USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1000 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 128 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Set 1.2: A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 101 SER OG : rot -90:sc= 1.12 USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 80 THR OG1 : rot -170:sc= 0 USER MOD Set 3.2: A 86 SER OG : rot 100:sc= 0.365 USER MOD Set 4.1: A 40 SER OG : rot -30:sc= -1.71! USER MOD Set 4.2: A 63 LYS NZ :NH3+ -104:sc= 1.14 (180deg=-1.14) USER MOD Set 5.1: A 28 THR OG1 : rot -5:sc= 0.704 USER MOD Set 5.2: A 47 THR OG1 : rot -77:sc= 0.599 USER MOD Single : A 0 MET CE :methyl -157:sc= -0.267 (180deg=-1.12) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASN :FLIP amide:sc= -5.8! C(o=-10!,f=-5.8!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 29:sc= 0.95 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.066) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 27 THR OG1 : rot 150:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.0208 (180deg=-0.238) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.713 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.368! USER MOD Single : A 37 TYR OH : rot 30:sc= -2.07! USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc=-0.00588 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 44 GLN : amide:sc= -0.0887 K(o=-0.089,f=-0.74) USER MOD Single : A 45 THR OG1 : rot 16:sc= 0.295 USER MOD Single : A 49 ASN :FLIP amide:sc= -8.68! C(o=-13!,f=-8.7!) USER MOD Single : A 50 SER OG : rot -55:sc= 0.36 USER MOD Single : A 56 TYR OH : rot 146:sc= -0.89! USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 109:sc= 1.23 USER MOD Single : A 67 HIS : no HD1:sc= 0.435 K(o=0.44,f=-4.2!) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 75 GLN : amide:sc= -0.927 K(o=-0.93,f=-5.6!) USER MOD Single : A 79 LYS NZ :NH3+ -132:sc= 0 (180deg=-1.73!) USER MOD Single : A 83 SER OG : rot 32:sc= 0.0989 USER MOD Single : A 87 GLN : amide:sc= -3.17! X(o=-3.2!,f=-2.9) USER MOD Single : A 91 SER OG : rot 44:sc= -2.92! USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -97:sc= 1.43 USER MOD Single : A 109 GLN : amide:sc=-0.00431 K(o=-0.0043,f=-0.89) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.0398 X(o=-0.04,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-2.6!) USER MOD Single : A 129 HIS : no HD1:sc= -0.055 K(o=-0.055,f=-0.71) USER MOD Single : A 131 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-0.84) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 35.462 -2.418 -2.324 1.00 0.00 N ATOM 2 CA MET A 0 34.354 -2.611 -3.296 1.00 0.00 C ATOM 3 C MET A 0 33.030 -2.130 -2.714 1.00 0.00 C ATOM 4 O MET A 0 32.434 -2.797 -1.868 1.00 0.00 O ATOM 5 CB MET A 0 34.246 -4.087 -3.687 1.00 0.00 C ATOM 6 CG MET A 0 33.104 -4.380 -4.648 1.00 0.00 C ATOM 7 SD MET A 0 33.082 -6.096 -5.198 1.00 0.00 S ATOM 8 CE MET A 0 34.709 -6.233 -5.935 1.00 0.00 C ATOM 0 H1 MET A 0 36.353 -2.753 -2.743 1.00 0.00 H new ATOM 0 H2 MET A 0 35.547 -1.408 -2.090 1.00 0.00 H new ATOM 0 H3 MET A 0 35.262 -2.958 -1.458 1.00 0.00 H new ATOM 0 HA MET A 0 34.575 -2.020 -4.185 1.00 0.00 H new ATOM 0 HB2 MET A 0 35.184 -4.403 -4.143 1.00 0.00 H new ATOM 0 HB3 MET A 0 34.113 -4.684 -2.785 1.00 0.00 H new ATOM 0 HG2 MET A 0 32.157 -4.146 -4.162 1.00 0.00 H new ATOM 0 HG3 MET A 0 33.188 -3.726 -5.516 1.00 0.00 H new ATOM 0 HE1 MET A 0 34.713 -7.048 -6.658 1.00 0.00 H new ATOM 0 HE2 MET A 0 34.960 -5.300 -6.439 1.00 0.00 H new ATOM 0 HE3 MET A 0 35.445 -6.434 -5.157 1.00 0.00 H new ATOM 20 N ASN A 1 32.577 -0.968 -3.171 1.00 0.00 N ATOM 21 CA ASN A 1 31.322 -0.399 -2.697 1.00 0.00 C ATOM 22 C ASN A 1 30.143 -0.937 -3.500 1.00 0.00 C ATOM 23 O ASN A 1 30.320 -1.723 -4.432 1.00 0.00 O ATOM 24 CB ASN A 1 31.364 1.126 -2.774 1.00 0.00 C ATOM 25 CG ASN A 1 31.926 1.744 -1.512 1.00 0.00 C ATOM 26 OD1 ASN A 1 31.050 2.015 -0.553 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 33.131 1.974 -1.398 1.00 0.00 N flip ATOM 0 H ASN A 1 33.060 -0.402 -3.869 1.00 0.00 H new ATOM 0 HA ASN A 1 31.189 -0.693 -1.656 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.971 1.429 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.358 1.508 -2.947 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.768 1.749 -2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 1 33.492 2.390 -0.539 1.00 0.00 H new ATOM 34 N CYS A 2 28.939 -0.505 -3.136 1.00 0.00 N ATOM 35 CA CYS A 2 27.729 -0.959 -3.812 1.00 0.00 C ATOM 36 C CYS A 2 27.320 -0.040 -4.954 1.00 0.00 C ATOM 37 O CYS A 2 26.542 -0.437 -5.824 1.00 0.00 O ATOM 38 CB CYS A 2 26.580 -1.057 -2.814 1.00 0.00 C ATOM 39 SG CYS A 2 26.988 -0.440 -1.156 1.00 0.00 S ATOM 0 H CYS A 2 28.776 0.158 -2.378 1.00 0.00 H new ATOM 0 HA CYS A 2 27.951 -1.939 -4.235 1.00 0.00 H new ATOM 0 HB2 CYS A 2 25.728 -0.497 -3.200 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.267 -2.098 -2.736 1.00 0.00 H new ATOM 44 N GLY A 3 27.834 1.183 -4.961 1.00 0.00 N ATOM 45 CA GLY A 3 27.469 2.135 -5.992 1.00 0.00 C ATOM 46 C GLY A 3 26.183 2.858 -5.635 1.00 0.00 C ATOM 47 O GLY A 3 25.414 2.363 -4.811 1.00 0.00 O ATOM 0 H GLY A 3 28.498 1.533 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.273 2.859 -6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 3 27.347 1.617 -6.943 1.00 0.00 H new ATOM 51 N PRO A 4 25.915 4.034 -6.231 1.00 0.00 N ATOM 52 CA PRO A 4 24.700 4.799 -5.938 1.00 0.00 C ATOM 53 C PRO A 4 23.442 3.933 -5.972 1.00 0.00 C ATOM 54 O PRO A 4 23.130 3.314 -6.990 1.00 0.00 O ATOM 55 CB PRO A 4 24.669 5.847 -7.045 1.00 0.00 C ATOM 56 CG PRO A 4 26.104 6.054 -7.392 1.00 0.00 C ATOM 57 CD PRO A 4 26.764 4.710 -7.230 1.00 0.00 C ATOM 0 HA PRO A 4 24.716 5.224 -4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.097 5.500 -7.906 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.204 6.772 -6.705 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.210 6.421 -8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 4 26.561 6.796 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 4 26.794 4.160 -8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.793 4.806 -6.884 1.00 0.00 H new ATOM 65 N PRO A 5 22.706 3.883 -4.846 1.00 0.00 N ATOM 66 CA PRO A 5 21.479 3.088 -4.727 1.00 0.00 C ATOM 67 C PRO A 5 20.511 3.310 -5.886 1.00 0.00 C ATOM 68 O PRO A 5 20.554 4.341 -6.556 1.00 0.00 O ATOM 69 CB PRO A 5 20.863 3.586 -3.419 1.00 0.00 C ATOM 70 CG PRO A 5 22.021 4.060 -2.614 1.00 0.00 C ATOM 71 CD PRO A 5 23.017 4.607 -3.600 1.00 0.00 C ATOM 0 HA PRO A 5 21.691 2.019 -4.743 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.149 4.390 -3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.324 2.789 -2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.714 4.827 -1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.453 3.244 -2.035 1.00 0.00 H new ATOM 0 HD2 PRO A 5 22.907 5.684 -3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.042 4.426 -3.276 1.00 0.00 H new ATOM 79 N PRO A 6 19.620 2.333 -6.134 1.00 0.00 N ATOM 80 CA PRO A 6 18.632 2.403 -7.204 1.00 0.00 C ATOM 81 C PRO A 6 17.369 3.142 -6.783 1.00 0.00 C ATOM 82 O PRO A 6 17.231 3.630 -5.661 1.00 0.00 O ATOM 83 CB PRO A 6 18.296 0.927 -7.483 1.00 0.00 C ATOM 84 CG PRO A 6 19.021 0.116 -6.449 1.00 0.00 C ATOM 85 CD PRO A 6 19.504 1.073 -5.396 1.00 0.00 C ATOM 0 HA PRO A 6 19.017 2.946 -8.067 1.00 0.00 H new ATOM 0 HB2 PRO A 6 17.221 0.757 -7.424 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.609 0.642 -8.487 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.360 -0.634 -6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 6 19.859 -0.419 -6.897 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.800 1.152 -4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.459 0.762 -4.974 1.00 0.00 H new ATOM 93 N THR A 7 16.457 3.197 -7.748 1.00 0.00 N ATOM 94 CA THR A 7 15.155 3.828 -7.586 1.00 0.00 C ATOM 95 C THR A 7 14.111 2.727 -7.435 1.00 0.00 C ATOM 96 O THR A 7 13.195 2.629 -8.254 1.00 0.00 O ATOM 97 CB THR A 7 14.806 4.694 -8.814 1.00 0.00 C ATOM 98 OG1 THR A 7 15.881 5.600 -9.091 1.00 0.00 O ATOM 99 CG2 THR A 7 13.527 5.484 -8.577 1.00 0.00 C ATOM 0 H THR A 7 16.605 2.799 -8.676 1.00 0.00 H new ATOM 0 HA THR A 7 15.173 4.473 -6.708 1.00 0.00 H new ATOM 0 HB THR A 7 14.653 4.031 -9.666 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.655 6.146 -9.873 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.303 6.086 -9.457 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.703 4.795 -8.389 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.657 6.137 -7.714 1.00 0.00 H new ATOM 107 N LEU A 8 14.249 1.886 -6.414 1.00 0.00 N ATOM 108 CA LEU A 8 13.326 0.765 -6.245 1.00 0.00 C ATOM 109 C LEU A 8 11.889 1.209 -6.484 1.00 0.00 C ATOM 110 O LEU A 8 11.392 2.106 -5.812 1.00 0.00 O ATOM 111 CB LEU A 8 13.446 0.179 -4.837 1.00 0.00 C ATOM 112 CG LEU A 8 14.769 0.468 -4.130 1.00 0.00 C ATOM 113 CD1 LEU A 8 14.682 0.090 -2.660 1.00 0.00 C ATOM 114 CD2 LEU A 8 15.910 -0.269 -4.809 1.00 0.00 C ATOM 0 H LEU A 8 14.976 1.955 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 8 13.590 0.002 -6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.632 0.569 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.311 -0.901 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 8 14.968 1.538 -4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.633 0.303 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.892 0.669 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.458 -0.973 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.844 -0.050 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.720 -1.342 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.986 0.056 -5.847 1.00 0.00 H new ATOM 126 N SER A 9 11.221 0.587 -7.445 1.00 0.00 N ATOM 127 CA SER A 9 9.841 0.946 -7.741 1.00 0.00 C ATOM 128 C SER A 9 8.939 0.587 -6.563 1.00 0.00 C ATOM 129 O SER A 9 7.742 0.865 -6.576 1.00 0.00 O ATOM 130 CB SER A 9 9.359 0.245 -9.012 1.00 0.00 C ATOM 131 OG SER A 9 10.117 0.649 -10.139 1.00 0.00 O ATOM 0 H SER A 9 11.605 -0.158 -8.026 1.00 0.00 H new ATOM 0 HA SER A 9 9.793 2.022 -7.906 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.437 -0.835 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.306 0.472 -9.178 1.00 0.00 H new ATOM 0 HG SER A 9 9.789 0.185 -10.937 1.00 0.00 H new ATOM 137 N PHE A 10 9.535 -0.036 -5.551 1.00 0.00 N ATOM 138 CA PHE A 10 8.814 -0.433 -4.350 1.00 0.00 C ATOM 139 C PHE A 10 9.408 0.260 -3.126 1.00 0.00 C ATOM 140 O PHE A 10 9.596 -0.365 -2.082 1.00 0.00 O ATOM 141 CB PHE A 10 8.870 -1.954 -4.178 1.00 0.00 C ATOM 142 CG PHE A 10 10.235 -2.533 -4.421 1.00 0.00 C ATOM 143 CD1 PHE A 10 10.664 -2.813 -5.709 1.00 0.00 C ATOM 144 CD2 PHE A 10 11.092 -2.792 -3.363 1.00 0.00 C ATOM 145 CE1 PHE A 10 11.920 -3.341 -5.937 1.00 0.00 C ATOM 146 CE2 PHE A 10 12.350 -3.319 -3.585 1.00 0.00 C ATOM 147 CZ PHE A 10 12.765 -3.594 -4.874 1.00 0.00 C ATOM 0 H PHE A 10 10.526 -0.278 -5.541 1.00 0.00 H new ATOM 0 HA PHE A 10 7.771 -0.131 -4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.550 -2.210 -3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.160 -2.416 -4.864 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.008 -2.616 -6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.773 -2.579 -2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.241 -3.556 -6.946 1.00 0.00 H new ATOM 0 HE2 PHE A 10 13.008 -3.516 -2.752 1.00 0.00 H new ATOM 0 HZ PHE A 10 13.748 -4.006 -5.050 1.00 0.00 H new ATOM 157 N ALA A 11 9.665 1.564 -3.273 1.00 0.00 N ATOM 158 CA ALA A 11 10.251 2.403 -2.223 1.00 0.00 C ATOM 159 C ALA A 11 10.981 3.583 -2.856 1.00 0.00 C ATOM 160 O ALA A 11 11.479 3.509 -3.974 1.00 0.00 O ATOM 161 CB ALA A 11 11.205 1.618 -1.333 1.00 0.00 C ATOM 0 H ALA A 11 9.469 2.072 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 11 9.438 2.765 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.616 2.278 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.666 0.800 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.017 1.213 -1.938 1.00 0.00 H new ATOM 167 N ALA A 12 11.040 4.670 -2.105 1.00 0.00 N ATOM 168 CA ALA A 12 11.746 5.857 -2.567 1.00 0.00 C ATOM 169 C ALA A 12 12.688 6.382 -1.486 1.00 0.00 C ATOM 170 O ALA A 12 12.369 6.316 -0.302 1.00 0.00 O ATOM 171 CB ALA A 12 10.755 6.936 -2.976 1.00 0.00 C ATOM 0 H ALA A 12 10.613 4.757 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 12 12.343 5.583 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.297 7.817 -3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.123 6.563 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.134 7.203 -2.121 1.00 0.00 H new ATOM 177 N PRO A 13 13.863 6.912 -1.875 1.00 0.00 N ATOM 178 CA PRO A 13 14.839 7.446 -0.920 1.00 0.00 C ATOM 179 C PRO A 13 14.188 8.343 0.132 1.00 0.00 C ATOM 180 O PRO A 13 13.164 8.971 -0.132 1.00 0.00 O ATOM 181 CB PRO A 13 15.786 8.251 -1.808 1.00 0.00 C ATOM 182 CG PRO A 13 15.737 7.554 -3.125 1.00 0.00 C ATOM 183 CD PRO A 13 14.332 7.031 -3.269 1.00 0.00 C ATOM 0 HA PRO A 13 15.334 6.660 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.464 9.289 -1.895 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.798 8.264 -1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.983 8.238 -3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.461 6.740 -3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.707 7.713 -3.846 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.312 6.070 -3.782 1.00 0.00 H new ATOM 191 N MET A 14 14.782 8.401 1.322 1.00 0.00 N ATOM 192 CA MET A 14 14.230 9.225 2.394 1.00 0.00 C ATOM 193 C MET A 14 15.294 9.602 3.421 1.00 0.00 C ATOM 194 O MET A 14 15.057 10.439 4.293 1.00 0.00 O ATOM 195 CB MET A 14 13.084 8.482 3.084 1.00 0.00 C ATOM 196 CG MET A 14 12.294 9.342 4.058 1.00 0.00 C ATOM 197 SD MET A 14 11.609 10.820 3.283 1.00 0.00 S ATOM 198 CE MET A 14 10.733 11.552 4.662 1.00 0.00 C ATOM 0 H MET A 14 15.633 7.895 1.566 1.00 0.00 H new ATOM 0 HA MET A 14 13.856 10.146 1.947 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.406 8.093 2.324 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.490 7.623 3.619 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.483 8.751 4.484 1.00 0.00 H new ATOM 0 HG3 MET A 14 12.941 9.636 4.884 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.255 12.477 4.340 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.974 10.857 5.021 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.436 11.768 5.466 1.00 0.00 H new ATOM 208 N ASP A 15 16.464 8.987 3.315 1.00 0.00 N ATOM 209 CA ASP A 15 17.557 9.262 4.239 1.00 0.00 C ATOM 210 C ASP A 15 18.861 8.705 3.697 1.00 0.00 C ATOM 211 O ASP A 15 19.204 7.547 3.941 1.00 0.00 O ATOM 212 CB ASP A 15 17.260 8.655 5.608 1.00 0.00 C ATOM 213 CG ASP A 15 18.198 9.167 6.684 1.00 0.00 C ATOM 214 OD1 ASP A 15 19.328 8.647 6.783 1.00 0.00 O ATOM 215 OD2 ASP A 15 17.801 10.089 7.427 1.00 0.00 O ATOM 0 H ASP A 15 16.681 8.294 2.599 1.00 0.00 H new ATOM 0 HA ASP A 15 17.654 10.342 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.232 8.883 5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.340 7.570 5.546 1.00 0.00 H new ATOM 220 N ILE A 16 19.580 9.530 2.953 1.00 0.00 N ATOM 221 CA ILE A 16 20.833 9.111 2.361 1.00 0.00 C ATOM 222 C ILE A 16 21.659 10.291 1.889 1.00 0.00 C ATOM 223 O ILE A 16 22.879 10.192 1.764 1.00 0.00 O ATOM 224 CB ILE A 16 20.559 8.185 1.165 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.819 7.988 0.321 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.426 8.746 0.320 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.654 6.972 -0.788 1.00 0.00 C ATOM 0 H ILE A 16 19.315 10.493 2.747 1.00 0.00 H new ATOM 0 HA ILE A 16 21.397 8.584 3.131 1.00 0.00 H new ATOM 0 HB ILE A 16 20.261 7.209 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 16 22.107 8.945 -0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.636 7.674 0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 16 19.239 8.083 -0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.524 8.824 0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.702 9.734 -0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.588 6.885 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.396 6.004 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.859 7.294 -1.461 1.00 0.00 H new ATOM 239 N THR A 17 20.987 11.408 1.668 1.00 0.00 N ATOM 240 CA THR A 17 21.633 12.608 1.158 1.00 0.00 C ATOM 241 C THR A 17 22.465 12.258 -0.063 1.00 0.00 C ATOM 242 O THR A 17 23.526 11.642 0.047 1.00 0.00 O ATOM 243 CB THR A 17 22.530 13.295 2.199 1.00 0.00 C ATOM 244 OG1 THR A 17 23.435 12.354 2.787 1.00 0.00 O ATOM 245 CG2 THR A 17 21.694 13.956 3.286 1.00 0.00 C ATOM 0 H THR A 17 19.986 11.510 1.835 1.00 0.00 H new ATOM 0 HA THR A 17 20.840 13.309 0.900 1.00 0.00 H new ATOM 0 HB THR A 17 23.106 14.065 1.685 1.00 0.00 H new ATOM 0 HG1 THR A 17 23.631 11.642 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 17 22.352 14.435 4.011 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.041 14.705 2.838 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.089 13.202 3.789 1.00 0.00 H new ATOM 253 N LEU A 18 21.986 12.657 -1.227 1.00 0.00 N ATOM 254 CA LEU A 18 22.666 12.350 -2.466 1.00 0.00 C ATOM 255 C LEU A 18 23.906 13.217 -2.665 1.00 0.00 C ATOM 256 O LEU A 18 24.191 13.668 -3.773 1.00 0.00 O ATOM 257 CB LEU A 18 21.702 12.522 -3.633 1.00 0.00 C ATOM 258 CG LEU A 18 20.940 11.254 -4.027 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.914 10.157 -4.429 1.00 0.00 C ATOM 260 CD2 LEU A 18 20.054 10.783 -2.883 1.00 0.00 C ATOM 0 H LEU A 18 21.127 13.195 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 18 23.003 11.314 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.981 13.299 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.261 12.877 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 18 20.303 11.486 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.359 9.261 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 18 22.510 10.492 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.573 9.930 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.521 9.881 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.671 10.567 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.335 11.564 -2.635 1.00 0.00 H new ATOM 272 N THR A 19 24.641 13.435 -1.583 1.00 0.00 N ATOM 273 CA THR A 19 25.857 14.229 -1.627 1.00 0.00 C ATOM 274 C THR A 19 27.075 13.316 -1.678 1.00 0.00 C ATOM 275 O THR A 19 28.207 13.772 -1.854 1.00 0.00 O ATOM 276 CB THR A 19 25.962 15.153 -0.400 1.00 0.00 C ATOM 277 OG1 THR A 19 26.218 14.379 0.777 1.00 0.00 O ATOM 278 CG2 THR A 19 24.677 15.947 -0.216 1.00 0.00 C ATOM 0 H THR A 19 24.412 13.069 -0.659 1.00 0.00 H new ATOM 0 HA THR A 19 25.822 14.846 -2.525 1.00 0.00 H new ATOM 0 HB THR A 19 26.786 15.848 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.285 14.975 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 19 24.771 16.594 0.656 1.00 0.00 H new ATOM 0 HG22 THR A 19 24.496 16.556 -1.102 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.843 15.261 -0.070 1.00 0.00 H new ATOM 286 N GLU A 20 26.825 12.019 -1.520 1.00 0.00 N ATOM 287 CA GLU A 20 27.884 11.016 -1.549 1.00 0.00 C ATOM 288 C GLU A 20 27.884 10.276 -2.882 1.00 0.00 C ATOM 289 O GLU A 20 27.261 10.716 -3.848 1.00 0.00 O ATOM 290 CB GLU A 20 27.697 10.019 -0.403 1.00 0.00 C ATOM 291 CG GLU A 20 27.741 10.655 0.977 1.00 0.00 C ATOM 292 CD GLU A 20 29.101 11.237 1.308 1.00 0.00 C ATOM 293 OE1 GLU A 20 30.054 10.449 1.490 1.00 0.00 O ATOM 294 OE2 GLU A 20 29.213 12.478 1.383 1.00 0.00 O ATOM 0 H GLU A 20 25.891 11.637 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 20 28.841 11.523 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.741 9.511 -0.528 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.474 9.257 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 20 26.989 11.442 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.478 9.908 1.726 1.00 0.00 H new ATOM 301 N THR A 21 28.588 9.150 -2.924 1.00 0.00 N ATOM 302 CA THR A 21 28.669 8.346 -4.138 1.00 0.00 C ATOM 303 C THR A 21 28.776 6.861 -3.819 1.00 0.00 C ATOM 304 O THR A 21 28.216 6.022 -4.526 1.00 0.00 O ATOM 305 CB THR A 21 29.876 8.749 -4.999 1.00 0.00 C ATOM 306 OG1 THR A 21 30.996 9.061 -4.161 1.00 0.00 O ATOM 307 CG2 THR A 21 29.544 9.942 -5.882 1.00 0.00 C ATOM 0 H THR A 21 29.110 8.774 -2.133 1.00 0.00 H new ATOM 0 HA THR A 21 27.749 8.532 -4.692 1.00 0.00 H new ATOM 0 HB THR A 21 30.129 7.906 -5.642 1.00 0.00 H new ATOM 0 HG1 THR A 21 31.761 9.315 -4.718 1.00 0.00 H new ATOM 0 HG21 THR A 21 30.416 10.206 -6.480 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.715 9.687 -6.542 1.00 0.00 H new ATOM 0 HG23 THR A 21 29.263 10.790 -5.257 1.00 0.00 H new ATOM 315 N ARG A 22 29.499 6.542 -2.752 1.00 0.00 N ATOM 316 CA ARG A 22 29.687 5.155 -2.342 1.00 0.00 C ATOM 317 C ARG A 22 29.191 4.949 -0.914 1.00 0.00 C ATOM 318 O ARG A 22 29.060 5.911 -0.157 1.00 0.00 O ATOM 319 CB ARG A 22 31.157 4.769 -2.419 1.00 0.00 C ATOM 320 CG ARG A 22 31.805 5.062 -3.763 1.00 0.00 C ATOM 321 CD ARG A 22 33.250 4.591 -3.794 1.00 0.00 C ATOM 322 NE ARG A 22 33.910 4.915 -5.055 1.00 0.00 N ATOM 323 CZ ARG A 22 34.884 4.182 -5.587 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.298 3.080 -4.977 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.442 4.550 -6.732 1.00 0.00 N ATOM 0 H ARG A 22 29.965 7.225 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 22 29.112 4.524 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.703 5.302 -1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.254 3.705 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.242 4.569 -4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.765 6.133 -3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.798 5.050 -2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.282 3.513 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 22 33.607 5.750 -5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.869 2.792 -4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.045 2.520 -5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.124 5.396 -7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.189 3.987 -7.139 1.00 0.00 H new ATOM 339 N PHE A 23 28.918 3.699 -0.542 1.00 0.00 N ATOM 340 CA PHE A 23 28.441 3.382 0.804 1.00 0.00 C ATOM 341 C PHE A 23 28.975 2.013 1.241 1.00 0.00 C ATOM 342 O PHE A 23 28.580 0.984 0.698 1.00 0.00 O ATOM 343 CB PHE A 23 26.909 3.393 0.838 1.00 0.00 C ATOM 344 CG PHE A 23 26.286 4.566 0.125 1.00 0.00 C ATOM 345 CD1 PHE A 23 26.259 4.613 -1.260 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.737 5.623 0.836 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.704 5.687 -1.922 1.00 0.00 C ATOM 348 CE2 PHE A 23 25.175 6.701 0.177 1.00 0.00 C ATOM 349 CZ PHE A 23 25.160 6.733 -1.203 1.00 0.00 C ATOM 0 H PHE A 23 29.019 2.889 -1.154 1.00 0.00 H new ATOM 0 HA PHE A 23 28.809 4.139 1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.540 2.471 0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.579 3.396 1.877 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.679 3.796 -1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.749 5.604 1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.695 5.710 -3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.748 7.517 0.741 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.723 7.575 -1.720 1.00 0.00 H new ATOM 359 N LYS A 24 29.879 2.013 2.222 1.00 0.00 N ATOM 360 CA LYS A 24 30.492 0.775 2.716 1.00 0.00 C ATOM 361 C LYS A 24 29.455 -0.270 3.113 1.00 0.00 C ATOM 362 O LYS A 24 28.259 0.010 3.176 1.00 0.00 O ATOM 363 CB LYS A 24 31.396 1.066 3.912 1.00 0.00 C ATOM 364 CG LYS A 24 30.791 2.045 4.908 1.00 0.00 C ATOM 365 CD LYS A 24 31.732 2.311 6.073 1.00 0.00 C ATOM 366 CE LYS A 24 32.997 3.025 5.621 1.00 0.00 C ATOM 367 NZ LYS A 24 32.726 4.428 5.204 1.00 0.00 N ATOM 0 H LYS A 24 30.205 2.858 2.692 1.00 0.00 H new ATOM 0 HA LYS A 24 31.081 0.369 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.619 0.130 4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.344 1.466 3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.562 2.983 4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.849 1.647 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.221 2.915 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.997 1.367 6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.725 3.022 6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.444 2.480 4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.627 4.924 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.175 4.428 4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.186 4.913 5.949 1.00 0.00 H new ATOM 381 N THR A 25 29.938 -1.483 3.388 1.00 0.00 N ATOM 382 CA THR A 25 29.073 -2.585 3.782 1.00 0.00 C ATOM 383 C THR A 25 28.434 -2.338 5.145 1.00 0.00 C ATOM 384 O THR A 25 27.553 -3.087 5.568 1.00 0.00 O ATOM 385 CB THR A 25 29.830 -3.925 3.808 1.00 0.00 C ATOM 386 OG1 THR A 25 31.187 -3.717 4.214 1.00 0.00 O ATOM 387 CG2 THR A 25 29.793 -4.612 2.441 1.00 0.00 C ATOM 0 H THR A 25 30.928 -1.723 3.343 1.00 0.00 H new ATOM 0 HA THR A 25 28.287 -2.642 3.029 1.00 0.00 H new ATOM 0 HB THR A 25 29.334 -4.576 4.528 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.659 -4.576 4.229 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.336 -5.555 2.493 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.758 -4.804 2.158 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.258 -3.966 1.696 1.00 0.00 H new ATOM 395 N GLY A 26 28.877 -1.287 5.831 1.00 0.00 N ATOM 396 CA GLY A 26 28.326 -0.953 7.134 1.00 0.00 C ATOM 397 C GLY A 26 27.335 0.191 7.046 1.00 0.00 C ATOM 398 O GLY A 26 27.040 0.854 8.040 1.00 0.00 O ATOM 0 H GLY A 26 29.611 -0.658 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.834 -1.829 7.557 1.00 0.00 H new ATOM 0 HA3 GLY A 26 29.135 -0.683 7.813 1.00 0.00 H new ATOM 402 N THR A 27 26.823 0.414 5.841 1.00 0.00 N ATOM 403 CA THR A 27 25.862 1.484 5.599 1.00 0.00 C ATOM 404 C THR A 27 24.447 0.927 5.504 1.00 0.00 C ATOM 405 O THR A 27 24.255 -0.254 5.221 1.00 0.00 O ATOM 406 CB THR A 27 26.185 2.257 4.307 1.00 0.00 C ATOM 407 OG1 THR A 27 25.633 3.578 4.379 1.00 0.00 O ATOM 408 CG2 THR A 27 25.620 1.541 3.091 1.00 0.00 C ATOM 0 H THR A 27 27.058 -0.134 5.014 1.00 0.00 H new ATOM 0 HA THR A 27 25.931 2.170 6.443 1.00 0.00 H new ATOM 0 HB THR A 27 27.269 2.315 4.207 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.190 4.194 3.858 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.861 2.107 2.191 1.00 0.00 H new ATOM 0 HG22 THR A 27 26.055 0.544 3.021 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.537 1.458 3.188 1.00 0.00 H new ATOM 416 N THR A 28 23.458 1.781 5.736 1.00 0.00 N ATOM 417 CA THR A 28 22.064 1.364 5.671 1.00 0.00 C ATOM 418 C THR A 28 21.145 2.555 5.428 1.00 0.00 C ATOM 419 O THR A 28 21.178 3.537 6.169 1.00 0.00 O ATOM 420 CB THR A 28 21.633 0.643 6.963 1.00 0.00 C ATOM 421 OG1 THR A 28 22.362 -0.583 7.108 1.00 0.00 O ATOM 422 CG2 THR A 28 20.141 0.352 6.955 1.00 0.00 C ATOM 0 H THR A 28 23.595 2.764 5.970 1.00 0.00 H new ATOM 0 HA THR A 28 21.978 0.670 4.835 1.00 0.00 H new ATOM 0 HB THR A 28 21.852 1.299 7.805 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.915 -0.731 6.312 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.865 -0.157 7.878 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.588 1.288 6.877 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.899 -0.284 6.104 1.00 0.00 H new ATOM 430 N LEU A 29 20.326 2.461 4.384 1.00 0.00 N ATOM 431 CA LEU A 29 19.422 3.545 4.028 1.00 0.00 C ATOM 432 C LEU A 29 18.088 3.425 4.759 1.00 0.00 C ATOM 433 O LEU A 29 17.913 2.563 5.620 1.00 0.00 O ATOM 434 CB LEU A 29 19.180 3.560 2.515 1.00 0.00 C ATOM 435 CG LEU A 29 20.410 3.852 1.646 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.180 5.048 2.184 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.309 2.629 1.558 1.00 0.00 C ATOM 0 H LEU A 29 20.271 1.646 3.772 1.00 0.00 H new ATOM 0 HA LEU A 29 19.894 4.479 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.772 2.593 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.417 4.307 2.295 1.00 0.00 H new ATOM 0 HG LEU A 29 20.065 4.095 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.048 5.236 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.534 5.926 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 29 21.511 4.840 3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.175 2.858 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.643 2.350 2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 29 20.755 1.801 1.116 1.00 0.00 H new ATOM 449 N LYS A 30 17.151 4.302 4.407 1.00 0.00 N ATOM 450 CA LYS A 30 15.822 4.297 5.010 1.00 0.00 C ATOM 451 C LYS A 30 14.768 3.980 3.956 1.00 0.00 C ATOM 452 O LYS A 30 14.205 2.886 3.934 1.00 0.00 O ATOM 453 CB LYS A 30 15.519 5.653 5.656 1.00 0.00 C ATOM 454 CG LYS A 30 14.695 5.550 6.931 1.00 0.00 C ATOM 455 CD LYS A 30 13.263 5.131 6.642 1.00 0.00 C ATOM 456 CE LYS A 30 12.518 4.773 7.918 1.00 0.00 C ATOM 457 NZ LYS A 30 13.047 3.526 8.537 1.00 0.00 N ATOM 0 H LYS A 30 17.289 5.028 3.704 1.00 0.00 H new ATOM 0 HA LYS A 30 15.798 3.528 5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.459 6.157 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.986 6.277 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.156 4.828 7.605 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.696 6.512 7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.742 5.941 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.263 4.275 5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.600 5.595 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.458 4.647 7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.348 3.148 9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.231 2.821 7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.932 3.737 9.041 1.00 0.00 H new ATOM 471 N TYR A 31 14.517 4.952 3.082 1.00 0.00 N ATOM 472 CA TYR A 31 13.544 4.800 2.004 1.00 0.00 C ATOM 473 C TYR A 31 12.127 4.594 2.536 1.00 0.00 C ATOM 474 O TYR A 31 11.894 3.809 3.454 1.00 0.00 O ATOM 475 CB TYR A 31 13.938 3.639 1.085 1.00 0.00 C ATOM 476 CG TYR A 31 15.098 3.959 0.166 1.00 0.00 C ATOM 477 CD1 TYR A 31 16.303 4.434 0.670 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.985 3.786 -1.208 1.00 0.00 C ATOM 479 CE1 TYR A 31 17.362 4.729 -0.170 1.00 0.00 C ATOM 480 CE2 TYR A 31 16.039 4.078 -2.053 1.00 0.00 C ATOM 481 CZ TYR A 31 17.223 4.549 -1.529 1.00 0.00 C ATOM 482 OH TYR A 31 18.274 4.843 -2.368 1.00 0.00 O ATOM 0 H TYR A 31 14.979 5.861 3.101 1.00 0.00 H new ATOM 0 HA TYR A 31 13.549 5.727 1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.198 2.775 1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.075 3.355 0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.415 4.575 1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 31 14.058 3.417 -1.622 1.00 0.00 H new ATOM 0 HE1 TYR A 31 18.292 5.098 0.237 1.00 0.00 H new ATOM 0 HE2 TYR A 31 15.935 3.938 -3.119 1.00 0.00 H new ATOM 0 HH TYR A 31 18.014 4.660 -3.295 1.00 0.00 H new ATOM 492 N THR A 32 11.186 5.313 1.934 1.00 0.00 N ATOM 493 CA THR A 32 9.780 5.234 2.307 1.00 0.00 C ATOM 494 C THR A 32 8.997 4.503 1.218 1.00 0.00 C ATOM 495 O THR A 32 9.580 4.046 0.236 1.00 0.00 O ATOM 496 CB THR A 32 9.195 6.645 2.531 1.00 0.00 C ATOM 497 OG1 THR A 32 7.766 6.620 2.449 1.00 0.00 O ATOM 498 CG2 THR A 32 9.755 7.625 1.513 1.00 0.00 C ATOM 0 H THR A 32 11.377 5.966 1.174 1.00 0.00 H new ATOM 0 HA THR A 32 9.697 4.679 3.241 1.00 0.00 H new ATOM 0 HB THR A 32 9.482 6.973 3.530 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.414 7.523 2.595 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.330 8.614 1.688 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.839 7.673 1.613 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.497 7.292 0.508 1.00 0.00 H new ATOM 506 N CYS A 33 7.683 4.384 1.385 1.00 0.00 N ATOM 507 CA CYS A 33 6.862 3.690 0.397 1.00 0.00 C ATOM 508 C CYS A 33 5.616 4.494 0.032 1.00 0.00 C ATOM 509 O CYS A 33 4.794 4.847 0.877 1.00 0.00 O ATOM 510 