8.656 5.127 1.391 1.00 0.00 C ATOM 867 C LEU A 57 7.580 4.725 2.388 1.00 0.00 C ATOM 868 O LEU A 57 6.920 5.576 2.980 1.00 0.00 O ATOM 869 CB LEU A 57 9.299 6.457 1.807 1.00 0.00 C ATOM 870 CG LEU A 57 10.576 6.344 2.650 1.00 0.00 C ATOM 871 CD1 LEU A 57 11.158 7.723 2.911 1.00 0.00 C ATOM 872 CD2 LEU A 57 10.305 5.631 3.964 1.00 0.00 C ATOM 0 H LEU A 57 8.905 5.045 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 57 9.398 4.328 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.530 7.025 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.565 7.034 2.369 1.00 0.00 H new ATOM 0 HG LEU A 57 11.300 5.754 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.064 7.628 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.399 8.202 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.429 8.330 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.228 5.566 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.561 6.188 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.931 4.627 3.763 1.00 0.00 H new ATOM 884 N TYR A 58 7.417 3.430 2.575 1.00 0.00 N ATOM 885 CA TYR A 58 6.441 2.925 3.515 1.00 0.00 C ATOM 886 C TYR A 58 7.052 2.809 4.898 1.00 0.00 C ATOM 887 O TYR A 58 8.013 2.067 5.112 1.00 0.00 O ATOM 888 CB TYR A 58 5.884 1.585 3.049 1.00 0.00 C ATOM 889 CG TYR A 58 4.978 1.713 1.851 1.00 0.00 C ATOM 890 CD1 TYR A 58 3.650 2.086 2.004 1.00 0.00 C ATOM 891 CD2 TYR A 58 5.450 1.473 0.570 1.00 0.00 C ATOM 892 CE1 TYR A 58 2.816 2.212 0.912 1.00 0.00 C ATOM 893 CE2 TYR A 58 4.622 1.596 -0.527 1.00 0.00 C ATOM 894 CZ TYR A 58 3.306 1.966 -0.350 1.00 0.00 C ATOM 895 OH TYR A 58 2.481 2.097 -1.443 1.00 0.00 O ATOM 0 H TYR A 58 7.949 2.709 2.087 1.00 0.00 H new ATOM 0 HA TYR A 58 5.612 3.631 3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.711 0.919 2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.333 1.121 3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.263 2.281 2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.481 1.185 0.428 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.784 2.502 1.047 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.003 1.403 -1.519 1.00 0.00 H new ATOM 0 HH TYR A 58 1.760 1.435 -1.390 1.00 0.00 H new ATOM 905 N ARG A 59 6.504 3.572 5.825 1.00 0.00 N ATOM 906 CA ARG A 59 6.988 3.577 7.194 1.00 0.00 C ATOM 907 C ARG A 59 6.000 2.853 8.092 1.00 0.00 C ATOM 908 O ARG A 59 4.786 2.985 7.916 1.00 0.00 O ATOM 909 CB ARG A 59 7.167 5.012 7.693 1.00 0.00 C ATOM 910 CG ARG A 59 7.941 5.909 6.742 1.00 0.00 C ATOM 911 CD ARG A 59 8.213 7.267 7.366 1.00 0.00 C ATOM 912 NE ARG A 59 9.116 7.168 8.512 1.00 0.00 N ATOM 913 CZ ARG A 59 8.815 7.566 9.748 1.00 0.00 C ATOM 914 NH1 ARG A 59 7.622 8.078 10.022 1.00 0.00 N ATOM 915 NH2 ARG A 59 9.716 7.436 10.713 1.00 0.00 N ATOM 0 H ARG A 59 5.719 4.200 5.654 1.00 0.00 H new ATOM 0 HA ARG A 59 7.951 3.068 7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.184 5.449 7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.682 4.989 8.654 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.885 5.433 6.476 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.377 6.037 5.818 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.647 7.930 6.618 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.272 7.716 7.683 1.00 0.00 H new ATOM 0 HE ARG A 59 10.040 6.767 8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.925 8.170 9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.402 8.379 10.971 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.630 7.034 10.506 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.494 7.738 11.662 1.00 0.00 H new ATOM 929 N TYR A 60 6.513 2.089 9.044 1.00 0.00 N ATOM 930 CA TYR A 60 5.658 1.392 9.990 1.00 0.00 C ATOM 931 C TYR A 60 5.950 1.847 11.411 1.00 0.00 C ATOM 932 O