USER MOD reduce.3.24.130724 H: found=0, std=0, add=1117, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1120 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 98 MET CE :methyl -139:sc=-0.00189 (180deg=0) USER MOD Set 1.2: A 117 GLN : amide:sc= -0.133 X(o=-0.14,f=-0.33) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 173:sc= 0.91 (180deg=0.24) USER MOD Set 2.2: A 21 ASN : amide:sc= 1.01 K(o=1.9,f=-3.5) USER MOD Set 3.1: A 18 HIS : no HD1:sc= 1.06 K(o=2.7,f=-8.6!) USER MOD Set 3.2: A 24 ASN : amide:sc= 0.389 K(o=2.7,f=-5.6!) USER MOD Set 3.3: A 74 SER OG : rot -124:sc= 1.28 USER MOD Set 4.1: A 6 ASN : amide:sc= -0.304 K(o=-0.3,f=-4!) USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0699) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.3!) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.344 USER MOD Single : A 13 GLN : amide:sc= -0.942 K(o=-0.94,f=-0.047) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 31 SER OG : rot -88:sc= 1.11 USER MOD Single : A 36 MET CE :methyl 164:sc= 0 (180deg=-0.308) USER MOD Single : A 37 ASN : amide:sc= 0.814 K(o=0.81,f=-2.7!) USER MOD Single : A 38 ASN : amide:sc= -0.742 K(o=-0.74,f=-2.1) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 28:sc= 0.991 USER MOD Single : A 49 MET CE :methyl -136:sc= -6.77! (180deg=-7.96!) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 1.12 (180deg=1.08) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0.652 (180deg=0.54) USER MOD Single : A 67 SER OG : rot 107:sc= 0.0548 USER MOD Single : A 69 SER OG : rot 176:sc= -3.85! USER MOD Single : A 70 MET CE :methyl -121:sc= -1.62 (180deg=-7.48!) USER MOD Single : A 72 SER OG : rot -81:sc= 1.12 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -166:sc= -0.0647 (180deg=-0.351) USER MOD Single : A 77 THR OG1 : rot 90:sc= 1.26 USER MOD Single : A 78 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.86) USER MOD Single : A 81 LYS NZ :NH3+ 179:sc= -0.0981 (180deg=-0.126) USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= -0.0188 (180deg=-0.183) USER MOD Single : A 87 THR OG1 : rot -170:sc= 0.868 USER MOD Single : A 90 SER OG : rot 87:sc= 0.0055 USER MOD Single : A 91 MET CE :methyl 152:sc= -0.267 (180deg=-1.43) USER MOD Single : A 92 SER OG : rot 170:sc= 0.0454 USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= 1.23 (180deg=0.996) USER MOD Single : A 96 SER OG : rot 73:sc= 0.0123 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.808 K(o=-0.81,f=-0.017) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 0:sc= 0.0427 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 120 SER OG : rot -35:sc= 0.264 USER MOD Single : A 121 LYS NZ :NH3+ -162:sc= -0.0798 (180deg=-0.468) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 47:sc= 1.23 USER MOD Single : A 132 SER OG : rot 78:sc= 0.832 USER MOD Single : A 134 LYS NZ :NH3+ -156:sc= 1.16 (180deg=1.05) USER MOD Single : A 138 LYS NZ :NH3+ -168:sc= -0.0455 (180deg=-0.26) USER MOD Single : A 142 LYS NZ :NH3+ 164:sc= -0.151 (180deg=-0.639) USER MOD Single : A 147 ASN : amide:sc= -0.777! K(o=-0.78!,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.300 -13.658 24.231 1.00 0.00 N ATOM 2 CA MET A 1 -3.359 -14.667 24.018 1.00 0.00 C ATOM 3 C MET A 1 -3.683 -14.786 22.535 1.00 0.00 C ATOM 4 O MET A 1 -4.351 -13.923 21.961 1.00 0.00 O ATOM 5 CB MET A 1 -4.626 -14.293 24.791 1.00 0.00 C ATOM 6 CG MET A 1 -4.473 -14.370 26.298 1.00 0.00 C ATOM 7 SD MET A 1 -5.974 -13.880 27.170 1.00 0.00 S ATOM 8 CE MET A 1 -5.488 -14.196 28.863 1.00 0.00 C ATOM 0 H1 MET A 1 -2.004 -13.670 25.228 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.484 -13.878 23.625 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.666 -12.715 23.990 1.00 0.00 H new ATOM 0 HA MET A 1 -2.993 -15.626 24.385 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.921 -13.280 24.517 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.436 -14.955 24.484 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.208 -15.389 26.582 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.649 -13.728 26.610 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.311 -13.942 29.531 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.238 -15.251 28.979 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.618 -13.588 29.111 1.00 0.00 H new ATOM 20 N SER A 2 -3.200 -15.849 21.916 1.00 0.00 N ATOM 21 CA SER A 2 -3.455 -16.091 20.509 1.00 0.00 C ATOM 22 C SER A 2 -4.825 -16.736 20.325 1.00 0.00 C ATOM 23 O SER A 2 -4.949 -17.960 20.245 1.00 0.00 O ATOM 24 CB SER A 2 -2.355 -16.975 19.920 1.00 0.00 C ATOM 25 OG SER A 2 -1.075 -16.418 20.169 1.00 0.00 O ATOM 0 H SER A 2 -2.627 -16.561 22.369 1.00 0.00 H new ATOM 0 HA SER A 2 -3.452 -15.139 19.979 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.413 -17.973 20.354 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.506 -17.085 18.846 1.00 0.00 H new ATOM 0 HG SER A 2 -0.385 -16.999 19.786 1.00 0.00 H new ATOM 31 N PHE A 3 -5.851 -15.901 20.313 1.00 0.00 N ATOM 32 CA PHE A 3 -7.225 -16.359 20.156 1.00 0.00 C ATOM 33 C PHE A 3 -8.048 -15.296 19.439 1.00 0.00 C ATOM 34 O PHE A 3 -8.953 -15.613 18.666 1.00 0.00 O ATOM 35 CB PHE A 3 -7.840 -16.672 21.528 1.00 0.00 C ATOM 36 CG PHE A 3 -9.252 -17.188 21.468 1.00 0.00 C ATOM 37 CD1 PHE A 3 -9.501 -18.536 21.270 1.00 0.00 C ATOM 38 CD2 PHE A 3 -10.328 -16.326 21.616 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.796 -19.016 21.220 1.00 0.00 C ATOM 40 CE2 PHE A 3 -11.626 -16.800 21.567 1.00 0.00 C ATOM 41 CZ PHE A 3 -11.860 -18.146 21.368 1.00 0.00 C ATOM 0 H PHE A 3 -5.758 -14.890 20.411 1.00 0.00 H new ATOM 0 HA PHE A 3 -7.228 -17.270 19.558 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.217 -17.410 22.033 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -7.821 -15.768 22.137 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -8.673 -19.220 21.153 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -10.150 -15.272 21.771 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.977 -20.070 21.065 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.455 -16.118 21.684 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.873 -18.519 21.328 1.00 0.00 H new ATOM 51 N ASN A 4 -7.723 -14.036 19.711 1.00 0.00 N ATOM 52 CA ASN A 4 -8.407 -12.903 19.097 1.00 0.00 C ATOM 53 C ASN A 4 -8.213 -12.900 17.586 1.00 0.00 C ATOM 54 O ASN A 4 -7.156 -12.512 17.086 1.00 0.00 O ATOM 55 CB ASN A 4 -7.890 -11.582 19.677 1.00 0.00 C ATOM 56 CG ASN A 4 -8.221 -11.398 21.148 1.00 0.00 C ATOM 57 OD1 ASN A 4 -8.322 -12.363 21.910 1.00 0.00 O ATOM 58 ND2 ASN A 4 -8.388 -10.153 21.561 1.00 0.00 N ATOM 0 H ASN A 4 -6.982 -13.772 20.360 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.470 -13.002 19.316 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.809 -11.535 19.547 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.315 -10.754 19.110 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.608 -9.965 22.539 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.297 -9.380 20.901 1.00 0.00 H new ATOM 65 N ALA A 5 -9.229 -13.349 16.868 1.00 0.00 N ATOM 66 CA ALA A 5 -9.201 -13.354 15.415 1.00 0.00 C ATOM 67 C ALA A 5 -10.389 -12.576 14.871 1.00 0.00 C ATOM 68 O ALA A 5 -11.501 -12.688 15.395 1.00 0.00 O ATOM 69 CB ALA A 5 -9.209 -14.783 14.889 1.00 0.00 C ATOM 0 H ALA A 5 -10.090 -13.718 17.272 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.284 -12.872 15.077 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.188 -14.770 13.799 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.333 -15.313 15.263 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.112 -15.290 15.228 1.00 0.00 H new ATOM 75 N ASN A 6 -10.159 -11.790 13.829 1.00 0.00 N ATOM 76 CA ASN A 6 -11.209 -10.956 13.259 1.00 0.00 C ATOM 77 C ASN A 6 -10.859 -10.585 11.817 1.00 0.00 C ATOM 78 O ASN A 6 -10.830 -11.453 10.946 1.00 0.00 O ATOM 79 CB ASN A 6 -11.417 -9.694 14.109 1.00 0.00 C ATOM 80 CG ASN A 6 -12.723 -8.977 13.798 1.00 0.00 C ATOM 81 OD1 ASN A 6 -12.793 -8.149 12.887 1.00 0.00 O ATOM 82 ND2 ASN A 6 -13.758 -9.279 14.564 1.00 0.00 N ATOM 0 H ASN A 6 -9.256 -11.712 13.361 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.142 -11.520 13.257 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -11.401 -9.966 15.164 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.585 -9.010 13.944 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -14.656 -8.821 14.411 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -13.658 -9.970 15.307 1.00 0.00 H new ATOM 89 N LEU A 7 -10.633 -9.288 11.574 1.00 0.00 N ATOM 90 CA LEU A 7 -10.243 -8.760 10.259 1.00 0.00 C ATOM 91 C LEU A 7 -11.429 -8.793 9.295 1.00 0.00 C ATOM 92 O LEU A 7 -11.465 -8.073 8.298 1.00 0.00 O ATOM 93 CB LEU A 7 -9.049 -9.538 9.687 1.00 0.00 C ATOM 94 CG LEU A 7 -8.473 -8.994 8.377 1.00 0.00 C ATOM 95 CD1 LEU A 7 -8.007 -7.556 8.549 1.00 0.00 C ATOM 96 CD2 LEU A 7 -7.326 -9.869 7.897 1.00 0.00 C ATOM 0 H LEU A 7 -10.716 -8.568 12.291 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.935 -7.722 10.386 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.255 -9.552 10.434 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.355 -10.572 9.527 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.262 -9.011 7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.601 -7.190 7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.850 -6.933 8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.235 -7.513 9.317 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.928 -9.468 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.539 -9.883 8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.687 -10.884 7.731 1.00 0.00 H new ATOM 108 N ASP A 8 -12.417 -9.594 9.646 1.00 0.00 N ATOM 109 CA ASP A 8 -13.591 -9.815 8.812 1.00 0.00 C ATOM 110 C ASP A 8 -14.477 -8.575 8.801 1.00 0.00 C ATOM 111 O ASP A 8 -14.960 -8.139 7.751 1.00 0.00 O ATOM 112 CB ASP A 8 -14.362 -11.024 9.340 1.00 0.00 C ATOM 113 CG ASP A 8 -15.533 -11.412 8.465 1.00 0.00 C ATOM 114 OD1 ASP A 8 -15.300 -11.994 7.381 1.00 0.00 O ATOM 115 OD2 ASP A 8 -16.687 -11.162 8.865 1.00 0.00 O ATOM 0 H ASP A 8 -12.431 -10.115 10.523 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.276 -10.011 7.787 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.682 -11.872 9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.724 -10.806 10.345 1.00 0.00 H new ATOM 120 N THR A 9 -14.659 -7.997 9.976 1.00 0.00 N ATOM 121 CA THR A 9 -15.451 -6.789 10.121 1.00 0.00 C ATOM 122 C THR A 9 -14.733 -5.595 9.486 1.00 0.00 C ATOM 123 O THR A 9 -15.365 -4.645 9.024 1.00 0.00 O ATOM 124 CB THR A 9 -15.729 -6.526 11.611 1.00 0.00 C ATOM 125 OG1 THR A 9 -16.157 -7.752 12.223 1.00 0.00 O ATOM 126 CG2 THR A 9 -16.799 -5.459 11.797 1.00 0.00 C ATOM 0 H THR A 9 -14.266 -8.348 10.849 1.00 0.00 H new ATOM 0 HA THR A 9 -16.401 -6.924 9.604 1.00 0.00 H new ATOM 0 HB THR A 9 -14.814 -6.164 12.080 1.00 0.00 H new ATOM 0 HG1 THR A 9 -16.336 -7.598 13.174 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.971 -5.298 12.861 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.468 -4.528 11.338 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.725 -5.787 11.325 1.00 0.00 H new ATOM 134 N LEU A 10 -13.406 -5.672 9.434 1.00 0.00 N ATOM 135 CA LEU A 10 -12.605 -4.631 8.804 1.00 0.00 C ATOM 136 C LEU A 10 -12.773 -4.681 7.289 1.00 0.00 C ATOM 137 O LEU A 10 -12.701 -3.661 6.615 1.00 0.00 O ATOM 138 CB LEU A 10 -11.128 -4.783 9.178 1.00 0.00 C ATOM 139 CG LEU A 10 -10.811 -4.622 10.666 1.00 0.00 C ATOM 140 CD1 LEU A 10 -9.323 -4.811 10.918 1.00 0.00 C ATOM 141 CD2 LEU A 10 -11.260 -3.257 11.163 1.00 0.00 C ATOM 0 H LEU A 10 -12.864 -6.445 9.821 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.953 -3.664 9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.788 -5.767 8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.551 -4.047 8.619 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.357 -5.388 11.217 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.116 -4.693 11.982 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.024 -5.809 10.599 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.761 -4.066 10.354 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.026 -3.161 12.223 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.741 -2.478 10.605 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.335 -3.152 11.018 1.00 0.00 H new ATOM 153 N TYR A 11 -13.014 -5.878 6.772 1.00 0.00 N ATOM 154 CA TYR A 11 -13.265 -6.078 5.354 1.00 0.00 C ATOM 155 C TYR A 11 -14.471 -5.277 4.928 1.00 0.00 C ATOM 156 O TYR A 11 -14.414 -4.550 3.951 1.00 0.00 O ATOM 157 CB TYR A 11 -13.517 -7.551 5.018 1.00 0.00 C ATOM 158 CG TYR A 11 -12.296 -8.438 5.065 1.00 0.00 C ATOM 159 CD1 TYR A 11 -11.089 -8.032 4.510 1.00 0.00 C ATOM 160 CD2 TYR A 11 -12.356 -9.692 5.656 1.00 0.00 C ATOM 161 CE1 TYR A 11 -9.978 -8.853 4.544 1.00 0.00 C ATOM 162 CE2 TYR A 11 -11.253 -10.520 5.691 1.00 0.00 C ATOM 163 CZ TYR A 11 -10.067 -10.095 5.135 1.00 0.00 C ATOM 164 OH TYR A 11 -8.969 -10.922 5.164 1.00 0.00 O ATOM 0 H TYR A 11 -13.041 -6.735 7.324 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.374 -5.748 4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -14.259 -7.944 5.713 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -13.952 -7.611 4.020 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.018 -7.060 4.045 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -13.284 -10.026 6.097 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.046 -8.523 4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.319 -11.495 6.151 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.202 -11.759 5.618 1.00 0.00 H new ATOM 174 N ARG A 12 -15.563 -5.406 5.676 1.00 0.00 N ATOM 175 CA ARG A 12 -16.789 -4.671 5.361 1.00 0.00 C ATOM 176 C ARG A 12 -16.536 -3.172 5.374 1.00 0.00 C ATOM 177 O ARG A 12 -17.118 -2.427 4.586 1.00 0.00 O ATOM 178 CB ARG A 12 -17.921 -5.032 6.329 1.00 0.00 C ATOM 179 CG ARG A 12 -18.714 -6.252 5.892 1.00 0.00 C ATOM 180 CD ARG A 12 -17.835 -7.487 5.811 1.00 0.00 C ATOM 181 NE ARG A 12 -18.425 -8.534 4.984 1.00 0.00 N ATOM 182 CZ ARG A 12 -18.255 -9.832 5.214 1.00 0.00 C ATOM 183 NH1 ARG A 12 -17.669 -10.234 6.332 1.00 0.00 N ATOM 184 NH2 ARG A 12 -18.691 -10.728 4.341 1.00 0.00 N ATOM 0 H ARG A 12 -15.627 -6.007 6.498 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.100 -4.962 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -17.501 -5.215 7.318 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -18.596 -4.181 6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -19.528 -6.429 6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -19.168 -6.063 4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.862 -7.211 5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -17.663 -7.874 6.815 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.998 -8.255 4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.349 -9.548 7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.538 -11.230 6.510 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -19.159 -10.423 3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -18.558 -11.723 4.522 1.00 0.00 H new ATOM 198 N GLN A 13 -15.646 -2.743 6.252 1.00 0.00 N ATOM 199 CA GLN A 13 -15.266 -1.344 6.325 1.00 0.00 C ATOM 200 C GLN A 13 -14.423 -0.957 5.116 1.00 0.00 C ATOM 201 O GLN A 13 -14.710 0.032 4.437 1.00 0.00 O ATOM 202 CB GLN A 13 -14.480 -1.058 7.605 1.00 0.00 C ATOM 203 CG GLN A 13 -15.248 -1.359 8.879 1.00 0.00 C ATOM 204 CD GLN A 13 -14.419 -1.120 10.127 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.604 -1.787 11.144 1.00 0.00 O ATOM 206 NE2 GLN A 13 -13.504 -0.161 10.064 1.00 0.00 N ATOM 0 H GLN A 13 -15.172 -3.345 6.925 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.180 -0.751 6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.564 -1.649 7.597 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.183 -0.009 7.611 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.142 -0.737 8.916 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.582 -2.396 8.862 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.381 0.370 9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.924 0.045 10.877 1.00 0.00 H new ATOM 215 N VAL A 14 -13.392 -1.754 4.833 1.00 0.00 N ATOM 216 CA VAL A 14 -12.438 -1.395 3.786 1.00 0.00 C ATOM 217 C VAL A 14 -13.020 -1.615 2.386 1.00 0.00 C ATOM 218 O VAL A 14 -12.827 -0.793 1.489 1.00 0.00 O ATOM 219 CB VAL A 14 -11.109 -2.170 3.927 1.00 0.00 C ATOM 220 CG1 VAL A 14 -10.130 -1.758 2.839 1.00 0.00 C ATOM 221 CG2 VAL A 14 -10.498 -1.935 5.300 1.00 0.00 C ATOM 0 H VAL A 14 -13.199 -2.637 5.305 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.232 -0.332 3.912 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.322 -3.233 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.200 -2.315 2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.561 -1.973 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.926 -0.690 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.563 -2.489 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.303 -0.871 5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.190 -2.277 6.070 1.00 0.00 H new ATOM 231 N ILE A 15 -13.758 -2.703 2.204 1.00 0.00 N