CB CYS A 33 6.458 2.313 0.932 1.00 0.00 C ATOM 511 SG CYS A 33 7.869 1.248 1.381 1.00 0.00 S ATOM 0 H CYS A 33 7.169 4.754 2.184 1.00 0.00 H new ATOM 0 HA CYS A 33 7.457 3.572 -0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.824 2.447 1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.857 1.804 0.178 1.00 0.00 H new ATOM 516 N LEU A 34 5.528 4.770 -1.273 1.00 0.00 N ATOM 517 CA LEU A 34 4.451 5.555 -1.874 1.00 0.00 C ATOM 518 C LEU A 34 3.066 5.129 -1.383 1.00 0.00 C ATOM 519 O LEU A 34 2.920 4.110 -0.713 1.00 0.00 O ATOM 520 CB LEU A 34 4.530 5.425 -3.399 1.00 0.00 C ATOM 521 CG LEU A 34 5.894 5.770 -4.008 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.899 5.482 -5.501 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.246 7.226 -3.743 1.00 0.00 C ATOM 0 H LEU A 34 6.217 4.447 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 34 4.586 6.593 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.274 4.402 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.776 6.074 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 34 6.650 5.144 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.875 5.733 -5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.694 4.425 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.131 6.082 -5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.217 7.451 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.488 7.870 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.285 7.401 -2.668 1.00 0.00 H new ATOM 535 N PRO A 35 2.025 5.926 -1.698 1.00 0.00 N ATOM 536 CA PRO A 35 0.651 5.620 -1.294 1.00 0.00 C ATOM 537 C PRO A 35 0.077 4.408 -2.027 1.00 0.00 C ATOM 538 O PRO A 35 -0.290 4.495 -3.199 1.00 0.00 O ATOM 539 CB PRO A 35 -0.126 6.885 -1.669 1.00 0.00 C ATOM 540 CG PRO A 35 0.670 7.505 -2.764 1.00 0.00 C ATOM 541 CD PRO A 35 2.105 7.195 -2.451 1.00 0.00 C ATOM 0 HA PRO A 35 0.593 5.364 -0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.137 6.646 -2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.221 7.559 -0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.384 7.098 -3.734 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.503 8.581 -2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.700 7.087 -3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.567 7.985 -1.859 1.00 0.00 H new ATOM 549 N GLY A 36 0.014 3.281 -1.326 1.00 0.00 N ATOM 550 CA GLY A 36 -0.537 2.078 -1.929 1.00 0.00 C ATOM 551 C GLY A 36 0.083 0.801 -1.394 1.00 0.00 C ATOM 552 O GLY A 36 -0.424 -0.293 -1.645 1.00 0.00 O ATOM 0 H GLY A 36 0.330 3.177 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.613 2.052 -1.755 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.390 2.121 -3.008 1.00 0.00 H new ATOM 556 N TYR A 37 1.177 0.936 -0.654 1.00 0.00 N ATOM 557 CA TYR A 37 1.841 -0.218 -0.063 1.00 0.00 C ATOM 558 C TYR A 37 1.217 -0.513 1.291 1.00 0.00 C ATOM 559 O TYR A 37 0.825 0.413 2.004 1.00 0.00 O ATOM 560 CB TYR A 37 3.340 0.044 0.134 1.00 0.00 C ATOM 561 CG TYR A 37 4.112 0.404 -1.117 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.003 1.664 -1.688 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.984 -0.506 -1.703 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.736 2.008 -2.808 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.716 -0.171 -2.827 1.00 0.00 C ATOM 566 CZ TYR A 37 5.590 1.088 -3.373 1.00 0.00 C ATOM 567 OH TYR A 37 6.322 1.429 -4.486 1.00 0.00 O ATOM 0 H TYR A 37 1.622 1.831 -0.450 1.00 0.00 H new ATOM 0 HA TYR A 37 1.719 -1.065 -0.739 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.457 0.852 0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.791 -0.845 0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.333 2.389 -1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.092 -1.491 -1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.639 2.994 -3.238 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.383 -0.892 -3.275 1.00 0.00 H new ATOM 0 HH TYR A 37 6.509 2.391 -4.472 1.00 0.00 H new ATOM 577 N VAL A 38 1.114 -1.783 1.661 1.00 0.00 N ATOM 578 CA VAL A 38 0.561 -2.196 2.938 1.00 0.00 C ATOM 579 C VAL A 38 1.602 -3.027 3.668 1.00 0.00 C ATOM 580 O VAL A 38 2.789 -2.965 3.351 1.00 0.00 O ATOM 581 CB VAL A 38 -0.733 -3.009 2.751 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.746 -2.201 1.957 1.00 0.00 C ATOM 583 CG2 VAL A 38 -0.448 -4.335 2.063 1.00 0.00 C ATOM 0 H VAL A 38 1.416 -2.561 1.075 1.00 0.00 H new ATOM 0 HA VAL A 38 0.308 -1.310 3.521 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.149 -3.226 3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.658 -2.785 1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.976 -1.280 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.331 -1.958 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.378 -4.890 1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.007 -4.149 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.246 -4.917 2.669 1.00 0.00 H new ATOM 593 N ARG A 39 1.158 -3.808 4.642 1.00 0.00 N ATOM 594 CA ARG A 39 2.078 -4.632 5.411 1.00 0.00 C ATOM 595 C ARG A 39 1.777 -6.120 5.278 1.00 0.00 C ATOM 596 O ARG A 39 0.621 -6.540 5.267 1.00 0.00 O ATOM 597 CB ARG A 39 2.048 -4.220 6.885 1.00 0.00 C ATOM 598 CG ARG A 39 0.757 -4.594 7.597 1.00 0.00 C ATOM 599 CD ARG A 39 0.746 -4.096 9.034 1.00 0.00 C ATOM 600 NE ARG A 39 0.820 -2.640 9.108 1.00 0.00 N ATOM 601 CZ ARG A 39 0.904 -1.962 10.249 1.00 0.00 C ATOM 602 NH1 ARG A 39 0.940 -2.606 11.408 1.00 0.00 N ATOM 603 NH2 ARG A 39 0.957 -0.636 10.231 1.00 0.00 N ATOM 0 H ARG A 39 0.179 -3.888 4.916 1.00 0.00 H new ATOM 0 HA ARG A 39 3.075 -4.467 5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.886 -4.688 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.192 -3.142 6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.092 -4.172 7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.635 -5.677 7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.162 -4.439 9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.587 -4.530 9.575 1.00 0.00 H new ATOM 0 HE ARG A 39 0.807 -2.113 8.235 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.903 -3.625 11.426 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.004 -2.082 12.281 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.933 -0.137 9.342 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.021 -0.116 11.106 1.00 0.00 H new ATOM 617 N SER A 40 2.846 -6.904 5.173 1.00 0.00 N ATOM 618 CA SER A 40 2.739 -8.352 5.057 1.00 0.00 C ATOM 619 C SER A 40 3.953 -9.021 5.695 1.00 0.00 C ATOM 620 O SER A 40 3.947 -10.223 5.962 1.00 0.00 O ATOM 621 CB SER A 40 2.619 -8.767 3.591 1.00 0.00 C ATOM 622 OG SER A 40 1.426 -8.263 3.017 1.00 0.00 O ATOM 0 H SER A 40 3.804 -6.555 5.166 1.00 0.00 H new ATOM 0 HA SER A 40 1.840 -8.675 5.582 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.480 -8.398 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.632 -9.854 3.515 1.00 0.00 H new ATOM 0 HG SER A 40 0.736 -8.190 3.709 1.00 0.00 H new ATOM 628 N HIS A 41 4.994 -8.227 5.934 1.00 0.00 N ATOM 629 CA HIS A 41 6.219 -8.723 6.551 1.00 0.00 C ATOM 630 C HIS A 41 6.690 -7.771 7.646 1.00 0.00 C ATOM 631 O HIS A 41 6.321 -7.924 8.811 1.00 0.00 O ATOM 632 CB HIS A 41 7.322 -8.896 5.502 1.00 0.00 C ATOM 633 CG HIS A 41 7.013 -9.928 4.462 1.00 0.00 C ATOM 634 ND1 HIS A 41 7.195 -11.279 4.666 1.00 0.00 N ATOM 635 CD2 HIS A 41 6.535 -9.799 3.202 1.00 0.00 C ATOM 636 CE1 HIS A 41 6.845 -11.938 3.575 1.00 0.00 C ATOM 637 NE2 HIS A 41 6.441 -11.063 2.672 1.00 0.00 N ATOM 0 H HIS A 41 5.012 -7.233 5.708 1.00 0.00 H new ATOM 0 HA HIS A 41 6.003 -9.694 6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 41 7.495 -7.939 5.010 1.00 0.00 H new ATOM 0 HB3 HIS A 41 8.250 -9.168 6.006 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.276 -8.875 2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 41 6.883 -13.009 3.444 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.112 -11.289 1.733 1.00 0.00 H new ATOM 646 N SER A 42 7.499 -6.784 7.262 1.00 0.00 N ATOM 647 CA SER A 42 8.020 -5.800 8.209 1.00 0.00 C ATOM 648 C SER A 42 8.936 -4.798 7.509 1.00 0.00 C ATOM 649 O SER A 42 8.469 -3.892 6.818 1.00 0.00 O ATOM 650 CB SER A 42 8.773 -6.496 9.346 1.00 0.00 C ATOM 651 OG SER A 42 9.211 -5.561 10.316 1.00 0.00 O ATOM 0 H SER A 42 7.808 -6.645 6.300 1.00 0.00 H new ATOM 0 HA SER A 42 7.173 -5.256 8.628 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.125 -7.236 9.816 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.630 -7.034 8.942 1.00 0.00 H new ATOM 0 HG SER A 42 9.687 -6.031 11.032 1.00 0.00 H new ATOM 657 N THR A 43 10.241 -4.969 7.692 1.00 0.00 N ATOM 658 CA THR A 43 11.226 -4.086 7.081 1.00 0.00 C ATOM 659 C THR A 43 12.582 -4.776 6.963 1.00 0.00 C ATOM 660 O THR A 43 12.778 -5.865 7.505 1.00 0.00 O ATOM 661 CB THR A 43 11.377 -2.789 7.884 1.00 0.00 C ATOM 662 OG1 THR A 43 12.298 -1.904 7.232 1.00 0.00 O ATOM 663 CG2 THR A 43 11.860 -3.094 9.284 1.00 0.00 C ATOM 0 H THR A 43 10.642 -5.715 8.261 1.00 0.00 H new ATOM 0 HA THR A 43 10.867 -3.841 6.081 1.00 0.00 H new ATOM 0 HB THR A 43 10.403 -2.303 7.943 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.384 -1.079 7.754 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.963 -2.164 9.844 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.140 -3.741 9.785 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.826 -3.597 9.234 1.00 0.00 H new ATOM 671 N GLN A 44 13.520 -4.144 6.258 1.00 0.00 N ATOM 672 CA GLN A 44 14.847 -4.726 6.080 1.00 0.00 C ATOM 673 C GLN A 44 15.891 -3.672 5.712 1.00 0.00 C ATOM 674 O GLN A 44 17.088 -3.907 5.874 1.00 0.00 O ATOM 675 CB GLN A 44 14.801 -5.813 5.003 1.00 0.00 C ATOM 676 CG GLN A 44 16.106 -6.581 4.850 1.00 0.00 C ATOM 677 CD GLN A 44 16.533 -7.270 6.131 1.00 0.00 C ATOM 678 OE1 GLN A 44 15.700 -7.652 6.953 1.00 0.00 O ATOM 679 NE2 GLN A 44 17.839 -7.434 6.306 1.00 0.00 N ATOM 0 H GLN A 44 13.387 -3.239 5.806 1.00 0.00 H new ATOM 0 HA GLN A 44 15.144 -5.164 7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.003 -6.515 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.546 -5.354 4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.994 -7.325 4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.891 -5.895 4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 44 18.494 -7.102 5.598 1.00 0.00 H new ATOM 0 HE22 GLN A 44 18.187 -7.892 7.148 1.00 0.00 H new ATOM 688 N THR A 45 15.439 -2.525 5.198 1.00 0.00 N ATOM 689 CA THR A 45 16.339 -1.438 4.811 1.00 0.00 C ATOM 690 C THR A 45 17.330 -1.900 3.753 1.00 0.00 C ATOM 691 O THR A 45 17.340 -3.065 3.360 1.00 0.00 O ATOM 692 CB THR A 45 17.107 -0.845 6.014 1.00 0.00 C ATOM 693 OG1 THR A 45 17.902 -1.848 6.654 1.00 0.00 O ATOM 694 CG2 THR A 45 16.146 -0.232 7.020 1.00 0.00 C ATOM 0 H THR A 45 14.451 -2.326 5.040 1.00 0.00 H new ATOM 0 HA THR A 45 15.706 -0.652 4.399 1.00 0.00 H new ATOM 0 HB THR A 45 17.765 -0.063 5.635 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.995 -2.621 6.059 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.709 0.179 7.858 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.576 0.564 6.541 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.462 -0.999 7.384 1.00 0.00 H new ATOM 702 N LEU A 46 18.163 -0.977 3.297 1.00 0.00 N ATOM 703 CA LEU A 46 19.145 -1.278 2.266 1.00 0.00 C ATOM 704 C LEU A 46 20.558 -1.171 2.825 1.00 0.00 C ATOM 705 O LEU A 46 21.065 -0.075 3.064 1.00 0.00 O ATOM 706 CB LEU A 46 18.967 -0.335 1.074 1.00 0.00 C ATOM 707 CG LEU A 46 17.864 -0.732 0.086 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.544 -0.970 0.805 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.695 0.338 -0.975 1.00 0.00 C ATOM 0 H LEU A 46 18.179 -0.011 3.625 1.00 0.00 H new ATOM 0 HA LEU A 46 18.989 -2.302 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.752 0.665 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.912 -0.276 0.534 1.00 0.00 H new ATOM 0 HG LEU A 46 18.163 -1.663 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.780 -1.250 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.665 -1.773 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.240 -0.058 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.908 0.041 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.424 1.281 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.631 0.462 -1.519 1.00 0.00 H new ATOM 721 N THR A 47 21.184 -2.325 3.033 1.00 0.00 N ATOM 722 CA THR A 47 22.544 -2.383 3.550 1.00 0.00 C ATOM 723 C THR A 47 23.480 -2.897 2.470 1.00 0.00 C ATOM 724 O THR A 47 23.052 -3.621 1.570 1.00 0.00 O ATOM 725 CB THR A 47 22.642 -3.315 4.774 1.00 0.00 C ATOM 726 OG1 THR A 47 21.573 -3.042 5.687 1.00 0.00 O ATOM 727 CG2 THR A 47 23.976 -3.140 5.486 1.00 0.00 C ATOM 0 H THR A 47 20.767 -3.237 2.850 1.00 0.00 H new ATOM 0 HA THR A 47 22.828 -1.375 3.854 1.00 0.00 H new ATOM 0 HB THR A 47 22.567 -4.344 4.422 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.777 -2.230 6.196 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.020 -3.809 6.346 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.789 -3.378 4.800 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.076 -2.108 5.823 1.00 0.00 H new ATOM 735 N CYS A 48 24.754 -2.531 2.544 1.00 0.00 N ATOM 736 CA CYS A 48 25.705 -2.993 1.553 1.00 0.00 C ATOM 737 C CYS A 48 26.184 -4.382 1.945 1.00 0.00 C ATOM 738 O CYS A 48 26.772 -4.579 3.008 1.00 0.00 O ATOM 739 CB CYS A 48 26.873 -2.021 1.421 1.00 0.00 C ATOM 740 SG CYS A 48 27.706 -2.076 -0.193 1.00 0.00 S ATOM 0 H CYS A 48 25.143 -1.927 3.268 1.00 0.00 H new ATOM 0 HA CYS A 48 25.221 -3.042 0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.510 -1.008 1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.602 -2.238 2.202 1.00 0.00 H new ATOM 745 N ASN A 49 25.916 -5.336 1.071 1.00 0.00 N ATOM 746 CA ASN A 49 26.329 -6.712 1.288 1.00 0.00 C ATOM 747 C ASN A 49 27.658 -6.977 0.588 1.00 0.00 C ATOM 748 O ASN A 49 28.262 -6.065 0.025 1.00 0.00 O ATOM 749 CB ASN A 49 25.253 -7.659 0.759 1.00 0.00 C ATOM 750 CG ASN A 49 24.748 -7.222 -0.599 1.00 0.00 C ATOM 751 OD1 ASN A 49 23.758 -6.341 -0.603 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 25.243 -7.665 -1.629 1.00 0.00 N flip ATOM 0 H ASN A 49 25.411 -5.182 0.198 1.00 0.00 H new ATOM 0 HA ASN A 49 26.460 -6.884 2.356 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.658 -8.669 0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.422 -7.696 1.463 1.00 0.00 H new ATOM 0 HD21 ASN A 49 26.004 -8.342 -1.579 1.00 0.00 H new ATOM 0 HD22 ASN A 49 24.894 -7.356 -2.536 1.00 0.00 H new ATOM 759 N SER A 50 28.110 -8.224 0.626 1.00 0.00 N ATOM 760 CA SER A 50 29.364 -8.592 -0.017 1.00 0.00 C ATOM 761 C SER A 50 29.088 -9.205 -1.393 1.00 0.00 C ATOM 762 O SER A 50 29.489 -10.330 -1.691 1.00 0.00 O ATOM 763 CB SER A 50 30.141 -9.572 0.862 1.00 0.00 C ATOM 764 OG SER A 50 31.362 -9.950 0.252 1.00 0.00 O ATOM 0 H SER A 50 27.630 -8.994 1.093 1.00 0.00 H new ATOM 0 HA SER A 50 29.970 -7.696 -0.151 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.342 -9.115 1.831 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.534 -10.458 1.047 1.00 0.00 H new ATOM 0 HG SER A 50 31.183 -10.310 -0.642 1.00 0.00 H new ATOM 770 N ASP A 51 28.392 -8.429 -2.217 1.00 0.00 N ATOM 771 CA ASP A 51 28.034 -8.809 -3.582 1.00 0.00 C ATOM 772 C ASP A 51 28.382 -7.668 -4.530 1.00 0.00 C ATOM 773 O ASP A 51 28.867 -7.887 -5.639 1.00 0.00 O ATOM 774 CB ASP A 51 26.538 -9.110 -3.675 1.00 0.00 C ATOM 775 CG ASP A 51 26.149 -10.350 -2.895 1.00 0.00 C ATOM 776 OD1 ASP A 51 25.973 -10.247 -1.663 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.021 -11.426 -3.518 1.00 0.00 O ATOM 0 H ASP A 51 28.055 -7.503 -1.953 1.00 0.00 H new ATOM 0 HA ASP A 51 28.591 -9.704 -3.859 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.974 -8.256 -3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.261 -9.240 -4.721 1.00 0.00 H new ATOM 782 N GLY A 52 28.130 -6.448 -4.072 1.00 0.00 N ATOM 783 CA GLY A 52 28.428 -5.279 -4.877 1.00 0.00 C ATOM 784 C GLY A 52 27.184 -4.441 -5.108 1.00 0.00 C ATOM 785 O GLY A 52 27.169 -3.498 -5.900 1.00 0.00 O ATOM 0 H GLY A 52 27.725 -6.247 -3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.189 -4.676 -4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.843 -5.590 -5.835 1.00 0.00 H new ATOM 789 N GLU A 53 26.140 -4.828 -4.379 1.00 0.00 N ATOM 790 CA GLU A 53 24.852 -4.146 -4.470 1.00 0.00 C ATOM 791 C GLU A 53 24.138 -4.082 -3.124 1.00 0.00 C ATOM 792 O GLU A 53 24.724 -4.347 -2.076 1.00 0.00 O ATOM 793 CB GLU A 53 23.959 -4.864 -5.484 1.00 0.00 C ATOM 794 CG GLU A 53 23.343 -6.150 -4.951 1.00 0.00 C ATOM 795 CD GLU A 53 22.692 -6.982 -6.038 1.00 0.00 C ATOM 796 OE1 GLU A 53 21.554 -6.653 -6.435 1.00 0.00 O ATOM 797 OE2 GLU A 53 23.319 -7.961 -6.491 1.00 0.00 O ATOM 0 H GLU A 53 26.160 -5.607 -3.721 1.00 0.00 H new ATOM 0 HA GLU A 53 25.046 -3.123 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.161 -4.190 -5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.546 -5.093 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.116 -6.742 -4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.599 -5.905 -4.193 1.00 0.00 H new ATOM 804 N TRP A 54 22.859 -3.716 -3.180 1.00 0.00 N ATOM 805 CA TRP A 54 22.025 -3.606 -2.003 1.00 0.00 C ATOM 806 C TRP A 54 21.088 -4.800 -1.884 1.00 0.00 C ATOM 807 O TRP A 54 20.222 -5.025 -2.729 1.00 0.00 O ATOM 808 CB TRP A 54 21.224 -2.314 -2.092 1.00 0.00 C ATOM 809 CG TRP A 54 22.075 -1.128 -2.420 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.314 -0.599 -3.656 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.816 -0.337 -1.494 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.160 0.480 -3.550 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.482 0.661 -2.230 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.978 -0.378 -0.111 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.299 1.611 -1.622 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.785 0.563 0.491 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.435 1.546 -0.264 1.00 0.00 C ATOM 0 H TRP A 54 22.378 -3.488 -4.050 1.00 0.00 H new ATOM 0 HA TRP A 54 22.657 -3.593 -1.115 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.451 -2.423 -2.852 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.716 -2.140 -1.143 1.00 0.00 H new ATOM 0 HD1 TRP A 54 21.900 -0.973 -4.581 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.493 1.052 -4.326 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.480 -1.134 0.