TYR A 60 6.914 1.407 12.041 1.00 0.00 O ATOM 933 CB TYR A 60 5.823 -0.127 9.878 1.00 0.00 C ATOM 934 CG TYR A 60 4.910 -0.897 10.807 1.00 0.00 C ATOM 935 CD1 TYR A 60 3.533 -0.886 10.622 1.00 0.00 C ATOM 936 CD2 TYR A 60 5.422 -1.626 11.875 1.00 0.00 C ATOM 937 CE1 TYR A 60 2.694 -1.576 11.474 1.00 0.00 C ATOM 938 CE2 TYR A 60 4.588 -2.321 12.730 1.00 0.00 C ATOM 939 CZ TYR A 60 3.224 -2.293 12.525 1.00 0.00 C ATOM 940 OH TYR A 60 2.389 -2.982 13.376 1.00 0.00 O ATOM 0 H TYR A 60 7.512 1.937 9.181 1.00 0.00 H new ATOM 0 HA TYR A 60 4.625 1.639 9.745 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.626 -0.432 8.850 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.858 -0.390 10.096 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.112 -0.329 9.798 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.489 -1.649 12.039 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.626 -1.554 11.317 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.002 -2.883 13.554 1.00 0.00 H new ATOM 0 HH TYR A 60 2.922 -3.435 14.062 1.00 0.00 H new ATOM 950 N ASP A 61 5.122 2.752 11.895 1.00 0.00 N ATOM 951 CA ASP A 61 5.205 3.217 13.269 1.00 0.00 C ATOM 952 C ASP A 61 4.138 2.505 14.089 1.00 0.00 C ATOM 953 O ASP A 61 2.997 2.393 13.645 1.00 0.00 O ATOM 954 CB ASP A 61 4.995 4.734 13.327 1.00 0.00 C ATOM 955 CG ASP A 61 5.289 5.327 14.694 1.00 0.00 C ATOM 956 OD1 ASP A 61 4.571 5.005 15.661 1.00 0.00 O ATOM 957 OD2 ASP A 61 6.230 6.137 14.802 1.00 0.00 O ATOM 0 H ASP A 61 4.376 3.185 11.351 1.00 0.00 H new ATOM 0 HA ASP A 61 6.191 2.994 13.676 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.636 5.212 12.586 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.965 4.962 13.053 1.00 0.00 H new ATOM 962 N PRO A 62 4.494 1.989 15.276 1.00 0.00 N ATOM 963 CA PRO A 62 3.555 1.268 16.153 1.00 0.00 C ATOM 964 C PRO A 62 2.281 2.059 16.479 1.00 0.00 C ATOM 965 O PRO A 62 1.277 1.481 16.897 1.00 0.00 O ATOM 966 CB PRO A 62 4.371 1.030 17.425 1.00 0.00 C ATOM 967 CG PRO A 62 5.789 1.038 16.970 1.00 0.00 C ATOM 968 CD PRO A 62 5.852 2.035 15.850 1.00 0.00 C ATOM 0 HA PRO A 62 3.191 0.360 15.673 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.188 1.809 18.165 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.110 0.080 17.891 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.459 1.319 17.782 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.097 0.049 16.631 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.101 3.032 16.213 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.609 1.765 15.114 1.00 0.00 H new ATOM 976 N SER A 63 2.313 3.373 16.286 1.00 0.00 N ATOM 977 CA SER A 63 1.149 4.204 16.567 1.00 0.00 C ATOM 978 C SER A 63 0.172 4.213 15.388 1.00 0.00 C ATOM 979 O SER A 63 -0.943 4.723 15.501 1.00 0.00 O ATOM 980 CB SER A 63 1.576 5.631 16.918 1.00 0.00 C ATOM 981 OG SER A 63 2.304 6.228 15.860 1.00 0.00 O ATOM 0 H SER A 63 3.126 3.882 15.939 1.00 0.00 H new ATOM 0 HA SER A 63 0.634 3.773 17.426 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.694 6.232 17.139 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.187 5.618 17.820 1.00 0.00 H new ATOM 0 HG SER A 63 3.240 5.943 15.905 1.00 0.00 H new ATOM 987 N LEU A 64 0.589 3.659 14.258 1.00 0.00 N ATOM 988 CA LEU A 64 -0.288 3.539 13.100 1.00 0.00 C ATOM 989 C LEU A 64 -1.158 2.295 13.239 1.00 0.00 C ATOM 990 O LEU A 64 -0.651 1.174 13.271 1.00 0.00 O ATOM 991 CB LEU A 64 0.525 3.465 11.800 1.00 0.00 C ATOM 992 CG LEU A 64 1.290 4.739 11.421 1.00 0.00 C ATOM 993 CD1 LEU A 64 2.277 4.453 10.303 1.00 0.00 C ATOM 994 CD2 LEU A 64 0.329 5.833 10.982 1.00 0.00 C ATOM 0 H LEU A 64 1.528 3.286 14.118 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.923 4.424 13.056 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.239 2.646 