ATOM 232 CA ILE A 15 -14.306 -3.032 0.894 1.00 0.00 C ATOM 233 C ILE A 15 -15.437 -2.075 0.528 1.00 0.00 C ATOM 234 O ILE A 15 -15.669 -1.814 -0.648 1.00 0.00 O ATOM 235 CB ILE A 15 -14.804 -4.499 0.809 1.00 0.00 C ATOM 236 CG1 ILE A 15 -14.910 -4.936 -0.658 1.00 0.00 C ATOM 237 CG2 ILE A 15 -16.152 -4.663 1.504 1.00 0.00 C ATOM 238 CD1 ILE A 15 -15.277 -6.395 -0.841 1.00 0.00 C ATOM 0 H ILE A 15 -13.990 -3.369 2.941 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.492 -2.922 0.177 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.080 -5.133 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -15.657 -4.319 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -13.957 -4.747 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -16.476 -5.701 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.056 -4.388 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -16.889 -4.017 1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -15.332 -6.626 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.519 -7.022 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.244 -6.588 -0.377 1.00 0.00 H new ATOM 250 N MET A 16 -16.125 -1.537 1.536 1.00 0.00 N ATOM 251 CA MET A 16 -17.182 -0.565 1.285 1.00 0.00 C ATOM 252 C MET A 16 -16.577 0.714 0.722 1.00 0.00 C ATOM 253 O MET A 16 -17.131 1.335 -0.188 1.00 0.00 O ATOM 254 CB MET A 16 -17.969 -0.260 2.562 1.00 0.00 C ATOM 255 CG MET A 16 -19.155 0.664 2.338 1.00 0.00 C ATOM 256 SD MET A 16 -20.114 0.954 3.838 1.00 0.00 S ATOM 257 CE MET A 16 -21.417 2.008 3.204 1.00 0.00 C ATOM 0 H MET A 16 -15.970 -1.756 2.520 1.00 0.00 H new ATOM 0 HA MET A 16 -17.875 -0.990 0.559 1.00 0.00 H new ATOM 0 HB2 MET A 16 -18.324 -1.196 2.992 1.00 0.00 H new ATOM 0 HB3 MET A 16 -17.299 0.193 3.293 1.00 0.00 H new ATOM 0 HG2 MET A 16 -18.797 1.618 1.952 1.00 0.00 H new ATOM 0 HG3 MET A 16 -19.804 0.235 1.575 1.00 0.00 H new ATOM 0 HE1 MET A 16 -22.095 2.275 4.014 1.00 0.00 H new ATOM 0 HE2 MET A 16 -20.980 2.914 2.783 1.00 0.00 H new ATOM 0 HE3 MET A 16 -21.969 1.477 2.428 1.00 0.00 H new ATOM 267 N ASP A 17 -15.424 1.090 1.255 1.00 0.00 N ATOM 268 CA ASP A 17 -14.695 2.241 0.745 1.00 0.00 C ATOM 269 C ASP A 17 -14.143 1.929 -0.641 1.00 0.00 C ATOM 270 O ASP A 17 -14.237 2.743 -1.558 1.00 0.00 O ATOM 271 CB ASP A 17 -13.553 2.626 1.686 1.00 0.00 C ATOM 272 CG ASP A 17 -12.892 3.929 1.284 1.00 0.00 C ATOM 273 OD1 ASP A 17 -13.355 4.994 1.740 1.00 0.00 O ATOM 274 OD2 ASP A 17 -11.921 3.899 0.504 1.00 0.00 O ATOM 0 H ASP A 17 -14.974 0.616 2.038 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.383 3.084 0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.937 2.714 2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.808 1.830 1.694 1.00 0.00 H new ATOM 279 N HIS A 18 -13.595 0.726 -0.787 1.00 0.00 N ATOM 280 CA HIS A 18 -13.036 0.273 -2.060 1.00 0.00 C ATOM 281 C HIS A 18 -14.125 0.193 -3.133 1.00 0.00 C ATOM 282 O HIS A 18 -13.848 0.324 -4.325 1.00 0.00 O ATOM 283 CB HIS A 18 -12.370 -1.096 -1.876 1.00 0.00 C ATOM 284 CG HIS A 18 -11.508 -1.509 -3.026 1.00 0.00 C ATOM 285 ND1 HIS A 18 -11.634 -2.717 -3.679 1.00 0.00 N ATOM 286 CD2 HIS A 18 -10.473 -0.873 -3.619 1.00 0.00 C ATOM 287 CE1 HIS A 18 -10.716 -2.802 -4.620 1.00 0.00 C ATOM 288 NE2 HIS A 18 -9.997 -1.696 -4.606 1.00 0.00 N ATOM 0 H HIS A 18 -13.525 0.042 -0.034 1.00 0.00 H new ATOM 0 HA HIS A 18 -12.288 0.994 -2.389 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.765 -1.076 -0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.144 -1.849 -1.726 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.091 0.104 -3.362 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.576 -3.637 -5.290 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -9.215 -1.488 -5.227 1.00 0.00 H new ATOM 297 N TYR A 19 -15.354 -0.033 -2.687 1.00 0.00 N ATOM 298 CA TYR A 19 -16.525 -0.069 -3.556 1.00 0.00 C ATOM 299 C TYR A 19 -16.870 1.334 -4.047 1.00 0.00 C ATOM 300 O TYR A 19 -17.244 1.532 -5.204 1.00 0.00 O ATOM 301 CB TYR A 19 -17.691 -0.667 -2.769 1.00 0.00 C ATOM 302 CG TYR A 19 -19.014 -0.693 -3.498 1.00 0.00 C ATOM 303 CD1 TYR A 19 -19.231 -1.557 -4.560 1.00 0.00 C ATOM 304 CD2 TYR A 19 -20.057 0.139 -3.105 1.00 0.00 C ATOM 305 CE1 TYR A 19 -20.445 -1.588 -5.218 1.00 0.00 C ATOM 306 CE2 TYR A 19 -21.274 0.112 -3.755 1.00 0.00 C ATOM 307 CZ TYR A 19 -21.464 -0.754 -4.810 1.00 0.00 C ATOM 308 OH TYR A 19 -22.678 -0.784 -5.459 1.00 0.00 O ATOM 0 H TYR A 19 -15.569 -0.198 -1.704 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.318 -0.683 -4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.431 -1.687 -2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -17.814 -0.100 -1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -18.438 -2.217 -4.878 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.912 0.817 -2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -20.595 -2.262 -6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -22.073 0.766 -3.439 1.00 0.00 H new ATOM 0 HH TYR A 19 -23.286 -0.135 -5.046 1.00 0.00 H new ATOM 318 N LYS A 20 -16.741 2.299 -3.148 1.00 0.00 N ATOM 319 CA LYS A 20 -16.911 3.704 -3.489 1.00 0.00 C ATOM 320 C LYS A 20 -15.841 4.137 -4.485 1.00 0.00 C ATOM 321 O LYS A 20 -16.074 4.986 -5.346 1.00 0.00 O ATOM 322 CB LYS A 20 -16.833 4.553 -2.213 1.00 0.00 C ATOM 323 CG LYS A 20 -16.554 6.029 -2.456 1.00 0.00 C ATOM 324 CD LYS A 20 -16.500 6.809 -1.151 1.00 0.00 C ATOM 325 CE LYS A 20 -15.453 6.253 -0.196 1.00 0.00 C ATOM 326 NZ LYS A 20 -14.061 6.438 -0.690 1.00 0.00 N ATOM 0 H LYS A 20 -16.517 2.132 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.887 3.848 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.773 4.458 -1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.051 4.149 -1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.608 6.139 -2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -17.330 6.446 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.278 7.855 -1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.479 6.782 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.557 6.741 0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.639 5.191 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.389 6.150 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.913 5.855 -1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.907 7.439 -0.927 1.00 0.00 H new ATOM 340 N ASN A 21 -14.676 3.528 -4.369 1.00 0.00 N ATOM 341 CA ASN A 21 -13.548 3.853 -5.228 1.00 0.00 C ATOM 342 C ASN A 21 -13.657 3.080 -6.543 1.00 0.00 C ATOM 343 O ASN A 21 -14.462 2.155 -6.651 1.00 0.00 O ATOM 344 CB ASN A 21 -12.231 3.532 -4.507 1.00 0.00 C ATOM 345 CG ASN A 21 -12.094 4.276 -3.187 1.00 0.00 C ATOM 346 OD1 ASN A 21 -12.645 5.364 -3.009 1.00 0.00 O ATOM 347 ND2 ASN A 21 -11.353 3.696 -2.255 1.00 0.00 N ATOM 0 H ASN A 21 -14.483 2.799 -3.682 1.00 0.00 H new ATOM 0 HA ASN A 21 -13.561 4.919 -5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.173 2.459 -4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.393 3.790 -5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.222 4.151 -1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.913 2.795 -2.441 1.00 0.00 H new ATOM 354 N PRO A 22 -12.859 3.444 -7.568 1.00 0.00 N ATOM 355 CA PRO A 22 -12.899 2.790 -8.889 1.00 0.00 C ATOM 356 C PRO A 22 -12.341 1.364 -8.880 1.00 0.00 C ATOM 357 O PRO A 22 -12.033 0.809 -9.935 1.00 0.00 O ATOM 358 CB PRO A 22 -12.015 3.685 -9.772 1.00 0.00 C ATOM 359 CG PRO A 22 -11.802 4.938 -8.989 1.00 0.00 C ATOM 360 CD PRO A 22 -11.880 4.541 -7.547 1.00 0.00 C ATOM 0 HA PRO A 22 -13.927 2.689 -9.237 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -11.066 3.198 -9.998 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -12.500 3.896 -10.725 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.834 5.383 -9.220 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -12.560 5.683 -9.230 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -10.913 4.214 -7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.210 5.367 -6.917 1.00 0.00 H new ATOM 368 N ARG A 23 -12.228 0.780 -7.687 1.00 0.00 N ATOM 369 CA ARG A 23 -11.696 -0.570 -7.512 1.00 0.00 C ATOM 370 C ARG A 23 -10.269 -0.671 -8.046 1.00 0.00 C ATOM 371 O ARG A 23 -9.574 0.336 -8.176 1.00 0.00 O ATOM 372 CB ARG A 23 -12.598 -1.603 -8.193 1.00 0.00 C ATOM 373 CG ARG A 23 -14.023 -1.602 -7.664 1.00 0.00 C ATOM 374 CD ARG A 23 -14.848 -2.718 -8.279 1.00 0.00 C ATOM 375 NE ARG A 23 -16.233 -2.678 -7.818 1.00 0.00 N ATOM 376 CZ ARG A 23 -16.906 -3.735 -7.365 1.00 0.00 C ATOM 377 NH1 ARG A 23 -16.335 -4.933 -7.324 1.00 0.00 N ATOM 378 NH2 ARG A 23 -18.164 -3.598 -6.975 1.00 0.00 N ATOM 0 H ARG A 23 -12.503 1.231 -6.814 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.674 -0.784 -6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.616 -1.408 -9.265 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.168 -2.595 -8.057 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.009 -1.714 -6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.491 -0.641 -7.879 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.823 -2.634 -9.365 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.406 -3.681 -8.024 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.718 -1.781 -7.845 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.373 -5.050 -7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.859 -5.736 -6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.616 -2.685 -7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.681 -4.406 -6.628 1.00 0.00 H new ATOM 392 N ASN A 24 -9.826 -1.888 -8.332 1.00 0.00 N ATOM 393 CA ASN A 24 -8.469 -2.098 -8.815 1.00 0.00 C ATOM 394 C ASN A 24 -8.447 -2.353 -10.316 1.00 0.00 C ATOM 395 O ASN A 24 -8.383 -3.498 -10.761 1.00 0.00 O ATOM 396 CB ASN A 24 -7.777 -3.251 -8.075 1.00 0.00 C ATOM 397 CG ASN A 24 -7.252 -2.844 -6.708 1.00 0.00 C ATOM 398 OD1 ASN A 24 -7.818 -1.982 -6.037 1.00 0.00 O ATOM 399 ND2 ASN A 24 -6.161 -3.462 -6.284 1.00 0.00 N ATOM 0 H ASN A 24 -10.382 -2.738 -8.239 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.916 -1.181 -8.612 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.480 -4.075 -7.958 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.950 -3.621 -8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.763 -3.228 -5.374 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.718 -4.172 -6.867 1.00 0.00 H new ATOM 406 N LYS A 25 -8.534 -1.275 -11.086 1.00 0.00 N ATOM 407 CA LYS A 25 -8.384 -1.335 -12.536 1.00 0.00 C ATOM 408 C LYS A 25 -7.705 -0.068 -13.037 1.00 0.00 C ATOM 409 O LYS A 25 -8.362 0.952 -13.262 1.00 0.00 O ATOM 410 CB LYS A 25 -9.733 -1.492 -13.248 1.00 0.00 C ATOM 411 CG LYS A 25 -10.351 -2.877 -13.154 1.00 0.00 C ATOM 412 CD LYS A 25 -11.533 -2.997 -14.100 1.00 0.00 C ATOM 413 CE LYS A 25 -12.216 -4.349 -13.991 1.00 0.00 C ATOM 414 NZ LYS A 25 -13.324 -4.484 -14.975 1.00 0.00 N ATOM 0 H LYS A 25 -8.710 -0.337 -10.725 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.775 -2.210 -12.763 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.434 -0.769 -12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.603 -1.239 -14.300 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.604 -3.632 -13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.675 -3.068 -12.131 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.253 -2.209 -13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.194 -2.844 -15.125 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.485 -5.141 -14.155 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.607 -4.479 -12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.768 -5.419 -14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.033 -3.743 -14.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.946 -4.384 -15.939 1.00 0.00 H new ATOM 428 N GLY A 26 -6.392 -0.119 -13.183 1.00 0.00 N ATOM 429 CA GLY A 26 -5.671 1.025 -13.686 1.00 0.00 C ATOM 430 C GLY A 26 -4.238 0.700 -14.053 1.00 0.00 C ATOM 431 O GLY A 26 -3.529 0.041 -13.291 1.00 0.00 O ATOM 0 H GLY A 26 -5.815 -0.931 -12.962 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.186 1.417 -14.563 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.679 1.813 -12.933 1.00 0.00 H new ATOM 435 N VAL A 27 -3.816 1.161 -15.220 1.00 0.00 N ATOM 436 CA VAL A 27 -2.445 0.985 -15.666 1.00 0.00 C ATOM 437 C VAL A 27 -1.898 2.294 -16.241 1.00 0.00 C ATOM 438 O VAL A 27 -2.262 2.715 -17.340 1.00 0.00 O ATOM 439 CB VAL A 27 -2.324 -0.163 -16.703 1.00 0.00 C ATOM 440 CG1 VAL A 27 -3.362 -0.024 -17.811 1.00 0.00 C ATOM 441 CG2 VAL A 27 -0.918 -0.223 -17.290 1.00 0.00 C ATOM 0 H VAL A 27 -4.410 1.664 -15.879 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.846 0.707 -14.799 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.517 -1.099 -16.179 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.249 -0.844 -18.520 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.362 -0.053 -17.378 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.218 0.925 -18.328 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.860 -1.036 -18.014 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.690 0.721 -17.785 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.197 -0.397 -16.491 1.00 0.00 H new ATOM 451 N LEU A 28 -1.053 2.956 -15.470 1.00 0.00 N ATOM 452 CA LEU A 28 -0.456 4.212 -15.898 1.00 0.00 C ATOM 453 C LEU A 28 1.037 4.022 -16.151 1.00 0.00 C ATOM 454 O LEU A 28 1.862 4.198 -15.253 1.00 0.00 O ATOM 455 CB LEU A 28 -0.679 5.290 -14.833 1.00 0.00 C ATOM 456 CG LEU A 28 -0.804 6.734 -15.340 1.00 0.00 C ATOM 457 CD1 LEU A 28 -0.928 7.683 -14.163 1.00 0.00 C ATOM 458 CD2 LEU A 28 0.380 7.136 -16.206 1.00 0.00 C ATOM 0 H LEU A 28 -0.764 2.645 -14.543 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.932 4.532 -16.825 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.585 5.042 -14.280 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.148 5.247 -14.125 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.700 6.792 -15.958 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.016 8.706 -14.528 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.814 7.428 -13.581 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.043 7.598 -13.532 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.251 8.164 -16.544 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.299 7.057 -15.625 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.439 6.475 -17.071 1.00 0.00 H new ATOM 470 N ASN A 29 1.385 3.650 -17.369 1.00 0.00 N ATOM 471 CA ASN A 29 2.781 3.454 -17.721 1.00 0.00 C ATOM 472 C ASN A 29 3.429 4.796 -18.026 1.00 0.00 C ATOM 473 O ASN A 29 3.261 5.342 -19.117 1.00 0.00 O ATOM 474 CB ASN A 29 2.916 2.512 -18.920 1.00 0.00 C ATOM 475 CG ASN A 29 4.364 2.219 -19.258 1.00 0.00 C ATOM 476 OD1 ASN A 29 4.983 2.912 -20.066 1.00 0.00 O ATOM 477 ND2 ASN A 29 4.912 1.188 -18.641 1.00 0.00 N ATOM 0 H ASN A 29 0.725 3.478 -18.128 1.00 0.00 H new ATOM 0 HA ASN A 29 3.291 2.995 -16.874 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.399 1.577 -18.705 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.425 2.956 -19.786 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.884 0.940 -18.827 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.364 0.640 -17.978 1.00 0.00 H new ATOM 484 N ASP A 30 4.140 5.341 -17.049 1.00 0.00 N ATOM 485 CA ASP A 30 4.764 6.651 -17.198 1.00 0.00 C ATOM 486 C ASP A 30 6.113 6.700 -16.494 1.00 0.00 C ATOM 487 O ASP A 30 7.164 6.688 -17.137 1.00 0.00 O ATOM 488 CB ASP A 30 3.846 7.740 -16.637 1.00 0.00 C ATOM 489 CG ASP A 30 4.464 9.120 -16.713 1.00 0.00 C ATOM 490 OD1 ASP A 30 4.363 9.766 -17.774 1.00 0.00 O ATOM 491 OD2 ASP A 30 5.045 9.576 -15.704 1.00 0.00 O ATOM 0 H ASP A 30 4.300 4.898 -16.144 1.00 0.00 H new ATOM 0 HA ASP A 30 4.926 6.827 -18.261 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.906 7.736 -17.188 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.608 7.510 -15.599 1.00 0.00 H new ATOM 496 N SER A 31 6.076 6.749 -15.173 1.00 0.00 N ATOM 497 CA SER A 31 7.288 6.842 -14.378 1.00 0.00 C ATOM 498 C SER A 31 7.352 5.709 -13.360 1.00 0.00 C ATOM 499 O SER A 31 8.258 4.870 -13.399 1.00 0.00 O ATOM 500 CB SER A 31 7.343 8.208 -13.688 1.00 0.00 C ATOM 501 OG SER A 31 6.039 8.644 -13.330 1.00 0.00 O ATOM 0 H SER A 31 5.215 6.726 -14.627 1.00 0.00 H new ATOM 0 HA SER A 31 8.155 6.745 -15.032 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.968 8.146 -12.797 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.806 8.938 -14.352 1.00 0.00 H new ATOM 0 HG SER A 31 5.640 9.133 -14.080 1.00 0.00 H new ATOM 507 N ILE A 32 6.391 5.676 -12.448 1.00 0.00 N ATOM 508 CA ILE A 32 6.324 4.592 -11.479 1.00 0.00 C ATOM 509 C ILE A 32 5.434 3.470 -11.984 1.00 0.00 C ATOM 510 O ILE A 32 4.245 3.665 -12.229 1.00 0.00 O ATOM 511 CB ILE A 32 5.817 5.062 -10.106 1.00 0.00 C ATOM 512 CG1 ILE A 32 6.792 6.068 -9.502 1.00 0.00 C ATOM 513 CG2 ILE A 32 5.625 3.875 -9.167 1.00 0.00 C ATOM 514 CD1 ILE A 32 6.429 6.482 -8.097 1.00 0.00 C ATOM 0 H ILE A 32 5.656 6.377 -12.359 1.00 0.00 H new ATOM 0 HA ILE A 32 7.344 4.227 -11.356 1.00 0.00 H new ATOM 0 HB ILE A 32 4.851 5.548 -10.241 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.793 5.636 -9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.829 6.954 -10.136 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.266 4.230 -8.201 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.896 3.187 -9.595 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.576 3.359 -9.033 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.163 7.198 -7.728 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.441 6.942 -8.097 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.420 5.605 -7.450 1.00 0.00 H new ATOM 526 N VAL A 33 6.028 2.302 -12.142 1.00 0.00 N ATOM 527 CA VAL A 33 5.304 1.116 -12.578 1.00 0.00 C ATOM 528 C VAL A 33 5.741 -0.082 -11.746 1.00 0.00 C ATOM 529 O VAL A 33 6.783 -0.685 -12.010 1.00 0.00 O ATOM 530 CB VAL A 33 5.534 0.802 -14.079 1.00 0.00 C ATOM 531 CG1 VAL A 33 4.709 -0.403 -14.512 1.00 0.00 C ATOM 532 CG2 VAL A 33 5.205 2.008 -14.949 1.00 0.00 C ATOM 0 H VAL A 33 7.022 2.146 -11.973 1.00 0.00 H new ATOM 0 HA VAL A 33 4.241 1.315 -12.439 1.00 0.00 H new ATOM 0 HB VAL A 33 6.590 0.565 -14.210 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.886 -0.605 -15.568 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.999 -1.273 -13.923 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.651 -0.195 -14.355 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.376 1.759 -15.996 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.160 2.285 -14.807 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.843 2.845 -14.667 1.00 0.00 H new ATOM 542 N VAL A 34 4.969 -0.397 -10.719 1.00 0.00 N ATOM 543 CA VAL A 34 5.281 -1.523 -9.854 1.00 0.00 C ATOM 544 C VAL A 34 4.362 -2.694 -10.168 1.00 0.00 C ATOM 545 O VAL A 34 3.148 -2.529 -10.251 1.00 0.00 O ATOM 546 CB VAL A 34 5.144 -1.155 -8.361 1.00 0.00 C ATOM 547 CG1 VAL A 34 5.639 -2.289 -7.478 1.00 0.00 C ATOM 548 CG2 VAL A 34 5.892 0.134 -8.049 1.00 0.00 C ATOM 0 H VAL A 34 4.122 0.111 -10.464 1.00 0.00 H new ATOM 0 HA VAL A 34 6.318 -1.801 -10.043 1.00 0.00 H new ATOM 0 HB VAL A 34 4.087 -0.994 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.533 -2.007 -6.430 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.051 -3.186 -7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.688 -2.488 -7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.781 0.372 -6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.949 0.007 -8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.483 0.947 -8.649 1.00 0.00 H new ATOM 558 N ASP A 35 4.946 -3.864 -10.353 1.00 0.00 N ATOM 559 CA ASP A 35 4.182 -5.056 -10.688 1.00 0.00 C ATOM 560 C ASP A 35 4.623 -6.219 -9.809 1.00 0.00 C ATOM 561 O ASP A 35 5.785 -6.623 -9.839 1.00 0.00 O ATOM 562 CB ASP A 35 4.370 -5.385 -12.172 1.00 0.00 C ATOM 563 CG ASP A 35 3.613 -6.619 -12.616 1.00 0.00 C ATOM 564 OD1 ASP A 35 2.385 -6.531 -12.819 1.00 0.00 O ATOM 565 OD2 ASP A 35 4.257 -7.672 -12.806 1.00 0.00 O ATOM 0 H ASP A 35 5.952 -4.016 -10.277 1.00 0.00 H new ATOM 0 HA ASP A 35 3.123 -4.876 -10.505 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.044 -4.534 -12.769 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.432 -5.527 -12.373 1.00 0.00 H new ATOM 570 N MET A 36 3.697 -6.744 -9.020 1.00 0.00 N ATOM 571 CA MET A 36 4.003 -7.788 -8.054 1.00 0.00 C ATOM 572 C MET A 36 3.037 -8.950 -8.227 1.00 0.00 C ATOM 573 O MET A 36 1.831 -8.804 -8.044 1.00 0.00 O ATOM 574 CB MET A 36 3.923 -7.246 -6.621 1.00 0.00 C ATOM 575 CG MET A 36 4.949 -6.166 -6.309 1.00 0.00 C ATOM 576 SD MET A 36 6.642 -6.786 -6.350 1.00 0.00 S ATOM 577 CE MET A 36 7.558 -5.297 -5.964 1.00 0.00 C ATOM 0 H MET A 36 2.717 -6.460 -9.031 1.00 0.00 H new ATOM 0 HA MET A 36 5.021 -8.136 -8.231 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.924 -6.844 -6.451 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.057 -8.072 -5.923 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.846 -5.353 -7.028 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.743 -5.748 -5.324 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.575 -5.560 -5.674 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.587 -4.650 -6.841 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.070 -4.773 -5.142 1.00 0.00 H new ATOM 587 N ASN A 37 3.580 -10.090 -8.602 1.00 0.00 N ATOM 588 CA ASN A 37 2.778 -11.279 -8.889 1.00 0.00 C ATOM 589 C ASN A 37 3.056 -12.386 -7.875 1.00 0.00 C ATOM 590 O ASN A 37 4.200 -12.577 -7.463 1.00 0.00 O ATOM 591 CB ASN A 37 3.108 -11.800 -10.295 1.00 0.00 C ATOM 592 CG ASN A 37 3.073 -10.709 -11.348 1.00 0.00 C ATOM 593 OD1 ASN A 37 2.065 -10.497 -12.019 1.00 0.00 O ATOM 594 ND2 ASN A 37 4.184 -10.008 -11.505 1.00 0.00 N ATOM 0 H ASN A 37 4.584 -10.226 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 37 1.726 -10.999 -8.827 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.097 -12.258 -10.285 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.398 -12.582 -10.564 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.223 -9.263 -12.201 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.001 -10.212 -10.930 1.00 0.00 H new ATOM 601 N ASN A 38 2.018 -13.104 -7.457 1.00 0.00 N ATOM 602 CA ASN A 38 2.201 -14.295 -6.635 1.00 0.00 C ATOM 603 C ASN A 38 1.226 -15.371 -7.088 1.00 0.00 C ATOM 604 O ASN A 38 0.028 -15.283 -6.821 1.00 0.00 O ATOM 605 CB ASN A 38 2.005 -13.989 -5.144 1.00 0.00 C ATOM 606 CG ASN A 38 2.123 -15.233 -4.276 1.00 0.00 C ATOM 607 OD1 ASN A 38 2.814 -16.189 -4.628 1.00 0.00 O ATOM 608 ND2 ASN A 38 1.457 -15.224 -3.128 1.00 0.00 N ATOM 0 H ASN A 38 1.046 -12.883 -7.673 1.00 0.00 H new ATOM 0 HA ASN A 38 3.224 -14.648 -6.761 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.746 -13.256 -4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.025 -13.537 -4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.508 -16.028 -2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.895 -14.413 -2.871 1.00 0.00 H new ATOM 615 N PRO A 39 1.740 -16.391 -7.789 1.00 0.00 N ATOM 616 CA PRO A 39 0.934 -17.439 -8.421 1.00 0.00 C ATOM 617 C PRO A 39 -0.217 -17.942 -7.552 1.00 0.00 C ATOM 618 O PRO A 39 -0.004 -18.514 -6.479 1.00 0.00 O ATOM 619 CB PRO A 39 1.943 -18.572 -8.685 1.00 0.00 C ATOM 620 CG PRO A 39 3.247 -18.111 -8.116 1.00 0.00 C ATOM 621 CD PRO A 39 3.166 -16.615 -8.030 1.00 0.00 C ATOM 0 HA PRO A 39 0.445 -17.060 -9.318 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.619 -19.500 -8.213 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.033 -18.772 -9.753 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.418 -18.548 -7.132 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.078 -18.419 -8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.782 -16.221 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.503 -16.136 -8.950 1.00 0.00 H new ATOM 629 N THR A 40 -1.434 -17.659 -8.011 1.00 0.00 N ATOM 630 CA THR A 40 -2.655 -18.243 -7.463 1.00 0.00 C ATOM 631 C THR A 40 -3.120 -17.585 -6.154 1.00 0.00 C ATOM 632 O THR A 40 -4.302 -17.648 -5.820 1.00 0.00 O ATOM 633 CB THR A 40 -2.499 -19.770 -7.268 1.00 0.00 C ATOM 634 OG1 THR A 40 -1.957 -20.352 -8.461 1.00 0.00 O ATOM 635 CG2 THR A 40 -3.833 -20.433 -6.952 1.00 0.00 C ATOM 0 H THR A 40 -1.601 -17.012 -8.781 1.00 0.00 H new ATOM 0 HA THR A 40 -3.433 -18.048 -8.201 1.00 0.00 H new ATOM 0 HB THR A 40 -1.827 -19.933 -6.426 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.857 -21.319 -8.337 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.685 -21.505 -6.822 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.242 -20.009 -6.035 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.529 -20.260 -7.773 1.00 0.00 H new ATOM 643 N CYS A 41 -2.232 -16.934 -5.413 1.00 0.00 N ATOM 644 CA CYS A 41 -2.645 -16.386 -4.127 1.00 0.00 C ATOM 645 C CYS A 41 -2.426 -14.879 -4.043 1.00 0.00 C ATOM 646 O CYS A 41 -3.009 -14.208 -3.176 1.00 0.00 O ATOM 647 CB CYS A 41 -1.942 -17.085 -2.964 1.00 0.00 C ATOM 648 SG CYS A 41 -2.610 -16.625 -1.339 1.00 0.00 S ATOM 0 H CYS A 41 -1.257 -16.776 -5.667 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.716 -16.573 -4.047 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.028 -18.164 -3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.879 -16.844 -2.994 1.00 0.00 H new ATOM 654 N GLY A 42 -1.596 -14.361 -4.915 1.00 0.00 N ATOM 655 CA GLY A 42 -1.364 -12.934 -4.997 1.00 0.00 C ATOM 656 C GLY A 42 -1.173 -12.547 -6.437 1.00 0.00 C ATOM 657 O GLY A 42 -0.237 -11.831 -6.777 1.00 0.00 O ATOM 0 H GLY A 42 -1.062 -14.912 -5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.208 -12.391 -4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.483 -12.662 -4.415 1.00 0.00 H new ATOM 661 N ASP A 43 -2.108 -13.034 -7.247 1.00 0.00 N ATOM 662 CA ASP A 43 -2.005 -13.100 -8.709 1.00 0.00 C ATOM 663 C ASP A 43 -1.150 -11.999 -9.302 1.00 0.00 C ATOM 664 O ASP A 43 -0.076 -12.282 -9.831 1.00 0.00 O ATOM 665 CB ASP A 43 -3.400 -13.092 -9.342 1.00 0.00 C ATOM 666 CG ASP A 43 -4.210 -14.314 -8.951 1.00 0.00 C ATOM 667 OD1 ASP A 43 -4.857 -14.283 -7.882 1.00 0.00 O ATOM 668 OD2 ASP A 43 -4.187 -15.316 -9.700 1.00 0.00 O ATOM 0 H ASP A 43 -2.990 -13.407 -6.896 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.502 -14.039 -8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.932 -12.191 -9.035 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.305 -13.052 -10.427 1.00 0.00 H new ATOM 673 N ARG A 44 -1.600 -10.757 -9.218 1.00 0.00 N ATOM 674 CA ARG A 44 -0.811 -9.658 -9.747 1.00 0.00 C ATOM 675 C ARG A 44 -1.355 -8.323 -9.289 1.00 0.00 C ATOM 676 O ARG A 44 -2.562 -8.127 -9.240 1.00 0.00 O ATOM 677 CB ARG A 44 -0.774 -9.710 -11.277 1.00 0.00 C ATOM 678 CG ARG A 44 -2.133 -9.584 -11.948 1.00 0.00 C ATOM 679 CD ARG A 44 -1.996 -9.660 -13.458 1.00 0.00 C ATOM 680 NE ARG A 44 -3.230 -9.290 -14.148 1.00 0.00 N ATOM 681 CZ ARG A 44 -3.453 -8.078 -14.654 1.00 0.00 C ATOM 682 NH1 ARG A 44 -2.537 -7.125 -14.527 1.00 0.00 N ATOM 683 NH2 ARG A 44 -4.584 -7.818 -15.294 1.00 0.00 N ATOM 0 H ARG A 44 -2.490 -10.488 -8.797 1.00 0.00 H new ATOM 0 HA ARG A 44 0.204 -9.764 -9.363 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.129 -8.909 -11.639 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.317 -10.651 -11.585 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.792 -10.378 -11.597 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.596 -8.638 -11.667 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.191 -9.000 -13.781 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.713 -10.673 -13.744 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.959 -9.997 -14.247 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.661 -7.321 -14.042 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.709 -6.197 -14.915 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.289 -8.548 -15.401 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.750 -6.888 -15.679 1.00 0.00 H new ATOM 697 N ILE A 45 -0.463 -7.418 -8.934 1.00 0.00 N ATOM 698 CA ILE A 45 -0.845 -6.055 -8.614 1.00 0.00 C ATOM 699 C ILE A 45 0.067 -5.076 -9.341 1.00 0.00 C ATOM 700 O ILE A 45 1.280 -5.048 -9.121 1.00 0.00 O ATOM 701 CB ILE A 45 -0.824 -5.785 -7.088 1.00 0.00 C ATOM 702 CG1 ILE A 45 -1.180 -4.320 -6.801 1.00 0.00 C ATOM 703 CG2 ILE A 45 0.528 -6.142 -6.485 1.00 0.00 C ATOM 704 CD1 ILE A 45 -1.219 -3.976 -5.327 1.00 0.00 C ATOM 0 H ILE A 45 0.537 -7.603 -8.860 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.872 -5.912 -8.950 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.574 -6.422 -6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.453 -3.676 -7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.152 -4.100 -7.241 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.513 -5.942 -5.414 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.734 -7.199 -6.654 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.306 -5.541 -6.955 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.477 -2.924 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.967 -4.593 -4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.241 -4.163 -4.884 1.00 0.00 H new ATOM 716 N ARG A 46 -0.515 -4.312 -10.245 1.00 0.00 N ATOM 717 CA ARG A 46 0.222 -3.305 -10.976 1.00 0.00 C ATOM 718 C ARG A 46 -0.145 -1.922 -10.462 1.00 0.00 C ATOM 719 O ARG A 46 -1.233 -1.414 -10.724 1.00 0.00 O ATOM 720 CB ARG A 46 -0.041 -3.427 -12.478 1.00 0.00 C ATOM 721 CG ARG A 46 0.616 -2.333 -13.300 1.00 0.00 C ATOM 722 CD ARG A 46 0.840 -2.773 -14.734 1.00 0.00 C ATOM 723 NE ARG A 46 -0.368 -3.322 -15.353 1.00 0.00 N ATOM 724 CZ ARG A 46 -0.405 -3.821 -16.589 1.00 0.00 C ATOM 725 NH1 ARG A 46 0.692 -3.826 -17.340 1.00 0.00 N ATOM 726 NH2 ARG A 46 -1.537 -4.319 -17.071 1.00 0.00 N ATOM 0 H ARG A 46 -1.503 -4.372 -10.490 1.00 0.00 H new ATOM 0 HA ARG A 46 1.289 -3.459 -10.816 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.319 -4.396 -12.824 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.117 -3.405 -12.653 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.010 -1.441 -13.286 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.570 -2.061 -12.849 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.189 -1.923 -15.320 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.630 -3.524 -14.760 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.230 -3.323 -14.808 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.564 -3.448 -16.971 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.661 -4.208 -18.285 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.379 -4.320 -16.496 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.565 -4.701 -18.017 1.00 0.00 H new ATOM 740 N LEU A 47 0.775 -1.339 -9.719 1.00 0.00 N ATOM 741 CA LEU A 47 0.589 -0.046 -9.109 1.00 0.00 C ATOM 742 C LEU A 47 1.432 0.962 -9.863 1.00 0.00 C ATOM 743 O LEU A 47 2.663 0.947 -9.795 1.00 0.00 O ATOM 744 CB LEU A 47 0.973 -0.110 -7.621 1.00 0.00 C ATOM 745 CG LEU A 47 0.772 1.179 -6.810 1.00 0.00 C ATOM 746 CD1 LEU A 47 0.573 0.850 -5.338 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.965 2.109 -6.962 1.00 0.00 C ATOM 0 H LEU A 47 1.683 -1.759 -9.522 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.456 0.259 -9.161 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.392 -0.904 -7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.022 -0.399 -7.550 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.116 1.681 -7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.432 1.773 -4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.306 0.216 -5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.451 0.325 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.798 3.014 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.865 1.608 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.089 2.373 -8.012 1.00 0.00 H new ATOM 759 N THR A 48 0.767 1.801 -10.617 1.00 0.00 N ATOM 760 CA THR A 48 1.440 2.771 -11.442 1.00 0.00 C ATOM 761 C THR A 48 1.163 4.182 -10.948 1.00 0.00 C ATOM 762 O THR A 48 0.021 4.527 -10.658 1.00 0.00 O ATOM 763 CB THR A 48 0.992 2.621 -12.901 1.00 0.00 C ATOM 764 OG1 THR A 48 -0.435 2.499 -12.960 1.00 0.00 O ATOM 765 CG2 THR A 48 1.630 1.399 -13.541 1.00 0.00 C ATOM 0 H THR A 48 -0.251 1.831 -10.676 1.00 0.00 H new ATOM 0 HA THR A 48 2.514 2.592 -11.381 1.00 0.00 H new ATOM 0 HB THR A 48 1.310 3.508 -13.449 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.834 2.956 -12.190 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.297 1.314 -14.575 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.715 1.500 -13.516 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.336 0.505 -12.991 1.00 0.00 H new ATOM 773 N MET A 49 2.209 4.982 -10.840 1.00 0.00 N ATOM 774 CA MET A 49 2.079 6.352 -10.364 1.00 0.00 C ATOM 775 C MET A 49 2.707 7.320 -11.352 1.00 0.00 C ATOM 776 O MET A 49 3.569 6.940 -12.148 1.00 0.00 O ATOM 777 CB MET A 49 2.749 6.530 -8.998 1.00 0.00 C ATOM 778 CG MET A 49 2.075 5.778 -7.863 1.00 0.00 C ATOM 779 SD MET A 49 2.901 6.045 -6.280 1.00 0.00 S ATOM 780 CE MET A 49 1.887 5.050 -5.188 1.00 0.00 C ATOM 0 H MET A 49 3.162 4.707 -11.076 1.00 0.00 H new ATOM 0 HA MET A 49 1.014 6.564 -10.267 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.786 6.201 -9.070 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.768 7.592 -8.753 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.035 6.096 -7.786 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.066 4.712 -8.091 1.00 0.00 H new ATOM 0 HE1 MET A 49 1.688 5.604 -4.271 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.944 4.815 -5.681 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.411 4.125 -4.947 1.00 0.00 H new ATOM 790 N LYS A 50 2.283 8.570 -11.288 1.00 0.00 N ATOM 791 CA LYS A 50 2.859 9.605 -12.118 1.00 0.00 C ATOM 792 C LYS A 50 3.230 10.802 -11.262 1.00 0.00 C ATOM 793 O LYS A 50 2.382 11.627 -10.936 1.00 0.00 O ATOM 794 CB LYS A 50 1.890 10.048 -13.220 1.00 0.00 C ATOM 795 CG LYS A 50 2.572 10.814 -14.345 1.00 0.00 C ATOM 796 CD LYS A 50 1.572 11.539 -15.232 1.00 0.00 C ATOM 797 CE LYS A 50 2.147 11.835 -16.613 1.00 0.00 C ATOM 798 NZ LYS A 50 3.524 12.401 -16.555 1.00 0.00 N ATOM 0 H LYS A 50 1.540 8.890 -10.667 1.00 0.00 H new ATOM 0 HA LYS A 50 3.750 9.194 -12.593 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.395 9.170 -13.635 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.113 10.674 -12.782 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.269 11.536 -13.920 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.158 10.123 -14.950 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.672 10.933 -15.336 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.274 12.473 -14.755 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.161 10.917 -17.200 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.493 12.536 -17.