USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1058 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 88 HIS : no HE2:sc= -6.82! C(o=-6.3!,f=-26!) USER MOD Set 1.2: A 106 TYR OH : rot 180:sc= 0.546 USER MOD Set 2.1: A 71 HIS : no HD1:sc= -9.31! C(o=-9.3!,f=-13!) USER MOD Set 2.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 61 THR OG1 : rot -5:sc= 0.0325! USER MOD Set 3.2: A 63 LYS NZ :NH3+ -130:sc= 0.555! (180deg=1) USER MOD Set 4.1: A 60 SER OG : rot 178:sc= -1.91 USER MOD Set 4.2: A 72 HIS : no HD1:sc= -7.36! C(o=-9.3!,f=-20!) USER MOD Set 5.1: A 21 ASN : amide:sc= -1.05! C(o=-1.2!,f=-11!) USER MOD Set 5.2: A 115 TYR OH : rot 30:sc= -0.192 USER MOD Set 6.1: A 9 GLN : amide:sc= -1.27! C(o=-3.2!,f=-13!) USER MOD Set 6.2: A 99 GLN :FLIP amide:sc= -1.9 F(o=-5.3,f=-3.2) USER MOD Set 7.1: A 1 GLY N :NH3+ -172:sc= 0 (180deg=-0.0477) USER MOD Set 7.2: A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 112:sc= 1.3 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00543 USER MOD Single : A 12 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.2) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -162:sc= 0 (180deg=-0.581) USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= 0.182 (180deg=0.0636) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= 1.05 (180deg=0.288) USER MOD Single : A 26 SER OG : rot 81:sc= 0.0248 USER MOD Single : A 29 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.23) USER MOD Single : A 30 CYS SG : rot -53:sc= -8.72! USER MOD Single : A 35 THR OG1 : rot -43:sc= 0.606 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -114:sc= -1.6! (180deg=-7.24!) USER MOD Single : A 43 TYR OH : rot -54:sc= 0.632 USER MOD Single : A 48 THR OG1 : rot 123:sc= -2.71! USER MOD Single : A 49 ASN : amide:sc= -0.366 K(o=-0.37,f=-2.1!) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc=-0.00864 (180deg=-0.26) USER MOD Single : A 53 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 55 ASN : amide:sc= -0.438! C(o=-0.44!,f=-17!) USER MOD Single : A 62 LYS NZ :NH3+ -148:sc= 1.54 (180deg=-0.00365!) USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 0.792 (180deg=0.72) USER MOD Single : A 70 THR OG1 : rot 149:sc= 0.822 USER MOD Single : A 74 MET CE :methyl 165:sc= -3.17! (180deg=-3.93!) USER MOD Single : A 77 HIS : +bothHN:sc= -6.53! C(o=-6.5!,f=-14!) USER MOD Single : A 80 SER OG : rot -92:sc= 0.0453! USER MOD Single : A 81 LYS NZ :NH3+ 135:sc= -1.58! (180deg=-2.46!) USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= 0.637! (180deg=0.33) USER MOD Single : A 83 LYS NZ :NH3+ 143:sc= 0.686 (180deg=0.0162!) USER MOD Single : A 92 LYS NZ :NH3+ 141:sc= 0.725 (180deg=-1.48!) USER MOD Single : A 94 SER OG : rot -52:sc= 0.868 USER MOD Single : A 95 LYS NZ :NH3+ -168:sc= 0.619 (180deg=0.0735) USER MOD Single : A 96 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.85) USER MOD Single : A 97 ASN : amide:sc= -1.86! C(o=-1.9!,f=-17!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -5.38! C(o=-5.4!,f=-12!) USER MOD Single : A 105 MET CE :methyl 148:sc= -0.899 (180deg=-3.53!) USER MOD Single : A 113 LYS NZ :NH3+ -163:sc= 0.114 (180deg=-0.597!) USER MOD Single : A 116 TYR OH : rot -122:sc= 0.0249 USER MOD Single : A 119 LYS NZ :NH3+ 175:sc= 0.519! (180deg=0.397!) USER MOD Single : A 121 LYS NZ :NH3+ 155:sc= -0.0385 (180deg=-0.322) USER MOD Single : A 123 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.5) USER MOD Single : A 126 SER OG : rot 180:sc= 0.0789 USER MOD Single : A 127 ASN : amide:sc= -4.47! C(o=-4.5!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.949 5.116 18.973 1.00 0.00 N ATOM 2 CA GLY A 1 0.363 4.188 18.010 1.00 0.00 C ATOM 3 C GLY A 1 1.349 3.091 17.629 1.00 0.00 C ATOM 4 O GLY A 1 0.991 1.916 17.558 1.00 0.00 O ATOM 0 H1 GLY A 1 0.216 5.769 19.316 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.340 4.582 19.776 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.709 5.658 18.515 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.536 3.741 18.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.058 4.732 17.116 1.00 0.00 H new ATOM 8 N ALA A 2 2.603 3.469 17.422 1.00 0.00 N ATOM 9 CA ALA A 2 3.646 2.509 17.054 1.00 0.00 C ATOM 10 C ALA A 2 3.972 1.547 18.199 1.00 0.00 C ATOM 11 O ALA A 2 5.105 1.071 18.313 1.00 0.00 O ATOM 12 CB ALA A 2 4.916 3.238 16.603 1.00 0.00 C ATOM 0 H ALA A 2 2.927 4.433 17.502 1.00 0.00 H new ATOM 0 HA ALA A 2 3.258 1.918 16.225 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.679 2.507 16.334 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.690 3.862 15.738 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.284 3.864 17.416 1.00 0.00 H new ATOM 18 N MET A 3 2.965 1.196 18.989 1.00 0.00 N ATOM 19 CA MET A 3 3.136 0.242 20.085 1.00 0.00 C ATOM 20 C MET A 3 3.271 -1.167 19.523 1.00 0.00 C ATOM 21 O MET A 3 2.529 -2.087 19.905 1.00 0.00 O ATOM 22 CB MET A 3 1.941 0.321 21.047 1.00 0.00 C ATOM 23 CG MET A 3 1.817 1.747 21.587 1.00 0.00 C ATOM 24 SD MET A 3 3.357 2.206 22.419 1.00 0.00 S ATOM 25 CE MET A 3 3.314 3.978 22.028 1.00 0.00 C ATOM 0 H MET A 3 2.016 1.558 18.893 1.00 0.00 H new ATOM 0 HA MET A 3 4.042 0.491 20.638 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.025 0.035 20.531 1.00 0.00 H new ATOM 0 HB3 MET A 3 2.075 -0.381 21.870 1.00 0.00 H new ATOM 0 HG2 MET A 3 1.610 2.440 20.772 1.00 0.00 H new ATOM 0 HG3 MET A 3 0.980 1.814 22.283 1.00 0.00 H new ATOM 0 HE1 MET A 3 4.190 4.466 22.455 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.315 4.112 20.946 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.411 4.421 22.448 1.00 0.00 H new ATOM 35 N GLY A 4 4.120 -1.294 18.517 1.00 0.00 N ATOM 36 CA GLY A 4 4.268 -2.535 17.775 1.00 0.00 C ATOM 37 C GLY A 4 3.387 -2.482 16.543 1.00 0.00 C ATOM 38 O GLY A 4 3.587 -3.227 15.579 1.00 0.00 O ATOM 0 H GLY A 4 4.726 -0.540 18.192 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.309 -2.679 17.487 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.990 -3.383 18.401 1.00 0.00 H new ATOM 42 N SER A 5 2.428 -1.570 16.573 1.00 0.00 N ATOM 43 CA SER A 5 1.481 -1.372 15.488 1.00 0.00 C ATOM 44 C SER A 5 2.139 -0.740 14.268 1.00 0.00 C ATOM 45 O SER A 5 1.596 0.193 13.671 1.00 0.00 O ATOM 46 CB SER A 5 0.324 -0.515 15.989 1.00 0.00 C ATOM 47 OG SER A 5 0.248 -0.642 17.413 1.00 0.00 O ATOM 0 H SER A 5 2.284 -0.939 17.361 1.00 0.00 H new ATOM 0 HA SER A 5 1.106 -2.345 15.171 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.476 0.527 15.709 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.611 -0.835 15.530 1.00 0.00 H new ATOM 0 HG SER A 5 0.488 0.211 17.831 1.00 0.00 H new ATOM 53 N GLY A 6 3.291 -1.260 13.883 1.00 0.00 N ATOM 54 CA GLY A 6 4.002 -0.724 12.738 1.00 0.00 C ATOM 55 C GLY A 6 3.162 -0.833 11.480 1.00 0.00 C ATOM 56 O GLY A 6 2.882 0.169 10.843 1.00 0.00 O ATOM 0 H GLY A 6 3.750 -2.046 14.342 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.258 0.320 12.920 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.940 -1.263 12.602 1.00 0.00 H new ATOM 60 N ASP A 7 2.665 -2.024 11.183 1.00 0.00 N ATOM 61 CA ASP A 7 1.799 -2.201 10.014 1.00 0.00 C ATOM 62 C ASP A 7 0.525 -1.396 10.142 1.00 0.00 C ATOM 63 O ASP A 7 0.110 -0.729 9.194 1.00 0.00 O ATOM 64 CB ASP A 7 1.485 -3.678 9.745 1.00 0.00 C ATOM 65 CG ASP A 7 1.584 -4.492 11.009 1.00 0.00 C ATOM 66 OD1 ASP A 7 2.677 -4.899 11.340 1.00 0.00 O ATOM 67 OD2 ASP A 7 0.579 -4.701 11.630 1.00 0.00 O ATOM 0 H ASP A 7 2.839 -2.873 11.721 1.00 0.00 H new ATOM 0 HA ASP A 7 2.354 -1.824 9.155 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.482 -3.770 9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.178 -4.071 9.001 1.00 0.00 H new ATOM 72 N THR A 8 -0.033 -1.359 11.335 1.00 0.00 N ATOM 73 CA THR A 8 -1.203 -0.534 11.576 1.00 0.00 C ATOM 74 C THR A 8 -0.837 0.924 11.313 1.00 0.00 C ATOM 75 O THR A 8 -1.522 1.636 10.568 1.00 0.00 O ATOM 76 CB THR A 8 -1.649 -0.699 13.032 1.00 0.00 C ATOM 77 OG1 THR A 8 -1.678 -2.084 13.370 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.040 -0.092 13.229 1.00 0.00 C ATOM 0 H THR A 8 0.298 -1.883 12.145 1.00 0.00 H new ATOM 0 HA THR A 8 -2.016 -0.835 10.916 1.00 0.00 H new ATOM 0 HB THR A 8 -0.942 -0.181 13.680 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.962 -2.187 14.302 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.347 -0.215 14.268 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.012 0.969 12.982 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.753 -0.597 12.578 1.00 0.00 H new ATOM 86 N GLN A 9 0.295 1.331 11.861 1.00 0.00 N ATOM 87 CA GLN A 9 0.800 2.666 11.653 1.00 0.00 C ATOM 88 C GLN A 9 1.129 2.881 10.200 1.00 0.00 C ATOM 89 O GLN A 9 0.712 3.865 9.597 1.00 0.00 O ATOM 90 CB GLN A 9 2.061 2.871 12.493 1.00 0.00 C ATOM 91 CG GLN A 9 1.679 3.371 13.878 1.00 0.00 C ATOM 92 CD GLN A 9 1.671 4.892 13.864 1.00 0.00 C ATOM 93 OE1 GLN A 9 2.617 5.524 14.334 1.00 0.00 O ATOM 94 NE2 GLN A 9 0.698 5.525 13.295 1.00 0.00 N ATOM 0 H GLN A 9 0.882 0.747 12.457 1.00 0.00 H new ATOM 0 HA GLN A 9 0.035 3.382 11.953 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.612 1.934 12.573 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.721 3.589 12.006 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.697 2.991 14.159 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.387 3.004 14.621 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.088 5.006 12.904 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.717 6.543 13.237 1.00 0.00 H new ATOM 103 N LEU A 10 1.859 1.951 9.634 1.00 0.00 N ATOM 104 CA LEU A 10 2.264 2.068 8.260 1.00 0.00 C ATOM 105 C LEU A 10 1.065 2.070 7.347 1.00 0.00 C ATOM 106 O LEU A 10 1.006 2.848 6.411 1.00 0.00 O ATOM 107 CB LEU A 10 3.265 0.992 7.862 1.00 0.00 C ATOM 108 CG LEU A 10 4.594 1.193 8.622 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.651 0.257 8.058 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.078 2.650 8.522 1.00 0.00 C ATOM 0 H LEU A 10 2.183 1.107 10.105 1.00 0.00 H new ATOM 0 HA LEU A 10 2.775 3.025 8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.857 0.006 8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.443 1.030 6.787 1.00 0.00 H new ATOM 0 HG LEU A 10 4.425 0.965 9.674 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.588 0.400 8.596 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.321 -0.776 8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.802 0.474 7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.016 2.760 9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.234 2.911 7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.328 3.313 8.953 1.00 0.00 H new ATOM 122 N PHE A 11 0.082 1.246 7.655 1.00 0.00 N ATOM 123 CA PHE A 11 -1.143 1.233 6.874 1.00 0.00 C ATOM 124 C PHE A 11 -1.771 2.609 6.876 1.00 0.00 C ATOM 125 O PHE A 11 -2.044 3.178 5.821 1.00 0.00 O ATOM 126 CB PHE A 11 -2.130 0.226 7.475 1.00 0.00 C ATOM 127 CG PHE A 11 -3.506 0.434 6.871 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.823 -0.096 5.615 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.463 1.175 7.578 1.00 0.00 C ATOM 130 CE1 PHE A 11 -5.095 0.117 5.071 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.730 1.383 7.032 1.00 0.00 C ATOM 132 CZ PHE A 11 -6.047 0.856 5.783 1.00 0.00 C ATOM 0 H PHE A 11 0.105 0.584 8.430 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.905 0.945 5.850 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.788 -0.791 7.283 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.175 0.348 8.557 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.088 -0.668 5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.219 1.586 8.547 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.342 -0.289 4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.466 1.954 7.579 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.029 1.018 5.363 1.00 0.00 H new ATOM 142 N ASN A 12 -1.916 3.179 8.056 1.00 0.00 N ATOM 143 CA ASN A 12 -2.487 4.511 8.178 1.00 0.00 C ATOM 144 C ASN A 12 -1.615 5.509 7.467 1.00 0.00 C ATOM 145 O ASN A 12 -2.091 6.368 6.726 1.00 0.00 O ATOM 146 CB ASN A 12 -2.574 4.897 9.652 1.00 0.00 C ATOM 147 CG ASN A 12 -3.740 4.185 10.306 1.00 0.00 C ATOM 148 OD1 ASN A 12 -4.873 4.268 9.818 1.00 0.00 O ATOM 149 ND2 ASN A 12 -3.534 3.462 11.360 1.00 0.00 N ATOM 0 H ASN A 12 -1.649 2.746 8.940 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.482 4.510 7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.646 4.635 10.160 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.696 5.976 9.747 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.308 2.958 11.792 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.597 3.397 11.759 1.00 0.00 H new ATOM 156 N ARG A 13 -0.336 5.383 7.685 1.00 0.00 N ATOM 157 CA ARG A 13 0.627 6.268 7.078 1.00 0.00 C ATOM 158 C ARG A 13 0.627 6.070 5.568 1.00 0.00 C ATOM 159 O ARG A 13 0.476 7.023 4.806 1.00 0.00 O ATOM 160 CB ARG A 13 1.984 5.922 7.668 1.00 0.00 C ATOM 161 CG ARG A 13 1.971 6.324 9.149 1.00 0.00 C ATOM 162 CD ARG A 13 3.174 5.727 9.868 1.00 0.00 C ATOM 163 NE ARG A 13 3.130 6.048 11.295 1.00 0.00 N ATOM 164 CZ ARG A 13 3.679 7.147 11.802 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.217 8.034 11.014 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.660 