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.805 2.369 -2.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.918 0.542 1.563 1.00 0.00 H new ATOM 0 HH2 TRP A 54 25.059 2.270 0.239 1.00 0.00 H new ATOM 828 N VAL A 55 21.287 -5.558 -0.815 1.00 0.00 N ATOM 829 CA VAL A 55 20.497 -6.746 -0.527 1.00 0.00 C ATOM 830 C VAL A 55 19.418 -6.399 0.491 1.00 0.00 C ATOM 831 O VAL A 55 19.616 -5.498 1.307 1.00 0.00 O ATOM 832 CB VAL A 55 21.388 -7.881 0.021 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.649 -8.710 1.056 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.892 -8.761 -1.112 1.00 0.00 C ATOM 0 H VAL A 55 22.006 -5.364 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 55 20.036 -7.092 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 55 22.247 -7.424 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.303 -9.501 1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.350 -8.072 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.763 -9.153 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.518 -9.555 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.044 -9.201 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.476 -8.159 -1.808 1.00 0.00 H new ATOM 844 N TYR A 56 18.291 -7.120 0.460 1.00 0.00 N ATOM 845 CA TYR A 56 17.220 -6.891 1.432 1.00 0.00 C ATOM 846 C TYR A 56 15.917 -7.571 1.024 1.00 0.00 C ATOM 847 O TYR A 56 15.810 -8.120 -0.073 1.00 0.00 O ATOM 848 CB TYR A 56 16.957 -5.393 1.617 1.00 0.00 C ATOM 849 CG TYR A 56 16.516 -4.703 0.345 1.00 0.00 C ATOM 850 CD1 TYR A 56 17.447 -4.186 -0.548 1.00 0.00 C ATOM 851 CD2 TYR A 56 15.169 -4.577 0.032 1.00 0.00 C ATOM 852 CE1 TYR A 56 17.048 -3.566 -1.716 1.00 0.00 C ATOM 853 CE2 TYR A 56 14.762 -3.957 -1.133 1.00 0.00 C ATOM 854 CZ TYR A 56 15.705 -3.454 -2.003 1.00 0.00 C ATOM 855 OH TYR A 56 15.305 -2.841 -3.167 1.00 0.00 O ATOM 0 H TYR A 56 18.100 -7.857 -0.219 1.00 0.00 H new ATOM 0 HA TYR A 56 17.561 -7.326 2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.191 -5.257 2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.864 -4.914 1.986 1.00 0.00 H new ATOM 0 HD1 TYR A 56 18.500 -4.270 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.427 -4.971 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.784 -3.171 -2.400 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.710 -3.867 -1.361 1.00 0.00 H new ATOM 0 HH TYR A 56 14.495 -3.277 -3.505 1.00 0.00 H new ATOM 865 N ASN A 57 14.927 -7.530 1.909 1.00 0.00 N ATOM 866 CA ASN A 57 13.631 -8.135 1.630 1.00 0.00 C ATOM 867 C ASN A 57 12.610 -7.059 1.278 1.00 0.00 C ATOM 868 O ASN A 57 12.843 -5.873 1.507 1.00 0.00 O ATOM 869 CB ASN A 57 13.145 -8.948 2.832 1.00 0.00 C ATOM 870 CG ASN A 57 14.057 -10.119 3.147 1.00 0.00 C ATOM 871 OD1 ASN A 57 14.753 -10.631 2.270 1.00 0.00 O ATOM 872 ND2 ASN A 57 14.052 -10.552 4.401 1.00 0.00 N ATOM 0 H ASN A 57 14.997 -7.085 2.824 1.00 0.00 H new ATOM 0 HA ASN A 57 13.743 -8.807 0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.079 -8.298 3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.139 -9.318 2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.641 -11.340 4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.459 -10.097 5.095 1.00 0.00 H new ATOM 879 N THR A 58 11.476 -7.475 0.726 1.00 0.00 N ATOM 880 CA THR A 58 10.433 -6.536 0.343 1.00 0.00 C ATOM 881 C THR A 58 9.632 -6.098 1.561 1.00 0.00 C ATOM 882 O THR A 58 8.608 -6.696 1.891 1.00 0.00 O ATOM 883 CB THR A 58 9.479 -7.144 -0.702 1.00 0.00 C ATOM 884 OG1 THR A 58 10.209 -7.995 -1.594 1.00 0.00 O ATOM 885 CG2 THR A 58 8.787 -6.049 -1.499 1.00 0.00 C ATOM 0 H THR A 58 11.258 -8.453 0.535 1.00 0.00 H new ATOM 0 HA THR A 58 10.926 -5.671 -0.100 1.00 0.00 H new ATOM 0 HB THR A 58 8.723 -7.728 -0.177 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.596 -8.379 -2.255 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.118 -6.500 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.212 -5.415 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.535 -5.446 -2.014 1.00 0.00 H new ATOM 893 N PHE A 59 10.113 -5.056 2.228 1.00 0.00 N ATOM 894 CA PHE A 59 9.450 -4.537 3.417 1.00 0.00 C ATOM 895 C PHE A 59 7.992 -4.198 3.131 1.00 0.00 C ATOM 896 O PHE A 59 7.084 -4.782 3.722 1.00 0.00 O ATOM 897 CB PHE A 59 10.182 -3.304 3.958 1.00 0.00 C ATOM 898 CG PHE A 59 10.928 -2.518 2.915 1.00 0.00 C ATOM 899 CD1 PHE A 59 12.233 -2.849 2.583 1.00 0.00 C ATOM 900 CD2 PHE A 59 10.330 -1.447 2.271 1.00 0.00 C ATOM 901 CE1 PHE A 59 12.925 -2.129 1.629 1.00 0.00 C ATOM 902 CE2 PHE A 59 11.017 -0.722 1.316 1.00 0.00 C ATOM 903 CZ PHE A 59 12.316 -1.064 0.993 1.00 0.00 C ATOM 0 H PHE A 59 10.961 -4.554 1.965 1.00 0.00 H new ATOM 0 HA PHE A 59 9.478 -5.319 4.176 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.457 -2.648 4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.885 -3.622 4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 59 12.714 -3.680 3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 59 9.314 -1.175 2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.941 -2.398 1.380 1.00 0.00 H new ATOM 0 HE2 PHE A 59 10.539 0.111 0.823 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.854 -0.500 0.245 1.00 0.00 H new ATOM 913 N CYS A 60 7.771 -3.252 2.226 1.00 0.00 N ATOM 914 CA CYS A 60 6.419 -2.849 1.867 1.00 0.00 C ATOM 915 C CYS A 60 5.860 -3.764 0.789 1.00 0.00 C ATOM 916 O CYS A 60 6.611 -4.356 0.013 1.00 0.00 O ATOM 917 CB CYS A 60 6.397 -1.403 1.370 1.00 0.00 C ATOM 918 SG CYS A 60 7.043 -0.184 2.560 1.00 0.00 S ATOM 0 H CYS A 60 8.508 -2.752 1.730 1.00 0.00 H new ATOM 0 HA CYS A 60 5.799 -2.925 2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.980 -1.339 0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.371 -1.135 1.116 1.00 0.00 H new ATOM 923 N ILE A 61 4.540 -3.878 0.744 1.00 0.00 N ATOM 924 CA ILE A 61 3.886 -4.715 -0.248 1.00 0.00 C ATOM 925 C ILE A 61 2.702 -3.992 -0.873 1.00 0.00 C ATOM 926 O ILE A 61 1.612 -3.932 -0.303 1.00 0.00 O ATOM 927 CB ILE A 61 3.426 -6.056 0.353 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.620 -6.850 -0.676 1.00 0.00 C ATOM 929 CG2 ILE A 61 2.614 -5.827 1.619 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.497 -8.321 -0.343 1.00 0.00 C ATOM 0 H ILE A 61 3.903 -3.402 1.383 1.00 0.00 H new ATOM 0 HA ILE A 61 4.621 -4.926 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 61 4.308 -6.637 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.622 -6.419 -0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.091 -6.745 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.299 -6.787 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.225 -5.303 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.735 -5.227 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.913 -8.821 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.490 -8.767 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.999 -8.436 0.620 1.00 0.00 H new ATOM 942 N TYR A 62 2.935 -3.436 -2.051 1.00 0.00 N ATOM 943 CA TYR A 62 1.911 -2.701 -2.773 1.00 0.00 C ATOM 944 C TYR A 62 0.800 -3.622 -3.256 1.00 0.00 C ATOM 945 O TYR A 62 1.016 -4.476 -4.115 1.00 0.00 O ATOM 946 CB TYR A 62 2.537 -1.977 -3.966 1.00 0.00 C ATOM 947 CG TYR A 62 1.825 -0.702 -4.351 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.444 -0.656 -4.496 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.543 0.465 -4.553 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.196 0.521 -4.835 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.915 1.646 -4.887 1.00 0.00 C ATOM 952 CZ TYR A 62 0.546 1.670 -5.027 1.00 0.00 C ATOM 953 OH TYR A 62 -0.083 2.846 -5.356 1.00 0.00 O ATOM 0 H TYR A 62 3.834 -3.481 -2.531 1.00 0.00 H new ATOM 0 HA TYR A 62 1.473 -1.974 -2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.576 -1.745 -3.733 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.545 -2.650 -4.823 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.138 -1.553 -4.342 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.618 0.450 -4.447 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.270 0.542 -4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.493 2.546 -5.038 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.045 3.461 -4.594 1.00 0.00 H new ATOM 963 N LYS A 63 -0.392 -3.442 -2.694 1.00 0.00 N ATOM 964 CA LYS A 63 -1.551 -4.236 -3.073 1.00 0.00 C ATOM 965 C LYS A 63 -2.828 -3.623 -2.503 1.00 0.00 C ATOM 966 O LYS A 63 -3.351 -4.093 -1.494 1.00 0.00 O ATOM 967 CB LYS A 63 -1.386 -5.673 -2.567 1.00 0.00 C ATOM 968 CG LYS A 63 -1.086 -5.763 -1.073 1.00 0.00 C ATOM 969 CD LYS A 63 -0.742 -7.185 -0.654 1.00 0.00 C ATOM 970 CE LYS A 63 -0.666 -7.327 0.856 1.00 0.00 C ATOM 971 NZ LYS A 63 -0.502 -8.748 1.269 1.00 0.00 N ATOM 0 H LYS A 63 -0.578 -2.748 -1.970 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.628 -4.247 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.297 -6.232 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.580 -6.154 -3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.256 -5.100 -0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.950 -5.415 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.493 -7.871 -1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.213 -7.472 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.170 -6.739 1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.572 -6.920 1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.407 -9.111 1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.204 -9.315 0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.220 -8.812 2.015 1.00 0.00 H new ATOM 985 N ARG A 64 -3.335 -2.575 -3.149 1.00 0.00 N ATOM 986 CA ARG A 64 -4.541 -1.904 -2.680 1.00 0.00 C ATOM 987 C ARG A 64 -5.798 -2.670 -3.084 1.00 0.00 C ATOM 988 O ARG A 64 -5.777 -3.894 -3.214 1.00 0.00 O ATOM 989 CB ARG A 64 -4.602 -0.468 -3.208 1.00 0.00 C ATOM 990 CG ARG A 64 -4.780 -0.364 -4.714 1.00 0.00 C ATOM 991 CD ARG A 64 -3.442 -0.288 -5.425 1.00 0.00 C ATOM 992 NE ARG A 64 -3.588 0.103 -6.824 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.714 -0.219 -7.773 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.648 -0.951 -7.477 1.00 0.00 N ATOM 995 NH2 ARG A 64 -2.908 0.188 -9.019 1.00 0.00 N ATOM 0 H ARG A 64 -2.930 -2.175 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.499 -1.876 -1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.426 0.052 -2.719 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.686 0.050 -2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.338 -1.227 -5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.371 0.520 -4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.800 0.429 -4.913 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.946 -1.257 -5.369 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.405 0.653 -7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.497 -1.268 -6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.979 -1.197 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.728 0.749 -9.251 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.237 -0.059 -9.747 1.00 0.00 H new ATOM 1009 N CYS A 65 -6.892 -1.938 -3.282 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.166 -2.537 -3.652 1.00 0.00 C ATOM 1011 C CYS A 65 -8.841 -1.711 -4.734 1.00 0.00 C ATOM 1012 O CYS A 65 -8.915 -0.486 -4.628 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.075 -2.616 -2.426 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.178 -2.851 -0.857 1.00 0.00 S ATOM 0 H CYS A 65 -6.918 -0.922 -3.191 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.984 -3.541 -4.035 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -9.664 -1.701 -2.363 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.777 -3.439 -2.559 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.331 -2.373 -5.778 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.000 -1.660 -6.857 1.00 0.00 C ATOM 1021 C ARG A 66 -11.163 -0.854 -6.297 1.00 0.00 C ATOM 1022 O ARG A 66 -11.838 -1.286 -5.363 1.00 0.00 O ATOM 1023 CB ARG A 66 -10.487 -2.627 -7.937 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.464 -2.000 -8.920 1.00 0.00 C ATOM 1025 CD ARG A 66 -10.780 -0.971 -9.803 1.00 0.00 C ATOM 1026 NE ARG A 66 -9.871 -1.596 -10.759 1.00 0.00 N ATOM 1027 CZ ARG A 66 -9.007 -0.920 -11.508 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -8.923 0.400 -11.406 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -8.222 -1.565 -12.360 1.00 0.00 N ATOM 0 H ARG A 66 -9.278 -3.385 -5.898 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.285 -0.980 -7.319 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.626 -3.008 -8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.964 -3.482 -7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.906 -2.778 -9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.280 -1.527 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.533 -0.395 -10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.226 -0.268 -9.180 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.901 -2.611 -10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.523 0.900 -10.750 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.258 0.915 -11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.282 -2.580 -12.440 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.559 -1.046 -12.935 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.389 0.316 -6.874 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.474 1.188 -6.442 1.00 0.00 C ATOM 1045 C HIS A 67 -13.799 0.425 -6.368 1.00 0.00 C ATOM 1046 O HIS A 67 -14.266 -0.115 -7.370 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.611 2.371 -7.405 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.591 3.407 -6.953 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -14.928 3.379 -7.289 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.420 4.513 -6.190 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.537 4.423 -6.753 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.644 5.126 -6.081 1.00 0.00 N ATOM 0 H HIS A 67 -10.834 0.686 -7.646 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.234 1.557 -5.445 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.635 2.839 -7.532 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -12.916 1.998 -8.383 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.493 4.850 -5.749 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.586 4.660 -6.849 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -14.833 5.985 -5.565 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.414 0.371 -5.170 1.00 0.00 N ATOM 1062 CA PRO A 68 -15.697 -0.310 -4.955 1.00 0.00 C ATOM 1063 C PRO A 68 -16.683 -0.057 -6.085 1.00 0.00 C ATOM 1064 O PRO A 68 -17.422 -0.952 -6.499 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.201 0.350 -3.677 1.00 0.00 C ATOM 1066 CG PRO A 68 -14.963 0.638 -2.906 1.00 0.00 C ATOM 1067 CD PRO A 68 -13.909 0.986 -3.925 1.00 0.00 C ATOM 0 HA PRO A 68 -15.590 -1.393 -4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.758 1.262 -3.892 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.870 -0.310 -3.125 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.120 1.462 -2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.663 -0.226 -2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.793 2.065 -4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.934 0.586 -3.647 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.685 1.174 -6.576 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.604 1.556 -7.627 1.00 0.00 C ATOM 1077 C GLY A 69 -18.636 2.541 -7.120 1.00 0.00 C ATOM 1078 O GLY A 69 -18.603 2.971 -5.967 1.00 0.00 O ATOM 0 H GLY A 69 -16.062 1.919 -6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.050 1.999 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.104 0.669 -8.017 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.547 2.894 -8.015 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.615 3.829 -7.697 1.00 0.00 C ATOM 1084 C GLU A 70 -21.780 3.112 -7.034 1.00 0.00 C ATOM 1085 O GLU A 70 -22.273 2.098 -7.529 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.079 4.570 -8.952 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.187 5.579 -8.699 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.656 6.258 -9.971 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -23.343 5.597 -10.778 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -22.338 7.450 -10.160 1.00 0.00 O ATOM 0 H GLU A 70 -19.567 2.544 -8.973 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.224 4.564 -6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.226 5.085 -9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.425 3.841 -9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.031 5.076 -8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.833 6.334 -7.997 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.225 3.670 -5.917 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.352 3.130 -5.182 1.00 0.00 C ATOM 1099 C LEU A 71 -24.585 3.950 -5.535 1.00 0.00 C ATOM 1100 O LEU A 71 -24.795 5.038 -4.995 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.063 3.170 -3.676 1.00 0.00 C ATOM 1102 CG LEU A 71 -24.277 2.982 -2.769 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -24.936 1.632 -3.016 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -23.889 3.128 -1.305 1.00 0.00 C ATOM 0 H LEU A 71 -21.815 4.505 -5.499 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.525 2.088 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.333 2.394 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.598 4.127 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 71 -24.999 3.763 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -25.798 1.522 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -25.262 1.571 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -24.220 0.835 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.771 2.990 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -23.142 2.377 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -23.476 4.122 -1.135 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.399 3.427 -6.450 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.606 4.130 -6.866 1.00 0.00 C ATOM 1118 C ARG A 72 -27.534 4.282 -5.673 1.00 0.00 C ATOM 1119 O ARG A 72 -27.866 3.309 -4.996 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.296 3.418 -8.029 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.651 4.001 -8.393 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.234 3.324 -9.623 1.00 0.00 C ATOM 1123 NE ARG A 72 -29.211 1.868 -9.510 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.043 1.062 -10.163 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.969 1.568 -10.966 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -29.948 -0.252 -10.014 1.00 0.00 N ATOM 0 H ARG A 72 -25.246 2.530 -6.911 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.332 5.121 -7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.647 3.460 -8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.421 2.365 -7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.336 3.885 -7.553 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.551 5.071 -8.578 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -30.261 3.660 -9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.671 3.628 -10.505 1.00 0.00 H new ATOM 0 HE ARG A 72 -28.516 1.445 -8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -31.045 2.578 -11.084 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -31.606 0.947 -11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -29.236 -0.645 -9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -30.587 -0.870 -10.515 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.937 5.526 -5.429 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.764 5.848 -4.283 1.00 0.00 C ATOM 1142 C ASN A 73 -27.937 5.560 -3.049 1.00 0.00 C ATOM 1143 O ASN A 73 -28.396 4.892 -2.125 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.059 5.031 -4.288 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.953 5.375 -5.464 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.995 6.521 -5.911 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -31.669 4.380 -5.974 1.00 0.00 N ATOM 0 H ASN A 73 -27.700 6.326 -6.015 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.064 6.896 -4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.816 3.969 -4.318 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.601 5.208 -3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -32.285 4.550 -6.769 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -31.603 3.445 -5.571 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.715 6.087 -3.025 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.849 5.848 -1.899 1.00 0.00 C ATOM 1156 C GLY A 74 -24.573 6.663 -1.953 1.00 0.00 C ATOM 1157 O GLY A 74 -24.352 7.419 -2.898 1.00 0.00 O ATOM 0 H GLY A 74 -26.318 6.670 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.385 6.082 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.596 4.788 -1.860 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.736 6.508 -0.933 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.475 7.237 -0.869 1.00 0.00 C ATOM 1163 C GLN A 75 -21.328 6.314 -0.476 1.00 0.00 C ATOM 1164 O GLN A 75 -21.456 5.490 0.429 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.569 8.395 0.124 1.00 0.00 C ATOM 1166 CG GLN A 75 -21.285 9.202 0.245 1.00 0.00 C ATOM 1167 CD GLN A 75 -20.995 10.038 -0.987 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -21.377 9.682 -2.102 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -20.309 11.159 -0.791 1.00 0.00 N ATOM 0 H GLN A 75 -23.907 5.887 -0.142 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.275 7.637 -1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -23.378 9.059 -0.181 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -22.834 8.000 1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -21.354 9.856 1.114 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -20.451 8.523 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -20.011 11.417 0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -20.080 11.762 -1.581 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.208 6.464 -1.170 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.034 5.649 -0.887 1.00 0.00 C ATOM 1180 C VAL A 76 -17.956 6.479 -0.200 1.00 0.00 C ATOM 1181 O VAL A 76 -17.291 7.293 -0.843 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.447 5.019 -2.160 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.498 3.890 -1.786 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.556 4.511 -3.069 1.00 0.00 C ATOM 0 H VAL A 76 -20.087 7.137 -1.927 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.362 4.847 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.890 5.781 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.085 3.447 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.688 4.284 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.041 3.129 -1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.119 4.069 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.142 3.758 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.203 5.341 -3.353 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.782 6.279 1.100 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.768 7.014 1.847 1.00 0.00 C ATOM 1196 C GLU A 77 -15.374 6.596 1.395 1.00 0.00 C ATOM 1197 O GLU A 77 -14.866 5.556 1.808 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.924 6.768 3.348 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.905 7.517 4.191 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.280 8.971 4.404 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -17.078 9.249 5.324 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -15.774 9.831 3.652 1.00 0.00 O ATOM 0 H GLU A 77 -18.325 5.619 1.656 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.901 8.078 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.927 7.064 3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.833 5.700 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.808 7.025 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.930 7.464 3.707 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.758 7.413 0.546 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.426 7.114 0.031 1.00 0.00 C ATOM 1211 C ILE A 78 -12.455 8.254 0.312 1.00 0.00 C ATOM 1212 O ILE A 78 -12.842 9.421 0.343 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.462 6.842 -1.486 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.501 5.765 -1.811 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -12.085 6.430 -1.991 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -14.331 4.487 -1.017 1.00 0.00 C ATOM 0 H ILE A 78 -15.159 8.285 0.201 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.081 6.218 0.546 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.749 7.762 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.497 6.167 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.446 5.530 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -12.132 6.243 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.371 7.229 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.766 5.523 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -15.104 3.775 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.350 4.059 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -14.417 4.706 0.047 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.189 7.900 0.513 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.156 8.885 0.802 1.00 0.00 C ATOM 1230 C LYS A 79 -8.773 8.249 0.763 1.00 0.00 C ATOM 1231 O LYS A 79 -7.816 8.842 0.267 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.391 9.519 2.179 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.355 8.536 3.345 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.510 7.547 3.295 1.00 0.00 C ATOM 1235 CE LYS A 79 -11.749 6.893 4.645 1.00 0.00 C ATOM 1236 NZ LYS A 79 -12.846 5.887 4.586 1.00 0.00 N ATOM 0 H LYS A 79 -10.855 6.937 0.481 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.208 9.659 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.635 10.287 2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.359 10.020 2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.411 7.991 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.391 9.087 4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.416 8.061 2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.299 6.779 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.832 6.411 4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.997 7.658 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.504 6.044 5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.357 5.983 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.444 4.930 4.655 1.00 0.00 H new ATOM 1250 N THR A 80 -8.684 7.039 1.292 1.00 0.00 N ATOM 1251 CA THR A 80 -7.423 6.315 1.349 1.00 0.00 C ATOM 1252 C THR A 80 -7.038 5.706 0.004 1.00 0.00 C ATOM 1253 O THR A 80 -6.202 4.803 -0.052 1.00 0.00 O ATOM 1254 CB THR A 80 -7.496 5.203 2.406 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.391 4.171 1.976 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.974 5.773 3.733 1.00 0.00 C ATOM 0 H THR A 80 -9.476 6.534 1.691 1.00 0.00 H new ATOM 0 HA THR A 80 -6.656 7.041 1.619 1.00 0.00 H new ATOM 0 HB THR A 80 -6.500 4.781 2.536 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.553 3.549 2.716 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.022 4.976 4.475 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.279 6.542 4.070 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.964 6.210 3.606 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.644 6.195 -1.078 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.329 5.691 -2.417 1.00 0.00 C ATOM 1266 C ASP A 81 -7.636 4.205 -2.536 1.00 0.00 C ATOM 1267 O ASP A 81 -7.269 3.557 -3.518 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.854 5.911 -2.707 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.486 7.379 -2.794 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.515 8.061 -1.747 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.171 7.848 -3.908 1.00 0.00 O ATOM 0 H ASP A 81 -8.349 6.932 -1.056 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.945 6.233 -3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.260 5.438 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.595 5.420 -3.645 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.304 3.681 -1.522 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.663 2.270 -1.472 1.00 0.00 C ATOM 1278 C LEU A 82 -7.411 1.417 -1.342 1.00 0.00 C ATOM 1279 O LEU A 82 -7.176 0.525 -2.152 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.441 1.874 -2.729 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.712 2.685 -3.014 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.378 3.116 -1.717 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.390 3.897 -3.874 1.00 0.00 C ATOM 0 H LEU A 82 -8.613 4.218 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.297 2.102 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.776 1.964 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.715 0.822 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.407 2.048 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.277 3.690 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.647 2.234 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.688 3.734 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.303 4.460 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.674 4.533 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.961 3.568 -4.821 1.00 0.00 H new ATOM 1295 N SER A 83 -6.616 1.688 -0.318 1.00 