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.846 12.630 -17.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.520 13.265 -15.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.169 11.703 -16.131 1.00 0.00 H new ATOM 812 N LEU A 51 4.480 10.867 -10.853 1.00 0.00 N ATOM 813 CA LEU A 51 4.979 12.033 -10.161 1.00 0.00 C ATOM 814 C LEU A 51 5.489 13.033 -11.186 1.00 0.00 C ATOM 815 O LEU A 51 6.600 12.920 -11.701 1.00 0.00 O ATOM 816 CB LEU A 51 6.063 11.660 -9.130 1.00 0.00 C ATOM 817 CG LEU A 51 7.317 10.966 -9.669 1.00 0.00 C ATOM 818 CD1 LEU A 51 8.520 11.893 -9.577 1.00 0.00 C ATOM 819 CD2 LEU A 51 7.578 9.685 -8.900 1.00 0.00 C ATOM 0 H LEU A 51 5.167 10.126 -10.988 1.00 0.00 H new ATOM 0 HA LEU A 51 4.168 12.491 -9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.372 12.571 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.610 11.010 -8.381 1.00 0.00 H new ATOM 0 HG LEU A 51 7.153 10.718 -10.718 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.402 11.384 -9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.333 12.792 -10.165 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.688 12.169 -8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.472 9.201 -9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.725 9.917 -7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.725 9.015 -9.009 1.00 0.00 H new ATOM 831 N ASP A 52 4.652 13.996 -11.514 1.00 0.00 N ATOM 832 CA ASP A 52 4.999 14.965 -12.537 1.00 0.00 C ATOM 833 C ASP A 52 5.506 16.219 -11.854 1.00 0.00 C ATOM 834 O ASP A 52 4.905 17.289 -11.928 1.00 0.00 O ATOM 835 CB ASP A 52 3.775 15.264 -13.405 1.00 0.00 C ATOM 836 CG ASP A 52 4.138 15.720 -14.802 1.00 0.00 C ATOM 837 OD1 ASP A 52 4.267 14.852 -15.693 1.00 0.00 O ATOM 838 OD2 ASP A 52 4.278 16.937 -15.023 1.00 0.00 O ATOM 0 H ASP A 52 3.733 14.130 -11.092 1.00 0.00 H new ATOM 0 HA ASP A 52 5.779 14.572 -13.189 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.155 14.370 -13.470 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.173 16.034 -12.922 1.00 0.00 H new ATOM 843 N GLY A 53 6.611 16.048 -11.156 1.00 0.00 N ATOM 844 CA GLY A 53 7.173 17.107 -10.361 1.00 0.00 C ATOM 845 C GLY A 53 7.802 16.551 -9.106 1.00 0.00 C ATOM 846 O GLY A 53 8.872 15.944 -9.153 1.00 0.00 O ATOM 0 H GLY A 53 7.137 15.175 -11.128 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.921 17.647 -10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.395 17.824 -10.098 1.00 0.00 H new ATOM 850 N ASP A 54 7.113 16.727 -7.986 1.00 0.00 N ATOM 851 CA ASP A 54 7.588 16.235 -6.697 1.00 0.00 C ATOM 852 C ASP A 54 6.419 15.717 -5.868 1.00 0.00 C ATOM 853 O ASP A 54 6.454 15.752 -4.639 1.00 0.00 O ATOM 854 CB ASP A 54 8.299 17.356 -5.924 1.00 0.00 C ATOM 855 CG ASP A 54 9.563 17.844 -6.604 1.00 0.00 C ATOM 856 OD1 ASP A 54 10.647 17.283 -6.329 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.486 18.799 -7.405 1.00 0.00 O ATOM 0 H ASP A 54 6.216 17.211 -7.944 1.00 0.00 H new ATOM 0 HA ASP A 54 8.292 15.423 -6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.614 18.195 -5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.547 16.998 -4.925 1.00 0.00 H new ATOM 862 N ILE A 55 5.395 15.201 -6.543 1.00 0.00 N ATOM 863 CA ILE A 55 4.152 14.862 -5.909 1.00 0.00 C ATOM 864 C ILE A 55 3.667 13.531 -6.440 1.00 0.00 C ATOM 865 O ILE A 55 4.060 13.098 -7.518 1.00 0.00 O ATOM 866 CB ILE A 55 3.050 15.927 -6.181 1.00 0.00 C ATOM 867 CG1 ILE A 55 2.432 15.784 -7.596 1.00 0.00 C ATOM 868 CG2 ILE A 55 3.591 17.333 -5.981 1.00 0.00 C ATOM 869 CD1 ILE A 55 3.424 15.754 -8.752 1.00 0.00 C ATOM 0 H ILE A 55 5.417 15.011 -7.545 1.00 0.00 H new ATOM 0 HA ILE A 55 4.333 14.817 -4.835 1.00 0.00 H new ATOM 0 HB ILE A 55 2.255 15.749 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.843 14.867 -7.624 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.741 16.612 -7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.801 18.058 -6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.940 17.446 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.420 17.505 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.883 15.651 -9.693 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.998 16.680 -8.763 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.101 14.909 -8.629 1.00 0.00 H new ATOM 881 N VAL A 56 2.840 12.889 -5.681 1.00 0.00 N ATOM 882 CA VAL A 56 2.090 11.753 -6.185 1.00 0.00 C ATOM 883 C VAL A 56 0.847 12.275 -6.902 1.00 0.00 C ATOM 884 O VAL A 56 -0.205 12.467 -6.292 1.00 0.00 O ATOM 885 CB VAL A 56 1.692 10.770 -5.063 1.00 0.00 C ATOM 886 CG1 VAL A 56 0.987 9.546 -5.636 1.00 0.00 C ATOM 887 CG2 VAL A 56 2.916 10.354 -4.258 1.00 0.00 C ATOM 0 H VAL A 56 2.657 13.122 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 56 2.724 11.196 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 56 0.997 11.280 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.717 8.869 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.086 9.859 -6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.654 9.034 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.616 9.661 -3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.636 9.867 -4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.373 11.236 -3.809 1.00 0.00 H new ATOM 897 N GLU A 57 0.991 12.550 -8.191 1.00 0.00 N ATOM 898 CA GLU A 57 -0.071 13.187 -8.955 1.00 0.00 C ATOM 899 C GLU A 57 -1.166 12.185 -9.268 1.00 0.00 C ATOM 900 O GLU A 57 -2.328 12.377 -8.907 1.00 0.00 O ATOM 901 CB GLU A 57 0.495 13.782 -10.248 1.00 0.00 C ATOM 902 CG GLU A 57 -0.543 14.441 -11.144 1.00 0.00 C ATOM 903 CD GLU A 57 -1.200 15.640 -10.497 1.00 0.00 C ATOM 904 OE1 GLU A 57 -0.566 16.715 -10.447 1.00 0.00 O ATOM 905 OE2 GLU A 57 -2.356 15.521 -10.051 1.00 0.00 O ATOM 0 H GLU A 57 1.832 12.342 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.499 13.993 -8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.256 14.519 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.993 12.992 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.068 14.751 -12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.308 13.710 -11.404 1.00 0.00 H new ATOM 912 N ASP A 58 -0.789 11.102 -9.920 1.00 0.00 N ATOM 913 CA ASP A 58 -1.756 10.088 -10.292 1.00 0.00 C ATOM 914 C ASP A 58 -1.237 8.715 -9.900 1.00 0.00 C ATOM 915 O ASP A 58 -0.029 8.507 -9.806 1.00 0.00 O ATOM 916 CB ASP A 58 -2.043 10.157 -11.793 1.00 0.00 C ATOM 917 CG ASP A 58 -3.302 9.408 -12.190 1.00 0.00 C ATOM 918 OD1 ASP A 58 -3.991 8.869 -11.302 1.00 0.00 O ATOM 919 OD2 ASP A 58 -3.618 9.371 -13.398 1.00 0.00 O ATOM 0 H ASP A 58 0.171 10.903 -10.201 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.690 10.269 -9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.138 11.201 -12.092 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.194 9.745 -12.339 1.00 0.00 H new ATOM 924 N ALA A 59 -2.155 7.798 -9.658 1.00 0.00 N ATOM 925 CA ALA A 59 -1.820 6.455 -9.228 1.00 0.00 C ATOM 926 C ALA A 59 -2.948 5.506 -9.595 1.00 0.00 C ATOM 927 O ALA A 59 -4.117 5.792 -9.330 1.00 0.00 O ATOM 928 CB ALA A 59 -1.559 6.424 -7.731 1.00 0.00 C ATOM 0 H ALA A 59 -3.157 7.965 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.910 6.135 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.309 5.408 -7.426 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.729 7.089 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.452 6.753 -7.199 1.00 0.00 H new ATOM 934 N LYS A 60 -2.606 4.389 -10.214 1.00 0.00 N ATOM 935 CA LYS A 60 -3.597 3.441 -10.679 1.00 0.00 C ATOM 936 C LYS A 60 -3.105 2.030 -10.434 1.00 0.00 C ATOM 937 O LYS A 60 -1.935 1.725 -10.670 1.00 0.00 O ATOM 938 CB LYS A 60 -3.906 3.680 -12.161 1.00 0.00 C ATOM 939 CG LYS A 60 -4.782 4.900 -12.396 1.00 0.00 C ATOM 940 CD LYS A 60 -4.856 5.286 -13.862 1.00 0.00 C ATOM 941 CE LYS A 60 -5.901 6.372 -14.099 1.00 0.00 C ATOM 942 NZ LYS A 60 -5.692 7.570 -13.236 1.00 0.00 N ATOM 0 H LYS A 60 -1.642 4.118 -10.406 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.524 3.580 -10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.970 3.801 -12.707 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.402 2.799 -12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.787 4.699 -12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.392 5.740 -11.821 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.880 5.638 -14.197 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.100 4.408 -14.459 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.874 6.674 -15.146 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.894 5.963 -13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.448 8.262 -13.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.711 7.285 -12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.771 8.000 -13.456 1.00 0.00 H new ATOM 956 N PHE A 61 -3.990 1.185 -9.939 1.00 0.00 N ATOM 957 CA PHE A 61 -3.608 -0.144 -9.500 1.00 0.00 C ATOM 958 C PHE A 61 -4.544 -1.213 -10.050 1.00 0.00 C ATOM 959 O PHE A 61 -5.687 -1.334 -9.626 1.00 0.00 O ATOM 960 CB PHE A 61 -3.566 -0.200 -7.966 1.00 0.00 C ATOM 961 CG PHE A 61 -4.549 0.723 -7.293 1.00 0.00 C ATOM 962 CD1 PHE A 61 -5.881 0.365 -7.150 1.00 0.00 C ATOM 963 CD2 PHE A 61 -4.140 1.956 -6.810 1.00 0.00 C ATOM 964 CE1 PHE A 61 -6.782 1.217 -6.543 1.00 0.00 C ATOM 965 CE2 PHE A 61 -5.037 2.812 -6.201 1.00 0.00 C ATOM 966 CZ PHE A 61 -6.359 2.442 -6.066 1.00 0.00 C ATOM 0 H PHE A 61 -4.982 1.397 -9.831 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.613 -0.352 -9.893 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.764 -1.222 -7.644 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.560 0.050 -7.631 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.218 -0.593 -7.518 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.106 2.252 -6.911 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.817 0.926 -6.441 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.704 3.770 -5.831 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.062 3.109 -5.588 1.00 0.00 H new ATOM 976 N GLU A 62 -4.051 -1.965 -11.015 1.00 0.00 N ATOM 977 CA GLU A 62 -4.764 -3.119 -11.538 1.00 0.00 C ATOM 978 C GLU A 62 -4.258 -4.369 -10.831 1.00 0.00 C ATOM 979 O GLU A 62 -3.094 -4.736 -10.983 1.00 0.00 O ATOM 980 CB GLU A 62 -4.533 -3.235 -13.046 1.00 0.00 C ATOM 981 CG GLU A 62 -5.144 -4.478 -13.667 1.00 0.00 C ATOM 982 CD GLU A 62 -4.662 -4.718 -15.084 1.00 0.00 C ATOM 983 OE1 GLU A 62 -3.431 -4.735 -15.301 1.00 0.00 O ATOM 984 OE2 GLU A 62 -5.506 -4.936 -15.975 1.00 0.00 O ATOM 0 H GLU A 62 -3.148 -1.796 -11.459 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.833 -3.006 -11.361 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.948 -2.354 -13.536 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.461 -3.233 -13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.900 -5.344 -13.052 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.230 -4.383 -13.668 1.00 0.00 H new ATOM 991 N GLY A 63 -5.112 -5.020 -10.053 1.00 0.00 N ATOM 992 CA GLY A 63 -4.633 -6.121 -9.247 1.00 0.00 C ATOM 993 C GLY A 63 -5.669 -7.189 -8.960 1.00 0.00 C ATOM 994 O GLY A 63 -6.865 -6.913 -8.892 1.00 0.00 O ATOM 0 H GLY A 63 -6.107 -4.811 -9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.785 -6.582 -9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.264 -5.727 -8.300 1.00 0.00 H new ATOM 998 N GLU A 64 -5.181 -8.414 -8.785 1.00 0.00 N ATOM 999 CA GLU A 64 -5.992 -9.541 -8.362 1.00 0.00 C ATOM 1000 C GLU A 64 -5.193 -10.351 -7.342 1.00 0.00 C ATOM 1001 O GLU A 64 -3.972 -10.481 -7.465 1.00 0.00 O ATOM 1002 CB GLU A 64 -6.389 -10.402 -9.568 1.00 0.00 C ATOM 1003 CG GLU A 64 -7.208 -11.637 -9.212 1.00 0.00 C ATOM 1004 CD GLU A 64 -8.472 -11.316 -8.437 1.00 0.00 C ATOM 1005 OE1 GLU A 64 -8.409 -11.249 -7.190 1.00 0.00 O ATOM 1006 OE2 GLU A 64 -9.540 -11.151 -9.062 1.00 0.00 O ATOM 0 H GLU A 64 -4.200 -8.650 -8.936 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.915 -9.188 -7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.961 -9.789 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.485 -10.717 -10.088 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.476 -12.163 -10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.591 -12.316 -8.623 1.00 0.00 H new ATOM 1013 N GLY A 65 -5.874 -10.873 -6.336 1.00 0.00 N ATOM 1014 CA GLY A 65 -5.197 -11.525 -5.236 1.00 0.00 C ATOM 1015 C GLY A 65 -6.135 -11.800 -4.080 1.00 0.00 C ATOM 1016 O GLY A 65 -7.227 -12.324 -4.273 1.00 0.00 O ATOM 0 H GLY A 65 -6.891 -10.857 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.762 -12.463 -5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.373 -10.899 -4.894 1.00 0.00 H new ATOM 1020 N CYS A 66 -5.708 -11.449 -2.874 1.00 0.00 N ATOM 1021 CA CYS A 66 -6.536 -11.654 -1.694 1.00 0.00 C ATOM 1022 C CYS A 66 -7.325 -10.396 -1.393 1.00 0.00 C ATOM 1023 O CYS A 66 -6.942 -9.301 -1.813 1.00 0.00 O ATOM 1024 CB CYS A 66 -5.694 -12.035 -0.469 1.00 0.00 C ATOM 1025 SG CYS A 66 -5.198 -13.775 -0.401 1.00 0.00 S ATOM 0 H CYS A 66 -4.800 -11.024 -2.688 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.217 -12.478 -1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.797 -11.415 -0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.260 -11.798 0.432 1.00 0.00 H new ATOM 1031 N SER A 67 -8.404 -10.562 -0.646 1.00 0.00 N ATOM 1032 CA SER A 67 -9.258 -9.456 -0.263 1.00 0.00 C ATOM 1033 C SER A 67 -8.465 -8.382 0.473 1.00 0.00 C ATOM 1034 O SER A 67 -8.660 -7.196 0.241 1.00 0.00 O ATOM 1035 CB SER A 67 -10.389 -9.980 0.615 1.00 0.00 C ATOM 1036 OG SER A 67 -9.894 -10.923 1.553 1.00 0.00 O ATOM 0 H SER A 67 -8.710 -11.467 -0.290 1.00 0.00 H new ATOM 0 HA SER A 67 -9.674 -9.001 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.864 -9.151 1.140 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.155 -10.444 -0.007 1.00 0.00 H new ATOM 0 HG SER A 67 -9.881 -10.520 2.446 1.00 0.00 H new ATOM 1042 N ILE A 68 -7.541 -8.812 1.327 1.00 0.00 N ATOM 1043 CA ILE A 68 -6.769 -7.886 2.153 1.00 0.00 C ATOM 1044 C ILE A 68 -5.738 -7.130 1.316 1.00 0.00 C ATOM 1045 O ILE A 68 -5.458 -5.958 1.566 1.00 0.00 O ATOM 1046 CB ILE A 68 -6.093 -8.614 3.364 1.00 0.00 C ATOM 1047 CG1 ILE A 68 -4.562 -8.414 3.407 1.00 0.00 C ATOM 1048 CG2 ILE A 68 -6.427 -10.102 3.353 1.00 0.00 C ATOM 1049 CD1 ILE A 68 -3.772 -9.363 2.522 1.00 0.00 C ATOM 0 H ILE A 68 -7.308 -9.795 1.466 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.467 -7.157 2.564 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.501 -8.157 4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.335 -7.390 3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.223 -8.532 4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.948 -10.589 4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.507 -10.233 3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.065 -10.549 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.708 -9.148 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.964 -10.391 2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.077 -9.231 1.484 1.00 0.00 H new ATOM 1061 N SER A 69 -5.220 -7.792 0.292 1.00 0.00 N ATOM 1062 CA SER A 69 -4.127 -7.249 -0.502 1.00 0.00 C ATOM 1063 C SER A 69 -4.601 -6.050 -1.298 1.00 0.00 C ATOM 1064 O SER A 69 -4.062 -4.949 -1.193 1.00 0.00 O ATOM 1065 CB SER A 69 -3.615 -8.333 -1.442 1.00 0.00 C ATOM 1066 OG SER A 69 -3.634 -9.581 -0.778 1.00 0.00 O ATOM 0 H SER A 69 -5.541 -8.712 -0.010 1.00 0.00 H new ATOM 0 HA SER A 69 -3.323 -6.925 0.158 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.236 -8.376 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.602 -8.098 -1.768 1.00 0.00 H new ATOM 0 HG SER A 69 -3.367 -10.288 -1.402 1.00 0.00 H new ATOM 1072 N MET A 70 -5.649 -6.271 -2.062 1.00 0.00 N ATOM 1073 CA MET A 70 -6.191 -5.237 -2.920 1.00 0.00 C ATOM 1074 C MET A 70 -7.031 -4.256 -2.112 1.00 0.00 C ATOM 1075 O MET A 70 -7.497 -3.245 -2.637 1.00 0.00 O ATOM 1076 CB MET A 70 -7.005 -5.866 -4.052 1.00 0.00 C ATOM 1077 CG MET A 70 -6.188 -6.857 -4.869 1.00 0.00 C ATOM 1078 SD MET A 70 -4.643 -6.137 -5.463 1.00 0.00 S ATOM 1079 CE MET A 70 -3.708 -7.611 -5.862 1.00 0.00 C ATOM 0 H MET A 70 -6.145 -7.161 -2.107 1.00 0.00 H new ATOM 0 HA MET A 70 -5.367 -4.678 -3.364 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.874 -6.373 -3.633 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.380 -5.080 -4.707 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.968 -7.734 -4.260 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.778 -7.199 -5.719 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.788 -7.627 -5.278 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.303 -8.494 -5.627 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.464 -7.611 -6.924 1.00 0.00 H new ATOM 