11.886 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.152 3.213 10.984 1.00 0.00 H new ATOM 0 HG LEU A 64 1.835 5.079 12.302 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.811 5.368 10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.990 3.697 10.632 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.739 4.089 9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.893 6.728 10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.239 5.493 10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.357 6.064 11.797 1.00 0.00 H new ATOM 1006 N SER A 65 -2.463 2.503 13.348 1.00 0.00 N ATOM 1007 CA SER A 65 -3.404 1.399 13.485 1.00 0.00 C ATOM 1008 C SER A 65 -3.439 0.558 12.209 1.00 0.00 C ATOM 1009 O SER A 65 -3.085 1.035 11.131 1.00 0.00 O ATOM 1010 CB SER A 65 -4.798 1.942 13.806 1.00 0.00 C ATOM 1011 OG SER A 65 -4.774 2.735 14.982 1.00 0.00 O ATOM 0 H SER A 65 -2.895 3.427 13.344 1.00 0.00 H new ATOM 0 HA SER A 65 -3.076 0.759 14.304 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.163 2.537 12.969 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.494 1.114 13.935 1.00 0.00 H new ATOM 0 HG SER A 65 -5.675 3.073 15.167 1.00 0.00 H new ATOM 1017 N TYR A 66 -3.896 -0.684 12.329 1.00 0.00 N ATOM 1018 CA TYR A 66 -3.896 -1.624 11.206 1.00 0.00 C ATOM 1019 C TYR A 66 -4.915 -1.237 10.132 1.00 0.00 C ATOM 1020 O TYR A 66 -5.009 -1.889 9.091 1.00 0.00 O ATOM 1021 CB TYR A 66 -4.173 -3.047 11.701 1.00 0.00 C ATOM 1022 CG TYR A 66 -3.049 -3.637 12.528 1.00 0.00 C ATOM 1023 CD1 TYR A 66 -2.916 -3.332 13.877 1.00 0.00 C ATOM 1024 CD2 TYR A 66 -2.120 -4.495 11.955 1.00 0.00 C ATOM 1025 CE1 TYR A 66 -1.891 -3.869 14.631 1.00 0.00 C ATOM 1026 CE2 TYR A 66 -1.092 -5.036 12.704 1.00 0.00 C ATOM 1027 CZ TYR A 66 -0.981 -4.719 14.042 1.00 0.00 C ATOM 1028 OH TYR A 66 0.041 -5.256 14.794 1.00 0.00 O ATOM 0 H TYR A 66 -4.273 -1.067 13.196 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.906 -1.584 10.752 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.086 -3.043 12.296 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.356 -3.692 10.841 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.625 -2.664 14.343 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.202 -4.744 10.907 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.803 -3.623 15.679 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.379 -5.704 12.244 1.00 0.00 H new ATOM 0 HH TYR A 66 0.594 -5.835 14.229 1.00 0.00 H new ATOM 1038 N ASN A 67 -5.680 -0.187 10.393 1.00 0.00 N ATOM 1039 CA ASN A 67 -6.622 0.340 9.413 1.00 0.00 C ATOM 1040 C ASN A 67 -6.211 1.747 8.995 1.00 0.00 C ATOM 1041 O ASN A 67 -6.907 2.413 8.227 1.00 0.00 O ATOM 1042 CB ASN A 67 -8.047 0.364 9.984 1.00 0.00 C ATOM 1043 CG ASN A 67 -8.230 1.391 11.094 1.00 0.00 C ATOM 1044 OD1 ASN A 67 -8.579 2.544 10.840 1.00 0.00 O ATOM 1045 ND2 ASN A 67 -8.003 0.980 12.333 1.00 0.00 N ATOM 0 H ASN A 67 -5.667 0.319 11.278 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.608 -0.314 8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.751 0.578 9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.294 -0.625 10.369 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.116 1.627 13.114 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.715 0.017 12.506 1.00 0.00 H new ATOM 1052 N GLN A 68 -5.063 2.184 9.492 1.00 0.00 N ATOM 1053 CA GLN A 68 -4.605 3.548 9.280 1.00 0.00 C ATOM 1054 C GLN A 68 -3.608 3.602 8.128 1.00 0.00 C ATOM 1055 O GLN A 68 -2.942 2.611 7.817 1.00 0.00 O ATOM 1056 CB GLN A 68 -3.971 4.090 10.562 1.00 0.00 C ATOM 1057 CG GLN A 68 -3.813 5.600 10.586 1.00 0.00 C ATOM 1058 CD GLN A 68 -3.200 6.094 11.880 1.00 0.00 C ATOM 1059 OE1 GLN A 68 -3.347 5.463 12.927 1.00 0.00 O ATOM 1060 NE2 GLN A 68 -2.523 7.228 11.821 1.00 0.00 N ATOM 0 H