7.336 13.082 1.00 0.00 N ATOM 0 H ARG A 13 0.071 4.667 8.286 1.00 0.00 H new ATOM 0 HA ARG A 13 0.385 7.313 7.274 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.185 4.856 7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.777 6.449 7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.987 7.410 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.050 5.979 9.619 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.186 4.645 9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.095 6.113 9.431 1.00 0.00 H new ATOM 0 HE ARG A 13 2.658 5.401 11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.218 7.886 10.005 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.638 8.876 11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.226 6.644 13.693 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.079 8.177 13.480 1.00 0.00 H new ATOM 180 N ALA A 14 0.656 4.813 5.148 1.00 0.00 N ATOM 181 CA ALA A 14 0.606 4.471 3.732 1.00 0.00 C ATOM 182 C ALA A 14 -0.698 4.914 3.115 1.00 0.00 C ATOM 183 O ALA A 14 -0.709 5.579 2.074 1.00 0.00 O ATOM 184 CB ALA A 14 0.778 2.965 3.534 1.00 0.00 C ATOM 0 H ALA A 14 0.714 4.008 5.772 1.00 0.00 H new ATOM 0 HA ALA A 14 1.425 4.993 3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.738 2.731 2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.741 2.653 3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.022 2.436 4.052 1.00 0.00 H new ATOM 190 N VAL A 15 -1.801 4.562 3.759 1.00 0.00 N ATOM 191 CA VAL A 15 -3.097 4.927 3.243 1.00 0.00 C ATOM 192 C VAL A 15 -3.234 6.446 3.222 1.00 0.00 C ATOM 193 O VAL A 15 -3.715 7.028 2.243 1.00 0.00 O ATOM 194 CB VAL A 15 -4.236 4.257 4.054 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.685 5.137 5.224 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.428 3.978 3.137 1.00 0.00 C ATOM 0 H VAL A 15 -1.818 4.030 4.629 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.185 4.561 2.220 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.853 3.321 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.484 4.636 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.842 5.311 5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.049 6.091 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.226 3.507 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.789 4.916 2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.119 3.312 2.331 1.00 0.00 H new ATOM 206 N SER A 16 -2.709 7.099 4.253 1.00 0.00 N ATOM 207 CA SER A 16 -2.745 8.536 4.303 1.00 0.00 C ATOM 208 C SER A 16 -1.973 9.115 3.131 1.00 0.00 C ATOM 209 O SER A 16 -2.445 10.038 2.462 1.00 0.00 O ATOM 210 CB SER A 16 -2.173 9.046 5.638 1.00 0.00 C ATOM 211 OG SER A 16 -2.253 10.477 5.684 1.00 0.00 O ATOM 0 H SER A 16 -2.260 6.652 5.052 1.00 0.00 H new ATOM 0 HA SER A 16 -3.782 8.864 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.728 8.614 6.471 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.136 8.727 5.746 1.00 0.00 H new ATOM 0 HG SER A 16 -1.889 10.798 6.536 1.00 0.00 H new ATOM 217 N MET A 17 -0.791 8.578 2.870 1.00 0.00 N ATOM 218 CA MET A 17 0.002 9.085 1.773 1.00 0.00 C ATOM 219 C MET A 17 -0.670 8.826 0.417 1.00 0.00 C ATOM 220 O MET A 17 -0.676 9.693 -0.454 1.00 0.00 O ATOM 221 CB MET A 17 1.427 8.520 1.785 1.00 0.00 C ATOM 222 CG MET A 17 2.146 8.944 3.075 1.00 0.00 C ATOM 223 SD MET A 17 3.922 8.551 2.957 1.00 0.00 S ATOM 224 CE MET A 17 3.817 6.764 3.254 1.00 0.00 C ATOM 0 H MET A 17 -0.371 7.809 3.392 1.00 0.00 H new ATOM 0 HA MET A 17 0.071 10.164 1.914 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.397 7.433 1.715 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.978 8.880 0.916 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.012 10.013 3.241 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.708 8.431 3.931 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.798 6.384 3.538 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.106 6.570 4.057 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.483 6.263 2.345 1.00 0.00 H new ATOM 234 N VAL A 18 -1.206 7.616 0.228 1.00 0.00 N ATOM 235 CA VAL A 18 -1.823 7.265 -1.053 1.00 0.00 C ATOM 236 C VAL A 18 -3.171 7.952 -1.279 1.00 0.00 C ATOM 237 O VAL A 18 -3.422 8.484 -2.362 1.00 0.00 O ATOM 238 CB VAL A 18 -1.943 5.743 -1.234 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.555 5.103 -1.156 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.830 5.160 -0.142 1.00 0.00 C ATOM 0 H VAL A 18 -1.225 6.877 0.931 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.146 7.644 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.386 5.535 -2.208 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.644 4.024 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.079 5.511 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.110 5.317 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.911 4.081 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.393 5.373 0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.822 5.608 -0.201 1.00 0.00 H new ATOM 250 N GLU A 19 -4.035 7.961 -0.261 1.00 0.00 N ATOM 251 CA GLU A 19 -5.359 8.563 -0.418 1.00 0.00 C ATOM 252 C GLU A 19 -5.211 10.033 -0.741 1.00 0.00 C ATOM 253 O GLU A 19 -6.141 10.672 -1.254 1.00 0.00 O ATOM 254 CB GLU A 19 -6.171 8.472 0.866 1.00 0.00 C ATOM 255 CG GLU A 19 -6.554 7.038 1.223 1.00 0.00 C ATOM 256 CD GLU A 19 -7.364 7.066 2.519 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.535 8.155 3.075 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.813 6.028 2.941 1.00 0.00 O ATOM 0 H GLU A 19 -3.847 7.567 0.661 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.867 8.021 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.597 8.905 1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.076 9.070 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.139 6.590 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.661 6.426 1.347 1.00 0.00 H new ATOM 265 N LYS A 20 -4.179 10.617 -0.179 1.00 0.00 N ATOM 266 CA LYS A 20 -4.013 12.047 -0.216 1.00 0.00 C ATOM 267 C LYS A 20 -3.085 12.473 -1.347 1.00 0.00 C ATOM 268 O LYS A 20 -2.882 13.670 -1.576 1.00 0.00 O ATOM 269 CB LYS A 20 -3.531 12.547 1.148 1.00 0.00 C ATOM 270 CG LYS A 20 -4.493 12.002 2.238 1.00 0.00 C ATOM 271 CD LYS A 20 -5.914 12.561 2.035 1.00 0.00 C ATOM 272 CE LYS A 20 -6.944 11.407 2.003 1.00 0.00 C ATOM 273 NZ LYS A 20 -6.859 10.579 3.240 1.00 0.00 N ATOM 0 H LYS A 20 -3.438 10.118 0.312 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.978 12.509 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.512 12.208 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.514 13.637 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.516 10.913 2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.125 12.278 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.158 13.254 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.961 13.126 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.950 11.815 1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.766 10.780 1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.420 9.712 3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.867 10.326 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.231 11.120 4.046 1.00 0.00 H new ATOM 287 N ASN A 21 -2.597 11.499 -2.116 1.00 0.00 N ATOM 288 CA ASN A 21 -1.779 11.804 -3.291 1.00 0.00 C ATOM 289 C ASN A 21 -2.675 12.182 -4.460 1.00 0.00 C ATOM 290 O ASN A 21 -3.490 11.381 -4.912 1.00 0.00 O ATOM 291 CB ASN A 21 -0.900 10.623 -3.685 1.00 0.00 C ATOM 292 CG ASN A 21 -0.009 11.041 -4.838 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.431 10.983 -5.987 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.191 11.475 -4.602 1.00 0.00 N ATOM 0 H ASN A 21 -2.751 10.504 -1.950 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.129 12.640 -3.035 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.295 10.303 -2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.518 9.773 -3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.788 11.770 -5.375 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.537 11.521 -3.644 1.00 0.00 H new ATOM 301 N LYS A 22 -2.545 13.413 -4.916 1.00 0.00 N ATOM 302 CA LYS A 22 -3.401 13.952 -5.969 1.00 0.00 C ATOM 303 C LYS A 22 -3.431 13.040 -7.179 1.00 0.00 C ATOM 304 O LYS A 22 -4.487 12.811 -7.779 1.00 0.00 O ATOM 305 CB LYS A 22 -2.935 15.371 -6.368 1.00 0.00 C ATOM 306 CG LYS A 22 -1.527 15.351 -7.029 1.00 0.00 C ATOM 307 CD LYS A 22 -0.463 14.838 -6.035 1.00 0.00 C ATOM 308 CE LYS A 22 0.948 15.286 -6.464 1.00 0.00 C ATOM 309 NZ LYS A 22 1.091 15.246 -7.947 1.00 0.00 N ATOM 0 H LYS A 22 -1.846 14.071 -4.571 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.416 14.014 -5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.655 15.809 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.913 16.008 -5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.544 14.713 -7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.264 16.354 -7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.681 15.215 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.503 13.750 -5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.138 16.297 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.695 14.638 -6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.099 15.284 -8.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.675 14.365 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.599 16.061 -8.365 1.00 0.00 H new ATOM 323 N ASP A 23 -2.278 12.529 -7.540 1.00 0.00 N ATOM 324 CA ASP A 23 -2.176 11.637 -8.666 1.00 0.00 C ATOM 325 C ASP A 23 -2.910 10.344 -8.412 1.00 0.00 C ATOM 326 O ASP A 23 -3.712 9.903 -9.244 1.00 0.00 O ATOM 327 CB ASP A 23 -0.719 11.383 -8.996 1.00 0.00 C ATOM 328 CG ASP A 23 -0.229 12.471 -9.899 1.00 0.00 C ATOM 329 OD1 ASP A 23 -0.544 12.431 -11.072 1.00 0.00 O ATOM 330 OD2 ASP A 23 0.439 13.353 -9.412 1.00 0.00 O ATOM 0 H ASP A 23 -1.394 12.718 -7.067 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.650 12.112 -9.525 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.125 11.355 -8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.606 10.413 -9.479 1.00 0.00 H new ATOM 335 N ILE A 24 -2.696 9.775 -7.245 1.00 0.00 N ATOM 336 CA ILE A 24 -3.411 8.574 -6.854 1.00 0.00 C ATOM 337 C ILE A 24 -4.895 8.878 -6.734 1.00 0.00 C ATOM 338 O ILE A 24 -5.738 8.094 -7.156 1.00 0.00 O ATOM 339 CB ILE A 24 -2.873 7.995 -5.540 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.446 7.481 -5.743 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.752 6.817 -5.111 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.829 7.152 -4.386 1.00 0.00 C ATOM 0 H ILE A 24 -2.035 10.122 -6.550 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.257 7.821 -7.627 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.881 8.775 -4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.454 6.594 -6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.846 8.233 -6.255 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.373 6.402 -4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.776 7.161 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.733 6.048 -5.884 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.188 6.786 -4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.808 8.050 -3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.425 6.385 -3.891 1.00 0.00 H new ATOM 354 N ARG A 25 -5.212 10.016 -6.136 1.00 0.00 N ATOM 355 CA ARG A 25 -6.605 10.385 -5.922 1.00 0.00 C ATOM 356 C ARG A 25 -7.363 10.380 -7.226 1.00 0.00 C ATOM 357 O ARG A 25 -8.457 9.806 -7.316 1.00 0.00 O ATOM 358 CB ARG A 25 -6.692 11.768 -5.284 1.00 0.00 C ATOM 359 CG ARG A 25 -6.263 11.670 -3.822 1.00 0.00 C ATOM 360 CD ARG A 25 -6.285 13.053 -3.174 1.00 0.00 C ATOM 361 NE ARG A 25 -7.650 13.565 -3.115 1.00 0.00 N ATOM 362 CZ ARG A 25 -8.483 13.204 -2.141 1.00 0.00 C ATOM 363 NH1 ARG A 25 -8.131 12.250 -1.315 1.00 0.00 N ATOM 364 NH2 ARG A 25 -9.657 13.770 -2.038 1.00 0.00 N ATOM 0 H ARG A 25 -4.532 10.695 -5.793 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.053 9.651 -5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.051 12.470 -5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.710 12.151 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.930 10.997 -3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.261 11.245 -3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.867 12.997 -2.169 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.657 13.738 -3.743 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.973 14.212 -3.834 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.226 11.791 -1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.762 11.966 -0.565 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.936 14.490 -2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.294 13.492 -1.291 1.00 0.00 H new ATOM 378 N SER A 26 -6.745 10.912 -8.253 1.00 0.00 N ATOM 379 CA SER A 26 -7.322 10.853 -9.569 1.00 0.00 C ATOM 380 C SER A 26 -7.499 9.392 -9.995 1.00 0.00 C ATOM 381 O SER A 26 -8.574 8.997 -10.466 1.00 0.00 O ATOM 382 CB SER A 26 -6.447 11.609 -10.552 1.00 0.00 C ATOM 383 OG SER A 26 -6.530 13.010 -10.283 1.00 0.00 O ATOM 0 H SER A 26 -5.845 11.389 -8.201 1.00 0.00 H new ATOM 0 HA SER A 26 -8.304 11.325 -9.557 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.414 11.272 -10.469 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.768 11.404 -11.573 1.00 0.00 H new ATOM 0 HG SER A 26 -5.940 13.235 -9.534 1.00 0.00 H new ATOM 389 N LEU A 27 -6.488 8.567 -9.716 1.00 0.00 N ATOM 390 CA LEU A 27 -6.579 7.133 -9.985 1.00 0.00 C ATOM 391 C LEU A 27 -7.685 6.522 -9.139 1.00 0.00 C ATOM 392 O LEU A 27 -8.485 5.721 -9.623 1.00 0.00 O ATOM 393 CB LEU A 27 -5.245 6.424 -9.690 1.00 0.00 C ATOM 394 CG LEU A 27 -4.166 6.892 -10.679 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.816 6.280 -10.290 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.533 6.456 -12.102 1.00 0.00 C ATOM 0 H LEU A 27 -5.603 8.866 -9.307 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.808 6.999 -11.042 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.930 6.637 -8.669 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.374 5.344 -9.765 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.099 7.979 -10.645 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.050 6.612 -10.991 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.548 6.599 -9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.888 5.193 -10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.762 6.792 -12.796 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.608 5.369 -12.142 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.490 6.896 -12.382 1.00 0.00 H new ATOM 408 N LEU A 28 -7.773 6.968 -7.891 1.00 0.00 N ATOM 409 CA LEU A 28 -8.816 6.506 -6.983 1.00 0.00 C ATOM 410 C LEU A 28 -10.133 7.167 -7.337 1.00 0.00 C ATOM 411 O LEU A 28 -11.142 6.984 -6.641 1.00 0.00 O ATOM 412 CB LEU A 28 -8.469 6.826 -5.516 1.00 0.00 C ATOM 413 CG LEU A 28 -7.185 6.099 -5.090 1.00 0.00 C ATOM 414 CD1 LEU A 28 -6.849 6.466 -3.635 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.371 4.580 -5.205 1.00 0.00 C ATOM 0 H LEU A 28 -7.133 7.650 -7.484 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.897 5.424 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.341 7.902 -5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.294 6.527 -4.869 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.370 6.406 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.938 5.951 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.700 7.543 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.670 6.165 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.453 4.077 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.190 4.264 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.602 4.319 -6.238 1.00 0.00 H new ATOM 427 N GLN A 29 -10.119 7.962 -8.400 1.00 0.00 N ATOM 428 CA GLN A 29 -11.304 8.673 -8.841 1.00 0.00 C ATOM 429 C GLN A 29 -11.837 9.525 -7.688 1.00 0.00 C ATOM 430 O GLN A 29 -13.025 9.816 -7.605 1.00 0.00 O ATOM 431 CB GLN A 29 -12.381 7.666 -9.300 1.00 0.00 C ATOM 432 CG GLN A 29 -11.799 6.687 -10.336 1.00 0.00 C ATOM 433 CD GLN A 29 -11.310 7.437 -11.562 1.00 0.00 C ATOM 434 OE1 GLN A 29 -12.028 8.282 -12.096 1.00 0.00 O ATOM 435 NE2 GLN A 29 -10.136 7.189 -12.039 1.00 0.00 N ATOM 0 H GLN A 29 -9.292 8.129 -8.973 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.051 9.320 -9.681 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.759 7.112 -8.441 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.227 8.201 -9.732 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.976 6.127 -9.893 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.559 5.961 -10.626 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.543 6.488 -11.595 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.802 7.694 -12.860 1.00 0.00 H new ATOM 444 N CYS A 30 -10.951 9.875 -6.778 1.00 0.00 N ATOM 445 CA CYS A 30 -11.293 10.623 -5.571 1.00 0.00 C ATOM 446 C CYS A 30 -11.845 12.007 -5.875 1.00 0.00 C ATOM 447 O CYS A 30 -11.824 12.887 -5.016 1.00 0.00 O ATOM 448 CB CYS A 30 -10.084 10.738 -4.642 1.00 0.00 C ATOM 449 SG CYS A 30 -10.653 10.993 -2.945 1.00 0.00 S ATOM 0 H CYS A 30 -9.959 9.648 -6.851 1.00 0.00 H new ATOM 0 HA CYS A 30 -12.081 10.059 -5.072 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.478 9.834 -4.702 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.450 11.568 -4.953 1.00 0.00 H new ATOM 0 HG CYS A 30 -11.478 11.997 -2.910 1.00 0.00 H new ATOM 455 N ASP A 31 -12.421 12.174 -7.043 1.00 0.00 N ATOM 456 CA ASP A 31 -13.069 13.420 -7.376 1.00 0.00 C ATOM 457 C ASP A 31 -14.291 13.570 -6.502 1.00 0.00 C ATOM 458 O ASP A 31 -15.010 12.582 -6.260 1.00 0.00 O ATOM 459 CB ASP A 31 -13.489 13.427 -8.841 1.00 0.00 C ATOM 460 CG ASP A 31 -14.039 14.792 -9.210 1.00 0.00 C ATOM 461 OD1 ASP A 31 -13.254 15.633 -9.590 1.00 0.00 O ATOM 462 OD2 ASP A 31 -15.234 14.990 -9.085 1.00 0.00 O ATOM 0 H ASP A 31 -12.454 11.465 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.377 14.246 -7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.636 13.185 -9.475 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.244 12.661 -9.016 1.00 0.00 H new ATOM 467 N ASP A 32 -14.510 14.760 -5.990 1.00 0.00 N ATOM 468 CA ASP A 32 -15.656 15.002 -5.132 1.00 0.00 C ATOM 469 C ASP A 32 -16.793 15.571 -5.935 1.00 0.00 C ATOM 470 O ASP A 32 -16.698 16.682 -6.460 1.00 0.00 O ATOM 471 CB ASP A 32 -15.300 15.954 -3.978 1.00 0.00 C ATOM 472 CG ASP A 32 -14.432 15.260 -2.940 1.00 0.00 C ATOM 473 OD1 ASP A 32 -14.238 14.067 -3.040 1.00 0.00 O ATOM 474 OD2 ASP A 32 -13.967 15.929 -2.050 1.00 0.00 O ATOM 0 H ASP A 32 -13.916 15.573 -6.149 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.960 14.048 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.776 16.825 -4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.214 16.317 -3.508 1.00 0.00 H new ATOM 479 N GLY A 33 -17.871 14.825 -6.028 1.00 0.00 N ATOM 480 CA GLY A 33 -19.034 15.279 -6.758 1.00 0.00 C ATOM 481 C GLY A 33 -19.179 14.567 -8.091 1.00 0.00 C ATOM 482 O GLY A 33 -20.265 14.552 -8.661 1.00 0.00 O ATOM 0 H GLY A 33 -17.967 13.901 -5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.928 15.111 -6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.960 16.353 -6.926 1.00 0.00 H new ATOM 486 N ILE A 34 -18.117 13.903 -8.559 1.00 0.00 N ATOM 487 CA ILE A 34 -18.215 13.158 -9.816 1.00 0.00 C ATOM 488 C ILE A 34 -19.350 12.158 -9.728 1.00 0.00 C ATOM 489 O ILE A 34 -20.231 12.113 -10.587 1.00 0.00 O ATOM 490 CB ILE A 34 -16.900 12.439 -10.129 1.00 0.00 C ATOM 491 CG1 ILE A 34 -17.085 11.569 -11.376 1.00 0.00 C ATOM 492 CG2 ILE A 34 -16.462 11.565 -8.948 1.00 0.00 C ATOM 493 CD1 ILE A 34 -15.741 11.040 -11.819 1.00 0.00 C ATOM 0 H ILE A 34 -17.206 13.866 -8.102 1.00 0.00 H new ATOM 0 HA ILE A 34 -18.415 13.862 -10.624 1.00 0.00 H new ATOM 0 HB ILE A 34 -16.126 13.185 -10.308 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -17.761 10.742 -11.159 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -17.541 12.152 -12.176 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -15.526 11.064 -9.194 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -16.319 12.190 -8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.230 10.819 -8.743 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -15.869 10.420 -12.706 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.080 11.875 -12.051 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.303 10.443 -11.019 1.00 0.00 H new ATOM 505 N THR A 35 -19.423 11.513 -8.592 1.00 0.00 N ATOM 506 CA THR A 35 -20.544 10.686 -8.246 1.00 0.00 C ATOM 507 C THR A 35 -20.836 10.907 -6.767 1.00 0.00 C ATOM 508 O THR A 35 -20.752 9.984 -5.948 1.00 0.00 O ATOM 509 CB THR A 35 -20.313 9.179 -8.634 1.00 0.00 C ATOM 510 OG1 THR A 35 -20.512 8.295 -7.524 1.00 0.00 O ATOM 511 CG2 THR A 35 -18.905 8.966 -9.195 1.00 0.00 C ATOM 0 H THR A 35 -18.697 11.549 -7.876 1.00 0.00 H new ATOM 0 HA THR A 35 -21.424 10.969 -8.823 1.00 0.00 H new ATOM 0 HB THR A 35 -21.053 8.943 -9.398 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.089 8.673 -6.725 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.772 7.916 -9.455 1.00 0.00 H new ATOM 0 HG22 THR A 35 -18.771 9.580 -10.086 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.167 9.250 -8.444 1.00 0.00 H new ATOM 519 N GLY A 36 -20.921 12.180 -6.397 1.00 0.00 N ATOM 520 CA GLY A 36 -20.957 12.553 -5.004 1.00 0.00 C ATOM 521 C GLY A 36 -19.544 12.522 -4.460 1.00 0.00 C ATOM 522 O GLY A 36 -18.577 12.544 -5.237 1.00 0.00 O ATOM 0 H GLY A 36 -20.966 12.964 -7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -21.385 13.549 -4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -21.593 11.867 -4.445 1.00 0.00 H new ATOM 526 N LYS A 37 -19.409 12.399 -3.158 1.00 0.00 N ATOM 527 CA LYS A 37 -18.096 12.271 -2.552 1.00 0.00 C ATOM 528 C LYS A 37 -17.946 10.890 -1.970 1.00 0.00 C ATOM 529 O LYS A 37 -18.752 10.470 -1.149 1.00 0.00 O ATOM 530 CB LYS A 37 -17.899 13.313 -1.451 1.00 0.00 C ATOM 531 CG LYS A 37 -17.945 14.726 -2.053 1.00 0.00 C ATOM 532 CD LYS A 37 -19.400 15.219 -2.162 1.00 0.00 C ATOM 533 CE LYS A 37 -20.001 15.417 -0.761 1.00 0.00 C ATOM 534 NZ LYS A 37 -19.668 16.778 -0.268 1.00 0.00 N ATOM 0 H LYS A 37 -20.187 12.385 -2.498 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.341 12.435 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.676 13.206 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.943 13.152 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.368 15.411 -1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.481 14.723 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.433 16.157 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.995 14.498 -2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.082 15.285 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.610 14.665 -0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.074 16.913 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.635 16.887 -0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.062 17.488 -0.918 1.00 0.00 H new ATOM 548 N GLU A 38 -16.904 10.202 -2.360 1.00 0.00 N ATOM 549 CA GLU A 38 -16.646 8.877 -1.849 1.00 0.00 C ATOM 550 C GLU A 38 -15.877 8.966 -0.560 1.00 0.00 C ATOM 551 O GLU A 38 -15.031 9.853 -0.392 1.00 0.00 O ATOM 552 CB GLU A 38 -15.878 8.042 -2.888 1.00 0.00 C ATOM 553 CG GLU A 38 -15.472 6.679 -2.314 1.00 0.00 C ATOM 554 CD GLU A 38 -16.700 5.875 -1.974 1.00 0.00 C ATOM 555 OE1 GLU A 38 -17.182 5.171 -2.831 1.00 0.00 O ATOM 556 OE2 GLU A 38 -17.148 5.977 -0.860 1.00 0.00 O ATOM 0 H GLU A 38 -16.216 10.538 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 38 -17.596 8.381 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.499 7.897 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.988 8.584 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.862 6.138 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.861 6.818 -1.423 1.00 0.00 H new ATOM 563 N ARG A 39 -16.062 7.979 0.283 1.00 0.00 N ATOM 564 CA ARG A 39 -15.265 7.852 1.473 1.00 0.00 C ATOM 565 C ARG A 39 -14.292 6.723 1.221 1.00 0.00 C ATOM 566 O ARG A 39 -14.641 5.548 1.377 1.00 0.00 O ATOM 567 CB ARG A 39 -16.147 7.502 2.685 1.00 0.00 C ATOM 568 CG ARG A 39 -17.317 8.489 2.817 1.00 0.00 C ATOM 569 CD ARG A 39 -16.802 9.912 3.080 1.00 0.00 C ATOM 570 NE ARG A 39 -17.924 10.806 3.369 1.00 0.00 N ATOM 571 CZ ARG A 39 -18.647 11.380 2.405 1.00 0.00 C ATOM 572 NH1 ARG A 39 -18.414 11.079 1.162 1.00 0.00 N ATOM 573 NH2 ARG A 39 -19.600 12.213 2.713 1.00 0.00 N ATOM 0 H ARG A 39 -16.764 7.248 0.163 1.00 0.00 H new ATOM 0 HA ARG A 39 -14.753 8.789 1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.532 6.488 2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -15.546 7.521 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.914 8.476 1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -17.971 8.178 3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -16.106 9.906 3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -16.252 10.275 2.212 1.00 0.00 H new ATOM 0 HE ARG A 39 -18.162 10.997 4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -17.682 10.408 0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -18.963 11.514 0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -19.794 12.427 3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -20.152 12.651 1.976 1.00 0.00 H new ATOM 587 N LEU A 40 -13.117 7.060 0.710 1.00 0.00 N ATOM 588 CA LEU A 40 -12.190 6.038 0.245 1.00 0.00 C ATOM 589 C LEU A 40 -11.997 4.992 1.314 1.00 0.00 C ATOM 590 O LEU A 40 -11.878 5.312 2.503 1.00 0.00 O ATOM 591 CB LEU A 40 -10.824 6.657 -0.094 1.00 0.00 C ATOM 592 CG LEU A 40 -10.998 7.862 -1.034 1.00 0.00 C ATOM 593 CD1 LEU A 40 -11.114 9.155 -0.211 1.00 0.00 C ATOM 594 CD2 LEU A 40 -9.779 7.958 -1.955 1.00 0.00 C ATOM 0 H LEU A 40 -12.786 8.019 0.607 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.611 5.582 -0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.323 6.972 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.186 5.909 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.904 7.731 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.237 10.004 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.977 9.088 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.210 9.290 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.895 8.810 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.879 