1089 N ALA A 71 -7.212 -4.556 -0.830 1.00 0.00 N ATOM 1090 CA ALA A 71 -7.924 -3.654 0.062 1.00 0.00 C ATOM 1091 C ALA A 71 -6.974 -2.626 0.657 1.00 0.00 C ATOM 1092 O ALA A 71 -7.228 -1.424 0.603 1.00 0.00 O ATOM 1093 CB ALA A 71 -8.618 -4.425 1.170 1.00 0.00 C ATOM 0 H ALA A 71 -6.877 -5.413 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.681 -3.133 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.143 -3.729 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.333 -5.124 0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.877 -4.977 1.748 1.00 0.00 H new ATOM 1099 N SER A 72 -5.868 -3.109 1.204 1.00 0.00 N ATOM 1100 CA SER A 72 -4.928 -2.250 1.908 1.00 0.00 C ATOM 1101 C SER A 72 -4.143 -1.373 0.935 1.00 0.00 C ATOM 1102 O SER A 72 -4.030 -0.163 1.132 1.00 0.00 O ATOM 1103 CB SER A 72 -3.978 -3.100 2.753 1.00 0.00 C ATOM 1104 OG SER A 72 -3.417 -4.148 1.982 1.00 0.00 O ATOM 0 H SER A 72 -5.600 -4.093 1.174 1.00 0.00 H new ATOM 0 HA SER A 72 -5.493 -1.589 2.565 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.182 -2.473 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.516 -3.517 3.604 1.00 0.00 H new ATOM 0 HG SER A 72 -4.055 -4.890 1.925 1.00 0.00 H new ATOM 1110 N ALA A 73 -3.621 -1.987 -0.123 1.00 0.00 N ATOM 1111 CA ALA A 73 -2.820 -1.278 -1.111 1.00 0.00 C ATOM 1112 C ALA A 73 -3.587 -0.105 -1.706 1.00 0.00 C ATOM 1113 O ALA A 73 -3.057 0.998 -1.814 1.00 0.00 O ATOM 1114 CB ALA A 73 -2.372 -2.230 -2.211 1.00 0.00 C ATOM 0 H ALA A 73 -3.741 -2.981 -0.317 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.939 -0.881 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.774 -1.686 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.774 -3.031 -1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.247 -2.656 -2.702 1.00 0.00 H new ATOM 1120 N SER A 74 -4.845 -0.336 -2.060 1.00 0.00 N ATOM 1121 CA SER A 74 -5.657 0.696 -2.690 1.00 0.00 C ATOM 1122 C SER A 74 -5.968 1.829 -1.711 1.00 0.00 C ATOM 1123 O SER A 74 -6.088 2.988 -2.110 1.00 0.00 O ATOM 1124 CB SER A 74 -6.948 0.086 -3.242 1.00 0.00 C ATOM 1125 OG SER A 74 -7.650 -0.626 -2.239 1.00 0.00 O ATOM 0 H SER A 74 -5.324 -1.226 -1.922 1.00 0.00 H new ATOM 0 HA SER A 74 -5.089 1.121 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.584 0.876 -3.643 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.712 -0.584 -4.069 1.00 0.00 H new ATOM 0 HG SER A 74 -7.799 -1.548 -2.536 1.00 0.00 H new ATOM 1131 N MET A 75 -6.066 1.496 -0.428 1.00 0.00 N ATOM 1132 CA MET A 75 -6.357 2.493 0.592 1.00 0.00 C ATOM 1133 C MET A 75 -5.104 3.319 0.844 1.00 0.00 C ATOM 1134 O MET A 75 -5.142 4.552 0.844 1.00 0.00 O ATOM 1135 CB MET A 75 -6.827 1.817 1.890 1.00 0.00 C ATOM 1136 CG MET A 75 -7.668 2.712 2.798 1.00 0.00 C ATOM 1137 SD MET A 75 -6.796 4.177 3.388 1.00 0.00 S ATOM 1138 CE MET A 75 -8.067 4.943 4.395 1.00 0.00 C ATOM 0 H MET A 75 -5.949 0.547 -0.072 1.00 0.00 H new ATOM 0 HA MET A 75 -7.160 3.144 0.246 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.408 0.931 1.634 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.953 1.476 2.445 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.561 3.026 2.257 1.00 0.00 H new ATOM 0 HG3 MET A 75 -8.003 2.130 3.656 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.680 5.864 4.831 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.934 5.171 3.775 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.361 4.260 5.192 1.00 0.00 H new ATOM 1148 N MET A 76 -3.982 2.628 1.004 1.00 0.00 N ATOM 1149 CA MET A 76 -2.708 3.290 1.249 1.00 0.00 C ATOM 1150 C MET A 76 -2.330 4.187 0.074 1.00 0.00 C ATOM 1151 O MET A 76 -1.766 5.259 0.263 1.00 0.00 O ATOM 1152 CB MET A 76 -1.601 2.262 1.499 1.00 0.00 C ATOM 1153 CG MET A 76 -1.823 1.403 2.733 1.00 0.00 C ATOM 1154 SD MET A 76 -1.954 2.368 4.250 1.00 0.00 S ATOM 1155 CE MET A 76 -0.333 3.131 4.327 1.00 0.00 C ATOM 0 H MET A 76 -3.929 1.610 0.968 1.00 0.00 H new ATOM 0 HA MET A 76 -2.818 3.908 2.140 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.518 1.613 0.627 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.650 2.785 1.599 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.733 0.817 2.602 1.00 0.00 H new ATOM 0 HG3 MET A 76 -0.999 0.695 2.829 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.175 3.551 5.321 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.432 2.381 4.124 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.269 3.925 3.583 1.00 0.00 H new ATOM 1165 N THR A 77 -2.660 3.747 -1.134 1.00 0.00 N ATOM 1166 CA THR A 77 -2.369 4.524 -2.334 1.00 0.00 C ATOM 1167 C THR A 77 -3.282 5.752 -2.430 1.00 0.00 C ATOM 1168 O THR A 77 -2.933 6.755 -3.051 1.00 0.00 O ATOM 1169 CB THR A 77 -2.518 3.658 -3.603 1.00 0.00 C ATOM 1170 OG1 THR A 77 -1.726 2.472 -3.478 1.00 0.00 O ATOM 1171 CG2 THR A 77 -2.088 4.415 -4.851 1.00 0.00 C ATOM 0 H THR A 77 -3.128 2.858 -1.309 1.00 0.00 H new ATOM 0 HA THR A 77 -1.336 4.863 -2.262 1.00 0.00 H new ATOM 0 HB THR A 77 -3.572 3.398 -3.704 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.260 1.765 -3.059 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.207 3.774 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.706 5.305 -4.968 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.043 4.709 -4.756 1.00 0.00 H new ATOM 1179 N GLN A 78 -4.439 5.681 -1.786 1.00 0.00 N ATOM 1180 CA GLN A 78 -5.372 6.800 -1.773 1.00 0.00 C ATOM 1181 C GLN A 78 -4.801 7.902 -0.893 1.00 0.00 C ATOM 1182 O GLN A 78 -4.758 9.071 -1.280 1.00 0.00 O ATOM 1183 CB GLN A 78 -6.746 6.332 -1.267 1.00 0.00 C ATOM 1184 CG GLN A 78 -7.854 7.381 -1.324 1.00 0.00 C ATOM 1185 CD GLN A 78 -7.884 8.301 -0.115 1.00 0.00 C ATOM 1186 OE1 GLN A 78 -7.302 9.385 -0.123 1.00 0.00 O ATOM 1187 NE2 GLN A 78 -8.564 7.869 0.934 1.00 0.00 N ATOM 0 H GLN A 78 -4.754 4.862 -1.266 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.509 7.191 -2.781 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.056 5.468 -1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.640 5.995 -0.236 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.728 7.982 -2.224 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.816 6.876 -1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.033 6.964 0.900 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.620 8.441 1.777 1.00 0.00 H new ATOM 1196 N ALA A 79 -4.330 7.508 0.281 1.00 0.00 N ATOM 1197 CA ALA A 79 -3.697 8.439 1.201 1.00 0.00 C ATOM 1198 C ALA A 79 -2.347 8.887 0.657 1.00 0.00 C ATOM 1199 O ALA A 79 -1.894 9.997 0.930 1.00 0.00 O ATOM 1200 CB ALA A 79 -3.535 7.798 2.570 1.00 0.00 C ATOM 0 H ALA A 79 -4.375 6.547 0.619 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.335 9.317 1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.060 8.506 3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.514 7.522 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.914 6.906 2.483 1.00 0.00 H new ATOM 1206 N ILE A 80 -1.713 8.020 -0.126 1.00 0.00 N ATOM 1207 CA ILE A 80 -0.410 8.326 -0.707 1.00 0.00 C ATOM 1208 C ILE A 80 -0.560 9.319 -1.862 1.00 0.00 C ATOM 1209 O ILE A 80 0.346 10.103 -2.143 1.00 0.00 O ATOM 1210 CB ILE A 80 0.314 7.030 -1.174 1.00 0.00 C ATOM 1211 CG1 ILE A 80 1.758 6.999 -0.658 1.00 0.00 C ATOM 1212 CG2 ILE A 80 0.292 6.882 -2.688 1.00 0.00 C ATOM 1213 CD1 ILE A 80 2.629 8.120 -1.185 1.00 0.00 C ATOM 0 H ILE A 80 -2.080 7.101 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 80 0.207 8.788 0.064 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.231 6.186 -0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.744 7.046 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.209 6.045 -0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.808 5.965 -2.971 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.741 6.840 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.793 7.736 -3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.633 8.025 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.677 8.063 -2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.205 9.080 -0.890 1.00 0.00 H new ATOM 1225 N LYS A 81 -1.724 9.297 -2.508 1.00 0.00 N ATOM 1226 CA LYS A 81 -2.024 10.234 -3.584 1.00 0.00 C ATOM 1227 C LYS A 81 -2.000 11.667 -3.061 1.00 0.00 C ATOM 1228 O LYS A 81 -1.675 12.608 -3.787 1.00 0.00 O ATOM 1229 CB LYS A 81 -3.389 9.914 -4.204 1.00 0.00 C ATOM 1230 CG LYS A 81 -3.833 10.920 -5.254 1.00 0.00 C ATOM 1231 CD LYS A 81 -5.198 10.574 -5.829 1.00 0.00 C ATOM 1232 CE LYS A 81 -5.763 11.727 -6.646 1.00 0.00 C ATOM 1233 NZ LYS A 81 -4.873 12.110 -7.773 1.00 0.00 N ATOM 0 H LYS A 81 -2.475 8.638 -2.303 1.00 0.00 H new ATOM 0 HA LYS A 81 -1.261 10.134 -4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.350 8.923 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.137 9.874 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.867 11.916 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.098 10.954 -6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.116 9.687 -6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.885 10.329 -5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.741 11.447 -7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.915 12.589 -5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.308 12.887 -8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.953 12.419 -7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.735 11.292 -8.400 1.00 0.00 H new ATOM 1247 N GLY A 82 -2.317 11.822 -1.785 1.00 0.00 N ATOM 1248 CA GLY A 82 -2.290 13.128 -1.168 1.00 0.00 C ATOM 1249 C GLY A 82 -0.988 13.375 -0.442 1.00 0.00 C ATOM 1250 O GLY A 82 -0.969 13.985 0.629 1.00 0.00 O ATOM 0 H GLY A 82 -2.594 11.061 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.433 13.894 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.120 13.217 -0.467 1.00 0.00 H new ATOM 1254 N LYS A 83 0.101 12.872 -1.008 1.00 0.00 N ATOM 1255 CA LYS A 83 1.420 13.054 -0.428 1.00 0.00 C ATOM 1256 C LYS A 83 2.411 13.447 -1.511 1.00 0.00 C ATOM 1257 O LYS A 83 2.075 13.461 -2.701 1.00 0.00 O ATOM 1258 CB LYS A 83 1.885 11.776 0.284 1.00 0.00 C ATOM 1259 CG LYS A 83 0.995 11.374 1.449 1.00 0.00 C ATOM 1260 CD LYS A 83 1.479 10.099 2.115 1.00 0.00 C ATOM 1261 CE LYS A 83 0.557 9.675 3.249 1.00 0.00 C ATOM 1262 NZ LYS A 83 0.455 10.713 4.310 1.00 0.00 N ATOM 0 H LYS A 83 0.094 12.332 -1.873 1.00 0.00 H new ATOM 0 HA LYS A 83 1.367 13.852 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.918 10.959 -0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.902 11.921 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.970 12.180 2.182 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.026 11.234 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.538 9.301 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.487 10.250 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.436 9.468 2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.925 8.747 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.011 10.309 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.408 11.040 4.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.103 11.517 3.957 1.00 0.00 H new ATOM 1276 N ASP A 84 3.623 13.763 -1.101 1.00 0.00 N ATOM 1277 CA ASP A 84 4.672 14.110 -2.011 1.00 0.00 C ATOM 1278 C ASP A 84 5.780 13.113 -1.793 1.00 0.00 C ATOM 1279 O ASP A 84 5.568 12.073 -1.180 1.00 0.00 O ATOM 1280 CB ASP A 84 5.179 15.534 -1.743 1.00 0.00 C ATOM 1281 CG ASP A 84 4.067 16.566 -1.704 1.00 0.00 C ATOM 1282 OD1 ASP A 84 3.300 16.664 -2.680 1.00 0.00 O ATOM 1283 OD2 ASP A 84 3.947 17.281 -0.682 1.00 0.00 O ATOM 0 H ASP A 84 3.900 13.783 -0.119 1.00 0.00 H new ATOM 0 HA ASP A 84 4.313 14.085 -3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.714 15.550 -0.794 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.895 15.810 -2.517 1.00 0.00 H new ATOM 1288 N ILE A 85 6.955 13.436 -2.251 1.00 0.00 N ATOM 1289 CA ILE A 85 8.096 12.553 -2.075 1.00 0.00 C ATOM 1290 C ILE A 85 8.707 12.791 -0.700 1.00 0.00 C ATOM 1291 O ILE A 85 9.104 11.854 -0.007 1.00 0.00 O ATOM 1292 CB ILE A 85 9.148 12.746 -3.200 1.00 0.00 C ATOM 1293 CG1 ILE A 85 8.726 11.992 -4.471 1.00 0.00 C ATOM 1294 CG2 ILE A 85 10.529 12.283 -2.752 1.00 0.00 C ATOM 1295 CD1 ILE A 85 7.365 12.383 -5.009 1.00 0.00 C ATOM 0 H ILE A 85 7.159 14.302 -2.750 1.00 0.00 H new ATOM 0 HA ILE A 85 7.754 11.520 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 85 9.201 13.812 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.473 12.165 -5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.726 10.922 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 85 11.243 12.431 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.842 12.861 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.491 11.225 -2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.148 11.803 -5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.604 12.183 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.362 13.445 -5.255 1.00 0.00 H new ATOM 1307 N GLU A 86 8.722 14.052 -0.295 1.00 0.00 N ATOM 1308 CA GLU A 86 9.241 14.449 1.005 1.00 0.00 C ATOM 1309 C GLU A 86 8.477 13.744 2.125 1.00 0.00 C ATOM 1310 O GLU A 86 9.070 13.193 3.058 1.00 0.00 O ATOM 1311 CB GLU A 86 9.115 15.967 1.159 1.00 0.00 C ATOM 1312 CG GLU A 86 9.925 16.538 2.306 1.00 0.00 C ATOM 1313 CD GLU A 86 11.408 16.276 2.141 1.00 0.00 C ATOM 1314 OE1 GLU A 86 12.017 16.856 1.217 1.00 0.00 O ATOM 1315 OE2 GLU A 86 11.965 15.477 2.918 1.00 0.00 O ATOM 0 H GLU A 86 8.375 14.828 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 86 10.290 14.161 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.431 16.444 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.065 16.221 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.752 17.612 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.582 16.102 3.244 1.00 0.00 H new ATOM 1322 N THR A 87 7.158 13.747 2.012 1.00 0.00 N ATOM 1323 CA THR A 87 6.301 13.158 3.026 1.00 0.00 C ATOM 1324 C THR A 87 6.195 11.643 2.867 1.00 0.00 C ATOM 1325 O THR A 87 5.831 10.940 3.809 1.00 0.00 O ATOM 1326 CB THR A 87 4.897 13.789 3.002 1.00 0.00 C ATOM 1327 OG1 THR A 87 4.455 13.957 1.647 1.00 0.00 O ATOM 1328 CG2 THR A 87 4.905 15.136 3.710 1.00 0.00 C ATOM 0 H THR A 87 6.656 14.154 1.223 1.00 0.00 H new ATOM 0 HA THR A 87 6.763 13.367 3.991 1.00 0.00 H new ATOM 0 HB THR A 87 4.211 13.122 3.524 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.638 14.498 1.634 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.904 15.567 3.683 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.214 15.000 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.603 15.807 3.208 1.00 0.00 H new ATOM 1336 N ALA A 88 6.526 11.142 1.682 1.00 0.00 N ATOM 1337 CA ALA A 88 6.465 9.710 1.413 1.00 0.00 C ATOM 1338 C ALA A 88 7.614 8.989 2.098 1.00 0.00 C ATOM 1339 O ALA A 88 7.439 7.906 2.664 1.00 0.00 O ATOM 1340 CB ALA A 88 6.492 9.441 -0.080 1.00 0.00 C ATOM 0 H ALA A 88 6.839 11.706 0.892 1.00 0.00 H new ATOM 0 HA ALA A 88 5.526 9.330 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.446 8.366 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.636 9.924 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.413 9.839 -0.505 1.00 0.00 H new ATOM 1346 N LEU A 89 8.791 9.603 2.059 1.00 0.00 N ATOM 1347 CA LEU A 89 9.951 9.060 2.743 1.00 0.00 C ATOM 1348 C LEU A 89 9.690 9.035 4.237 1.00 0.00 C ATOM 1349 O LEU A 89 9.897 8.018 4.897 1.00 0.00 O ATOM 1350 CB LEU A 89 11.214 9.877 2.435 1.00 0.00 C ATOM 1351 CG LEU A 89 12.011 9.437 1.196 1.00 0.00 C ATOM 1352 CD1 LEU A 89 12.505 8.007 1.358 1.00 0.00 C ATOM 1353 CD2 LEU A 89 11.179 9.566 -0.069 1.00 0.00 C ATOM 0 H LEU A 89 8.964 10.476 1.561 1.00 0.00 H new ATOM 0 HA LEU A 89 10.120 8.044 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.926 10.920 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.873 9.832 3.302 1.00 0.00 H new ATOM 0 HG LEU A 89 12.873 10.098 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.067 7.713 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 89 13.150 7.942 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.652 7.340 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.770 9.247 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.292 8.938 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.877 10.605 -0.202 1.00 0.00 H new ATOM 1365 N SER A 90 9.174 10.141 4.752 1.00 0.00 N ATOM 1366 CA SER A 90 8.880 10.253 6.174 1.00 0.00 C ATOM 1367 C SER A 90 7.735 9.321 6.576 1.00 0.00 C ATOM 1368 O SER A 90 7.678 8.849 7.713 1.00 0.00 O ATOM 1369 CB SER A 90 8.556 11.704 6.531 1.00 0.00 C ATOM 1370 OG SER A 90 9.667 12.542 6.258 1.00 0.00 O ATOM 0 H SER A 90 8.950 10.974 4.207 1.00 0.00 H new ATOM 0 HA SER A 90 9.764 9.947 6.734 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.690 12.041 5.961 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.290 11.775 7.586 1.00 0.00 H new ATOM 0 HG SER A 90 9.630 12.842 5.326 1.00 0.00 H new ATOM 1376 N MET A 91 6.838 9.041 5.631 1.00 0.00 N ATOM 1377 CA MET A 91 5.750 8.086 5.848 1.00 0.00 C ATOM 1378 C MET A 91 6.315 6.680 6.033 1.00 0.00 C ATOM 1379 O MET A 91 5.772 5.872 6.775 1.00 0.00 O ATOM 1380 CB MET A 91 4.786 8.094 4.659 1.00 0.00 C ATOM 1381 CG MET A 91 3.636 7.107 4.793 1.00 0.00 C ATOM 1382 SD