GLN A 68 -4.429 1.610 10.048 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.461 4.171 9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.581 3.786 11.413 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.991 3.631 10.692 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.188 5.911 9.749 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.788 6.067 10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.426 7.718 10.932 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.098 7.613 12.665 1.00 0.00 H new ATOM 1069 N THR A 69 -3.510 4.764 7.505 1.00 0.00 N ATOM 1070 CA THR A 69 -2.659 4.949 6.348 1.00 0.00 C ATOM 1071 C THR A 69 -2.128 6.385 6.320 1.00 0.00 C ATOM 1072 O THR A 69 -2.174 7.089 7.333 1.00 0.00 O ATOM 1073 CB THR A 69 -3.437 4.632 5.047 1.00 0.00 C ATOM 1074 OG1 THR A 69 -2.550 4.602 3.921 1.00 0.00 O ATOM 1075 CG2 THR A 69 -4.540 5.658 4.806 1.00 0.00 C ATOM 0 H THR A 69 -4.018 5.602 7.788 1.00 0.00 H new ATOM 0 HA THR A 69 -1.815 4.262 6.415 1.00 0.00 H new ATOM 0 HB THR A 69 -3.894 3.649 5.165 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.059 4.399 3.109 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.071 5.412 3.886 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.238 5.645 5.643 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.100 6.651 4.717 1.00 0.00 H new ATOM 1083 N ASN A 70 -1.659 6.821 5.161 1.00 0.00 N ATOM 1084 CA ASN A 70 -1.102 8.153 5.009 1.00 0.00 C ATOM 1085 C ASN A 70 -2.146 9.062 4.367 1.00 0.00 C ATOM 1086 O ASN A 70 -2.874 8.642 3.469 1.00 0.00 O ATOM 1087 CB ASN A 70 0.182 8.079 4.172 1.00 0.00 C ATOM 1088 CG ASN A 70 0.902 9.408 4.040 1.00 0.00 C ATOM 1089 OD1 ASN A 70 0.683 10.157 3.091 1.00 0.00 O ATOM 1090 ND2 ASN A 70 1.757 9.717 5.007 1.00 0.00 N ATOM 0 H ASN A 70 -1.654 6.265 4.306 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.841 8.571 5.981 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.858 7.353 4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.064 7.709 3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.260 10.604 4.979 1.00 0.00 H new ATOM 0 HD22 ASN A 70 1.911 9.068 5.778 1.00 0.00 H new ATOM 1097 N PRO A 71 -2.253 10.306 4.853 1.00 0.00 N ATOM 1098 CA PRO A 71 -3.352 11.223 4.533 1.00 0.00 C ATOM 1099 C PRO A 71 -3.248 11.882 3.156 1.00 0.00 C ATOM 1100 O PRO A 71 -2.394 11.533 2.344 1.00 0.00 O ATOM 1101 CB PRO A 71 -3.262 12.295 5.635 1.00 0.00 C ATOM 1102 CG PRO A 71 -2.155 11.867 6.547 1.00 0.00 C ATOM 1103 CD PRO A 71 -1.291 10.932 5.757 1.00 0.00 C ATOM 0 HA PRO A 71 -4.297 10.682 4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.056 13.276 5.207 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.204 12.375 6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.582 12.728 6.892 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.552 11.373 7.434 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.509 11.462 5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.796 10.199 6.395 1.00 0.00 H new ATOM 1111 N THR A 72 -4.157 12.835 2.923 1.00 0.00 N ATOM 1112 CA THR A 72 -4.204 13.641 1.700 1.00 0.00 C ATOM 1113 C THR A 72 -4.938 12.922 0.565 1.00 0.00 C ATOM 1114 O THR A 72 -4.314 12.440 -0.380 1.00 0.00 O ATOM 1115 CB THR A 72 -2.799 14.074 1.217 1.00 0.00 C ATOM 1116 OG1 THR A 72 -2.006 14.510 2.332 1.00 0.00 O ATOM 1117 CG2 THR A 72 -2.897 15.200 0.196 1.00 0.00 C ATOM 0 H THR A 72 -4.892 13.071 3.590 1.00 0.00 H new ATOM 0 HA THR A 72 -4.763 14.538 1.966 1.00 0.00 H new ATOM 0 HB THR A 72 -2.325 13.213 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.118 14.780 2.016 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.896 15.486 -0.127 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.474 14.861 -0.665 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.391 