8.088 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.694 7.044 -2.543 1.00 0.00 H new ATOM 606 N LYS A 41 -12.042 3.744 0.907 1.00 0.00 N ATOM 607 CA LYS A 41 -11.913 2.641 1.835 1.00 0.00 C ATOM 608 C LYS A 41 -10.612 1.955 1.606 1.00 0.00 C ATOM 609 O LYS A 41 -10.196 1.812 0.466 1.00 0.00 O ATOM 610 CB LYS A 41 -13.071 1.643 1.662 1.00 0.00 C ATOM 611 CG LYS A 41 -14.407 2.323 1.993 1.00 0.00 C ATOM 612 CD LYS A 41 -14.707 2.217 3.503 1.00 0.00 C ATOM 613 CE LYS A 41 -13.865 3.222 4.309 1.00 0.00 C ATOM 614 NZ LYS A 41 -13.843 4.555 3.629 1.00 0.00 N ATOM 0 H LYS A 41 -12.168 3.465 -0.066 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.949 3.030 2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.089 1.268 0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.920 0.783 2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.372 3.371 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.210 1.857 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.767 2.402 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.498 1.204 3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.276 3.327 5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.848 2.847 4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.877 4.764 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.486 4.538 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.151 5.290 4.297 1.00 0.00 H new ATOM 628 N ALA A 42 -9.999 1.486 2.677 1.00 0.00 N ATOM 629 CA ALA A 42 -8.760 0.752 2.577 1.00 0.00 C ATOM 630 C ALA A 42 -8.718 -0.356 3.605 1.00 0.00 C ATOM 631 O ALA A 42 -9.028 -0.138 4.783 1.00 0.00 O ATOM 632 CB ALA A 42 -7.564 1.679 2.745 1.00 0.00 C ATOM 0 H ALA A 42 -10.345 1.603 3.629 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.708 0.307 1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.643 1.102 2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.583 2.442 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.609 2.158 3.723 1.00 0.00 H new ATOM 638 N TYR A 43 -8.414 -1.550 3.148 1.00 0.00 N ATOM 639 CA TYR A 43 -8.416 -2.719 4.002 1.00 0.00 C ATOM 640 C TYR A 43 -7.578 -3.842 3.405 1.00 0.00 C ATOM 641 O TYR A 43 -7.188 -3.781 2.230 1.00 0.00 O ATOM 642 CB TYR A 43 -9.855 -3.173 4.273 1.00 0.00 C ATOM 643 CG TYR A 43 -10.614 -3.284 2.968 1.00 0.00 C ATOM 644 CD1 TYR A 43 -11.164 -2.140 2.374 1.00 0.00 C ATOM 645 CD2 TYR A 43 -10.762 -4.519 2.354 1.00 0.00 C ATOM 646 CE1 TYR A 43 -11.864 -2.242 1.171 1.00 0.00 C ATOM 647 CE2 TYR A 43 -11.459 -4.629 1.155 1.00 0.00 C ATOM 648 CZ TYR A 43 -12.014 -3.489 0.558 1.00 0.00 C ATOM 649 OH TYR A 43 -12.713 -3.597 -0.628 1.00 0.00 O ATOM 0 H TYR A 43 -8.159 -1.739 2.179 1.00 0.00 H new ATOM 0 HA TYR A 43 -7.958 -2.452 4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.852 -4.135 4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.352 -2.462 4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.046 -1.177 2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.334 -5.400 2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -12.289 -1.360 0.715 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.573 -5.594 0.684 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.602 -3.198 -0.521 1.00 0.00 H new ATOM 659 N GLY A 44 -7.312 -4.878 4.193 1.00 0.00 N ATOM 660 CA GLY A 44 -6.582 -6.014 3.696 1.00 0.00 C ATOM 661 C GLY A 44 -7.338 -6.577 2.526 1.00 0.00 C ATOM 662 O GLY A 44 -8.535 -6.356 2.404 1.00 0.00 O ATOM 0 H GLY A 44 -7.593 -4.945 5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.577 -5.719 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.472 -6.767 4.476 1.00 0.00 H new ATOM 666 N GLU A 45 -6.650 -7.251 1.653 1.00 0.00 N ATOM 667 CA GLU A 45 -7.265 -7.783 0.460 1.00 0.00 C ATOM 668 C GLU A 45 -8.660 -8.346 0.773 1.00 0.00 C ATOM 669 O GLU A 45 -8.901 -8.859 1.873 1.00 0.00 O ATOM 670 CB GLU A 45 -6.351 -8.840 -0.146 1.00 0.00 C ATOM 671 CG GLU A 45 -5.212 -8.162 -0.929 1.00 0.00 C ATOM 672 CD GLU A 45 -4.865 -8.983 -2.148 1.00 0.00 C ATOM 673 OE1 GLU A 45 -5.489 -8.777 -3.166 1.00 0.00 O ATOM 674 OE2 GLU A 45 -3.994 -9.819 -2.053 1.00 0.00 O ATOM 0 H GLU A 45 -5.653 -7.450 1.741 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.401 -6.985 -0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.938 -9.470 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.922 -9.491 -0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.513 -7.158 -1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.335 -8.054 -0.291 1.00 0.00 H new ATOM 681 N LEU A 46 -9.602 -8.089 -0.114 1.00 0.00 N ATOM 682 CA LEU A 46 -11.007 -8.380 0.157 1.00 0.00 C ATOM 683 C LEU A 46 -11.267 -9.856 0.422 1.00 0.00 C ATOM 684 O LEU A 46 -11.974 -10.201 1.362 1.00 0.00 O ATOM 685 CB LEU A 46 -11.941 -7.889 -0.986 1.00 0.00 C ATOM 686 CG LEU A 46 -11.170 -7.220 -2.155 1.00 0.00 C ATOM 687 CD1 LEU A 46 -10.515 -5.910 -1.715 1.00 0.00 C ATOM 688 CD2 LEU A 46 -10.126 -8.176 -2.765 1.00 0.00 C ATOM 0 H LEU A 46 -9.425 -7.679 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.240 -7.826 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.510 -8.735 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.661 -7.179 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.901 -6.986 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.983 -5.468 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.282 -5.219 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.812 -6.109 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.606 -7.674 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.406 -8.466 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.627 -9.066 -3.147 1.00 0.00 H new ATOM 700 N ILE A 47 -10.735 -10.721 -0.419 1.00 0.00 N ATOM 701 CA ILE A 47 -11.020 -12.146 -0.303 1.00 0.00 C ATOM 702 C ILE A 47 -10.247 -12.796 0.831 1.00 0.00 C ATOM 703 O ILE A 47 -10.493 -13.950 1.180 1.00 0.00 O ATOM 704 CB ILE A 47 -10.759 -12.870 -1.634 1.00 0.00 C ATOM 705 CG1 ILE A 47 -9.305 -12.668 -2.073 1.00 0.00 C ATOM 706 CG2 ILE A 47 -11.698 -12.320 -2.713 1.00 0.00 C ATOM 707 CD1 ILE A 47 -9.015 -13.553 -3.282 1.00 0.00 C ATOM 0 H ILE A 47 -10.109 -10.470 -1.184 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.079 -12.241 -0.063 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.943 -13.935 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.131 -11.622 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.628 -12.917 -1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.511 -12.835 -3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.733 -12.481 -2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.519 -11.252 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.981 -13.412 -3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.173 -14.598 -3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.683 -13.283 -4.099 1.00 0.00 H new ATOM 719 N THR A 48 -9.281 -12.078 1.369 1.00 0.00 N ATOM 720 CA THR A 48 -8.435 -12.611 2.423 1.00 0.00 C ATOM 721 C THR A 48 -9.299 -13.082 3.605 1.00 0.00 C ATOM 722 O THR A 48 -9.480 -14.279 3.814 1.00 0.00 O ATOM 723 CB THR A 48 -7.457 -11.512 2.866 1.00 0.00 C ATOM 724 OG1 THR A 48 -7.352 -10.576 1.818 1.00 0.00 O ATOM 725 CG2 THR A 48 -6.065 -12.078 3.104 1.00 0.00 C ATOM 0 H THR A 48 -9.061 -11.121 1.094 1.00 0.00 H new ATOM 0 HA THR A 48 -7.873 -13.470 2.056 1.00 0.00 H new ATOM 0 HB THR A 48 -7.829 -11.066 3.789 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.599 -9.687 2.148 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.395 -11.277 3.416 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.110 -12.838 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.691 -12.525 2.183 1.00 0.00 H new ATOM 733 N ASN A 49 -9.861 -12.135 4.348 1.00 0.00 N ATOM 734 CA ASN A 49 -10.704 -12.473 5.492 1.00 0.00 C ATOM 735 C ASN A 49 -12.138 -12.744 5.090 1.00 0.00 C ATOM 736 O ASN A 49 -12.929 -13.218 5.903 1.00 0.00 O ATOM 737 CB ASN A 49 -10.654 -11.386 6.570 1.00 0.00 C ATOM 738 CG ASN A 49 -11.446 -11.835 7.795 1.00 0.00 C ATOM 739 OD1 ASN A 49 -11.181 -12.909 8.344 1.00 0.00 O ATOM 740 ND2 ASN A 49 -12.404 -11.095 8.253 1.00 0.00 N ATOM 0 H ASN A 49 -9.750 -11.135 4.182 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.296 -13.394 5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.620 -11.184 6.848 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.066 -10.455 6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.939 -11.399 9.066 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.624 -10.208 7.801 1.00 0.00 H new ATOM 747 N ASP A 50 -12.497 -12.413 3.855 1.00 0.00 N ATOM 748 CA ASP A 50 -13.873 -12.604 3.426 1.00 0.00 C ATOM 749 C ASP A 50 -14.267 -14.056 3.544 1.00 0.00 C ATOM 750 O ASP A 50 -15.333 -14.372 4.074 1.00 0.00 O ATOM 751 CB ASP A 50 -14.094 -12.137 1.992 1.00 0.00 C ATOM 752 CG ASP A 50 -15.549 -12.325 1.618 1.00 0.00 C ATOM 753 OD1 ASP A 50 -16.378 -11.646 2.186 1.00 0.00 O ATOM 754 OD2 ASP A 50 -15.820 -13.138 0.770 1.00 0.00 O ATOM 0 H ASP A 50 -11.872 -12.021 3.151 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.498 -11.998 4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.815 -11.088 1.893 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.457 -12.702 1.312 1.00 0.00 H new ATOM 759 N LYS A 51 -13.404 -14.942 3.071 1.00 0.00 N ATOM 760 CA LYS A 51 -13.670 -16.368 3.175 1.00 0.00 C ATOM 761 C LYS A 51 -12.630 -17.037 4.086 1.00 0.00 C ATOM 762 O LYS A 51 -12.655 -16.840 5.305 1.00 0.00 O ATOM 763 CB LYS A 51 -13.638 -16.960 1.747 1.00 0.00 C ATOM 764 CG LYS A 51 -13.989 -18.453 1.743 1.00 0.00 C ATOM 765 CD LYS A 51 -14.051 -18.936 0.282 1.00 0.00 C ATOM 766 CE LYS A 51 -14.414 -20.420 0.229 1.00 0.00 C ATOM 767 NZ LYS A 51 -13.285 -21.217 0.780 1.00 0.00 N ATOM 0 H LYS A 51 -12.523 -14.703 2.616 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.648 -16.548 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.341 -16.419 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.647 -16.818 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.241 -19.019 2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.946 -18.619 2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.789 -18.354 -0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -13.089 -18.772 -0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.321 -20.606 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.620 -20.720 -0.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.398 -22.214 0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.387 -20.854 0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.280 -21.141 1.817 1.00 0.00 H new ATOM 781 N TRP A 52 -11.629 -17.678 3.490 1.00 0.00 N ATOM 782 CA TRP A 52 -10.489 -18.219 4.239 1.00 0.00 C ATOM 783 C TRP A 52 -9.190 -17.541 3.821 1.00 0.00 C ATOM 784 O TRP A 52 -8.242 -17.474 4.588 1.00 0.00 O ATOM 785 CB TRP A 52 -10.378 -19.739 4.070 1.00 0.00 C ATOM 786 CG TRP A 52 -9.541 -20.301 5.174 1.00 0.00 C ATOM 787 CD1 TRP A 52 -10.013 -20.736 6.361 1.00 0.00 C ATOM 788 CD2 TRP A 52 -8.098 -20.486 5.215 1.00 0.00 C ATOM 789 NE1 TRP A 52 -8.948 -21.178 7.127 1.00 0.00 N ATOM 790 CE2 TRP A 52 -7.748 -21.043 6.462 1.00 0.00 C ATOM 791 CE3 TRP A 52 -7.069 -20.225 4.296 1.00 0.00 C ATOM 792 CZ2 TRP A 52 -6.425 -21.333 6.787 1.00 0.00 C ATOM 793 CZ3 TRP A 52 -5.735 -20.513 4.618 1.00 0.00 C ATOM 794 CH2 TRP A 52 -5.414 -21.067 5.863 1.00 0.00 C ATOM 0 H TRP A 52 -11.580 -17.838 2.484 1.00 0.00 H new ATOM 0 HA TRP A 52 -10.664 -18.010 5.294 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -11.370 -20.191 4.084 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -9.933 -19.977 3.104 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -11.050 -20.739 6.663 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -9.040 -21.558 8.069 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -7.307 -19.799 3.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -6.183 -21.761 7.