MET A 91 2.714 6.909 3.257 1.00 0.00 S ATOM 1383 CE MET A 91 3.993 6.260 2.183 1.00 0.00 C ATOM 0 H MET A 91 6.843 9.464 4.703 1.00 0.00 H new ATOM 0 HA MET A 91 5.209 8.381 6.747 1.00 0.00 H new ATOM 0 HB2 MET A 91 4.379 9.098 4.541 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.343 7.867 3.750 1.00 0.00 H new ATOM 0 HG2 MET A 91 4.027 6.139 5.106 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.960 7.446 5.578 1.00 0.00 H new ATOM 0 HE1 MET A 91 3.539 5.640 1.410 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.530 7.086 1.716 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.689 5.659 2.768 1.00 0.00 H new ATOM 1393 N SER A 92 7.418 6.413 5.358 1.00 0.00 N ATOM 1394 CA SER A 92 8.082 5.130 5.434 1.00 0.00 C ATOM 1395 C SER A 92 9.021 5.122 6.626 1.00 0.00 C ATOM 1396 O SER A 92 9.291 4.075 7.210 1.00 0.00 O ATOM 1397 CB SER A 92 8.846 4.859 4.139 1.00 0.00 C ATOM 1398 OG SER A 92 9.523 3.616 4.179 1.00 0.00 O ATOM 0 H SER A 92 7.877 7.083 4.741 1.00 0.00 H new ATOM 0 HA SER A 92 7.342 4.340 5.563 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.152 4.868 3.299 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.565 5.660 3.967 1.00 0.00 H new ATOM 0 HG SER A 92 9.865 3.401 3.286 1.00 0.00 H new ATOM 1404 N LYS A 93 9.507 6.305 6.984 1.00 0.00 N ATOM 1405 CA LYS A 93 10.329 6.464 8.167 1.00 0.00 C ATOM 1406 C LYS A 93 9.519 6.031 9.378 1.00 0.00 C ATOM 1407 O LYS A 93 9.966 5.218 10.184 1.00 0.00 O ATOM 1408 CB LYS A 93 10.773 7.927 8.307 1.00 0.00 C ATOM 1409 CG LYS A 93 12.098 8.119 9.035 1.00 0.00 C ATOM 1410 CD LYS A 93 12.034 7.675 10.488 1.00 0.00 C ATOM 1411 CE LYS A 93 13.373 7.854 11.184 1.00 0.00 C ATOM 1412 NZ LYS A 93 13.817 9.272 11.177 1.00 0.00 N ATOM 0 H LYS A 93 9.342 7.168 6.466 1.00 0.00 H new ATOM 0 HA LYS A 93 11.224 5.847 8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.853 8.366 7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.998 8.479 8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.877 7.556 8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.384 9.170 8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.271 8.250 11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.734 6.628 10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.297 7.503 12.213 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.124 7.236 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.587 9.398 11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.157 9.525 10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.019 9.887 11.434 1.00 0.00 H new ATOM 1426 N ILE A 94 8.305 6.555 9.475 1.00 0.00 N ATOM 1427 CA ILE A 94 7.410 6.181 10.552 1.00 0.00 C ATOM 1428 C ILE A 94 6.810 4.801 10.292 1.00 0.00 C ATOM 1429 O ILE A 94 6.458 4.089 11.230 1.00 0.00 O ATOM 1430 CB ILE A 94 6.287 7.230 10.762 1.00 0.00 C ATOM 1431 CG1 ILE A 94 5.401 6.845 11.951 1.00 0.00 C ATOM 1432 CG2 ILE A 94 5.449 7.394 9.504 1.00 0.00 C ATOM 1433 CD1 ILE A 94 4.291 7.835 12.230 1.00 0.00 C ATOM 0 H ILE A 94 7.922 7.238 8.821 1.00 0.00 H new ATOM 0 HA ILE A 94 7.999 6.145 11.469 1.00 0.00 H new ATOM 0 HB ILE A 94 6.760 8.187 10.980 1.00 0.00 H new ATOM 0 HG12 ILE A 94 4.963 5.865 11.763 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.024 6.751 12.841 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.670 8.135 9.680 1.00 0.00 H new ATOM 0 HG22 ILE A 94 6.086 7.725 8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.990 6.440 9.245 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.707 7.495 13.085 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.722 8.812 12.450 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.644 7.912 11.356 1.00 0.00 H new ATOM 1445 N PHE A 95 6.726 4.408 9.015 1.00 0.00 N ATOM 1446 CA PHE A 95 6.195 3.090 8.659 1.00 0.00 C ATOM 1447 C PHE A 95 6.998 1.975 9.328 1.00 0.00 C ATOM 1448 O PHE A 95 6.431 1.024 9.864 1.00 0.00 O ATOM 1449 CB PHE A 95 6.203 2.898 7.137 1.00 0.00 C ATOM 1450 CG PHE A 95 5.556 1.621 6.675 1.00 0.00 C ATOM 1451 CD1 PHE A 95 4.176 1.506 6.639 1.00 0.00 C ATOM 1452 CD2 PHE A 95 6.327 0.541 6.274 1.00 0.00 C ATOM 1453 CE1 PHE A 95 3.576 0.336 6.212 1.00 0.00 C ATOM 1454 CE2 PHE A 95 5.733 -0.631 5.846 1.00 0.00 C ATOM 1455 CZ PHE A 95 4.355 -0.735 5.816 1.00 0.00 C ATOM 0 H PHE A 95 7.016 4.978 8.220 1.00 0.00 H new ATOM 0 HA PHE A 95 5.167 3.038 9.017 1.00 0.00 H new ATOM 0 HB2 PHE A 95 5.691 3.741 6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 95 7.234 2.918 6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.562 2.339 6.948 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.404 0.616 6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.499 0.259 6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 95 6.345 -1.465 5.535 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.888 -1.651 5.484 1.00 0.00 H new ATOM 1465 N SER A 96 8.317 2.096 9.298 1.00 0.00 N ATOM 1466 CA SER A 96 9.185 1.105 9.920 1.00 0.00 C ATOM 1467 C SER A 96 9.309 1.364 11.422 1.00 0.00 C ATOM 1468 O SER A 96 9.381 0.434 12.229 1.00 0.00 O ATOM 1469 CB SER A 96 10.566 1.141 9.265 1.00 0.00 C ATOM 1470 OG SER A 96 10.466 1.055 7.851 1.00 0.00 O ATOM 0 H SER A 96 8.810 2.869 8.851 1.00 0.00 H new ATOM 0 HA SER A 96 8.746 0.118 9.777 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.078 2.063 9.541 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.171 0.316 9.640 1.00 0.00 H new ATOM 0 HG SER A 96 10.119 1.900 7.496 1.00 0.00 H new ATOM 1476 N ASP A 97 9.304 2.639 11.787 1.00 0.00 N ATOM 1477 CA ASP A 97 9.542 3.061 13.167 1.00 0.00 C ATOM 1478 C ASP A 97 8.374 2.703 14.087 1.00 0.00 C ATOM 1479 O ASP A 97 8.572 2.417 15.268 1.00 0.00 O ATOM 1480 CB ASP A 97 9.786 4.573 13.199 1.00 0.00 C ATOM 1481 CG ASP A 97 10.096 5.102 14.580 1.00 0.00 C ATOM 1482 OD1 ASP A 97 11.175 4.784 15.114 1.00 0.00 O ATOM 1483 OD2 ASP A 97 9.267 5.854 15.138 1.00 0.00 O ATOM 0 H ASP A 97 9.136 3.410 11.140 1.00 0.00 H new ATOM 0 HA ASP A 97 10.420 2.530 13.534 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.613 4.814 12.532 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.905 5.084 12.812 1.00 0.00 H new ATOM 1488 N MET A 98 7.166 2.690 13.534 1.00 0.00 N ATOM 1489 CA MET A 98 5.948 2.517 14.327 1.00 0.00 C ATOM 1490 C MET A 98 5.936 1.214 15.124 1.00 0.00 C ATOM 1491 O MET A 98 5.471 1.191 16.265 1.00 0.00 O ATOM 1492 CB MET A 98 4.700 2.619 13.437 1.00 0.00 C ATOM 1493 CG MET A 98 4.614 1.595 12.310 1.00 0.00 C ATOM 1494 SD MET A 98 3.903 0.021 12.833 1.00 0.00 S ATOM 1495 CE MET A 98 3.972 -0.899 11.296 1.00 0.00 C ATOM 0 H MET A 98 7.001 2.798 12.533 1.00 0.00 H new ATOM 0 HA MET A 98 5.934 3.328 15.055 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.816 2.516 14.067 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.666 3.617 13.001 1.00 0.00 H new ATOM 0 HG2 MET A 98 4.013 2.006 11.499 1.00 0.00 H new ATOM 0 HG3 MET A 98 5.613 1.420 11.910 1.00 0.00 H new ATOM 0 HE1 MET A 98 3.055 -1.475 11.175 1.00 0.00 H new ATOM 0 HE2 MET A 98 4.077 -0.206 10.461 1.00 0.00 H new ATOM 0 HE3 MET A 98 4.826 -1.576 11.315 1.00 0.00 H new ATOM 1505 N MET A 99 6.467 0.145 14.544 1.00 0.00 N ATOM 1506 CA MET A 99 6.420 -1.166 15.183 1.00 0.00 C ATOM 1507 C MET A 99 7.503 -1.285 16.247 1.00 0.00 C ATOM 1508 O MET A 99 7.363 -2.031 17.216 1.00 0.00 O ATOM 1509 CB MET A 99 6.578 -2.273 14.137 1.00 0.00 C ATOM 1510 CG MET A 99 6.370 -3.676 14.689 1.00 0.00 C ATOM 1511 SD MET A 99 4.728 -3.905 15.405 1.00 0.00 S ATOM 1512 CE MET A 99 4.801 -5.632 15.865 1.00 0.00 C ATOM 0 H MET A 99 6.933 0.158 13.637 1.00 0.00 H new ATOM 0 HA MET A 99 5.450 -1.278 15.667 1.00 0.00 H new ATOM 0 HB2 MET A 99 5.866 -2.101 13.330 1.00 0.00 H new ATOM 0 HB3 MET A 99 7.575 -2.208 13.701 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.518 -4.402 13.890 1.00 0.00 H new ATOM 0 HG3 MET A 99 7.125 -3.879 15.449 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.857 -5.927 16.323 1.00 0.00 H new ATOM 0 HE2 MET A 99 4.978 -6.238 14.976 1.00 0.00 H new ATOM 0 HE3 MET A 99 5.613 -5.785 16.576 1.00 0.00 H new ATOM 1522 N GLN A 100 8.567 -0.518 16.074 1.00 0.00 N ATOM 1523 CA GLN A 100 9.707 -0.570 16.974 1.00 0.00 C ATOM 1524 C GLN A 100 9.452 0.317 18.183 1.00 0.00 C ATOM 1525 O GLN A 100 9.794 -0.031 19.315 1.00 0.00 O ATOM 1526 CB GLN A 100 10.981 -0.134 16.235 1.00 0.00 C ATOM 1527 CG GLN A 100 12.227 -0.083 17.108 1.00 0.00 C ATOM 1528 CD GLN A 100 12.558 -1.415 17.759 1.00 0.00 C ATOM 1529 OE1 GLN A 100 13.108 -1.454 18.862 1.00 0.00 O ATOM 1530 NE2 GLN A 100 12.251 -2.513 17.083 1.00 0.00 N ATOM 0 H GLN A 100 8.665 0.153 15.312 1.00 0.00 H new ATOM 0 HA GLN A 100 9.846 -1.594 17.321 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.160 -0.821 15.408 1.00 0.00 H new ATOM 0 HB3 GLN A 100 10.815 0.852 15.801 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.074 0.238 16.502 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.088 0.669 17.885 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.796 -2.441 16.173 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.470 -3.430 17.473 1.00 0.00 H new ATOM 1539 N GLY A 101 8.831 1.459 17.931 1.00 0.00 N ATOM 1540 CA GLY A 101 8.516 2.382 18.997 1.00 0.00 C ATOM 1541 C GLY A 101 7.369 1.901 19.856 1.00 0.00 C ATOM 1542 O GLY A 101 7.516 1.761 21.072 1.00 0.00 O ATOM 0 H GLY A 101 8.539 1.763 17.002 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.398 2.527 19.621 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.265 3.353 18.571 1.00 0.00 H new ATOM 1546 N LYS A 102 6.232 1.614 19.227 1.00 0.00 N ATOM 1547 CA LYS A 102 5.029 1.241 19.965 1.00 0.00 C ATOM 1548 C LYS A 102 3.880 0.912 19.016 1.00 0.00 C ATOM 1549 O LYS A 102 3.641 -0.252 18.691 1.00 0.00 O ATOM 1550 CB LYS A 102 4.608 2.381 20.905 1.00 0.00 C ATOM 1551 CG LYS A 102 3.385 2.070 21.754 1.00 0.00 C ATOM 1552 CD LYS A 102 2.870 3.318 22.455 1.00 0.00 C ATOM 1553 CE LYS A 102 2.459 4.387 21.453 1.00 0.00 C ATOM 1554 NZ LYS A 102 1.904 5.596 22.112 1.00 0.00 N ATOM 0 H LYS A 102 6.119 1.632 18.213 1.00 0.00 H new ATOM 0 HA LYS A 102 5.260 0.352 20.551 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.443 2.620 21.564 1.00 0.00 H new ATOM 0 HB3 LYS A 102 4.406 3.272 20.310 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.599 1.653 21.125 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.637 1.311 22.495 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.018 3.059 23.083 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.643 3.713 23.114 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.323 4.669 20.851 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.716 3.975 20.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.639 6.295 21.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.063 5.335 22.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.621 6.007 22.744 1.00 0.00 H new ATOM 1568 N GLU A 103 3.197 1.959 18.558 1.00 0.00 N ATOM 1569 CA GLU A 103 2.000 1.823 17.739 1.00 0.00 C ATOM 1570 C GLU A 103 1.523 3.205 17.314 1.00 0.00 C ATOM 1571 O GLU A 103 0.870 3.906 18.086 1.00 0.00 O ATOM 1572 CB GLU A 103 0.889 1.115 18.524 1.00 0.00 C ATOM 1573 CG GLU A 103 -0.387 0.884 17.728 1.00 0.00 C ATOM 1574 CD GLU A 103 -1.501 0.317 18.581 1.00 0.00 C ATOM 1575 OE1 GLU A 103 -1.375 -0.839 19.035 1.00 0.00 O ATOM 1576 OE2 GLU A 103 -2.508 1.025 18.807 1.00 0.00 O ATOM 0 H GLU A 103 3.461 2.926 18.746 1.00 0.00 H new ATOM 0 HA GLU A 103 2.239 1.226 16.859 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.264 0.154 18.875 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.650 1.707 19.408 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.713 1.826 17.287 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.180 0.201 16.904 1.00 0.00 H new ATOM 1583 N TYR A 104 1.886 3.614 16.108 1.00 0.00 N ATOM 1584 CA TYR A 104 1.511 4.930 15.607 1.00 0.00 C ATOM 1585 C TYR A 104 1.706 5.032 14.102 1.00 0.00 C ATOM 1586 O TYR A 104 2.797 4.828 13.590 1.00 0.00 O ATOM 1587 CB TYR A 104 2.296 6.044 16.320 1.00 0.00 C ATOM 1588 CG TYR A 104 3.772 5.749 16.530 1.00 0.00 C ATOM 1589 CD1 TYR A 104 4.701 5.969 15.521 1.00 0.00 C ATOM 1590 CD2 TYR A 104 4.233 5.249 17.744 1.00 0.00 C ATOM 1591 CE1 TYR A 104 6.040 5.693 15.710 1.00 0.00 C ATOM 1592 CE2 TYR A 104 5.573 4.972 17.940 1.00 0.00 C ATOM 1593 CZ TYR A 104 6.472 5.196 16.919 1.00 0.00 C ATOM 1594 OH TYR A 104 7.806 4.922 17.106 1.00 0.00 O ATOM 0 H TYR A 104 2.439 3.056 15.458 1.00 0.00 H new ATOM 0 HA TYR A 104 0.451 5.062 15.822 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.202 6.963 15.741 1.00 0.00 H new ATOM 0 HB3 TYR A 104 1.835 6.230 17.290 1.00 0.00 H new ATOM 0 HD1 TYR A 104 4.370 6.363 14.572 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.532 5.074 18.547 1.00 0.00 H new ATOM 0 HE1 TYR A 104 6.747 5.866 14.912 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.914 4.582 18.888 1.00 0.00 H new ATOM 0 HH TYR A 104 8.302 5.135 16.288 1.00 0.00 H new ATOM 1604 N ASP A 105 0.637 5.354 13.404 1.00 0.00 N ATOM 1605 CA ASP A 105 0.699 5.541 11.958 1.00 0.00 C ATOM 1606 C ASP A 105 0.150 6.905 11.591 1.00 0.00 C ATOM 1607 O ASP A 105 -1.029 7.030 11.276 1.00 0.00 O ATOM 1608 CB ASP A 105 -0.079 4.449 11.212 1.00 0.00 C ATOM 1609 CG ASP A 105 -0.065 4.651 9.703 1.00 0.00 C ATOM 1610 OD1 ASP A 105 0.939 4.283 9.061 1.00 0.00 O ATOM 1611 OD2 ASP A 105 -1.059 5.183 9.160 1.00 0.00 O ATOM 0 H ASP A 105 -0.289 5.493 13.809 1.00 0.00 H new ATOM 0 HA ASP A 105 1.744 5.472 11.657 1.00 0.00 H new ATOM 0 HB2 ASP A 105 0.350 3.475 11.449 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -1.110 4.437 11.564 1.00 0.00 H new ATOM 1616 N ASP A 106 1.004 7.921 11.715 1.00 0.00 N ATOM 1617 CA ASP A 106 0.683 9.311 11.359 1.00 0.00 C ATOM 1618 C ASP A 106 -0.600 9.803 12.029 1.00 0.00 C ATOM 1619 O ASP A 106 -0.559 10.457 13.071 1.00 0.00 O ATOM 1620 CB ASP A 106 0.576 9.465 9.840 1.00 0.00 C ATOM 1621 CG ASP A 106 0.355 10.903 9.420 1.00 0.00 C ATOM 1622 OD1 ASP A 106 1.335 11.677 9.409 1.00 0.00 O ATOM 1623 OD2 ASP A 106 -0.796 11.268 9.107 1.00 0.00 O ATOM 0 H ASP A 106 1.953 7.804 12.070 1.00 0.00 H new ATOM 0 HA ASP A 106 1.501 9.930 11.728 1.00 0.00 H new ATOM 0 HB2 ASP A 106 1.487 9.089 9.374 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -0.246 8.851 9.472 1.00 0.00 H new ATOM 1628 N SER A 107 -1.732 9.463 11.433 1.00 0.00 N ATOM 1629 CA SER A 107 -3.038 9.857 11.940 1.00 0.00 C ATOM 1630 C SER A 107 -3.504 8.900 13.036 1.00 0.00 C ATOM 1631 O SER A 107 -4.570 9.082 13.626 1.00 0.00 O ATOM 1632 CB SER A 107 -4.047 9.893 10.788 1.00 0.00 C ATOM 1633 OG SER A 107 -3.944 8.726 9.986 1.00 0.00 O ATOM 0 H SER A 107 -1.771 8.904 10.581 1.00 0.00 H new ATOM 0 HA SER A 107 -2.962 10.853 12.377 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.058 9.976 11.187 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.873 10.777 10.175 1.00 0.00 H new ATOM 0 HG SER A 107 -4.599 8.770 9.258 1.00 0.00 H new ATOM 1639 N ILE A 108 -2.688 7.879 13.296 1.00 0.00 N ATOM 1640 CA ILE A 108 -2.945 6.898 14.349 1.00 0.00 C ATOM 1641 C ILE A 108 -4.120 6.000 13.955 1.00 0.00 C ATOM 1642 O ILE A 108 -4.900 5.544 14.790 1.00 0.00 O ATOM 1643 CB ILE A 108 -3.193 7.573 15.731 1.00 0.00 C ATOM 1644 CG1 ILE A 108 -2.124 8.638 16.012 1.00 0.00 C ATOM 1645 CG2 ILE A 108 -3.185 6.540 16.856 1.00 0.00 C ATOM 1646 CD1 ILE A 108 -0.707 8.104 16.017 1.00 0.00 C ATOM 0 H ILE A 108 -1.825 7.709 12.779 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.052 6.283 14.457 1.00 0.00 H new ATOM 0 HB ILE A 108 -4.174 8.047 15.694 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.202 9.423 15.260 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.331 9.099 16.978 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -3.360 7.039 17.809 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.971 5.805 16.681 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.218 6.038 16.882 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.012 8.918 16.223 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.609 7.340 16.788 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.479 7.669 15.044 1.00 0.00 H new ATOM 1658 N ASP A 109 -4.231 5.742 12.663 1.00 0.00 N ATOM 1659 CA ASP A 109 -5.197 4.777 12.166 1.00 0.00 C ATOM 1660 C ASP A 109 -4.487 3.480 11.815 1.00 0.00 C ATOM 1661 O ASP A 109 -3.983 3.312 10.708 1.00 0.00 O ATOM 1662 CB ASP A 109 -5.956 5.320 10.954 1.00 0.00 C ATOM 1663 CG ASP A 109 -7.390 5.674 11.291 1.00 0.00 C ATOM 1664 OD1 ASP A 109 -8.187 4.746 11.545 1.00 0.00 O ATOM 1665 OD2 ASP A 109 -7.727 6.878 11.312 1.00 0.00 O ATOM 0 H ASP A 109 -3.665 6.186 11.940 1.00 0.00 H new ATOM 0 HA ASP A 109 -5.929 4.586 12.951 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.445 6.204 10.573 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.944 4.577 10.157 1.00 0.00 H new ATOM 1670 N LEU A 110 -4.431 2.573 12.779 1.00 0.00 N ATOM 1671 CA LEU A 110 -3.675 1.337 12.625 1.00 0.00 C ATOM 1672 C LEU A 110 -4.552 0.226 12.063 1.00 0.00 C ATOM 1673 O LEU A 110 -4.086 -0.890 11.860 1.00 0.00 O ATOM 1674 CB LEU A 110 -3.075 0.882 13.966 1.00 0.00 C ATOM 1675 CG LEU A 110 -1.901 1.712 14.506 1.00 0.00 C ATOM 1676 CD1 LEU A 110 -0.824 1.881 13.448 1.00 0.00 C ATOM 1677 CD2 LEU