0.00 N ATOM 1296 CA SER A 83 -5.417 0.901 -0.064 1.00 0.00 C ATOM 1297 C SER A 83 -5.740 -0.216 0.927 1.00 0.00 C ATOM 1298 O SER A 83 -6.339 0.037 1.973 1.00 0.00 O ATOM 1299 CB SER A 83 -4.290 1.785 0.474 1.00 0.00 C ATOM 1300 OG SER A 83 -4.700 2.486 1.635 1.00 0.00 O ATOM 0 H SER A 83 -6.777 2.443 0.348 1.00 0.00 H new ATOM 0 HA SER A 83 -5.078 0.461 -1.002 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.420 1.170 0.705 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.983 2.495 -0.294 1.00 0.00 H new ATOM 0 HG SER A 83 -5.342 1.941 2.136 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.356 -1.447 0.582 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.614 -2.614 1.430 1.00 0.00 C ATOM 1308 C PHE A 84 -5.551 -2.263 2.913 1.00 0.00 C ATOM 1309 O PHE A 84 -4.714 -1.468 3.342 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.615 -3.731 1.113 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.581 -4.835 2.136 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.486 -5.880 2.079 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.639 -4.824 3.153 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.453 -6.896 3.017 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.602 -5.837 4.092 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.509 -6.874 4.024 1.00 0.00 C ATOM 0 H PHE A 84 -4.862 -1.663 -0.284 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.625 -2.959 1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.861 -4.159 0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.618 -3.299 1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.227 -5.903 1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.926 -4.015 3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.165 -7.706 2.962 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.863 -5.817 4.879 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.481 -7.667 4.757 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.440 -2.874 3.691 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.483 -2.619 5.115 1.00 0.00 C ATOM 1328 C GLY A 85 -7.258 -1.362 5.459 1.00 0.00 C ATOM 1329 O GLY A 85 -6.748 -0.489 6.162 1.00 0.00 O ATOM 0 H GLY A 85 -7.133 -3.543 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.938 -3.471 5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.465 -2.530 5.495 1.00 0.00 H new ATOM 1333 N SER A 86 -8.491 -1.263 4.965 1.00 0.00 N ATOM 1334 CA SER A 86 -9.319 -0.094 5.239 1.00 0.00 C ATOM 1335 C SER A 86 -10.805 -0.416 5.159 1.00 0.00 C ATOM 1336 O SER A 86 -11.224 -1.351 4.474 1.00 0.00 O ATOM 1337 CB SER A 86 -8.989 1.043 4.273 1.00 0.00 C ATOM 1338 OG SER A 86 -7.610 1.366 4.312 1.00 0.00 O ATOM 0 H SER A 86 -8.934 -1.971 4.379 1.00 0.00 H new ATOM 0 HA SER A 86 -9.094 0.220 6.258 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.269 0.755 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.579 1.923 4.529 1.00 0.00 H new ATOM 0 HG SER A 86 -7.153 0.943 3.555 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.588 0.379 5.874 1.00 0.00 N ATOM 1345 CA GLN A 87 -13.034 0.209 5.905 1.00 0.00 C ATOM 1346 C GLN A 87 -13.732 1.455 5.359 1.00 0.00 C ATOM 1347 O GLN A 87 -13.372 2.582 5.698 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.505 -0.095 7.333 1.00 0.00 C ATOM 1349 CG GLN A 87 -14.999 0.104 7.544 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.329 1.463 8.132 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -16.373 1.646 8.756 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -14.422 2.416 7.953 1.00 0.00 N ATOM 0 H GLN A 87 -11.244 1.152 6.443 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.298 -0.636 5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.247 -1.125 7.579 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.961 0.544 8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.515 -0.010 6.591 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.376 -0.676 8.206 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.570 2.217 7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.577 3.347 8.341 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.703 1.245 4.477 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.458 2.348 3.895 1.00 0.00 C ATOM 1363 C ILE A 88 -16.953 2.147 4.109 1.00 0.00 C ATOM 1364 O ILE A 88 -17.510 1.107 3.756 1.00 0.00 O ATOM 1365 CB ILE A 88 -15.169 2.508 2.394 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.490 1.217 1.647 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.714 2.903 2.184 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.538 1.388 0.148 1.00 0.00 C ATOM 0 H ILE A 88 -14.986 0.321 4.150 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.138 3.258 4.402 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.806 3.297 1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.740 0.466 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.451 0.835 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.517 3.014 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.517 3.848 2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.064 2.130 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.771 0.432 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.307 2.116 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.570 1.741 -0.209 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.597 3.147 4.698 1.00 0.00 N ATOM 1381 CA GLU A 89 -19.027 3.074 4.973 1.00 0.00 C ATOM 1382 C GLU A 89 -19.840 3.486 3.755 1.00 0.00 C ATOM 1383 O GLU A 89 -19.293 3.935 2.747 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.383 3.975 6.156 1.00 0.00 C ATOM 1385 CG GLU A 89 -18.251 4.133 7.154 1.00 0.00 C ATOM 1386 CD GLU A 89 -18.560 5.148 8.236 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -19.119 4.751 9.280 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.244 6.340 8.039 1.00 0.00 O ATOM 0 H GLU A 89 -17.153 4.016 4.994 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.270 2.040 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -19.668 4.958 5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -20.254 3.564 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -18.043 3.168 7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.347 4.435 6.626 1.00 0.00 H new ATOM 1395 N PHE A 90 -21.153 3.329 3.861 1.00 0.00 N ATOM 1396 CA PHE A 90 -22.060 3.689 2.782 1.00 0.00 C ATOM 1397 C PHE A 90 -23.274 4.418 3.346 1.00 0.00 C ATOM 1398 O PHE A 90 -23.364 4.643 4.554 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.495 2.439 2.015 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.344 1.588 1.552 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.724 1.831 0.334 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.884 0.542 2.336 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.669 1.047 -0.091 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.828 -0.245 1.916 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.220 0.008 0.701 1.00 0.00 C ATOM 0 H PHE A 90 -21.615 2.952 4.689 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.542 4.353 2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -23.146 1.840 2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -23.085 2.740 1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -21.071 2.643 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.356 0.339 3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.196 1.246 -1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.478 -1.057 2.537 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.395 -0.606 0.371 1.00 0.00 H new ATOM 1415 N SER A 91 -24.204 4.785 2.476 1.00 0.00 N ATOM 1416 CA SER A 91 -25.398 5.492 2.925 1.00 0.00 C ATOM 1417 C SER A 91 -26.490 5.503 1.872 1.00 0.00 C ATOM 1418 O SER A 91 -26.374 6.165 0.846 1.00 0.00 O ATOM 1419 CB SER A 91 -25.068 6.927 3.324 1.00 0.00 C ATOM 1420 OG SER A 91 -24.285 7.566 2.335 1.00 0.00 O ATOM 0 H SER A 91 -24.159 4.610 1.472 1.00 0.00 H new ATOM 0 HA SER A 91 -25.768 4.948 3.794 1.00 0.00 H new ATOM 0 HB2 SER A 91 -25.991 7.486 3.478 1.00 0.00 H new ATOM 0 HB3 SER A 91 -24.532 6.929 4.273 1.00 0.00 H new ATOM 0 HG SER A 91 -24.650 7.365 1.448 1.00 0.00 H new ATOM 1426 N CYS A 92 -27.559 4.784 2.161 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.682 4.733 1.242 1.00 0.00 C ATOM 1428 C CYS A 92 -29.512 5.997 1.409 1.00 0.00 C ATOM 1429 O CYS A 92 -29.943 6.325 2.515 1.00 0.00 O ATOM 1430 CB CYS A 92 -29.523 3.481 1.475 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.713 1.946 0.914 1.00 0.00 S ATOM 0 H CYS A 92 -27.674 4.234 3.012 1.00 0.00 H new ATOM 0 HA CYS A 92 -28.312 4.681 0.218 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.747 3.396 2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -30.475 3.591 0.956 1.00 0.00 H new ATOM 1436 N SER A 93 -29.715 6.708 0.305 1.00 0.00 N ATOM 1437 CA SER A 93 -30.467 7.964 0.302 1.00 0.00 C ATOM 1438 C SER A 93 -31.772 7.898 1.094 1.00 0.00 C ATOM 1439 O SER A 93 -32.172 6.853 1.599 1.00 0.00 O ATOM 1440 CB SER A 93 -30.778 8.389 -1.133 1.00 0.00 C ATOM 1441 OG SER A 93 -29.614 8.860 -1.790 1.00 0.00 O ATOM 0 H SER A 93 -29.365 6.433 -0.613 1.00 0.00 H new ATOM 0 HA SER A 93 -29.827 8.697 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 93 -31.193 7.545 -1.683 1.00 0.00 H new ATOM 0 HB3 SER A 93 -31.538 9.171 -1.127 1.00 0.00 H new ATOM 0 HG SER A 93 -29.840 9.124 -2.706 1.00 0.00 H new ATOM 1447 N GLU A 94 -32.423 9.055 1.166 1.00 0.00 N ATOM 1448 CA GLU A 94 -33.688 9.232 1.873 1.00 0.00 C ATOM 1449 C GLU A 94 -34.626 8.032 1.763 1.00 0.00 C ATOM 1450 O GLU A 94 -34.729 7.235 2.696 1.00 0.00 O ATOM 1451 CB GLU A 94 -34.391 10.490 1.357 1.00 0.00 C ATOM 1452 CG GLU A 94 -35.832 10.618 1.818 1.00 0.00 C ATOM 1453 CD GLU A 94 -36.448 11.953 1.450 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -36.699 12.179 0.248 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -36.683 12.771 2.364 1.00 0.00 O ATOM 0 H GLU A 94 -32.081 9.910 0.728 1.00 0.00 H new ATOM 0 HA GLU A 94 -33.443 9.333 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -33.834 11.367 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -34.367 10.488 0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -36.423 9.816 1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -35.876 10.488 2.899 1.00 0.00 H new ATOM 1462 N GLY A 95 -35.312 7.908 0.636 1.00 0.00 N ATOM 1463 CA GLY A 95 -36.283 6.839 0.455 1.00 0.00 C ATOM 1464 C GLY A 95 -35.693 5.445 0.377 1.00 0.00 C ATOM 1465 O GLY A 95 -36.308 4.553 -0.204 1.00 0.00 O ATOM 0 H GLY A 95 -35.215 8.532 -0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.994 6.871 1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.846 7.031 -0.458 1.00 0.00 H new ATOM 1469 N PHE A 96 -34.521 5.238 0.963 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.900 3.913 0.949 1.00 0.00 C ATOM 1471 C PHE A 96 -33.007 3.700 2.167 1.00 0.00 C ATOM 1472 O PHE A 96 -32.495 4.652 2.754 1.00 0.00 O ATOM 1473 CB PHE A 96 -33.055 3.727 -0.323 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.768 4.070 -1.602 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.640 3.168 -2.185 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -33.568 5.295 -2.217 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -35.303 3.477 -3.356 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -34.227 5.612 -3.391 1.00 0.00 C ATOM 1479 CZ PHE A 96 -35.096 4.701 -3.961 1.00 0.00 C ATOM 0 H PHE A 96 -33.985 5.957 1.448 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.707 3.181 0.970 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -32.161 4.345 -0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.722 2.690 -0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.804 2.208 -1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.890 6.010 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.982 2.763 -3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -34.063 6.570 -3.862 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.612 4.946 -4.878 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.832 2.436 2.545 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.977 2.082 3.671 1.00 0.00 C ATOM 1491 C PHE A 97 -30.862 1.165 3.191 1.00 0.00 C ATOM 1492 O PHE A 97 -30.923 0.596 2.100 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.788 1.428 4.796 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.293 0.049 4.481 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.309 -0.139 3.560 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.758 -1.059 5.121 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.783 -1.407 3.278 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.230 -2.328 4.847 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.243 -2.502 3.923 1.00 0.00 C ATOM 0 H PHE A 97 -33.273 1.639 2.086 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.535 2.990 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -32.168 1.378 5.691 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.639 2.067 5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.737 0.715 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -31.964 -0.928 5.841 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.574 -1.541 2.555 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.808 -3.183 5.354 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.612 -3.494 3.706 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.851 1.024 4.039 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.684 0.212 3.720 1.00 0.00 C ATOM 1511 C LEU A 98 -28.934 -1.264 3.996 1.00 0.00 C ATOM 1512 O LEU A 98 -29.529 -1.632 5.009 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.477 0.705 4.531 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.097 0.220 4.058 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.910 -1.261 4.345 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -25.893 0.510 2.580 1.00 0.00 C ATOM 0 H LEU A 98 -29.816 1.464 4.958 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.479 0.317 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.479 1.795 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.612 0.396 5.568 1.00 0.00 H new ATOM 0 HG LEU A 98 -25.342 0.771 4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.925 -1.577 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.992 -1.437 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -26.678 -1.832 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -24.909 0.157 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -26.660 -0.002 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -25.963 1.584 2.407 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.469 -2.103 3.076 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.584 -3.552 3.177 1.00 0.00 C ATOM 1530 C ILE A 99 -27.547 -4.189 2.277 1.00 0.00 C ATOM 1531 O ILE A 99 -27.787 -4.461 1.101 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.961 -4.062 2.725 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.891 -2.894 2.436 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.554 -4.985 3.774 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.068 -3.259 1.559 1.00 0.00 C ATOM 0 H ILE A 99 -27.996 -1.791 2.228 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.439 -3.816 4.225 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.838 -4.632 1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.262 -2.494 3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.323 -2.099 1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.529 -5.338 3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.892 -5.838 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -30.667 -4.443 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.687 -2.377 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.706 -3.631 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.660 -4.032 2.048 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.386 -4.414 2.865 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.275 -5.006 2.153 1.00 0.00 C ATOM 1549 C GLY A 100 -23.967 -4.737 2.854 1.00 0.00 C ATOM 1550 O GLY A 100 -22.947 -4.481 2.213 1.00 0.00 O ATOM 0 H GLY A 100 -26.190 -4.193 3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.428 -6.082 2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.236 -4.606 1.140 1.00 0.00 H new ATOM 1554 N SER A 101 -24.007 -4.792 4.179 1.00 0.00 N ATOM 1555 CA SER A 101 -22.832 -4.539 5.004 1.00 0.00 C ATOM 1556 C SER A 101 -22.418 -3.076 4.889 1.00 0.00 C ATOM 1557 O SER A 101 -21.822 -2.667 3.893 1.00 0.00 O ATOM 1558 CB SER A 101 -21.674 -5.453 4.594 1.00 0.00 C ATOM 1559 OG SER A 101 -20.534 -5.226 5.403 1.00 0.00 O ATOM 0 H SER A 101 -24.850 -5.012 4.710 1.00 0.00 H new ATOM 0 HA SER A 101 -23.085 -4.755 6.042 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.982 -6.495 4.678 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.422 -5.279 3.548 1.00 0.00 H new ATOM 0 HG SER A 101 -19.971 -4.538 4.990 1.00 0.00 H new ATOM 1565 N THR A 102 -22.743 -2.290 5.913 1.00 0.00 N ATOM 1566 CA THR A 102 -22.416 -0.868 5.919 1.00 0.00 C ATOM 1567 C THR A 102 -20.916 -0.648 5.910 1.00 0.00 C ATOM 1568 O THR A 102 -20.448 0.483 5.786 1.00 0.00 O ATOM 1569 CB THR A 102 -23.016 -0.152 7.145 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.413 -0.648 8.346 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.522 -0.353 7.213 1.00 0.00 C ATOM 0 H THR A 102 -23.232 -2.614 6.748 1.00 0.00 H new ATOM 0 HA THR A 102 -22.850 -0.447 5.012 1.00 0.00 H new ATOM 0 HB THR A 102 -22.812 0.914 7.046 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.798 -0.187 9.120 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.919 0.163 8.087 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.984 0.051 6.312 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.744 -1.418 7.288 1.00 0.00 H new ATOM 1579 N THR A 103 -20.164 -1.725 6.041 1.00 0.00 N ATOM 1580 CA THR A 103 -18.723 -1.626 6.029 1.00 0.00 C ATOM 1581 C THR A 103 -18.158 -2.404 4.857 1.00 0.00 C ATOM 1582 O THR A 103 -18.805 -3.312 4.334 1.00 0.00 O ATOM 1583 CB THR A 103 -18.111 -2.129 7.337 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.418 -3.515 7.530 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.625 -1.315 8.514 1.00 0.00 C ATOM 0 H THR A 103 -20.527 -2.671 6.156 1.00 0.00 H new ATOM 0 HA THR A 103 -18.463 -0.573 5.924 1.00 0.00 H new ATOM 0 HB THR A 103 -17.029 -2.012 7.276 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.019 -3.825 8.370 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.179 -1.687 9.436 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.356 -0.268 8.377 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.710 -1.406 8.573 1.00 0.00 H new ATOM 1593 N SER A 104 -16.952 -2.051 4.448 1.00 0.00 N ATOM 1594 CA SER A 104 -16.276 -2.742 3.369 1.00 0.00 C ATOM 1595 C SER A 104 -14.789 -2.806 3.688 1.00 0.00 C ATOM 1596 O SER A 104 -14.125 -1.776 3.778 1.00 0.00 O ATOM 1597 CB SER A 104 -16.506 -2.032 2.033 1.00 0.00 C ATOM 1598 OG SER A 104 -16.024 -2.813 0.952 1.00 0.00 O ATOM 0 H SER A 104 -16.418 -1.282 4.853 1.00 0.00 H new ATOM 0 HA SER A 104 -16.680 -3.750 3.278 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.570 -1.837 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.003 -1.065 2.040 1.00 0.00 H new ATOM 0 HG SER A 104 -15.126 -2.509 0.703 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.272 -4.014 3.874 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.862 -4.209 4.200 1.00 0.00 C ATOM 1606 C ARG A 105 -12.081 -4.695 2.987 1.00 0.00 C ATOM 1607 O ARG A 105 -12.636 -4.857 1.902 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.721 -5.216 5.343 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.515 -4.842 6.584 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.223 -5.787 7.739 1.00 0.00 C ATOM 1611 NE ARG A 105 -11.818 -5.745 8.137 1.00 0.00 N ATOM 1612 CZ ARG A 105 -11.398 -5.906 9.388 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -12.271 -6.125 10.364 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -10.103 -5.849 9.666 1.00 0.00 N ATOM 0 H ARG A 105 -14.810 -4.878 3.805 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.452 -3.248 4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.047 -6.196 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.668 -5.306 5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.273 -3.821 6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.581 -4.864 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.849 -5.523 8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.488 -6.804 7.451 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.118 -5.583 7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.268 -6.170 10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.944 -6.248 11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.428 -5.681 8.920 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.782 -5.973 10.626 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.791 -4.940 3.185 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.929 -5.402 2.107 1.00 0.00 C ATOM 1630 C CYS A 106 -9.149 -6.647 2.507 1.00 0.00 C ATOM 1631 O CYS A 106 -8.336 -6.616 3.430 1.00 0.00 O ATOM 1632 CB CYS A 106 -8.957 -4.297 1.691 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.654 -3.094 0.516 1.00 0.00 S ATOM 0 H CYS A 106 -10.320 -4.826 4.083 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.570 -5.658 1.263 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.625 -3.766 2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.074 -4.754 1.245 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.416 -7.740 1.806 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.777 -9.012 2.082 1.00 0.00 C ATOM 1640 C GLU A 107 -7.889 -9.412 0.916 1.00 0.00 C ATOM 1641 O GLU A 107 -8.062 -8.925 -0.198 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.849 -10.077 2.331 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.299 -11.471 2.575 1.00 0.00 C ATOM 1644 CD GLU A 107 -8.414 -11.544 3.804 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -8.905 -11.224 4.908 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -7.233 -11.923 3.663 1.00 0.00 O ATOM 0 H GLU A 107 -10.080 -7.767 1.033 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.154 -8.921 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.447 -9.779 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.520 -10.109 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.128 -12.170 2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.729 -11.790 1.702 1.00 0.00 H new ATOM 1653 N VAL A 108 -6.952 -10.309 1.165 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.053 -10.736 0.109 1.00 0.00 C ATOM 1655 C VAL A 108 -6.152 -12.225 -0.171 1.00 0.00 C ATOM 1656 O VAL A 108 -6.025 -13.061 0.723 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.591 -10.374 0.407 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -3.691 -10.955 -0.665 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.414 -8.873 0.466 1.00 0.00 C ATOM 0 H VAL A 108 -6.795 -10.749 2.072 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.375 -10.193 -0.779 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.320 -10.793 1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.654 -10.696 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.798 -12.040 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.972 -10.548 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.371 -8.638 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.697 -8.435 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.046 -8.463 1.254 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.382 -12.528 -1.439 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.488 -13.904 -1.887 1.00 0.00 C ATOM 1671 C GLN A 109 -5.422 -14.213 -2.931 1.00 0.00 C ATOM 1672 O GLN A 109 -5.637 -14.025 -4.129 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.885 -14.161 -2.450 1.00 0.00 C ATOM 1674 CG GLN A 109 -8.996 -13.617 -1.565 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.376 -14.033 -2.033 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.546 -15.095 -2.634 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.370 -13.199 -1.757 1.00 0.00 N ATOM 0 H GLN A 109 -6.499 -11.834 -2.178 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.326 -14.564 -1.035 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.961 -13.707 -3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.026 -15.234 -2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.844 -13.965 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.937 -12.529 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.183 -12.330 -1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.322 -13.427 -2.045 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.271 -14.679 -2.459 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.158 -15.018 -3.332 1.00 0.00 C ATOM 1688 C ASP A 110 -2.699 -13.802 -4.138 1.00 0.00 C ATOM 1689 O ASP A 110 -2.229 -12.815 -3.571 1.00 0.00 O ATOM 1690 CB ASP A 110 -3.554 -16.167 -4.259 1.00 0.00 C ATOM 1691 CG ASP A 110 -3.715 -17.479 -3.516 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -4.814 -17.726 -2.979 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -2.739 -18.257 -3.468 1.00 0.00 O ATOM 0 H ASP A 110 -4.086 -14.831 -1.468 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.319 -15.338 -2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.489 -15.920 -4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.797 -16.282 -5.035 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.836 -13.877 -5.459 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.433 -12.794 -6.333 1.00 0.00 C ATOM 1700 C ARG A 111 -3.526 -11.737 -6.456 1.00 0.00 C ATOM 1701 O ARG A 111 -3.543 -10.956 -7.407 1.00 0.00 O ATOM 1702 CB ARG A 111 -2.086 -13.360 -7.708 1.00 0.00 C ATOM 1703 CG ARG A 111 -0.945 -14.363 -7.675 1.00 0.00 C ATOM 1704 CD ARG A 111 -0.648 -14.922 -9.057 1.00 0.00 C ATOM 1705 NE ARG A 111 0.431 -15.906 -9.025 1.00 0.00 N ATOM 1706 CZ ARG A 111 1.042 -16.368 -10.112 1.00 0.00 C ATOM 1707 NH1 ARG A 111 0.681 -15.939 -11.314 1.00 0.00 N ATOM 1708 NH2 ARG A 111 2.015 -17.262 -9.997 1.00 0.00 N ATOM 0 H ARG A 111 -3.226 -14.685 -5.944 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.557 -12.309 -5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -2.970 -13.839 -8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -1.820 -12.539 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -0.051 -13.884 -7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.198 -15.180 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -1.548 -15.383 -9.463 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -0.377 -14.107 -9.728 1.00 0.00 H new ATOM 0 HE ARG A 111 0.733 -16.259 -8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -0.068 -15.252 -11.407 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.152 -16.296 -12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.295 -17.595 -9.075 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.483 -17.616 -10.831 1.00 0.00 H new ATOM 1722 N GLY A 112 -4.432 -11.713 -5.483 1.00 0.00 N ATOM 1723 CA GLY A 112 -5.509 -10.742 -5.500 1.00 0.00 C ATOM 1724 C GLY A 112 -5.739 -10.122 -4.149 1.00 0.00 C ATOM 1725 O GLY A 112 -5.248 -10.622 -3.140 1.00 0.00 O ATOM 0 H GLY A 112 -4.439 -12.348 -4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.278 -9.959 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.426 -11.226 -5.836 1.00 0.00 H new ATOM 1729 N VAL A 113 -6.490 -9.028 -4.124 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.750 -8.333 -2.878 1.00 0.00 C ATOM 1731 C VAL A 113 -7.796 -7.247 -3.027 1.00 0.00 C ATOM 1732 O VAL A 113 -8.064 -6.751 -4.122 1.00 0.00 O ATOM 1733 CB VAL A 113 -5.458 -7.678 -2.347 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -4.625 -7.151 -3.504 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.752 -6.561 -1.353 1.00 0.00 C ATOM 0 H VAL A 113 -6.924 -8.609 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.121 -9.085 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.893 -8.445 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.716 -6.691 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.361 -7.975 -4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.200 -6.409 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.814 -6.128 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.350 -5.790 -1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.302 -6.965 -0.504 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.377 -6.898 -1.896 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.335 -5.828 -1.904 1.00 0.00 C ATOM 1747 C GLY A 114 -10.672 -6.169 -1.285 1.00 0.00 C ATOM 1748 O GLY A 114 -10.789 -7.125 -0.521 1.00 0.00 O ATOM 0 H GLY A 114 -8.205 -7.329 -0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.911 -4.976 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.498 -5.512 -2.935 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.682 -5.384 -1.632 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.022 -5.566 -1.085 1.00 0.00 C ATOM 1754 C TRP A 115 -13.579 -6.946 -1.412 1.00 0.00 C ATOM 1755 O TRP A 115 -13.266 -7.526 -2.452 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.971 -4.491 -1.619 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.330 -3.147 -1.773 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.981 -2.542 -2.945 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -12.958 -2.241 -0.727 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.417 -1.316 -2.693 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.392 -1.108 -1.339 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.050 -2.274 0.666 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -11.919 -0.023 -0.607 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -12.580 -1.196 1.391 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -12.022 -0.083 0.754 1.00 0.00 C ATOM 0 H TRP A 115 -11.600 -4.611 -2.293 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.944 -5.475 -0.002 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -14.361 -4.811 -2.585 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.823 -4.403 -0.944 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.127 -2.966 -3.928 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.072 -0.666 -3.399 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.481 -3.128 1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -11.486 0.836 -1.