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -4.952 -20.307 3.903 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -4.386 -21.288 6.108 1.00 0.00 H new ATOM 805 N THR A 53 -9.135 -17.201 2.540 1.00 0.00 N ATOM 806 CA THR A 53 -7.961 -16.673 1.815 1.00 0.00 C ATOM 807 C THR A 53 -7.056 -15.661 2.571 1.00 0.00 C ATOM 808 O THR A 53 -6.262 -14.985 1.932 1.00 0.00 O ATOM 809 CB THR A 53 -8.419 -16.099 0.469 1.00 0.00 C ATOM 810 OG1 THR A 53 -9.853 -16.135 0.403 1.00 0.00 O ATOM 811 CG2 THR A 53 -7.841 -16.935 -0.673 1.00 0.00 C ATOM 0 H THR A 53 -9.951 -17.287 1.934 1.00 0.00 H new ATOM 0 HA THR A 53 -7.303 -17.533 1.687 1.00 0.00 H new ATOM 0 HB THR A 53 -8.069 -15.071 0.377 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.226 -15.481 1.031 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.169 -16.523 -1.627 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.752 -16.915 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.189 -17.964 -0.583 1.00 0.00 H new ATOM 819 N ARG A 54 -7.246 -15.513 3.878 1.00 0.00 N ATOM 820 CA ARG A 54 -6.554 -14.533 4.761 1.00 0.00 C ATOM 821 C ARG A 54 -5.042 -14.302 4.510 1.00 0.00 C ATOM 822 O ARG A 54 -4.373 -13.727 5.364 1.00 0.00 O ATOM 823 CB ARG A 54 -6.783 -14.870 6.218 1.00 0.00 C ATOM 824 CG ARG A 54 -8.262 -14.730 6.539 1.00 0.00 C ATOM 825 CD ARG A 54 -8.481 -15.061 8.004 1.00 0.00 C ATOM 826 NE ARG A 54 -8.106 -16.446 8.276 1.00 0.00 N ATOM 827 CZ ARG A 54 -8.931 -17.475 8.068 1.00 0.00 C ATOM 828 NH1 ARG A 54 -10.144 -17.263 7.619 1.00 0.00 N ATOM 829 NH2 ARG A 54 -8.525 -18.690 8.320 1.00 0.00 N ATOM 0 H ARG A 54 -7.913 -16.091 4.390 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.020 -13.585 4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.449 -15.887 6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.197 -14.206 6.853 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.599 -13.715 6.327 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.849 -15.399 5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.891 -14.389 8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.527 -14.903 8.266 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.173 -16.636 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.458 -16.312 7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.774 -18.050 7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.582 -18.849 8.674 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.151 -19.480 8.163 1.00 0.00 H new ATOM 843 N ASN A 55 -4.519 -14.746 3.383 1.00 0.00 N ATOM 844 CA ASN A 55 -3.105 -14.557 3.028 1.00 0.00 C ATOM 845 C ASN A 55 -2.503 -13.303 3.686 1.00 0.00 C ATOM 846 O ASN A 55 -1.839 -13.402 4.719 1.00 0.00 O ATOM 847 CB ASN A 55 -2.955 -14.460 1.505 1.00 0.00 C ATOM 848 CG ASN A 55 -1.796 -15.335 1.044 1.00 0.00 C ATOM 849 OD1 ASN A 55 -0.638 -14.897 1.065 1.00 0.00 O ATOM 850 ND2 ASN A 55 -2.026 -16.538 0.635 1.00 0.00 N ATOM 0 H ASN A 55 -5.056 -15.251 2.678 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.559 -15.423 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.878 -14.777 1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.780 -13.425 1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.253 -17.129 0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.980 -16.897 0.618 1.00 0.00 H new ATOM 857 N ARG A 56 -2.712 -12.128 3.080 1.00 0.00 N ATOM 858 CA ARG A 56 -2.192 -10.882 3.654 1.00 0.00 C ATOM 859 C ARG A 56 -3.283 -9.893 4.070 1.00 0.00 C ATOM 860 O ARG A 56 -3.749 -9.096 3.252 1.00 0.00 O ATOM 861 CB ARG A 56 -1.159 -10.184 2.746 1.00 0.00 C ATOM 862 CG ARG A 56 -1.498 -10.374 1.260 1.00 0.00 C ATOM 863 CD ARG A 56 -0.337 -11.088 0.544 1.00 0.00 C ATOM 864 NE ARG A 56 -0.094 -12.407 1.128 1.00 0.00 N ATOM 865 CZ ARG A 56 0.871 -12.646 2.022 1.00 0.00 C ATOM 866 NH1 ARG A 56 1.680 -11.697 2.401 1.00 0.00 N ATOM 867 NH2 ARG A 56 1.009 -13.837 2.497 1.00 0.00 N ATOM 0 H ARG A 56 -3.228 -12.014 2.208 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.682 -11.202 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.127 -9.120 2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.166 -10.585 2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.413 -10.958 1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.684 -9.406 0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.568 -11.192 -0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.567 -10.483 0.615 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.690 -13.183 0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.581 -10.758 2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.412 -11.893 3.084 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.386 -14.584 2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.741 -14.032 3.180 1.00 0.00 H new ATOM 881 N PRO A 57 -3.536 -9.787 5.342 1.00 0.00 N ATOM 882 CA PRO A 57 -4.359 -8.668 5.888 1.00 0.00 C ATOM 883 C PRO A 57 -3.494 -7.423 6.020 1.00 0.00 C ATOM 884 O PRO A 57 -2.309 -7.452 5.659 1.00 0.00 O ATOM 885 CB PRO A 57 -4.829 -9.168 7.255 1.00 0.00 C ATOM 886 CG PRO A 57 -3.864 -10.245 7.628 1.00 0.00 C ATOM 887 CD PRO A 57 -3.431 -10.894 6.314 1.00 0.00 C ATOM 0 HA PRO A 57 -5.202 -8.400 5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.826 -8.364 7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.848 -9.552 7.205 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.007 -9.834 8.161 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.330 -10.975 8.289 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.415 -11.284 6.373 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.078 -11.729 6.045 1.00 0.00 H new ATOM 895 N ILE A 58 -4.065 -6.318 6.482 1.00 0.00 N ATOM 896 CA ILE A 58 -3.266 -5.116 6.653 1.00 0.00 C ATOM 897 C ILE A 58 -2.179 -5.385 7.688 1.00 0.00 C ATOM 898 O ILE A 58 -2.299 -4.989 8.854 1.00 0.00 O ATOM 899 CB ILE A 58 -4.134 -3.937 7.122 1.00 0.00 C ATOM 900 CG1 ILE A 58 -5.184 -3.598 6.068 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.252 -2.706 7.348 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.196 -2.625 6.670 1.00 0.00 C ATOM 0 H ILE A 58 -5.048 -6.230 6.738 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.821 -4.854 5.693 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.629 -4.221 8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.709 -3.154 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.687 -4.505 5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.870 -1.872 7.680 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.504 -2.929 8.109 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.753 -2.440 6.416 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.951 -2.377 5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.677 -3.087 7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.684 -1.716 6.984 1.00 0.00 H new ATOM 914 N VAL A 59 -1.152 -6.088 7.274 1.00 0.00 N ATOM 915 CA VAL A 59 -0.047 -6.412 8.143 1.00 0.00 C ATOM 916 C VAL A 59 1.246 -6.250 7.377 1.00 0.00 C ATOM 917 O VAL A 59 1.279 -6.459 6.165 1.00 0.00 O ATOM 918 CB VAL A 59 -0.179 -7.861 8.655 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.499 -8.021 9.408 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.146 -8.854 7.483 1.00 0.00 C ATOM 0 H VAL A 59 -1.059 -6.451 6.325 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.051 -5.741 9.002 1.00 0.00 H new ATOM 0 HB VAL A 59 0.658 -8.069 9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.590 -9.045 9.769 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.520 -7.335 10.255 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.329 -7.797 8.738 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.240 -9.871 7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.972 -8.643 6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.798 -8.754 6.948 1.00 0.00 H new ATOM 930 N SER A 60 2.323 -6.019 8.082 1.00 0.00 N ATOM 931 CA SER A 60 3.618 -5.994 7.452 1.00 0.00 C ATOM 932 C SER A 60 4.358 -7.238 7.857 1.00 0.00 C ATOM 933 O SER A 60 4.670 -7.412 9.046 1.00 0.00 O ATOM 934 CB SER A 60 4.413 -4.757 7.888 1.00 0.00 C ATOM 935 OG SER A 60 3.726 -3.563 7.513 1.00 0.00 O ATOM 0 H SER A 60 2.330 -5.846 9.087 1.00 0.00 H new ATOM 0 HA SER A 60 3.496 -5.952 6.370 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.561 -4.775 8.968 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.402 -4.773 7.430 1.00 0.00 H new ATOM 0 HG SER A 60 4.228 -2.783 7.831 1.00 0.00 H new ATOM 941 N THR A 61 4.652 -8.104 6.898 1.00 0.00 N ATOM 942 CA THR A 61 5.342 -9.326 7.236 1.00 0.00 C ATOM 943 C THR A 61 6.706 -8.950 7.730 1.00 0.00 C ATOM 944 O THR A 61 7.452 -8.288 7.008 1.00 0.00 O ATOM 945 CB THR A 61 5.466 -10.243 6.001 1.00 0.00 C ATOM 946 OG1 THR A 61 6.515 -9.771 5.145 1.00 0.00 O ATOM 947 CG2 THR A 61 4.142 -10.267 5.226 1.00 0.00 C ATOM 0 H THR A 61 4.429 -7.984 5.910 1.00 0.00 H new ATOM 0 HA THR A 61 4.787 -9.871 7.999 1.00 0.00 H new ATOM 0 HB THR A 61 5.701 -11.253 6.337 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.871 -8.929 5.498 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.241 -10.917 4.357 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.349 -10.643 5.872 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.894 -9.258 4.898 1.00 0.00 H new ATOM 955 N LYS A 62 6.991 -9.261 8.980 1.00 0.00 N ATOM 956 CA LYS A 62 8.242 -8.849 9.577 1.00 0.00 C ATOM 957 C LYS A 62 9.346 -9.770 9.118 1.00 0.00 C ATOM 958 O LYS A 62 9.366 -10.952 9.476 1.00 0.00 O ATOM 959 CB LYS A 62 8.150 -8.905 11.106 1.00 0.00 C ATOM 960 CG LYS A 62 6.931 -8.110 11.602 1.00 0.00 C ATOM 961 CD LYS A 62 7.068 -6.630 11.231 1.00 0.00 C ATOM 962 CE LYS A 62 5.881 -5.852 11.809 1.00 0.00 C ATOM 963 NZ LYS A 62 4.600 -6.409 11.283 1.00 0.00 N ATOM 0 H LYS A 62 6.377 -9.794 9.596 1.00 0.00 H new ATOM 0 HA LYS A 62 8.455 -7.825 9.269 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.073 -9.942 11.434 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.060 -8.498 11.546 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.020 -8.518 11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.838 -8.213 12.683 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.004 -6.230 11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.100 -6.516 10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.893 -5.911 12.897 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.964 -4.798 11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.898 -5.646 11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.764 -6.832 10.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.245 -7.138 11.935 1.00 0.00 H new ATOM 977 N LYS A 63 10.247 -9.249 8.310 1.00 0.00 N ATOM 978 CA LYS A 63 11.351 -10.040 7.804 1.00 0.00 C ATOM 979 C LYS A 63 12.660 -9.374 8.173 1.00 0.00 C ATOM 980 O LYS A 63 13.010 -8.328 7.621 1.00 0.00 O ATOM 981 CB LYS A 63 11.253 -10.207 6.274 1.00 0.00 C ATOM 982 CG LYS A 63 9.804 -10.048 5.813 1.00 0.00 C ATOM 983 CD LYS A 63 9.093 -11.389 5.880 1.00 0.00 C ATOM 984 CE LYS A 63 8.929 -11.917 4.462 1.00 0.00 C ATOM 985 NZ LYS A 63 7.809 -11.212 3.783 1.00 0.00 N ATOM 0 H LYS A 63 10.237 -8.281 7.989 1.00 0.00 H new ATOM 0 HA LYS A 63 11.307 -11.031 8.255 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.882 -9.467 5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.628 -11.188 5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.290 -9.322 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.777 -9.662 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.667 -12.093 6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.120 -11.279 6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.853 -11.773 3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.734 -12.989 4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.169 -11.910 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.285 -10.643 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.189 -10.590 3.042 1.00 0.00 H new ATOM 999 N LEU A 64 13.360 -9.960 9.116 1.00 0.00 N ATOM 1000 CA LEU A 64 14.633 -9.438 9.573 1.00 0.00 C ATOM 1001 C LEU A 64 15.726 -10.397 9.150 1.00 0.00 C ATOM 1002 O LEU A 64 15.649 -11.596 9.444 1.00 0.00 O ATOM 1003 CB LEU A 64 14.590 -9.273 11.103 1.00 0.00 C ATOM 1004 CG LEU A 64 15.885 -8.642 11.644 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.143 -7.304 10.959 1.00 0.00 C ATOM 1006 CD2 LEU A 64 15.694 -8.371 13.135 1.00 0.00 C ATOM 0 H LEU A 64 13.065 -10.813 9.591 1.00 0.00 H new ATOM 0 HA LEU A 64 14.836 -8.462 9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.739 -8.650 11.378 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.437 -10.246 11.570 1.00 0.00 H new ATOM 0 HG LEU A 64 16.721 -9.317 11.460 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.062 -6.866 11.350 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.243 -7.459 9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.309 -6.629 11.153 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.600 -7.923 13.542 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.856 -7.688 13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.489 -9.309 13.652 1.00 0.00 H new ATOM 1018 N ASP A 65 16.642 -9.907 8.326 1.00 0.00 N ATOM 1019 CA ASP A 65 17.654 -10.754 7.696 1.00 0.00 C ATOM 1020 C ASP A 65 19.034 -10.158 7.869 1.00 0.00 C ATOM 1021 O ASP A 65 19.211 -9.170 8.592 1.00 0.00 O ATOM 1022 CB ASP A 65 17.358 -10.867 6.183 1.00 0.00 C ATOM 1023 CG ASP A 65 17.913 -12.161 5.594 1.00 0.00 C ATOM 1024 OD1 ASP A 65 18.718 -12.801 6.238 1.00 0.00 O ATOM 1025 OD2 ASP A 65 17.538 -12.484 4.485 1.00 0.00 O ATOM 0 H ASP A 65 16.708 -8.921 8.075 1.00 0.00 H new ATOM 0 HA ASP A 65 17.623 -11.736 8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.281 -10.825 6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.793 -10.014 5.662 1.00 0.00 H new ATOM 1030 N LYS A 66 19.970 -10.656 7.064 1.00 0.00 N ATOM 1031 CA LYS A 66 21.322 -10.118 7.001 1.00 0.00 C ATOM 1032 C LYS A 66 21.270 -8.602 6.855 1.00 0.00 C ATOM 1033 O LYS A 66 22.262 -7.901 7.090 1.00 0.00 O ATOM 1034 CB LYS A 66 22.073 -10.727 5.795 1.00 0.00 C ATOM 1035 CG LYS A 66 21.498 -10.173 4.464 1.00 0.00 C ATOM 1036 CD LYS A 66 20.559 -11.197 3.806 1.00 0.00 C ATOM 1037 CE LYS A 66 19.557 -10.468 2.879 1.00 0.00 C ATOM 1038 NZ LYS A 66 18.458 -11.390 2.484 1.00 0.00 N ATOM 0 H LYS A 66 19.810 -11.445 6.437 1.00 0.00 H new ATOM 0 HA LYS A 66 21.848 -10.374 7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 66 23.135 -10.494 5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 66 21.983 -11.813 5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.957 -9.246 4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 66 22.314 -9.931 3.783 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.139 -11.920 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 66 20.020 -11.755 4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.145 -9.597 3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.072 -10.103 1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.601 -10.839 2.