16.060 0.649 1.00 0.00 H new ATOM 1125 N GLY A 73 -6.268 12.854 0.682 1.00 0.00 N ATOM 1126 CA GLY A 73 -7.106 12.285 -0.368 1.00 0.00 C ATOM 1127 C GLY A 73 -6.636 10.926 -0.848 1.00 0.00 C ATOM 1128 O GLY A 73 -6.410 10.730 -2.043 1.00 0.00 O ATOM 0 H GLY A 73 -6.784 13.188 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.128 12.197 0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.131 12.972 -1.214 1.00 0.00 H new ATOM 1132 N CYS A 74 -6.500 9.990 0.075 1.00 0.00 N ATOM 1133 CA CYS A 74 -5.957 8.682 -0.240 1.00 0.00 C ATOM 1134 C CYS A 74 -7.055 7.629 -0.380 1.00 0.00 C ATOM 1135 O CYS A 74 -8.247 7.946 -0.310 1.00 0.00 O ATOM 1136 CB CYS A 74 -4.970 8.280 0.851 1.00 0.00 C ATOM 1137 SG CYS A 74 -5.598 8.531 2.527 1.00 0.00 S ATOM 0 H CYS A 74 -6.760 10.114 1.054 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.447 8.741 -1.202 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.709 7.229 0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -4.051 8.854 0.727 1.00 0.00 H new ATOM 0 HG CYS A 74 -4.600 8.640 3.353 1.00 0.00 H new ATOM 1143 N LEU A 75 -6.621 6.381 -0.580 1.00 0.00 N ATOM 1144 CA LEU A 75 -7.505 5.221 -0.712 1.00 0.00 C ATOM 1145 C LEU A 75 -8.238 5.190 -2.044 1.00 0.00 C ATOM 1146 O LEU A 75 -8.941 6.127 -2.414 1.00 0.00 O ATOM 1147 CB LEU A 75 -8.514 5.124 0.440 1.00 0.00 C ATOM 1148 CG LEU A 75 -8.014 4.410 1.698 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -7.456 3.042 1.345 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -6.972 5.244 2.420 1.00 0.00 C ATOM 0 H LEU A 75 -5.631 6.146 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.848 4.352 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.823 6.133 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.402 4.606 0.079 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.861 4.276 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.105 2.548 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.237 2.439 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.625 3.157 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.634 4.713 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.124 5.419 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.409 6.199 2.711 1.00 0.00 H new ATOM 1162 N TYR A 76 -8.060 4.091 -2.759 1.00 0.00 N ATOM 1163 CA TYR A 76 -8.794 3.843 -3.984 1.00 0.00 C ATOM 1164 C TYR A 76 -9.912 2.853 -3.679 1.00 0.00 C ATOM 1165 O TYR A 76 -9.758 1.642 -3.852 1.00 0.00 O ATOM 1166 CB TYR A 76 -7.852 3.305 -5.067 1.00 0.00 C ATOM 1167 CG TYR A 76 -8.458 3.264 -6.451 1.00 0.00 C ATOM 1168 CD1 TYR A 76 -9.016 4.403 -7.020 1.00 0.00 C ATOM 1169 CD2 TYR A 76 -8.472 2.087 -7.189 1.00 0.00 C ATOM 1170 CE1 TYR A 76 -9.569 4.371 -8.286 1.00 0.00 C ATOM 1171 CE2 TYR A 76 -9.022 2.047 -8.457 1.00 0.00 C ATOM 1172 CZ TYR A 76 -9.569 3.192 -9.000 1.00 0.00 C ATOM 1173 OH TYR A 76 -10.118 3.158 -10.264 1.00 0.00 O ATOM 0 H TYR A 76 -7.406 3.351 -2.506 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.227 4.769 -4.362 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.956 3.925 -5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.536 2.299 -4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.017 5.328 -6.463 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.047 1.189 -6.766 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.999 5.265 -8.714 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.024 1.125 -9.019 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.037 2.253 -10.632 1.00 0.00 H new ATOM 1183 N ASN A 77 -11.014 3.385 -3.173 1.00 0.00 N ATOM 1184 CA ASN A 77 -12.112 2.571 -2.666 1.00 0.00 C ATOM 1185 C ASN A 77 -13.127 2.257 -3.757 1.00 0.00 C ATOM 1186 O ASN A 77 -13.115 2.877 -4.822 1.00 0.00 O ATOM 1187 CB ASN A 77 -12.809 3.306 -1.510 1.00 0.00 C