A 110 -2.364 3.067 15.020 1.00 0.00 C ATOM 0 H LEU A 110 -4.901 2.669 13.679 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.865 1.541 11.925 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.868 0.885 14.714 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.743 -0.150 13.859 1.00 0.00 H new ATOM 0 HG LEU A 110 -1.475 1.165 15.347 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -0.004 2.472 13.855 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.451 0.901 13.148 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.243 2.391 12.580 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.507 3.627 15.394 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.834 3.623 14.209 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.084 2.924 15.826 1.00 0.00 H new ATOM 1689 N GLY A 111 -5.815 0.534 11.804 1.00 0.00 N ATOM 1690 CA GLY A 111 -6.738 -0.471 11.304 1.00 0.00 C ATOM 1691 C GLY A 111 -6.348 -0.977 9.929 1.00 0.00 C ATOM 1692 O GLY A 111 -6.387 -2.179 9.663 1.00 0.00 O ATOM 0 H GLY A 111 -6.219 1.462 11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.772 -1.309 12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.743 -0.050 11.262 1.00 0.00 H new ATOM 1696 N ASP A 112 -5.956 -0.056 9.063 1.00 0.00 N ATOM 1697 CA ASP A 112 -5.539 -0.398 7.708 1.00 0.00 C ATOM 1698 C ASP A 112 -4.238 -1.196 7.742 1.00 0.00 C ATOM 1699 O ASP A 112 -4.090 -2.203 7.051 1.00 0.00 O ATOM 1700 CB ASP A 112 -5.359 0.875 6.874 1.00 0.00 C ATOM 1701 CG ASP A 112 -6.598 1.753 6.876 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -6.753 2.563 7.820 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -7.423 1.635 5.947 1.00 0.00 O ATOM 0 H ASP A 112 -5.917 0.941 9.274 1.00 0.00 H new ATOM 0 HA ASP A 112 -6.313 -1.012 7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.514 1.444 7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.114 0.601 5.848 1.00 0.00 H new ATOM 1708 N ILE A 113 -3.303 -0.737 8.566 1.00 0.00 N ATOM 1709 CA ILE A 113 -2.025 -1.411 8.755 1.00 0.00 C ATOM 1710 C ILE A 113 -2.219 -2.787 9.394 1.00 0.00 C ATOM 1711 O ILE A 113 -1.472 -3.718 9.111 1.00 0.00 O ATOM 1712 CB ILE A 113 -1.072 -0.563 9.633 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.860 0.822 9.011 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.266 -1.267 9.827 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.265 0.785 7.618 1.00 0.00 C ATOM 0 H ILE A 113 -3.410 0.112 9.121 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.577 -1.538 7.769 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.536 -0.440 10.612 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.817 1.343 8.973 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.206 1.404 9.660 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.916 -0.649 10.447 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.104 -2.228 10.316 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.736 -1.428 8.857 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.146 1.803 7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.708 0.294 7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.929 0.232 6.954 1.00 0.00 H new ATOM 1727 N GLU A 114 -3.234 -2.913 10.246 1.00 0.00 N ATOM 1728 CA GLU A 114 -3.544 -4.182 10.901 1.00 0.00 C ATOM 1729 C GLU A 114 -3.893 -5.245 9.860 1.00 0.00 C ATOM 1730 O GLU A 114 -3.520 -6.414 9.991 1.00 0.00 O ATOM 1731 CB GLU A 114 -4.711 -4.007 11.878 1.00 0.00 C ATOM 1732 CG GLU A 114 -4.945 -5.208 12.781 1.00 0.00 C ATOM 1733 CD GLU A 114 -3.873 -5.360 13.844 1.00 0.00 C ATOM 1734 OE1 GLU A 114 -2.740 -5.766 13.508 1.00 0.00 O ATOM 1735 OE2 GLU A 114 -4.158 -5.073 15.024 1.00 0.00 O ATOM 0 H GLU A 114 -3.859 -2.148 10.500 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.664 -4.507 11.457 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -4.525 -3.130 12.498 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -5.620 -3.809 11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -5.918 -5.111 13.263 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.979 -6.113 12.174 1.00 0.00 H new ATOM 1742 N ALA A 115 -4.581 -4.821 8.806 1.00 0.00 N ATOM 1743 CA ALA A 115 -4.954 -5.718 7.718 1.00 0.00 C ATOM 1744 C ALA A 115 -3.729 -6.115 6.902 1.00 0.00 C ATOM 1745 O ALA A 115 -3.774 -7.045 6.101 1.00 0.00 O ATOM 1746 CB ALA A 115 -5.996 -5.060 6.825 1.00 0.00 C ATOM 0 H ALA A 115 -4.893 -3.858 8.682 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.384 -6.622 8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.265 -5.741 6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.883 -4.826 7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -5.587 -4.142 6.404 1.00 0.00 H new ATOM 1752 N LEU A 116 -2.632 -5.408 7.130 1.00 0.00 N ATOM 1753 CA LEU A 116 -1.390 -5.649 6.415 1.00 0.00 C ATOM 1754 C LEU A 116 -0.395 -6.325 7.356 1.00 0.00 C ATOM 1755 O LEU A 116 0.682 -6.762 6.955 1.00 0.00 O ATOM 1756 CB LEU A 116 -0.836 -4.305 5.927 1.00 0.00 C ATOM 1757 CG LEU A 116 0.373 -4.362 4.994 1.00 0.00 C ATOM 1758 CD1 LEU A 116 -0.035 -4.872 3.621 1.00 0.00 C ATOM 1759 CD2 LEU A 116 1.009 -2.986 4.890 1.00 0.00 C ATOM 0 H LEU A 116 -2.579 -4.653 7.814 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.562 -6.300 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.637 -3.772 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.565 -3.711 6.800 1.00 0.00 H new ATOM 0 HG LEU A 116 1.105 -5.056 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.839 -4.906 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.456 -5.873 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.781 -4.204 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.870 -3.033 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.281 -2.278 4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.332 -2.659 5.878 1.00 0.00 H new ATOM 1771 N GLN A 117 -0.803 -6.424 8.614 1.00 0.00 N ATOM 1772 CA GLN A 117 0.069 -6.863 9.694 1.00 0.00 C ATOM 1773 C GLN A 117 0.152 -8.384 9.778 1.00 0.00 C ATOM 1774 O GLN A 117 1.197 -8.976 9.510 1.00 0.00 O ATOM 1775 CB GLN A 117 -0.454 -6.317 11.021 1.00 0.00 C ATOM 1776 CG GLN A 117 0.587 -6.262 12.120 1.00 0.00 C ATOM 1777 CD GLN A 117 1.692 -5.285 11.795 1.00 0.00 C ATOM 1778 OE1 GLN A 117 2.728 -5.653 11.244 1.00 0.00 O ATOM 1779 NE2 GLN A 117 1.456 -4.022 12.100 1.00 0.00 N ATOM 0 H GLN A 117 -1.752 -6.201 8.915 1.00 0.00 H new ATOM 0 HA GLN A 117 1.069 -6.482 9.489 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -0.849 -5.314 10.859 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.286 -6.937 11.354 1.00 0.00 H new ATOM 0 HG2 GLN A 117 0.111 -5.975 13.058 1.00 0.00 H new ATOM 0 HG3 GLN A 117 1.011 -7.255 12.269 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.582 -3.762 12.557 1.00 0.00 H new ATOM 0 HE22 GLN A 117 2.148 -3.306 11.878 1.00 0.00 H new ATOM 1788 N GLY A 118 -0.959 -9.007 10.158 1.00 0.00 N ATOM 1789 CA GLY A 118 -0.971 -10.439 10.408 1.00 0.00 C ATOM 1790 C GLY A 118 -0.623 -11.260 9.184 1.00 0.00 C ATOM 1791 O GLY A 118 0.118 -12.239 9.270 1.00 0.00 O ATOM 0 H GLY A 118 -1.857 -8.543 10.298 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -0.263 -10.668 11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -1.959 -10.731 10.765 1.00 0.00 H new ATOM 1795 N VAL A 119 -1.138 -10.845 8.037 1.00 0.00 N ATOM 1796 CA VAL A 119 -0.930 -11.575 6.794 1.00 0.00 C ATOM 1797 C VAL A 119 0.519 -11.481 6.320 1.00 0.00 C ATOM 1798 O VAL A 119 0.981 -12.322 5.562 1.00 0.00 O ATOM 1799 CB VAL A 119 -1.871 -11.066 5.685 1.00 0.00 C ATOM 1800 CG1 VAL A 119 -3.324 -11.336 6.048 1.00 0.00 C ATOM 1801 CG2 VAL A 119 -1.651 -9.582 5.430 1.00 0.00 C ATOM 0 H VAL A 119 -1.706 -10.003 7.940 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.158 -12.621 7.001 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.640 -11.608 4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.972 -10.969 5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -3.475 -12.408 6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.568 -10.824 6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.326 -9.244 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.850 -9.022 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.620 -9.415 5.120 1.00 0.00 H new ATOM 1811 N SER A 120 1.235 -10.485 6.820 1.00 0.00 N ATOM 1812 CA SER A 120 2.608 -10.195 6.406 1.00 0.00 C ATOM 1813 C SER A 120 3.565 -11.372 6.641 1.00 0.00 C ATOM 1814 O SER A 120 4.685 -11.370 6.126 1.00 0.00 O ATOM 1815 CB SER A 120 3.123 -8.943 7.134 1.00 0.00 C ATOM 1816 OG SER A 120 4.412 -8.561 6.673 1.00 0.00 O ATOM 0 H SER A 120 0.880 -9.847 7.532 1.00 0.00 H new ATOM 0 HA SER A 120 2.584 -10.017 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.424 -8.121 6.983 1.00 0.00 H new ATOM 0 HB3 SER A 120 3.162 -9.135 8.206 1.00 0.00 H new ATOM 0 HG SER A 120 4.935 -9.363 6.462 1.00 0.00 H new ATOM 1822 N LYS A 121 3.145 -12.367 7.416 1.00 0.00 N ATOM 1823 CA LYS A 121 4.092 -13.339 7.942 1.00 0.00 C ATOM 1824 C LYS A 121 3.581 -14.769 7.824 1.00 0.00 C ATOM 1825 O LYS A 121 4.363 -15.716 7.912 1.00 0.00 O ATOM 1826 CB LYS A 121 4.470 -12.994 9.390 1.00 0.00 C ATOM 1827 CG LYS A 121 3.288 -12.780 10.330 1.00 0.00 C ATOM 1828 CD LYS A 121 2.723 -14.092 10.850 1.00 0.00 C ATOM 1829 CE LYS A 121 1.637 -13.861 11.888 1.00 0.00 C ATOM 1830 NZ LYS A 121 2.137 -13.093 13.060 1.00 0.00 N ATOM 0 H LYS A 121 2.174 -12.519 7.689 1.00 0.00 H new ATOM 0 HA LYS A 121 4.992 -13.283 7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.092 -13.796 9.788 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.080 -12.090 9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.602 -12.163 11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.505 -12.231 9.807 1.00 0.00 H new ATOM 0 HD2 LYS A 121 2.316 -14.668 10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 121 3.525 -14.686 11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 121 0.807 -13.323 11.430 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.247 -14.822 12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 1.484 -13.216 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.080 -13.441 13.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 2.198 -12.084 12.814 1.00 0.00 H new ATOM 1844 N PHE A 122 2.274 -14.938 7.644 1.00 0.00 N ATOM 1845 CA PHE A 122 1.733 -16.249 7.324 1.00 0.00 C ATOM 1846 C PHE A 122 2.313 -16.706 5.998 1.00 0.00 C ATOM 1847 O PHE A 122 2.229 -15.978 5.014 1.00 0.00 O ATOM 1848 CB PHE A 122 0.205 -16.218 7.217 1.00 0.00 C ATOM 1849 CG PHE A 122 -0.504 -15.909 8.501 1.00 0.00 C ATOM 1850 CD1 PHE A 122 -0.264 -16.655 9.642 1.00 0.00 C ATOM 1851 CD2 PHE A 122 -1.428 -14.881 8.558 1.00 0.00 C ATOM 1852 CE1 PHE A 122 -0.931 -16.377 10.819 1.00 0.00 C ATOM 1853 CE2 PHE A 122 -2.096 -14.596 9.732 1.00 0.00 C ATOM 1854 CZ PHE A 122 -1.848 -15.346 10.864 1.00 0.00 C ATOM 0 H PHE A 122 1.581 -14.193 7.714 1.00 0.00 H new ATOM 0 HA PHE A 122 2.002 -16.937 8.125 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.079 -15.474 6.472 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -0.140 -17.185 6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 122 0.452 -17.463 9.612 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -1.629 -14.295 7.674 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.735 -16.966 11.703 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -2.811 -13.788 9.765 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.370 -15.127 11.783 1.00 0.00 H new ATOM 1864 N PRO A 123 2.905 -17.909 5.945 1.00 0.00 N ATOM 1865 CA PRO A 123 3.522 -18.441 4.720 1.00 0.00 C ATOM 1866 C PRO A 123 2.579 -18.411 3.517 1.00 0.00 C ATOM 1867 O PRO A 123 3.019 -18.477 2.365 1.00 0.00 O ATOM 1868 CB PRO A 123 3.859 -19.885 5.095 1.00 0.00 C ATOM 1869 CG PRO A 123 4.028 -19.856 6.573 1.00 0.00 C ATOM 1870 CD PRO A 123 3.033 -18.848 7.075 1.00 0.00 C ATOM 0 HA PRO A 123 4.383 -17.847 4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.062 -20.568 4.800 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.769 -20.222 4.598 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.844 -20.838 7.008 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.045 -19.572 6.846 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.079 -19.313 7.322 1.00 0.00 H new ATOM 0 HD3 PRO A 123 3.387 -18.347 7.976 1.00 0.00 H new ATOM 1878 N ALA A 124 1.284 -18.301 3.788 1.00 0.00 N ATOM 1879 CA ALA A 124 0.286 -18.291 2.734 1.00 0.00 C ATOM 1880 C ALA A 124 -0.220 -16.882 2.407 1.00 0.00 C ATOM 1881 O ALA A 124 -0.917 -16.700 1.408 1.00 0.00 O ATOM 1882 CB ALA A 124 -0.880 -19.189 3.112 1.00 0.00 C ATOM 0 H ALA A 124 0.904 -18.218 4.731 1.00 0.00 H new ATOM 0 HA ALA A 124 0.770 -18.671 1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -1.623 -19.175 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -0.522 -20.208 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -1.332 -18.829 4.036 1.00 0.00 H new ATOM 1888 N ARG A 125 0.112 -15.870 3.219 1.00 0.00 N ATOM 1889 CA ARG A 125 -0.405 -14.534 2.964 1.00 0.00 C ATOM 1890 C ARG A 125 0.732 -13.533 2.939 1.00 0.00 C ATOM 1891 O ARG A 125 0.527 -12.349 2.671 1.00 0.00 O ATOM 1892 CB ARG A 125 -1.447 -14.124 4.015 1.00 0.00 C ATOM 1893 CG ARG A 125 -2.805 -14.799 3.861 1.00 0.00 C ATOM 1894 CD ARG A 125 -2.807 -16.229 4.386 1.00 0.00 C ATOM 1895 NE ARG A 125 -4.096 -16.886 4.169 1.00 0.00 N ATOM 1896 CZ ARG A 125 -4.616 -17.802 4.987 1.00 0.00 C ATOM 1897 NH1 ARG A 125 -3.930 -18.217 6.049 1.00 0.00 N ATOM 1898 NH2 ARG A 125 -5.816 -18.311 4.733 1.00 0.00 N ATOM 0 H ARG A 125 0.719 -15.953 4.034 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.898 -14.545 1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.053 -14.352 5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.586 -13.044 3.968 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -3.558 -14.219 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.089 -14.801 2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.021 -16.799 3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.576 -16.225 5.451 1.00 0.00 H new ATOM 0 HE ARG A 125 -4.631 -16.627 3.340 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.004 -17.834 6.239 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -4.330 -18.918 6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -6.338 -18.001 3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.215 -19.012 5.357 1.00 0.00 H new ATOM 1912 N ILE A 126 1.936 -14.035 3.182 1.00 0.00 N ATOM 1913 CA ILE A 126 3.116 -13.194 3.304 1.00 0.00 C ATOM 1914 C ILE A 126 3.358 -12.435 2.014 1.00 0.00 C ATOM 1915 O ILE A 126 3.738 -11.269 2.027 1.00 0.00 O ATOM 1916 CB ILE A 126 4.372 -14.025 3.674 1.00 0.00 C ATOM 1917 CG1 ILE A 126 5.627 -13.145 3.674 1.00 0.00 C ATOM 1918 CG2 ILE A 126 4.542 -15.208 2.727 1.00 0.00 C ATOM 1919 CD1 ILE A 126 6.889 -13.885 4.063 1.00 0.00 C ATOM 0 H ILE A 126 2.120 -15.031 3.299 1.00 0.00 H new ATOM 0 HA ILE A 126 2.933 -12.483 4.110 1.00 0.00 H new ATOM 0 HB ILE A 126 4.231 -14.417 4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 126 5.759 -12.716 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 126 5.477 -12.314 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 126 5.430 -15.774 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.665 -15.853 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.652 -14.844 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 126 7.735 -13.198 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.778 -14.291 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 126 7.064 -14.700 3.360 1.00 0.00 H new ATOM 1931 N LYS A 127 3.082 -13.090 0.903 1.00 0.00 N ATOM 1932 CA LYS A 127 3.338 -12.494 -0.398 1.00 0.00 C ATOM 1933 C LYS A 127 2.167 -11.636 -0.839 1.00 0.00 C ATOM 1934 O LYS A 127 2.319 -10.755 -1.677 1.00 0.00 O ATOM 1935 CB LYS A 127 3.671 -13.552 -1.445 1.00 0.00 C ATOM 1936 CG LYS A 127 5.054 -14.152 -1.261 1.00 0.00 C ATOM 1937 CD LYS A 127 5.497 -14.933 -2.485 1.00 0.00 C ATOM 1938 CE LYS A 127 6.965 -15.310 -2.389 1.00 0.00 C ATOM 1939 NZ LYS A 127 7.469 -15.895 -3.655 1.00 0.00 N ATOM 0 H LYS A 127 2.683 -14.028 0.872 1.00 0.00 H new ATOM 0 HA LYS A 127 4.212 -11.850 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 127 2.927 -14.347 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 127 3.603 -13.107 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 127 5.771 -13.357 -1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 127 5.052 -14.809 -0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 127 4.892 -15.834 -2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 127 5.329 -14.336 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 127 7.551 -14.426 -2.139 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.104 -16.025 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.474 -16.139 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.927 -16.753 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.360 -15.204 -4.424 1.00 0.00 H new ATOM 1953 N CYS A 128 1.001 -11.887 -0.262 1.00 0.00 N ATOM 1954 CA CYS A 128 -0.146 -11.025 -0.486 1.00 0.00 C ATOM 1955 C CYS A 128 0.082 -9.702 0.237 1.00 0.00 C ATOM 1956 O CYS A 128 -0.325 -8.634 -0.228 1.00 0.00 O ATOM 