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.741 -11.925 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.263 -12.051 3.263 1.00 0.00 H new ATOM 1052 N GLU A 67 20.105 -8.111 6.450 1.00 0.00 N ATOM 1053 CA GLU A 67 19.890 -6.702 6.235 1.00 0.00 C ATOM 1054 C GLU A 67 20.107 -5.947 7.534 1.00 0.00 C ATOM 1055 O GLU A 67 20.556 -4.804 7.534 1.00 0.00 O ATOM 1056 CB GLU A 67 18.462 -6.465 5.729 1.00 0.00 C ATOM 1057 CG GLU A 67 18.261 -7.203 4.389 1.00 0.00 C ATOM 1058 CD GLU A 67 19.184 -6.662 3.312 1.00 0.00 C ATOM 1059 OE1 GLU A 67 19.488 -5.495 3.343 1.00 0.00 O ATOM 1060 OE2 GLU A 67 19.573 -7.430 2.461 1.00 0.00 O ATOM 0 H GLU A 67 19.285 -8.689 6.263 1.00 0.00 H new ATOM 0 HA GLU A 67 20.597 -6.342 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 67 17.741 -6.821 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.284 -5.398 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 67 18.447 -8.268 4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.225 -7.099 4.067 1.00 0.00 H new ATOM 1067 N GLY A 68 19.727 -6.569 8.637 1.00 0.00 N ATOM 1068 CA GLY A 68 19.866 -5.949 9.939 1.00 0.00 C ATOM 1069 C GLY A 68 18.740 -4.978 10.176 1.00 0.00 C ATOM 1070 O GLY A 68 18.695 -4.296 11.205 1.00 0.00 O ATOM 0 H GLY A 68 19.320 -7.504 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.866 -6.714 10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.823 -5.430 10.003 1.00 0.00 H new ATOM 1074 N ARG A 69 17.812 -4.938 9.236 1.00 0.00 N ATOM 1075 CA ARG A 69 16.631 -4.106 9.352 1.00 0.00 C ATOM 1076 C ARG A 69 15.434 -5.009 9.126 1.00 0.00 C ATOM 1077 O ARG A 69 15.464 -5.851 8.223 1.00 0.00 O ATOM 1078 CB ARG A 69 16.627 -3.019 8.252 1.00 0.00 C ATOM 1079 CG ARG A 69 18.046 -2.486 8.001 1.00 0.00 C ATOM 1080 CD ARG A 69 18.584 -1.730 9.214 1.00 0.00 C ATOM 1081 NE ARG A 69 19.905 -1.186 8.894 1.00 0.00 N ATOM 1082 CZ ARG A 69 21.046 -1.788 9.267 1.00 0.00 C ATOM 1083 NH1 ARG A 69 21.008 -2.869 10.002 1.00 0.00 N ATOM 1084 NH2 ARG A 69 22.193 -1.286 8.903 1.00 0.00 N ATOM 0 H ARG A 69 17.857 -5.481 8.373 1.00 0.00 H new ATOM 0 HA ARG A 69 16.607 -3.622 10.328 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.221 -3.432 7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.973 -2.199 8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 69 18.711 -3.317 7.765 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.040 -1.826 7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.902 -0.925 9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.650 -2.397 10.073 1.00 0.00 H new ATOM 0 HE ARG A 69 19.961 -0.315 8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.110 -3.257 10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 69 21.876 -3.325 10.284 1.00 0.00 H new ATOM 0 HH21 ARG A 69 22.222 -0.438 8.336 1.00 0.00 H new ATOM 0 HH22 ARG A 69 23.061 -1.741 9.185 1.00 0.00 H new ATOM 1098 N THR A 70 14.397 -4.854 9.910 1.00 0.00 N ATOM 1099 CA THR A 70 13.214 -5.684 9.726 1.00 0.00 C ATOM 1100 C THR A 70 12.426 -5.160 8.535 1.00 0.00 C ATOM 1101 O THR A 70 12.020 -4.003 8.526 1.00 0.00 O ATOM 1102 CB THR A 70 12.340 -5.634 10.982 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.151 -5.450 12.142 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.519 -6.918 11.117 1.00 0.00 C ATOM 0 H THR A 70 14.338 -4.177 10.670 1.00 0.00 H new ATOM 0 HA THR A 70 13.516 -6.716 9.548 1.00 0.00 H new ATOM 0 HB THR A 70 11.656 -4.790 10.891 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.649 -4.945 12.815 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.904 -6.864 12.015 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.877 -7.033 10.244 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.191 -7.774 11.188 1.00 0.00 H new ATOM 1112 N HIS A 71 12.191 -6.006 7.548 1.00 0.00 N ATOM 1113 CA HIS A 71 11.452 -5.597 6.358 1.00 0.00 C ATOM 1114 C HIS A 71 9.971 -5.735 6.602 1.00 0.00 C ATOM 1115 O HIS A 71 9.513 -6.775 7.082 1.00 0.00 O ATOM 1116 CB HIS A 71 11.853 -6.456 5.146 1.00 0.00 C ATOM 1117 CG HIS A 71 11.636 -5.704 3.837 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.698 -5.297 3.042 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.493 -5.329 3.146 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.185 -4.720 1.935 1.00 0.00 C ATOM 1121 NE2 HIS A 71 10.850 -4.717 1.945 1.00 0.00 N ATOM 0 H HIS A 71 12.498 -6.979 7.543 1.00 0.00 H new ATOM 0 HA HIS A 71 11.693 -4.555 6.146 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.901 -6.744 5.233 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.269 -7.376 5.140 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.480 -5.487 3.487 1.00 0.00 H new ATOM 0 HE1 HIS A 71 12.784 -4.309 1.136 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.226 -4.347 1.228 1.00 0.00 H new ATOM 1130 N HIS A 72 9.230 -4.706 6.251 1.00 0.00 N ATOM 1131 CA HIS A 72 7.790 -4.712 6.364 1.00 0.00 C ATOM 1132 C HIS A 72 7.195 -4.872 4.984 1.00 0.00 C ATOM 1133 O HIS A 72 7.174 -3.923 4.220 1.00 0.00 O ATOM 1134 CB HIS A 72 7.296 -3.364 6.930 1.00 0.00 C ATOM 1135 CG HIS A 72 7.363 -3.344 8.426 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.336 -2.815 9.194 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.325 -3.756 9.312 1.00 0.00 C ATOM 1138 CE1 HIS A 72 6.704 -2.919 10.481 1.00 0.00 C ATOM 1139 NE2 HIS A 72 7.908 -3.487 10.611 1.00 0.00 N ATOM 0 H HIS A 72 9.613 -3.838 5.877 1.00 0.00 H new ATOM 0 HA HIS A 72 7.491 -5.527 7.023 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.903 -2.553 6.526 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.270 -3.186 6.607 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.263 -4.219 9.042 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.100 -2.584 11.312 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.412 -3.681 11.476 1.00 0.00 H new ATOM 1148 N TYR A 73 6.627 -6.027 4.704 1.00 0.00 N ATOM 1149 CA TYR A 73 5.915 -6.223 3.453 1.00 0.00 C ATOM 1150 C TYR A 73 4.439 -6.153 3.729 1.00 0.00 C ATOM 1151 O TYR A 73 3.884 -7.055 4.368 1.00 0.00 O ATOM 1152 CB TYR A 73 6.235 -7.589 2.832 1.00 0.00 C ATOM 1153 CG TYR A 73 7.678 -7.656 2.408 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.041 -7.265 1.120 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.651 -8.117 3.294 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.374 -7.332 0.718 1.00 0.00 C ATOM 1157 CE2 TYR A 73 9.988 -8.184 2.887 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.345 -7.791 1.600 1.00 0.00 C ATOM 1159 OH TYR A 73 11.661 -7.849 1.202 1.00 0.00 O ATOM 0 H TYR A 73 6.643 -6.840 5.319 1.00 0.00 H new ATOM 0 HA TYR A 73 6.225 -5.447 2.753 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.025 -8.380 3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.589 -7.763 1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.288 -6.909 0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.373 -8.422 4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.653 -7.027 -0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.743 -8.541 3.572 1.00 0.00 H new ATOM 0 HH TYR A 73 12.210 -8.191 1.938 1.00 0.00 H new ATOM 1169 N MET A 74 3.823 -5.058 3.336 1.00 0.00 N ATOM 1170 CA MET A 74 2.411 -4.860 3.576 1.00 0.00 C ATOM 1171 C MET A 74 1.711 -4.395 2.318 1.00 0.00 C ATOM 1172 O MET A 74 2.090 -3.374 1.729 1.00 0.00 O ATOM 1173 CB MET A 74 2.197 -3.852 4.706 1.00 0.00 C ATOM 1174 CG MET A 74 0.701 -3.716 5.021 1.00 0.00 C ATOM 1175 SD MET A 74 0.492 -2.718 6.516 1.00 0.00 S ATOM 1176 CE MET A 74 1.358 -1.241 5.931 1.00 0.00 C ATOM 0 H MET A 74 4.281 -4.289 2.847 1.00 0.00 H new ATOM 0 HA MET A 74 1.980 -5.816 3.874 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.736 -4.174 5.597 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.605 -2.883 4.420 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.182 -3.250 4.183 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.257 -4.701 5.163 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.127 -0.401 6.585 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.433 -1.422 5.939 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.037 -1.009 4.915 1.00 0.00 H new ATOM 1186 N ARG A 75 0.633 -5.070 1.973 1.00 0.00 N ATOM 1187 CA ARG A 75 -0.205 -4.642 0.874 1.00 0.00 C ATOM 1188 C ARG A 75 -1.665 -4.689 1.283 1.00 0.00 C ATOM 1189 O ARG A 75 -2.062 -5.527 2.091 1.00 0.00 O ATOM 1190 CB ARG A 75 0.030 -5.471 -0.405 1.00 0.00 C ATOM 1191 CG ARG A 75 0.370 -6.927 -0.056 1.00 0.00 C ATOM 1192 CD ARG A 75 0.415 -7.763 -1.347 1.00 0.00 C ATOM 1193 NE ARG A 75 1.436 -7.249 -2.271 1.00 0.00 N ATOM 1194 CZ ARG A 75 2.711 -7.647 -2.225 1.00 0.00 C ATOM 1195 NH1 ARG A 75 3.095 -8.510 -1.330 1.00 0.00 N ATOM 1196 NH2 ARG A 75 3.569 -7.171 -3.074 1.00 0.00 N ATOM 0 H ARG A 75 0.317 -5.920 2.440 1.00 0.00 H new ATOM 0 HA ARG A 75 0.070 -3.614 0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.861 -5.441 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.842 -5.032 -0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.331 -6.975 0.456 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.376 -7.333 0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.630 -8.803 -1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.561 -7.744 -1.831 1.00 0.00 H new ATOM 0 HE ARG A 75 1.161 -6.563 -2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.422 -8.885 -0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.069 -8.812 -1.297 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.270 -6.494 -3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.542 -7.474 -3.040 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.441 -3.767 0.766 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.849 -3.678 1.103 1.00 0.00 C ATOM 1212 C PHE A 76 -4.663 -3.128 -0.045 1.00 0.00 C ATOM 1213 O PHE A 76 -4.119 -2.504 -0.966 1.00 0.00 O ATOM 1214 CB PHE A 76 -4.064 -2.878 2.403 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.368 -1.534 2.346 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -2.040 -1.423 2.787 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -4.042 -0.399 1.868 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -1.390 -0.184 2.750 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -3.389 0.840 1.837 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.064 0.946 2.277 1.00 0.00 C ATOM 0 H PHE A 76 -2.121 -3.060 0.104 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.209 -4.690 1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.131 -2.730 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.686 -3.450 3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.519 -2.295 3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.063 -0.481 1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.367 -0.101 3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.908 1.714 1.473 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.562 1.902 2.251 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.962 -3.369 -0.002 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.852 -2.913 -1.051 1.00 0.00 C ATOM 1232 C HIS A 77 -7.613 -1.695 -0.617 1.00 0.00 C ATOM 1233 O HIS A 77 -8.007 -1.575 0.551 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.835 -4.013 -1.489 1.00 0.00 C ATOM 1235 CG HIS A 77 -7.227 -4.850 -2.584 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -6.700 -4.286 -3.733 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -7.074 -6.205 -2.732 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -6.260 -5.303 -4.511 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.465 -6.488 -3.938 1.00 0.00 N ATOM 0 H HIS A 77 -6.423 -3.880 0.751 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.227 -2.657 -1.907 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.088 -4.644 -0.637 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.764 -3.562 -1.839 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -6.652 -3.291 -3.952 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.385 -6.944 -2.009 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.799 -5.170 -5.478 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.224 -7.407 -4.310 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.857 -0.808 -1.561 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.636 0.377 -1.289 1.00 0.00 C ATOM 1250 C VAL A 78 -9.697 0.547 -2.361 1.00 0.00 C ATOM 1251 O VAL A 78 -9.569 0.003 -3.459 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.739 1.625 -1.186 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.468 1.291 -0.397 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.363 2.127 -2.583 1.00 0.00 C ATOM 0 H VAL A 78 -7.526 -0.888 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.129 0.259 -0.324 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.290 2.409 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.839 2.178 