ATOM 1188 CG ASN A 77 -11.979 3.329 -0.242 1.00 0.00 C ATOM 1189 OD1 ASN A 77 -11.264 2.375 0.066 1.00 0.00 O ATOM 1190 ND2 ASN A 77 -12.060 4.422 0.500 1.00 0.00 N ATOM 0 H ASN A 77 -11.174 4.390 -3.102 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.695 1.628 -2.312 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -13.026 4.330 -1.815 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.765 2.825 -1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.518 4.495 1.361 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.664 5.191 0.211 1.00 0.00 H new ATOM 1197 N PRO A 78 -13.999 1.257 -3.517 1.00 0.00 N ATOM 1198 CA PRO A 78 -15.147 0.985 -4.385 1.00 0.00 C ATOM 1199 C PRO A 78 -16.008 2.229 -4.570 1.00 0.00 C ATOM 1200 O PRO A 78 -16.037 3.111 -3.709 1.00 0.00 O ATOM 1201 CB PRO A 78 -15.923 -0.097 -3.629 1.00 0.00 C ATOM 1202 CG PRO A 78 -14.902 -0.771 -2.783 1.00 0.00 C ATOM 1203 CD PRO A 78 -13.915 0.297 -2.401 1.00 0.00 C ATOM 0 HA PRO A 78 -14.848 0.678 -5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.717 0.337 -3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -16.395 -0.800 -4.316 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -15.359 -1.215 -1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.413 -1.578 -3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -14.175 0.763 -1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.908 -0.107 -2.293 1.00 0.00 H new ATOM 1211 N LYS A 79 -16.737 2.280 -5.671 1.00 0.00 N ATOM 1212 CA LYS A 79 -17.450 3.492 -6.071 1.00 0.00 C ATOM 1213 C LYS A 79 -18.794 3.620 -5.354 1.00 0.00 C ATOM 1214 O LYS A 79 -19.735 4.202 -5.898 1.00 0.00 O ATOM 1215 CB LYS A 79 -17.669 3.471 -7.584 1.00 0.00 C ATOM 1216 CG LYS A 79 -16.397 3.195 -8.369 1.00 0.00 C ATOM 1217 CD LYS A 79 -16.658 3.117 -9.866 1.00 0.00 C ATOM 1218 CE LYS A 79 -17.639 2.008 -10.224 1.00 0.00 C ATOM 1219 NZ LYS A 79 -17.135 0.664 -9.832 1.00 0.00 N ATOM 0 H LYS A 79 -16.854 1.494 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.843 4.353 -5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -18.411 2.710 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -18.082 4.430 -7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.669 3.981 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -15.957 2.258 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -17.050 4.072 -10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.716 2.949 -10.389 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -18.592 2.195 -9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -17.828 2.025 -11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -17.776 -0.068 -10.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.184 0.521 -10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.092 0.598 -8.795 1.00 0.00 H new ATOM 1233 N LEU A 80 -18.854 3.125 -4.116 1.00 0.00 N ATOM 1234 CA LEU A 80 -20.102 3.052 -3.355 1.00 0.00 C ATOM 1235 C LEU A 80 -21.165 2.344 -4.188 1.00 0.00 C ATOM 1236 O LEU A 80 -22.134 2.947 -4.658 1.00 0.00 O ATOM 1237 CB LEU A 80 -20.570 4.449 -2.926 1.00 0.00 C ATOM 1238 CG LEU A 80 -21.770 4.476 -1.972 1.00 0.00 C ATOM 1239 CD1 LEU A 80 -21.457 3.710 -0.694 1.00 0.00 C ATOM 1240 CD2 LEU A 80 -22.157 5.910 -1.644 1.00 0.00 C ATOM 0 H LEU A 80 -18.042 2.765 -3.615 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.929 2.478 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.736 4.962 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -20.825 5.019 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 80 -22.611 3.992 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -22.321 3.741 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -21.224 2.674 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -20.601 4.166 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -23.010 