1957 CB CYS A 128 -1.429 -11.704 -0.001 1.00 0.00 C ATOM 1958 SG CYS A 128 -1.787 -13.272 -0.835 1.00 0.00 S ATOM 0 H CYS A 128 0.826 -12.676 0.361 1.00 0.00 H new ATOM 0 HA CYS A 128 -0.260 -10.834 -1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -1.351 -11.883 1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -2.268 -11.024 -0.150 1.00 0.00 H new ATOM 1964 N ALA A 129 0.778 -9.779 1.358 1.00 0.00 N ATOM 1965 CA ALA A 129 1.143 -8.588 2.101 1.00 0.00 C ATOM 1966 C ALA A 129 2.354 -7.938 1.455 1.00 0.00 C ATOM 1967 O ALA A 129 2.434 -6.718 1.341 1.00 0.00 O ATOM 1968 CB ALA A 129 1.426 -8.926 3.553 1.00 0.00 C ATOM 0 H ALA A 129 1.101 -10.653 1.772 1.00 0.00 H new ATOM 0 HA ALA A 129 0.309 -7.887 2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 129 1.698 -8.018 4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 129 0.536 -9.363 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 129 2.248 -9.640 3.607 1.00 0.00 H new ATOM 1974 N THR A 130 3.286 -8.777 1.016 1.00 0.00 N ATOM 1975 CA THR A 130 4.466 -8.315 0.307 1.00 0.00 C ATOM 1976 C THR A 130 4.077 -7.562 -0.963 1.00 0.00 C ATOM 1977 O THR A 130 4.617 -6.498 -1.238 1.00 0.00 O ATOM 1978 CB THR A 130 5.404 -9.491 -0.049 1.00 0.00 C ATOM 1979 OG1 THR A 130 5.912 -10.091 1.151 1.00 0.00 O ATOM 1980 CG2 THR A 130 6.571 -9.038 -0.918 1.00 0.00 C ATOM 0 H THR A 130 3.243 -9.788 1.142 1.00 0.00 H new ATOM 0 HA THR A 130 5.000 -7.636 0.972 1.00 0.00 H new ATOM 0 HB THR A 130 4.821 -10.218 -0.614 1.00 0.00 H new ATOM 0 HG1 THR A 130 5.175 -10.239 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 130 7.207 -9.893 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 130 6.190 -8.611 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 130 7.152 -8.286 -0.384 1.00 0.00 H new ATOM 1988 N LEU A 131 3.119 -8.093 -1.721 1.00 0.00 N ATOM 1989 CA LEU A 131 2.714 -7.446 -2.963 1.00 0.00 C ATOM 1990 C LEU A 131 2.107 -6.075 -2.678 1.00 0.00 C ATOM 1991 O LEU A 131 2.320 -5.133 -3.431 1.00 0.00 O ATOM 1992 CB LEU A 131 1.757 -8.334 -3.790 1.00 0.00 C ATOM 1993 CG LEU A 131 0.382 -8.640 -3.178 1.00 0.00 C ATOM 1994 CD1 LEU A 131 -0.616 -7.525 -3.459 1.00 0.00 C ATOM 1995 CD2 LEU A 131 -0.148 -9.959 -3.709 1.00 0.00 C ATOM 0 H LEU A 131 2.618 -8.954 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 131 3.607 -7.301 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 131 1.598 -7.853 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 131 2.259 -9.282 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 131 0.509 -8.712 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.578 -7.776 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.249 -6.592 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.737 -7.408 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -1.123 -10.164 -3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.246 -9.902 -4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.544 -10.760 -3.449 1.00 0.00 H new ATOM 2007 N SER A 132 1.380 -5.964 -1.572 1.00 0.00 N ATOM 2008 CA SER A 132 0.782 -4.693 -1.183 1.00 0.00 C ATOM 2009 C SER A 132 1.851 -3.718 -0.675 1.00 0.00 C ATOM 2010 O SER A 132 1.969 -2.589 -1.161 1.00 0.00 O ATOM 2011 CB SER A 132 -0.274 -4.938 -0.101 1.00 0.00 C ATOM 2012 OG SER A 132 -1.175 -5.961 -0.494 1.00 0.00 O ATOM 0 H SER A 132 1.191 -6.735 -0.932 1.00 0.00 H new ATOM 0 HA SER A 132 0.309 -4.244 -2.056 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.214 -5.217 0.833 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.825 -4.017 0.090 1.00 0.00 H new ATOM 0 HG SER A 132 -0.752 -6.836 -0.368 1.00 0.00 H new ATOM 2018 N TRP A 133 2.646 -4.177 0.285 1.00 0.00 N ATOM 2019 CA TRP A 133 3.655 -3.343 0.926 1.00 0.00 C ATOM 2020 C TRP A 133 4.766 -2.962 -0.049 1.00 0.00 C ATOM 2021 O TRP A 133 5.102 -1.785 -0.181 1.00 0.00 O ATOM 2022 CB TRP A 133 4.206 -4.073 2.166 1.00 0.00 C ATOM 2023 CG TRP A 133 5.656 -3.822 2.472 1.00 0.00 C ATOM 2024 CD1 TRP A 133 6.274 -2.618 2.686 1.00 0.00 C ATOM 2025 CD2 TRP A 133 6.667 -4.825 2.626 1.00 0.00 C ATOM 2026 NE1 TRP A 133 7.613 -2.817 2.930 1.00 0.00 N ATOM 2027 CE2 TRP A 133 7.874 -4.162 2.908 1.00 0.00 C ATOM 2028 CE3 TRP A 133 6.668 -6.222 2.544 1.00 0.00 C ATOM 2029 CZ2 TRP A 133 9.068 -4.847 3.111 1.00 0.00 C ATOM 2030 CZ3 TRP A 133 7.854 -6.901 2.748 1.00 0.00 C ATOM 2031 CH2 TRP A 133 9.040 -6.212 3.028 1.00 0.00 C ATOM 0 H TRP A 133 2.610 -5.133 0.639 1.00 0.00 H new ATOM 0 HA TRP A 133 3.194 -2.409 1.247 1.00 0.00 H new ATOM 0 HB2 TRP A 133 3.613 -3.779 3.032 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.061 -5.145 2.030 1.00 0.00 H new ATOM 0 HD1 TRP A 133 5.783 -1.656 2.666 1.00 0.00 H new ATOM 0 HE1 TRP A 133 8.300 -2.083 3.100 1.00 0.00 H new ATOM 0 HE3 TRP A 133 5.758 -6.760 2.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 9.985 -4.319 3.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 7.866 -7.979 2.691 1.00 0.00 H new ATOM 0 HH2 TRP A 133 9.952 -6.770 3.182 1.00 0.00 H new ATOM 2042 N LYS A 134 5.318 -3.942 -0.752 1.00 0.00 N ATOM 2043 CA LYS A 134 6.440 -3.688 -1.645 1.00 0.00 C ATOM 2044 C LYS A 134 6.018 -2.846 -2.840 1.00 0.00 C ATOM 2045 O LYS A 134 6.833 -2.129 -3.406 1.00 0.00 O ATOM 2046 CB LYS A 134 7.079 -4.993 -2.120 1.00 0.00 C ATOM 2047 CG LYS A 134 7.794 -5.765 -1.019 1.00 0.00 C ATOM 2048 CD LYS A 134 9.018 -5.025 -0.499 1.00 0.00 C ATOM 2049 CE LYS A 134 10.069 -4.841 -1.582 1.00 0.00 C ATOM 2050 NZ LYS A 134 11.316 -4.226 -1.057 1.00 0.00 N ATOM 0 H LYS A 134 5.010 -4.914 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 134 7.182 -3.128 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 134 6.306 -5.628 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 134 7.791 -4.770 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.103 -5.944 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 134 8.096 -6.741 -1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 134 8.717 -4.050 -0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.449 -5.577 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.303 -5.808 -2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 134 9.664 -4.214 -2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 11.823 -3.754 -1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.077 -3.528 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.921 -4.965 -0.646 1.00 0.00 H new ATOM 2064 N ALA A 135 4.748 -2.921 -3.223 1.00 0.00 N ATOM 2065 CA ALA A 135 4.250 -2.105 -4.323 1.00 0.00 C ATOM 2066 C ALA A 135 4.210 -0.637 -3.925 1.00 0.00 C ATOM 2067 O ALA A 135 4.433 0.248 -4.748 1.00 0.00 O ATOM 2068 CB ALA A 135 2.870 -2.563 -4.760 1.00 0.00 C ATOM 0 H ALA A 135 4.052 -3.531 -2.794 1.00 0.00 H new ATOM 0 HA ALA A 135 4.934 -2.224 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.522 -1.937 -5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.919 -3.601 -5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.177 -2.480 -3.923 1.00 0.00 H new ATOM 2074 N LEU A 136 3.950 -0.390 -2.649 1.00 0.00 N ATOM 2075 CA LEU A 136 3.833 0.968 -2.149 1.00 0.00 C ATOM 2076 C LEU A 136 5.217 1.492 -1.798 1.00 0.00 C ATOM 2077 O LEU A 136 5.550 2.653 -2.051 1.00 0.00 O ATOM 2078 CB LEU A 136 2.928 1.003 -0.915 1.00 0.00 C ATOM 2079 CG LEU A 136 2.270 2.351 -0.627 1.00 0.00 C ATOM 2080 CD1 LEU A 136 1.150 2.619 -1.621 1.00 0.00 C ATOM 2081 CD2 LEU A 136 1.741 2.386 0.796 1.00 0.00 C ATOM 0 H LEU A 136 3.816 -1.114 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 136 3.389 1.599 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.146 0.254 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.516 0.711 -0.045 1.00 0.00 H new ATOM 0 HG LEU A 136 3.020 3.135 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.692 3.583 -1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.556 2.632 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.398 1.834 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 136 1.275 3.353 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 136 1.003 1.595 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 136 2.565 2.236 1.494 1.00 0.00 H new ATOM 2093 N GLU A 137 6.023 0.607 -1.226 1.00 0.00 N ATOM 2094 CA GLU A 137 7.390 0.923 -0.856 1.00 0.00 C ATOM 2095 C GLU A 137 8.222 1.215 -2.097 1.00 0.00 C ATOM 2096 O GLU A 137 8.965 2.196 -2.148 1.00 0.00 O ATOM 2097 CB GLU A 137 8.011 -0.244 -0.085 1.00 0.00 C ATOM 2098 CG GLU A 137 9.441 0.012 0.353 1.00 0.00 C ATOM 2099 CD GLU A 137 10.134 -1.230 0.866 1.00 0.00 C ATOM 2100 OE1 GLU A 137 10.047 -1.507 2.079 1.00 0.00 O ATOM 2101 OE2 GLU A 137 10.785 -1.924 0.058 1.00 0.00 O ATOM 0 H GLU A 137 5.744 -0.349 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 137 7.379 1.808 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.402 -0.453 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.985 -1.137 -0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 137 10.006 0.415 -0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 137 9.445 0.772 1.134 1.00 0.00 H new ATOM 2108 N LYS A 138 8.058 0.380 -3.117 1.00 0.00 N ATOM 2109 CA LYS A 138 8.914 0.458 -4.303 1.00 0.00 C ATOM 2110 C LYS A 138 8.622 1.726 -5.100 1.00 0.00 C ATOM 2111 O LYS A 138 9.389 2.112 -5.985 1.00 0.00 O ATOM 2112 CB LYS A 138 8.731 -0.778 -5.188 1.00 0.00 C ATOM 2113 CG LYS A 138 9.827 -0.953 -6.227 1.00 0.00 C ATOM 2114 CD LYS A 138 9.569 -2.160 -7.112 1.00 0.00 C ATOM 2115 CE LYS A 138 10.698 -2.371 -8.109 1.00 0.00 C ATOM 2116 NZ LYS A 138 10.942 -1.164 -8.942 1.00 0.00 N ATOM 0 H LYS A 138 7.349 -0.353 -3.151 1.00 0.00 H new ATOM 0 HA LYS A 138 9.950 0.492 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 138 8.697 -1.665 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 138 7.769 -0.711 -5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 138 9.892 -0.056 -6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 138 10.789 -1.066 -5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 138 9.458 -3.050 -6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 138 8.629 -2.026 -7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 138 11.611 -2.631 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 138 10.457 -3.215 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 11.569 -1.410 -9.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 10.037 -0.810 -9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 11.390 -0.427 -8.362 1.00 0.00 H new ATOM 2130 N GLY A 139 7.515 2.373 -4.773 1.00 0.00 N ATOM 2131 CA GLY A 139 7.150 3.594 -5.442 1.00 0.00 C ATOM 2132 C GLY A 139 7.895 4.798 -4.897 1.00 0.00 C ATOM 2133 O GLY A 139 8.704 5.404 -5.603 1.00 0.00 O ATOM 0 H GLY A 139 6.862 2.069 -4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 139 7.354 3.496 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 139 6.077 3.756 -5.337 1.00 0.00 H new ATOM 2137 N VAL A 140 7.638 5.137 -3.632 1.00 0.00 N ATOM 2138 CA VAL A 140 8.157 6.378 -3.050 1.00 0.00 C ATOM 2139 C VAL A 140 8.526 6.228 -1.570 1.00 0.00 C ATOM 2140 O VAL A 140 8.689 7.224 -0.867 1.00 0.00 O ATOM 2141 CB VAL A 140 7.118 7.516 -3.172 1.00 0.00 C ATOM 2142 CG1 VAL A 140 6.981 7.989 -4.610 1.00 0.00 C ATOM 2143 CG2 VAL A 140 5.768 7.057 -2.637 1.00 0.00 C ATOM 0 H VAL A 140 7.077 4.574 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 140 9.059 6.617 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 140 7.470 8.357 -2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 140 6.243 8.789 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 140 7.943 8.359 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.659 7.158 -5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.045 7.868 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.423 6.197 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 140 5.868 6.777 -1.588 1.00 0.00 H new ATOM 2153 N ALA A 141 8.682 5.002 -1.095 1.00 0.00 N ATOM 2154 CA ALA A 141 8.903 4.780 0.330 1.00 0.00 C ATOM 2155 C ALA A 141 10.206 4.036 0.595 1.00 0.00 C ATOM 2156 O ALA A 141 10.414 2.936 0.092 1.00 0.00 O ATOM 2157 CB ALA A 141 7.729 4.018 0.923 1.00 0.00 C ATOM 0 H ALA A 141 8.661 4.155 -1.663 1.00 0.00 H new ATOM 0 HA ALA A 141 8.983 5.755 0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 141 7.901 3.856 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 141 6.814 4.595 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 141 7.629 3.056 0.421 1.00 0.00 H new ATOM 2163 N LYS A 142 11.090 4.642 1.382 1.00 0.00 N ATOM 2164 CA LYS A 142 12.340 3.985 1.755 1.00 0.00 C ATOM 2165 C LYS A 142 12.941 4.624 3.012 1.00 0.00 C ATOM 2166 O LYS A 142 14.158 4.618 3.203 1.00 0.00 O ATOM 2167 CB LYS A 142 13.328 4.042 0.585 1.00 0.00 C ATOM 2168 CG LYS A 142 14.421 2.988 0.661 1.00 0.00 C ATOM 2169 CD LYS A 142 15.141 2.841 -0.667 1.00 0.00 C ATOM 2170 CE LYS A 142 16.126 1.685 -0.634 1.00 0.00 C ATOM 2171 NZ LYS A 142 15.476 0.412 -0.219 1.00 0.00 N ATOM 0 H LYS A 142 10.967 5.577 1.771 1.00 0.00 H new ATOM 0 HA LYS A 142 12.131 2.940 1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 142 12.780 3.919 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 142 13.788 5.030 0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 142 15.137 3.259 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 142 13.986 2.031 0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 142 14.413 2.679 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 142 15.669 3.765 -0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 142 16.572 1.560 -1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 142 16.938 1.919 0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 16.093 -0.389 -0.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 15.315 0.423 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 14.565 0.311 -0.711 1.00 0.00 H new ATOM 2185 N GLU A 143 12.063 5.145 3.871 1.00 0.00 N ATOM 2186 CA GLU A 143 12.454 5.769 5.140 1.00 0.00 C ATOM 2187 C GLU A 143 13.290 7.031 4.913 1.00 0.00 C ATOM 2188 O GLU A 143 12.754 8.135 4.863 1.00 0.00 O ATOM 2189 CB GLU A 143 13.224 4.778 6.027 1.00 0.00 C ATOM 2190 CG GLU A 143 13.559 5.324 7.407 1.00 0.00 C ATOM 2191 CD GLU A 143 14.549 4.461 8.162 1.00 0.00 C ATOM 2192 OE1 GLU A 143 14.129 3.445 8.757 1.00 0.00 O ATOM 2193 OE2 GLU A 143 15.753 4.796 8.162 1.00 0.00 O ATOM 0 H GLU A 143 11.056 5.147 3.707 1.00 0.00 H new ATOM 0 HA GLU A 143 11.536 6.058 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 143 12.632 3.869 6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 143 14.149 4.496 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 143 13.967 6.330 7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 143 12.642 5.410 7.990 1.00 0.00 H new ATOM 2200 N GLU A 144 14.593 6.844 4.754 1.00 0.00 N ATOM 2201 CA GLU A 144 15.544 7.942 4.616 1.00 0.00 C ATOM 2202 C GLU A 144 16.951 7.377 4.503 1.00 0.00 C ATOM 2203 O GLU A 144 17.843 8.005 3.931 1.00 0.00 O ATOM 2204 CB GLU A 144 15.470 8.907 5.808 1.00 0.00 C ATOM 2205 CG GLU A 144 15.711 8.243 7.154 1.00 0.00 C ATOM 2206 CD GLU A 144 15.836 9.241 8.284 1.00 0.00 C ATOM 2207 OE1 GLU A 144 14.808 9.797 8.718 1.00 0.00 O ATOM 2208 OE2 GLU A 144 16.968 9.468 8.757 1.00 0.00 O ATOM 0 H GLU A 144 15.024 5.920 4.717 1.00 0.00 H new ATOM 0 HA GLU A 144 15.289 8.502 3.716 1.00 0.00 H new ATOM 0 HB2 GLU A 144 16.206 9.699 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 144 14.489 9.381 5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 144 14.891 7.558 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 144 16.620 7.644 7.101 1.00 0.00 H new ATOM 2215 N GLY A 145 17.138 6.184 5.061 1.00 0.00 N ATOM 2216 CA GLY A 145 18.418 5.519 4.984 1.00 0.00 C ATOM 2217 C GLY A 145 18.648 4.877 3.632 1.00 0.00 C ATOM 2218 O GLY A 145 17.931 5.154 2.671 1.00 0.00 O ATOM 0 H GLY A 145 16.419 5.667 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 145 19.212 6.239 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 145 18.477 4.757 5.761 1.00 0.00 H new ATOM 2222 N GLY A 146 19.643 4.010 3.556 1.00 0.00 N ATOM 2223 CA GLY A 146 19.976 3.375 2.302 1.00 0.00 C ATOM 2224 C GLY A 146 21.390 3.692 1.874 1.00 0.00 C ATOM 2225 O GLY A 146 21.986 2.963 1.081 1.00 0.00 O ATOM 0 H GLY A 146 20.228 3.734 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 146 19.858 2.296 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 146 19.280 3.705 1.531 1.00 0.00 H new ATOM 2229 N ASN A 147 21.930 4.782 2.398 1.00 0.00 N ATOM 2230 CA ASN A 147 23.310 5.162 2.117 1.00 0.00 C ATOM 2231 C ASN A 147 24.246 4.470 3.103 1.00 0.00 C ATOM 2232 O ASN A 147 25.304 3.965 2.725 1.00 0.00 O ATOM 2233 CB ASN A 147 23.472 6.683 2.220 1.00 0.00 C ATOM 2234 CG ASN A 147 24.748 7.227 1.586 1.00 0.00 C ATOM 2235 OD1 ASN A 147 24.787 8.385 1.173 1.00 0.00 O ATOM 2236 ND2 ASN A 147 25.793 6.419 1.496 1.00 0.00 N ATOM 0 H ASN A 147 21.435 5.421 3.021 1.00 0.00 H new ATOM 0 HA ASN A 147 23.564 4.851 1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 147 22.614 7.160 1.746 1.00 0.00 H new ATOM 0 HB3 ASN A 147 23.454 6.967 3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 147 26.660 6.752 1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 147 25.731 5.463 1.847 1.00 0.00 H new TER 2243 ASN A 147 HETATM 2244 ZN ZN A 150 -3.751 -14.723 -1.768 1.00 0.00 ZN