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.739 0.960 0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.922 0.497 -0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.729 3.009 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.824 1.345 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.268 2.385 -3.133 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.748 1.267 -2.037 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.870 1.420 -2.946 1.00 0.00 C ATOM 1266 C GLU A 79 -11.933 2.803 -3.571 1.00 0.00 C ATOM 1267 O GLU A 79 -12.158 3.799 -2.879 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.164 1.120 -2.203 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.229 -0.380 -1.883 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.425 -0.705 -1.015 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.258 0.153 -0.831 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.499 -1.816 -0.558 1.00 0.00 O ATOM 0 H GLU A 79 -10.852 1.758 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.732 0.713 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.212 1.702 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.021 1.412 -2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.284 -0.950 -2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.314 -0.686 -1.375 1.00 0.00 H new ATOM 1279 N SER A 80 -11.869 2.833 -4.894 1.00 0.00 N ATOM 1280 CA SER A 80 -12.069 4.060 -5.651 1.00 0.00 C ATOM 1281 C SER A 80 -13.539 4.218 -5.947 1.00 0.00 C ATOM 1282 O SER A 80 -14.363 3.418 -5.493 1.00 0.00 O ATOM 1283 CB SER A 80 -11.271 4.024 -6.962 1.00 0.00 C ATOM 1284 OG SER A 80 -11.827 3.049 -7.836 1.00 0.00 O ATOM 0 H SER A 80 -11.678 2.013 -5.470 1.00 0.00 H new ATOM 0 HA SER A 80 -11.716 4.906 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.290 5.005 -7.437 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.227 3.789 -6.757 1.00 0.00 H new ATOM 0 HG SER A 80 -11.377 2.190 -7.696 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.869 5.214 -6.736 1.00 0.00 N ATOM 1291 CA LYS A 81 -15.243 5.418 -7.124 1.00 0.00 C ATOM 1292 C LYS A 81 -15.703 4.236 -7.964 1.00 0.00 C ATOM 1293 O LYS A 81 -16.897 3.955 -8.055 1.00 0.00 O ATOM 1294 CB LYS A 81 -15.378 6.677 -7.986 1.00 0.00 C ATOM 1295 CG LYS A 81 -14.867 7.916 -7.247 1.00 0.00 C ATOM 1296 CD LYS A 81 -15.625 8.101 -5.950 1.00 0.00 C ATOM 1297 CE LYS A 81 -15.728 9.599 -5.610 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.428 10.279 -5.778 1.00 0.00 N ATOM 0 H LYS A 81 -13.209 5.891 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.844 5.521 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.819 6.547 -8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.423 6.821 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.801 7.813 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.987 8.798 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.622 7.670 -6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.118 7.571 -5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.472 10.069 -6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.073 9.718 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.569 11.177 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.012 10.468 -4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.786 9.671 -6.326 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.770 3.681 -8.730 1.00 0.00 N ATOM 1313 CA LYS A 82 -15.111 2.678 -9.732 1.00 0.00 C ATOM 1314 C LYS A 82 -14.428 1.337 -9.491 1.00 0.00 C ATOM 1315 O LYS A 82 -14.905 0.310 -9.981 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.750 3.209 -11.130 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.532 4.508 -11.398 1.00 0.00 C ATOM 1318 CD LYS A 82 -17.038 4.194 -11.531 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.865 5.194 -10.709 1.00 0.00 C ATOM 1320 NZ LYS A 82 -18.593 4.470 -9.640 1.00 0.00 N ATOM 0 H LYS A 82 -13.777 3.907 -8.677 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.184 2.499 -9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.678 3.396 -11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.990 2.463 -11.888 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -15.369 5.216 -10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.168 4.981 -12.310 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.335 4.240 -12.579 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.237 3.179 -11.188 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.212 5.950 -10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -18.571 5.717 -11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -19.369 5.064 -9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -18.982 3.585 -10.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.939 4.252 -8.861 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.248 1.356 -8.883 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.467 0.125 -8.728 1.00 0.00 C ATOM 1336 C LYS A 83 -11.809 0.021 -7.372 1.00 0.00 C ATOM 1337 O LYS A 83 -11.596 1.025 -6.681 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.416 -0.010 -9.835 1.00 0.00 C ATOM 1339 CG LYS A 83 -12.116 -0.126 -11.195 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.884 -1.454 -11.278 1.00 0.00 C ATOM 1341 CE LYS A 83 -13.884 -1.392 -12.428 1.00 0.00 C ATOM 1342 NZ LYS A 83 -15.235 -1.125 -11.872 1.00 0.00 N ATOM 0 H LYS A 83 -12.813 2.192 -8.494 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.177 -0.698 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.753 0.855 -9.828 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.796 -0.889 -9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.802 0.710 -11.333 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.381 -0.071 -11.998 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.189 -2.280 -11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.404 -1.645 -10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.603 -0.608 -13.131 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.882 -2.331 -12.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.757 -0.496 -12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.752 -2.022 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.144 -0.669 -10.942 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.414 -1.182 -7.030 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.703 -1.432 -5.805 1.00 0.00 C ATOM 1358 C ILE A 84 -9.212 -1.487 -6.132 1.00 0.00 C ATOM 1359 O ILE A 84 -8.785 -2.286 -6.971 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.180 -2.768 -5.228 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.696 -2.707 -5.028 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.515 -3.020 -3.873 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.235 -4.098 -4.736 1.00 0.00 C ATOM 0 H ILE A 84 -11.578 -2.015 -7.596 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.885 -0.648 -5.070 1.00 0.00 H new ATOM 0 HB ILE A 84 -10.917 -3.572 -5.916 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -12.936 -2.034 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.173 -2.302 -5.920 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.860 -3.972 -3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.433 -3.050 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -10.778 -2.218 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.315 -4.048 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.009 -4.759 -5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -12.768 -4.486 -3.831 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.441 -0.600 -5.532 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.015 -0.504 -5.828 1.00 0.00 C ATOM 1377 C ALA A 85 -6.210 -1.346 -4.873 1.00 0.00 C ATOM 1378 O ALA A 85 -6.719 -1.787 -3.841 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.542 0.954 -5.771 1.00 0.00 C ATOM 0 H ALA A 85 -8.774 0.067 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.860 -0.881 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.476 1.000 -5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.093 1.544 -6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.721 1.356 -4.774 1.00 0.00 H new ATOM 1385 N LEU A 86 -4.955 -1.559 -5.211 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.040 -2.300 -4.358 1.00 0.00 C ATOM 1387 C LEU A 86 -2.915 -1.387 -3.931 1.00 0.00 C ATOM 1388 O LEU A 86 -2.272 -0.763 -4.778 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.464 -3.505 -5.116 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.382 -4.213 -4.277 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -3.001 -4.797 -3.014 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.770 -5.351 -5.098 1.00 0.00 C ATOM 0 H LEU A 86 -4.539 -1.226 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.579 -2.662 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.263 -4.207 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.038 -3.175 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.614 -3.489 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.229 -5.295 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.446 -3.996 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.772 -5.518 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.004 -5.854 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.548 -6.065 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.321 -4.945 -6.005 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.645 -1.337 -2.647 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.546 -0.543 -2.146 1.00 0.00 C ATOM 1406 C VAL A 87 -0.507 -1.473 -1.545 1.00 0.00 C ATOM 1407 O VAL A 87 -0.842 -2.337 -0.734 1.00 0.00 O ATOM 1408 CB VAL A 87 -2.050 0.452 -1.086 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.893 1.336 -0.606 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -3.162 1.333 -1.681 1.00 0.00 C ATOM 0 H VAL A 87 -3.171 -1.837 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.100 0.026 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.449 -0.106 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.258 2.038 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.114 0.711 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.483 1.889 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.514 2.035 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.771 1.886 -2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.991 0.703 -2.005 1.00 0.00 H new ATOM 1420 N HIS A 88 0.736 -1.319 -1.975 1.00 0.00 N ATOM 1421 CA HIS A 88 1.835 -2.153 -1.499 1.00 0.00 C ATOM 1422 C HIS A 88 2.902 -1.275 -0.883 1.00 0.00 C ATOM 1423 O HIS A 88 3.445 -0.390 -1.551 1.00 0.00 O ATOM 1424 CB HIS A 88 2.416 -2.966 -2.673 1.00 0.00 C ATOM 1425 CG HIS A 88 3.608 -3.802 -2.241 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.373 -4.508 -3.158 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.199 -4.034 -1.016 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.365 -5.117 -2.488 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.312 -4.864 -1.183 1.00 0.00 N ATOM 0 H HIS A 88 1.013 -0.616 -2.661 1.00 0.00 H new ATOM 0 HA HIS A 88 1.469 -2.847 -0.742 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.644 -3.617 -3.082 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.717 -2.288 -3.472 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.211 -4.556 -4.164 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.855 -3.636 -0.073 1.00 0.00 H new ATOM 0 HE1 HIS A 88 6.116 -5.738 -2.953 1.00 0.00 H new ATOM 1438 N LEU A 89 3.179 -1.493 0.395 1.00 0.00 N ATOM 1439 CA LEU A 89 4.177 -0.704 1.105 1.00 0.00 C ATOM 1440 C LEU A 89 5.283 -1.600 1.615 1.00 0.00 C ATOM 1441 O LEU A 89 5.020 -2.528 2.391 1.00 0.00 O ATOM 1442 CB LEU A 89 3.530 0.009 2.307 1.00 0.00 C ATOM 1443 CG LEU A 89 4.589 0.824 3.088 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.939 2.105 2.335 1.00 0.00 C ATOM 1445 CD2 LEU A 89 4.063 1.170 4.476 1.00 0.00 C ATOM 0 H LEU A 89 2.727 -2.210 0.962 1.00 0.00 H new ATOM 0 HA LEU A 89 4.587 0.032 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.736 0.671 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.068 -0.725 2.967 1.00 0.00 H new ATOM 0 HG LEU A 89 5.489 0.217 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.685 2.666 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.340 1.852 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.042 2.713 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.815 1.743 5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.153 1.762 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.844 0.252 5.021 1.00 0.00 H new ATOM 1457 N GLU A 90 6.521 -1.225 1.324 1.00 0.00 N ATOM 1458 CA GLU A 90 7.656 -1.871 1.934 1.00 0.00 C ATOM 1459 C GLU A 90 8.463 -0.904 2.741 1.00 0.00 C ATOM 1460 O GLU A 90 9.113 -0.001 2.199 1.00 0.00 O ATOM 1461 CB GLU A 90 8.537 -2.597 0.940 1.00 0.00 C ATOM 1462 CG GLU A 90 7.834 -3.869 0.472 1.00 0.00 C ATOM 1463 CD GLU A 90 8.705 -4.612 -0.508 1.00 0.00 C ATOM 1464 OE1 GLU A 90 9.905 -4.436 -0.451 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.168 -5.332 -1.315 1.00 0.00 O ATOM 0 H GLU A 90 6.756 -0.478 0.670 1.00 0.00 H new ATOM 0 HA GLU A 90 7.244 -2.629 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.750 -1.952 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.494 -2.845 1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.611 -4.506 1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.882 -3.617 0.005 1.00 0.00 H new ATOM 1472 N ALA A 91 8.507 -1.155 4.016 1.00 0.00 N ATOM 1473 CA ALA A 91 9.305 -0.379 4.922 1.00 0.00 C ATOM 1474 C ALA A 91 10.221 -1.301 5.674 1.00 0.00 C ATOM 1475 O ALA A 91 9.940 -2.487 5.792 1.00 0.00 O ATOM 1476 CB ALA A 91 8.414 0.397 5.900 1.00 0.00 C ATOM 0 H ALA A 91 7.986 -1.910 4.461 1.00 0.00 H new ATOM 0 HA ALA A 91 9.892 0.344 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.039 0.979 6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.761 1.068 5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.809 -0.304 6.475 1.00 0.00 H new ATOM 1482 N LYS A 92 11.287 -0.770 6.211 1.00 0.00 N ATOM 1483 CA LYS A 92 12.172 -1.567 7.019 1.00 0.00 C ATOM 1484 C LYS A 92 12.318 -0.946 8.389 1.00 0.00 C ATOM 1485 O LYS A 92 12.610 0.251 8.510 1.00 0.00 O ATOM 1486 CB LYS A 92 13.551 -1.743 6.351 1.00 0.00 C ATOM 1487 CG LYS A 92 14.307 -0.412 6.337 1.00 0.00 C ATOM 1488 CD LYS A 92 15.663 -0.581 5.645 1.00 0.00 C ATOM 1489 CE LYS A 92 16.404 0.761 5.642 1.00 0.00 C ATOM 1490 NZ LYS A 92 16.689 1.186 7.043 1.00 0.00 N ATOM 0 H LYS A 92 11.563 0.206 6.105 1.00 0.00 H new ATOM 0 HA LYS A 92 11.733 -2.560 7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.131 -2.493 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.425 -2.109 5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.718 0.344 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.453 -0.058 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.256 -1.335 6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.521 -0.933 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.336 0.671 5.083 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.802 1.518 5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.634 1.618 7.