5.911 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -21.316 6.414 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -22.423 6.434 -2.562 1.00 0.00 H new ATOM 1252 N GLU A 81 -20.951 1.055 -4.377 1.00 0.00 N ATOM 1253 CA GLU A 81 -21.745 0.259 -5.294 1.00 0.00 C ATOM 1254 C GLU A 81 -22.769 -0.583 -4.543 1.00 0.00 C ATOM 1255 O GLU A 81 -23.014 -0.369 -3.357 1.00 0.00 O ATOM 1256 CB GLU A 81 -20.808 -0.636 -6.102 1.00 0.00 C ATOM 1257 CG GLU A 81 -19.797 0.150 -6.921 1.00 0.00 C ATOM 1258 CD GLU A 81 -18.493 -0.593 -7.123 1.00 0.00 C ATOM 1259 OE1 GLU A 81 -18.512 -1.835 -7.183 1.00 0.00 O ATOM 1260 OE2 GLU A 81 -17.439 0.075 -7.232 1.00 0.00 O ATOM 0 H GLU A 81 -20.220 0.530 -3.898 1.00 0.00 H new ATOM 0 HA GLU A 81 -22.294 0.922 -5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -20.277 -1.304 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -21.399 -1.263 -6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -20.229 0.385 -7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -19.595 1.099 -6.425 1.00 0.00 H new ATOM 1267 N HIS A 82 -23.363 -1.544 -5.240 1.00 0.00 N ATOM 1268 CA HIS A 82 -24.357 -2.421 -4.637 1.00 0.00 C ATOM 1269 C HIS A 82 -23.676 -3.515 -3.821 1.00 0.00 C ATOM 1270 O HIS A 82 -22.450 -3.644 -3.842 1.00 0.00 O ATOM 1271 CB HIS A 82 -25.248 -3.049 -5.713 1.00 0.00 C ATOM 1272 CG HIS A 82 -26.103 -2.060 -6.444 1.00 0.00 C ATOM 1273 ND1 HIS A 82 -26.110 -1.941 -7.816 1.00 0.00 N ATOM 1274 CD2 HIS A 82 -26.994 -1.148 -5.984 1.00 0.00 C ATOM 1275 CE1 HIS A 82 -26.965 -0.998 -8.170 1.00 0.00 C ATOM 1276 NE2 HIS A 82 -27.513 -0.504 -7.078 1.00 0.00 N ATOM 0 H HIS A 82 -23.173 -1.735 -6.224 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.981 -1.822 -3.974 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -24.618 -3.572 -6.433 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -25.890 -3.797 -5.248 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -27.248 -0.963 -4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -27.178 -0.685 -9.182 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -28.212 0.239 -7.051 1.00 0.00 H new ATOM 1285 N HIS A 83 -24.475 -4.313 -3.122 1.00 0.00 N ATOM 1286 CA HIS A 83 -23.946 -5.388 -2.292 1.00 0.00 C ATOM 1287 C HIS A 83 -23.476 -6.528 -3.187 1.00 0.00 C ATOM 1288 O HIS A 83 -24.265 -7.386 -3.580 1.00 0.00 O ATOM 1289 CB HIS A 83 -25.003 -5.899 -1.300 1.00 0.00 C ATOM 1290 CG HIS A 83 -25.575 -4.836 -0.407 1.00 0.00 C ATOM 1291 ND1 HIS A 83 -25.002 -4.460 0.789 1.00 0.00 N ATOM 1292 CD2 HIS A 83 -26.687 -4.073 -0.542 1.00 0.00 C ATOM 1293 CE1 HIS A 83 -25.736 -3.513 1.349 1.00 0.00 C ATOM 1294 NE2 HIS A 83 -26.761 -3.262 0.561 1.00 0.00 N ATOM 0 H HIS A 83 -25.492 -4.236 -3.114 1.00 0.00 H new ATOM 0 HA HIS A 83 -23.107 -5.000 -1.714 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -25.815 -6.363 -1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -24.557 -6.677 -0.680 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -27.385 -4.099 -1.366 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -25.530 -3.028 2.292 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -27.492 -2.575 0.742 1.00 0.00 H new ATOM 1303 N HIS A 84 -22.201 -6.504 -3.543 1.00 0.00 N ATOM 1304 CA HIS A 84 -21.652 -7.469 -4.487 1.00 0.00 C ATOM 1305 C HIS A 84 -21.486 -8.848 -3.864 1.00 0.00 C ATOM 1306 O HIS A 84 -20.673 -9.051 -2.962 1.00 0.00 O ATOM 1307 CB HIS A 84 -20.315 -6.982 -5.055 1.00 0.00 C ATOM 1308 CG HIS A 84 -20.468 -6.083 -6.241 1.00 0.00 C ATOM 1309 ND1 HIS A 84 -20.031 -4.776 -6.271 1.00 0.00 N ATOM 1310 CD2 HIS A 84 -21.007 -6.323 -7.458 1.00 0.00 C ATOM 1311 CE1 HIS A 84 -20.298 -4.254 -7.454 1.00 0.00 C ATOM 1312 NE2 HIS A 84 -20.890 -5.173 -8.191 1.00 0.00 N ATOM 0 H HIS A 84 -21.525 -5.826 -3.192 1.00 0.00 H new ATOM 0 HA HIS A 84 -22.370 -7.557 -5.302 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.768 -6.453 -4.275 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -19.712 -7.845 -5.337 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -21.448 -7.251 -7.790 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -20.070 -3.245 -7.765 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -21.209 -5.047 -9.152 1.00 0.00 H new ATOM 1321 N HIS A 85 -22.274 -9.791 -4.355 1.00 0.00 N ATOM 1322 CA HIS A 85 -22.149 -11.186 -3.969 1.00 0.00 C ATOM 1323 C HIS A 85 -20.947 -11.792 -4.691 1.00 0.00 C ATOM 1324 O HIS A 85 -20.931 -11.858 -5.917 1.00 0.00 O ATOM 1325 CB HIS A 85 -23.440 -11.927 -4.339 1.00 0.00 C ATOM 1326 CG HIS A 85 -23.516 -13.348 -3.869 1.00 0.00 C ATOM 1327 ND1 HIS A 85 -24.248 -13.738 -2.769 1.00 0.00 N ATOM 1328 CD2 HIS A 85 -22.975 -14.479 -4.376 1.00 0.00 C ATOM 1329 CE1 HIS A 85 -24.151 -15.046 -2.619 1.00 0.00 C ATOM 1330 NE2 HIS A 85 -23.385 -15.520 -3.581 1.00 0.00 N ATOM 0 H HIS A 85 -23.016 -9.611 -5.031 1.00 0.00 H new ATOM 0 HA HIS A 85 -21.994 -11.274 -2.894 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -24.286 -11.378 -3.926 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -23.550 -11.913 -5.423 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -22.338 -14.550 -5.245 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -24.620 -15.629 -1.840 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -23.137 -16.501 -3.713 1.00 0.00 H new ATOM 1339 N HIS A 86 -19.935 -12.205 -3.938 1.00 0.00 N ATOM 1340 CA HIS A 86 -18.704 -12.722 -4.538 1.00 0.00 C ATOM 1341 C HIS A 86 -18.935 -14.118 -5.104 1.00 0.00 C ATOM 1342 O HIS A 86 -18.875 -14.326 -6.315 1.00 0.00 O ATOM 1343 CB HIS A 86 -17.555 -12.744 -3.518 1.00 0.00 C ATOM 1344 CG HIS A 86 -17.141 -11.385 -3.029 1.00 0.00 C ATOM 1345 ND1 HIS A 86 -16.151 -11.188 -2.090 1.00 0.00 N ATOM 1346 CD2 HIS A 86 -17.602 -10.149 -3.344 1.00 0.00 C ATOM 1347 CE1 HIS A 86 -16.025 -9.896 -1.848 1.00 0.00 C ATOM 1348 NE2 HIS A 86 -16.892 -9.243 -2.597 1.00 0.00 N ATOM 0 H HIS A 86 -19.938 -12.194 -2.918 1.00 0.00 H new ATOM 0 HA HIS A 86 -18.421 -12.054 -5.351 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -17.854 -13.350 -2.663 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.692 -13.234 -3.969 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -18.384 -9.920 -4.053 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -15.329 -9.449 -1.153 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -17.015 -8.231 -2.618 1.00 0.00 H new ATOM 1357 N HIS A 87 -19.223 -15.064 -4.225 1.00 0.00 N ATOM 1358 CA HIS A 87 -19.536 -16.422 -4.639 1.00 0.00 C ATOM 1359 C HIS A 87 -20.718 -16.926 -3.830 1.00 0.00 C ATOM 1360 O HIS A 87 -21.627 -17.549 -4.412 1.00 0.00 O ATOM 1361 CB HIS A 87 -18.322 -17.363 -4.496 1.00 0.00 C ATOM 1362 CG HIS A 87 -17.815 -17.566 -3.092 1.00 0.00 C ATOM 1363 ND1 HIS A 87 -16.578 -17.123 -2.669 1.00 0.00 N ATOM 1364 CD2 HIS A 87 -18.364 -18.198 -2.023 1.00 0.00 C ATOM 1365 CE1 HIS A 87 -16.393 -17.472 -1.409 1.00 0.00 C ATOM 1366 NE2 HIS A 87 -17.460 -18.122 -0.996 1.00 0.00 N ATOM 1367 OXT HIS A 87 -20.765 -16.624 -2.622 1.00 0.00 O ATOM 0 H HIS A 87 -19.246 -14.915 -3.216 1.00 0.00 H new ATOM 0 HA HIS A 87 -19.796 -16.413 -5.697 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -18.588 -18.335 -4.911 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.507 -16.970 -5.104 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -19.333 -18.673 -1.989 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -15.515 -17.260 -0.818 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -17.593 -18.508 -0.061 1.00 0.00 H new TER 1376 HIS A 87 HETATM 1377 ZN ZN A 150 6.436 3.248 -5.677 1.00 0.00 ZN