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.645 -1.213 2.469 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -11.666 0.745 1.349 1.00 0.00 H new ATOM 1776 N SER A 116 -14.408 -7.463 -0.512 1.00 0.00 N ATOM 1777 CA SER A 116 -15.029 -8.768 -0.697 1.00 0.00 C ATOM 1778 C SER A 116 -16.481 -8.601 -1.135 1.00 0.00 C ATOM 1779 O SER A 116 -17.072 -9.505 -1.726 1.00 0.00 O ATOM 1780 CB SER A 116 -14.964 -9.580 0.597 1.00 0.00 C ATOM 1781 OG SER A 116 -13.624 -9.751 1.026 1.00 0.00 O ATOM 0 H SER A 116 -14.666 -6.995 0.357 1.00 0.00 H new ATOM 0 HA SER A 116 -14.483 -9.304 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.537 -9.076 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 116 -15.427 -10.555 0.442 1.00 0.00 H new ATOM 0 HG SER A 116 -13.610 -10.272 1.856 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.046 -7.433 -0.838 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.428 -7.129 -1.194 1.00 0.00 C ATOM 1789 C HIS A 117 -18.737 -5.650 -0.970 1.00 0.00 C ATOM 1790 O HIS A 117 -19.207 -5.262 0.100 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.388 -7.989 -0.370 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.815 -7.893 -0.811 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.422 -8.843 -1.605 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.761 -6.955 -0.560 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -22.679 -8.494 -1.824 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.907 -7.354 -1.200 1.00 0.00 N ATOM 0 H HIS A 117 -16.564 -6.679 -0.349 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.562 -7.354 -2.252 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.069 -9.030 -0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.320 -7.692 0.677 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.636 -6.061 0.033 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.396 -9.047 -2.413 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.794 -6.850 -1.194 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.463 -4.801 -1.977 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.711 -3.367 -1.892 1.00 0.00 C ATOM 1807 C PRO A 118 -20.117 -2.988 -2.341 1.00 0.00 C ATOM 1808 O PRO A 118 -20.977 -3.854 -2.500 1.00 0.00 O ATOM 1809 CB PRO A 118 -17.669 -2.802 -2.849 1.00 0.00 C ATOM 1810 CG PRO A 118 -17.535 -3.841 -3.915 1.00 0.00 C ATOM 1811 CD PRO A 118 -17.876 -5.169 -3.278 1.00 0.00 C ATOM 0 HA PRO A 118 -18.640 -2.989 -0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -17.989 -1.846 -3.265 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -16.719 -2.628 -2.343 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.205 -3.629 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -16.522 -3.854 -4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -18.580 -5.735 -3.888 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -16.990 -5.791 -3.154 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.327 -1.687 -2.558 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.609 -1.150 -2.987 1.00 0.00 C ATOM 1821 C LEU A 119 -22.786 -2.028 -2.552 1.00 0.00 C ATOM 1822 O LEU A 119 -23.218 -2.912 -3.293 1.00 0.00 O ATOM 1823 CB LEU A 119 -21.598 -0.980 -4.499 1.00 0.00 C ATOM 1824 CG LEU A 119 -20.330 -0.340 -5.078 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.525 -0.022 -6.549 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -19.959 0.915 -4.302 1.00 0.00 C ATOM 0 H LEU A 119 -19.604 -0.977 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.749 -0.183 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -21.734 -1.959 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.456 -0.371 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 119 -19.510 -1.052 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.617 0.432 -6.947 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.740 -0.941 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -21.358 0.672 -6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.057 1.353 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.776 1.635 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -19.778 0.657 -3.258 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.317 -1.792 -1.337 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.449 -2.558 -0.796 1.00 0.00 C ATOM 1840 C PRO A 120 -25.718 -2.391 -1.626 1.00 0.00 C ATOM 1841 O PRO A 120 -25.677 -1.866 -2.739 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.650 -1.971 0.608 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.376 -1.267 0.922 1.00 0.00 C ATOM 1844 CD PRO A 120 -22.850 -0.768 -0.390 1.00 0.00 C ATOM 0 HA PRO A 120 -24.245 -3.629 -0.799 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.496 -1.284 0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.857 -2.755 1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -23.546 -0.442 1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -22.664 -1.941 1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.243 0.219 -0.635 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -21.763 -0.686 -0.386 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.847 -2.839 -1.080 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.124 -2.747 -1.769 1.00 0.00 C ATOM 1854 C GLN A 121 -29.019 -1.677 -1.154 1.00 0.00 C ATOM 1855 O GLN A 121 -29.384 -1.756 0.020 1.00 0.00 O ATOM 1856 CB GLN A 121 -28.831 -4.097 -1.723 1.00 0.00 C ATOM 1857 CG GLN A 121 -28.390 -5.051 -2.821 1.00 0.00 C ATOM 1858 CD GLN A 121 -28.967 -6.443 -2.654 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -30.044 -6.746 -3.164 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -28.246 -7.297 -1.937 1.00 0.00 N ATOM 0 H GLN A 121 -26.899 -3.271 -0.157 1.00 0.00 H new ATOM 0 HA GLN A 121 -27.927 -2.466 -2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.647 -4.561 -0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.906 -3.938 -1.802 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -28.693 -4.650 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -27.302 -5.112 -2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -27.358 -7.001 -1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -28.581 -8.249 -1.790 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.368 -0.679 -1.956 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.233 0.392 -1.480 1.00 0.00 C ATOM 1871 C CYS A 122 -31.665 0.171 -1.956 1.00 0.00 C ATOM 1872 O CYS A 122 -31.985 0.391 -3.124 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.713 1.751 -1.944 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.245 2.322 -1.025 1.00 0.00 S ATOM 0 H CYS A 122 -29.070 -0.589 -2.927 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.228 0.381 -0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.468 1.694 -3.005 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.507 2.490 -1.839 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.522 -0.261 -1.035 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.924 -0.533 -1.343 1.00 0.00 C ATOM 1881 C GLU A 123 -34.827 0.337 -0.483 1.00 0.00 C ATOM 1882 O GLU A 123 -34.526 0.640 0.671 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.247 -2.009 -1.103 1.00 0.00 C ATOM 1884 CG GLU A 123 -33.332 -2.965 -1.848 1.00 0.00 C ATOM 1885 CD GLU A 123 -33.401 -2.793 -3.352 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -34.273 -3.425 -3.982 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -32.582 -2.027 -3.901 1.00 0.00 O ATOM 0 H GLU A 123 -32.268 -0.431 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.098 -0.301 -2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -34.182 -2.217 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -35.278 -2.199 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -32.305 -2.811 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -33.599 -3.990 -1.592 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.942 0.734 -1.085 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.908 1.602 -0.425 1.00 0.00 C ATOM 1896 C ILE A 124 -37.588 0.901 0.745 1.00 0.00 C ATOM 1897 O ILE A 124 -37.882 -0.293 0.684 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.974 2.101 -1.424 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.953 3.051 -0.733 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.712 0.926 -2.047 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.880 3.769 -1.691 1.00 0.00 C ATOM 0 H ILE A 124 -36.200 0.466 -2.035 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.355 2.457 -0.037 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.471 2.649 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.550 2.486 -0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -38.389 3.790 -0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.460 1.296 -2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.002 0.290 -2.576 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.204 0.349 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -40.546 4.425 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -39.291 4.362 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -40.471 3.038 -2.242 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.827 1.659 1.813 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.469 1.126 3.009 1.00 0.00 C ATOM 1915 C LEU A 125 -39.776 0.420 2.657 1.00 0.00 C ATOM 1916 O LEU A 125 -40.117 -0.607 3.246 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.731 2.254 4.011 1.00 0.00 C ATOM 1918 CG LEU A 125 -37.487 3.023 4.466 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -37.875 4.138 5.426 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.479 2.086 5.118 1.00 0.00 C ATOM 0 H LEU A 125 -37.584 2.648 1.873 1.00 0.00 H new ATOM 0 HA LEU A 125 -37.799 0.395 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -39.432 2.960 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -39.219 1.832 4.889 1.00 0.00 H new ATOM 0 HG LEU A 125 -37.019 3.467 3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -36.980 4.675 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -38.556 4.828 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -38.367 3.711 6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.604 2.655 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.934 1.610 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.176 1.322 4.402 1.00 0.00 H new ATOM 1932 N GLU A 126 -40.504 0.977 1.694 1.00 0.00 N ATOM 1933 CA GLU A 126 -41.770 0.398 1.256 1.00 0.00 C ATOM 1934 C GLU A 126 -42.183 0.965 -0.100 1.00 0.00 C ATOM 1935 O GLU A 126 -42.078 2.169 -0.339 1.00 0.00 O ATOM 1936 CB GLU A 126 -42.871 0.653 2.290 1.00 0.00 C ATOM 1937 CG GLU A 126 -43.261 2.116 2.432 1.00 0.00 C ATOM 1938 CD GLU A 126 -42.173 2.955 3.074 1.00 0.00 C ATOM 1939 OE1 GLU A 126 -41.304 3.466 2.336 1.00 0.00 O ATOM 1940 OE2 GLU A 126 -42.190 3.102 4.314 1.00 0.00 O ATOM 0 H GLU A 126 -40.239 1.830 1.201 1.00 0.00 H new ATOM 0 HA GLU A 126 -41.630 -0.678 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -43.755 0.077 2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -42.538 0.281 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -43.494 2.522 1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -44.170 2.189 3.030 1.00 0.00 H new ATOM 1947 N HIS A 127 -42.651 0.091 -0.985 1.00 0.00 N ATOM 1948 CA HIS A 127 -43.077 0.503 -2.318 1.00 0.00 C ATOM 1949 C HIS A 127 -44.378 -0.191 -2.712 1.00 0.00 C ATOM 1950 O HIS A 127 -44.816 -1.130 -2.049 1.00 0.00 O ATOM 1951 CB HIS A 127 -41.984 0.193 -3.343 1.00 0.00 C ATOM 1952 CG HIS A 127 -41.483 -1.216 -3.276 1.00 0.00 C ATOM 1953 ND1 HIS A 127 -40.555 -1.643 -2.347 1.00 0.00 N ATOM 1954 CD2 HIS A 127 -41.782 -2.300 -4.030 1.00 0.00 C ATOM 1955 CE1 HIS A 127 -40.307 -2.926 -2.534 1.00 0.00 C ATOM 1956 NE2 HIS A 127 -41.038 -3.349 -3.548 1.00 0.00 N ATOM 0 H HIS A 127 -42.745 -0.908 -0.803 1.00 0.00 H new ATOM 0 HA HIS A 127 -43.253 1.579 -2.302 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -42.371 0.385 -4.344 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -41.148 0.875 -3.188 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -42.476 -2.334 -4.857 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -39.622 -3.528 -1.955 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -41.049 -4.301 -3.914 1.00 0.00 H new ATOM 1965 N HIS A 128 -44.991 0.279 -3.796 1.00 0.00 N ATOM 1966 CA HIS A 128 -46.244 -0.295 -4.275 1.00 0.00 C ATOM 1967 C HIS A 128 -46.605 0.245 -5.655 1.00 0.00 C ATOM 1968 O HIS A 128 -45.917 1.112 -6.194 1.00 0.00 O ATOM 1969 CB HIS A 128 -47.374 0.007 -3.287 1.00 0.00 C ATOM 1970 CG HIS A 128 -47.590 1.471 -3.055 1.00 0.00 C ATOM 1971 ND1 HIS A 128 -48.574 2.197 -3.692 1.00 0.00 N ATOM 1972 CD2 HIS A 128 -46.943 2.347 -2.248 1.00 0.00 C ATOM 1973 CE1 HIS A 128 -48.524 3.454 -3.288 1.00 0.00 C ATOM 1974 NE2 HIS A 128 -47.542 3.570 -2.412 1.00 0.00 N ATOM 0 H HIS A 128 -44.640 1.055 -4.358 1.00 0.00 H new ATOM 0 HA HIS A 128 -46.112 -1.374 -4.354 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -48.299 -0.434 -3.659 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -47.152 -0.475 -2.335 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -46.111 2.124 -1.597 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -49.175 4.250 -3.618 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -47.273 4.430 -1.935 1.00 0.00 H new ATOM 1983 N HIS A 129 -47.691 -0.276 -6.220 1.00 0.00 N ATOM 1984 CA HIS A 129 -48.153 0.153 -7.535 1.00 0.00 C ATOM 1985 C HIS A 129 -49.622 -0.206 -7.733 1.00 0.00 C ATOM 1986 O HIS A 129 -50.084 -1.251 -7.273 1.00 0.00 O ATOM 1987 CB HIS A 129 -47.305 -0.488 -8.637 1.00 0.00 C ATOM 1988 CG HIS A 129 -47.335 -1.984 -8.628 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -48.366 -2.721 -9.174 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -46.450 -2.886 -8.139 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -48.115 -4.009 -9.021 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -46.958 -4.135 -8.396 1.00 0.00 N ATOM 0 H HIS A 129 -48.268 -0.997 -5.786 1.00 0.00 H new ATOM 0 HA HIS A 129 -48.047 1.236 -7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -47.656 -0.133 -9.606 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -46.273 -0.154 -8.529 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -45.518 -2.664 -7.640 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -48.747 -4.820 -9.350 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -46.514 -5.018 -8.145 1.00 0.00 H new ATOM 2001 N HIS A 130 -50.353 0.668 -8.417 1.00 0.00 N ATOM 2002 CA HIS A 130 -51.771 0.443 -8.673 1.00 0.00 C ATOM 2003 C HIS A 130 -52.043 0.333 -10.170 1.00 0.00 C ATOM 2004 O HIS A 130 -52.501 -0.701 -10.655 1.00 0.00 O ATOM 2005 CB HIS A 130 -52.605 1.578 -8.076 1.00 0.00 C ATOM 2006 CG HIS A 130 -52.360 1.797 -6.615 1.00 0.00 C ATOM 2007 ND1 HIS A 130 -53.013 1.090 -5.627 1.00 0.00 N ATOM 2008 CD2 HIS A 130 -51.528 2.653 -5.974 1.00 0.00 C ATOM 2009 CE1 HIS A 130 -52.594 1.502 -4.443 1.00 0.00 C ATOM 2010 NE2 HIS A 130 -51.693 2.449 -4.626 1.00 0.00 N ATOM 0 H HIS A 130 -49.987 1.538 -8.804 1.00 0.00 H new ATOM 0 HA HIS A 130 -52.055 -0.497 -8.199 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -52.387 2.500 -8.615 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -53.662 1.361 -8.230 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -50.859 3.364 -6.437 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -52.932 1.127 -3.488 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -51.199 2.948 -3.886 1.00 0.00 H new ATOM 2019 N HIS A 131 -51.755 1.409 -10.897 1.00 0.00 N ATOM 2020 CA HIS A 131 -51.968 1.441 -12.339 1.00 0.00 C ATOM 2021 C HIS A 131 -50.824 0.752 -13.076 1.00 0.00 C ATOM 2022 O HIS A 131 -49.912 0.205 -12.457 1.00 0.00 O ATOM 2023 CB HIS A 131 -52.098 2.888 -12.819 1.00 0.00 C ATOM 2024 CG HIS A 131 -50.864 3.703 -12.593 1.00 0.00 C ATOM 2025 ND1 HIS A 131 -49.758 3.637 -13.415 1.00 0.00 N ATOM 2026 CD2 HIS A 131 -50.560 4.604 -11.628 1.00 0.00 C ATOM 2027 CE1 HIS A 131 -48.828 4.460 -12.965 1.00 0.00 C ATOM 2028 NE2 HIS A 131 -49.289 5.058 -11.882 1.00 0.00 N ATOM 0 H HIS A 131 -51.373 2.272 -10.509 1.00 0.00 H new ATOM 0 HA HIS A 131 -52.891 0.904 -12.558 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -52.336 2.890 -13.883 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -52.935 3.360 -12.304 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -51.198 4.908 -10.811 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -47.856 4.617 -13.408 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -48.783 5.746 -11.324 1.00 0.00 H new ATOM 2037 N HIS A 132 -50.878 0.786 -14.405 1.00 0.00 N ATOM 2038 CA HIS A 132 -49.846 0.168 -15.231 1.00 0.00 C ATOM 2039 C HIS A 132 -49.199 1.196 -16.155 1.00 0.00 C ATOM 2040 O HIS A 132 -49.736 1.419 -17.260 1.00 0.00 O ATOM 2041 CB HIS A 132 -50.437 -0.977 -16.056 1.00 0.00 C ATOM 2042 CG HIS A 132 -50.756 -2.195 -15.248 1.00 0.00 C ATOM 2043 ND1 HIS A 132 -52.035 -2.525 -14.853 1.00 0.00 N ATOM 2044 CD2 HIS A 132 -49.950 -3.169 -14.761 1.00 0.00 C ATOM 2045 CE1 HIS A 132 -52.003 -3.647 -14.157 1.00 0.00 C ATOM 2046 NE2 HIS A 132 -50.751 -4.059 -14.088 1.00 0.00 N ATOM 2047 OXT HIS A 132 -48.159 1.768 -15.765 1.00 0.00 O ATOM 0 H HIS A 132 -51.626 1.235 -14.933 1.00 0.00 H new ATOM 0 HA HIS A 132 -49.079 -0.232 -14.568 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -51.346 -0.629 -16.547 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -49.733 -1.247 -16.843 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -48.878 -3.234 -14.880 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -52.856 -4.143 -13.719 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -50.430 -4.902 -13.612 1.00 0.00 H new TER 2056 HIS A 132