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.976 1.880 7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 16.656 0.357 7.671 1.00 0.00 H new ATOM 1504 N GLU A 93 12.194 -1.752 9.419 1.00 0.00 N ATOM 1505 CA GLU A 93 12.429 -1.258 10.749 1.00 0.00 C ATOM 1506 C GLU A 93 13.902 -0.944 10.819 1.00 0.00 C ATOM 1507 O GLU A 93 14.730 -1.831 10.580 1.00 0.00 O ATOM 1508 CB GLU A 93 12.076 -2.334 11.784 1.00 0.00 C ATOM 1509 CG GLU A 93 10.571 -2.674 11.698 1.00 0.00 C ATOM 1510 CD GLU A 93 10.206 -3.791 12.661 1.00 0.00 C ATOM 1511 OE1 GLU A 93 11.076 -4.285 13.353 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.046 -4.140 12.690 1.00 0.00 O ATOM 0 H GLU A 93 11.936 -2.737 9.360 1.00 0.00 H new ATOM 0 HA GLU A 93 11.818 -0.381 10.963 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.671 -3.230 11.607 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.321 -1.981 12.786 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.981 -1.786 11.926 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.320 -2.971 10.680 1.00 0.00 H new ATOM 1519 N SER A 94 14.235 0.328 10.968 1.00 0.00 N ATOM 1520 CA SER A 94 15.616 0.736 10.882 1.00 0.00 C ATOM 1521 C SER A 94 16.415 0.041 11.968 1.00 0.00 C ATOM 1522 O SER A 94 16.995 -1.020 11.728 1.00 0.00 O ATOM 1523 CB SER A 94 15.722 2.259 11.001 1.00 0.00 C ATOM 1524 OG SER A 94 14.638 2.860 10.286 1.00 0.00 O ATOM 0 H SER A 94 13.573 1.083 11.147 1.00 0.00 H new ATOM 0 HA SER A 94 16.026 0.448 9.914 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.693 2.557 12.049 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.675 2.602 10.598 1.00 0.00 H new ATOM 0 HG SER A 94 14.607 2.500 9.375 1.00 0.00 H new ATOM 1530 N LYS A 95 16.350 0.559 13.176 1.00 0.00 N ATOM 1531 CA LYS A 95 16.941 -0.128 14.297 1.00 0.00 C ATOM 1532 C LYS A 95 16.161 0.138 15.571 1.00 0.00 C ATOM 1533 O LYS A 95 15.442 -0.724 16.072 1.00 0.00 O ATOM 1534 CB LYS A 95 18.421 0.232 14.453 1.00 0.00 C ATOM 1535 CG LYS A 95 19.153 -0.980 15.023 1.00 0.00 C ATOM 1536 CD LYS A 95 19.318 -2.040 13.924 1.00 0.00 C ATOM 1537 CE LYS A 95 18.929 -3.410 14.495 1.00 0.00 C ATOM 1538 NZ LYS A 95 19.262 -4.481 13.526 1.00 0.00 N ATOM 0 H LYS A 95 15.898 1.445 13.403 1.00 0.00 H new ATOM 0 HA LYS A 95 16.890 -1.199 14.099 1.00 0.00 H new ATOM 0 HB2 LYS A 95 18.846 0.514 13.490 1.00 0.00 H new ATOM 0 HB3 LYS A 95 18.535 1.090 15.115 1.00 0.00 H new ATOM 0 HG2 LYS A 95 20.129 -0.682 15.406 1.00 0.00 H new ATOM 0 HG3 LYS A 95 18.594 -1.394 15.862 1.00 0.00 H new ATOM 0 HD2 LYS A 95 18.690 -1.796 13.067 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.348 -2.058 13.569 1.00 0.00 H new ATOM 0 HE2 LYS A 95 19.454 -3.583 15.434 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.862 -3.430 14.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.817 -5.372 13.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.910 -4.218 12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 20.294 -4.606 13.487 1.00 0.00 H new ATOM 1552 N GLN A 96 16.329 1.332 16.098 1.00 0.00 N ATOM 1553 CA GLN A 96 15.665 1.741 17.323 1.00 0.00 C ATOM 1554 C GLN A 96 14.404 2.527 17.007 1.00 0.00 C ATOM 1555 O GLN A 96 13.509 2.648 17.849 1.00 0.00 O ATOM 1556 CB GLN A 96 16.610 2.608 18.156 1.00 0.00 C ATOM 1557 CG GLN A 96 17.965 1.903 18.289 1.00 0.00 C ATOM 1558 CD GLN A 96 19.032 2.692 17.552 1.00 0.00 C ATOM 1559 OE1 GLN A 96 19.084 3.920 17.659 1.00 0.00 O ATOM 1560 NE2 GLN A 96 19.886 2.074 16.810 1.00 0.00 N ATOM 0 H GLN A 96 16.930 2.049 15.691 1.00 0.00 H new ATOM 0 HA GLN A 96 15.392 0.849 17.886 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.739 3.582 17.683 1.00 0.00 H new ATOM 0 HB3 GLN A 96 16.182 2.787 19.143 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.233 1.807 19.341 1.00 0.00 H new ATOM 0 HG3 GLN A 96 17.901 0.894 17.883 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.844 1.059 16.721 1.00 0.00 H new ATOM 0 HE22 GLN A 96 20.604 2.600 16.312 1.00 0.00 H new ATOM 1569 N ASN A 97 14.353 3.102 15.811 1.00 0.00 N ATOM 1570 CA ASN A 97 13.226 3.947 15.435 1.00 0.00 C ATOM 1571 C ASN A 97 11.926 3.191 15.533 1.00 0.00 C ATOM 1572 O ASN A 97 11.814 2.041 15.088 1.00 0.00 O ATOM 1573 CB ASN A 97 13.372 4.510 14.017 1.00 0.00 C ATOM 1574 CG ASN A 97 12.335 5.623 13.783 1.00 0.00 C ATOM 1575 OD1 ASN A 97 11.326 5.704 14.495 1.00 0.00 O ATOM 1576 ND2 ASN A 97 12.515 6.477 12.830 1.00 0.00 N ATOM 0 H ASN A 97 15.070 3.001 15.092 1.00 0.00 H new ATOM 0 HA ASN A 97 13.219 4.780 16.138 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.378 4.904 13.875 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.235 3.714 13.285 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.827 7.213 12.668 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.345 6.415 12.240 1.00 0.00 H new ATOM 1583 N TYR A 98 10.946 3.860 16.071 1.00 0.00 N ATOM 1584 CA TYR A 98 9.606 3.345 16.178 1.00 0.00 C ATOM 1585 C TYR A 98 9.026 3.223 14.783 1.00 0.00 C ATOM 1586 O TYR A 98 8.312 2.267 14.467 1.00 0.00 O ATOM 1587 CB TYR A 98 8.777 4.313 17.023 1.00 0.00 C ATOM 1588 CG TYR A 98 9.428 4.403 18.382 1.00 0.00 C ATOM 1589 CD1 TYR A 98 10.483 5.304 18.580 1.00 0.00 C ATOM 1590 CD2 TYR A 98 8.996 3.586 19.435 1.00 0.00 C ATOM 1591 CE1 TYR A 98 11.104 5.386 19.826 1.00 0.00 C ATOM 1592 CE2 TYR A 98 9.620 3.671 20.683 1.00 0.00 C ATOM 1593 CZ TYR A 98 10.675 4.572 20.879 1.00 0.00 C ATOM 1594 OH TYR A 98 11.292 4.654 22.108 1.00 0.00 O ATOM 0 H TYR A 98 11.056 4.798 16.456 1.00 0.00 H new ATOM 0 HA TYR A 98 9.599 2.365 16.654 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.737 5.295 16.552 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.750 3.960 17.113 1.00 0.00 H new ATOM 0 HD1 TYR A 98 10.815 5.934 17.768 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.183 2.892 19.283 1.00 0.00 H new ATOM 0 HE1 TYR A 98 11.918 6.080 19.978 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.289 3.042 21.496 1.00 0.00 H new ATOM 0 HH TYR A 98 10.872 4.022 22.728 1.00 0.00 H new ATOM 1604 N GLN A 99 9.381 4.180 13.938 1.00 0.00 N ATOM 1605 CA GLN A 99 8.942 4.201 12.555 1.00 0.00 C ATOM 1606 C GLN A 99 9.989 3.563 11.640 1.00 0.00 C ATOM 1607 O GLN A 99 11.131 4.006 11.598 1.00 0.00 O ATOM 1608 CB GLN A 99 8.692 5.647 12.105 1.00 0.00 C ATOM 1609 CG GLN A 99 7.695 6.329 13.053 1.00 0.00 C ATOM 1610 CD GLN A 99 6.324 5.678 12.933 1.00 0.00 C ATOM 1611 OE1 GLN A 99 5.874 5.331 11.764 1.00 0.00 O flip ATOM 1612 NE2 GLN A 99 5.645 5.477 13.934 1.00 0.00 N flip ATOM 0 H GLN A 99 9.982 4.963 14.194 1.00 0.00 H new ATOM 0 HA GLN A 99 8.017 3.628 12.486 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.631 6.200 12.093 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.303 5.657 11.087 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.051 6.256 14.081 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.624 7.390 12.815 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.997 5.749 14.852 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.728 5.038 13.849 1.00 0.00 H new ATOM 1621 N PRO A 100 9.610 2.556 10.894 1.00 0.00 N ATOM 1622 CA PRO A 100 10.523 1.903 9.896 1.00 0.00 C ATOM 1623 C PRO A 100 10.740 2.780 8.652 1.00 0.00 C ATOM 1624 O PRO A 100 9.868 3.576 8.293 1.00 0.00 O ATOM 1625 CB PRO A 100 9.782 0.615 9.540 1.00 0.00 C ATOM 1626 CG PRO A 100 8.343 0.968 9.686 1.00 0.00 C ATOM 1627 CD PRO A 100 8.265 1.939 10.868 1.00 0.00 C ATOM 0 HA PRO A 100 11.524 1.732 10.293 1.00 0.00 H new ATOM 0 HB2 PRO A 100 10.011 0.291 8.525 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.061 -0.202 10.206 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.960 1.430 8.776 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.740 0.079 9.871 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.483 2.685 10.724 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.043 1.420 11.800 1.00 0.00 H new ATOM 1635 N ASP A 101 11.870 2.594 7.984 1.00 0.00 N ATOM 1636 CA ASP A 101 12.163 3.310 6.732 1.00 0.00 C ATOM 1637 C ASP A 101 11.307 2.733 5.620 1.00 0.00 C ATOM 1638 O ASP A 101 11.203 1.520 5.512 1.00 0.00 O ATOM 1639 CB ASP A 101 13.639 3.117 6.347 1.00 0.00 C ATOM 1640 CG ASP A 101 14.566 3.778 7.336 1.00 0.00 C ATOM 1641 OD1 ASP A 101 14.501 4.975 7.469 1.00 0.00 O ATOM 1642 OD2 ASP A 101 15.366 3.069 7.924 1.00 0.00 O ATOM 0 H ASP A 101 12.606 1.954 8.282 1.00 0.00 H new ATOM 0 HA ASP A 101 11.953 4.370 6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.864 2.052 6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.813 3.530 5.353 1.00 0.00 H new ATOM 1647 N PHE A 102 10.790 3.576 4.725 1.00 0.00 N ATOM 1648 CA PHE A 102 10.007 3.076 3.591 1.00 0.00 C ATOM 1649 C PHE A 102 10.918 2.812 2.406 1.00 0.00 C ATOM 1650 O PHE A 102 11.314 3.745 1.700 1.00 0.00 O ATOM 1651 CB PHE A 102 8.957 4.108 3.167 1.00 0.00 C ATOM 1652 CG PHE A 102 8.023 4.417 4.309 1.00 0.00 C ATOM 1653 CD1 PHE A 102 7.018 3.514 4.648 1.00 0.00 C ATOM 1654 CD2 PHE A 102 8.152 5.618 5.016 1.00 0.00 C ATOM 1655 CE1 PHE A 102 6.138 3.803 5.692 1.00 0.00 C ATOM 1656 CE2 PHE A 102 7.273 5.912 6.066 1.00 0.00 C ATOM 1657 CZ PHE A 102 6.264 5.004 6.404 1.00 0.00 C ATOM 0 H PHE A 102 10.895 4.590 4.760 1.00 0.00 H new ATOM 0 HA PHE A 102 9.515 2.155 3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.451 5.022 2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.388 3.728 2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.920 2.588 4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.930 6.319 4.752 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.359 3.101 5.952 1.00 0.00 H new ATOM 0 HE2 PHE A 102 7.374 6.838 6.613 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.583 5.228 7.212 1.00 0.00 H new ATOM 1667 N ILE A 103 11.255 1.548 2.182 1.00 0.00 N ATOM 1668 CA ILE A 103 12.102 1.194 1.053 1.00 0.00 C ATOM 1669 C ILE A 103 11.390 1.423 -0.280 1.00 0.00 C ATOM 1670 O ILE A 103 11.984 1.928 -1.220 1.00 0.00 O ATOM 1671 CB ILE A 103 12.583 -0.265 1.157 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.542 -0.415 2.348 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.320 -0.658 -0.133 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.821 -1.899 2.597 1.00 0.00 C ATOM 0 H ILE A 103 10.959 0.761 2.759 1.00 0.00 H new ATOM 0 HA ILE A 103 12.972 1.850 1.087 1.00 0.00 H new ATOM 0 HB ILE A 103 11.719 -0.914 1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.474 0.112 2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.106 0.038 3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.660 -1.691 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.644 -0.559 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 103 14.179 -0.003 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.501 -2.005 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.886 -2.413 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.275 -2.338 1.709 1.00 0.00 H new ATOM 1686 N ASN A 104 10.140 0.979 -0.360 1.00 0.00 N ATOM 1687 CA ASN A 104 9.351 1.022 -1.596 1.00 0.00 C ATOM 1688 C ASN A 104 7.875 1.097 -1.245 1.00 0.00 C ATOM 1689 O ASN A 104 7.456 0.572 -0.205 1.00 0.00 O ATOM 1690 CB ASN A 104 9.582 -0.274 -2.388 1.00 0.00 C ATOM 1691 CG ASN A 104 8.969 -0.166 -3.791 1.00 0.00 C ATOM 1692 OD1 ASN A 104 8.197 0.741 -4.077 1.00 0.00 O ATOM 1693 ND2 ASN A 104 9.284 -1.030 -4.682 1.00 0.00 N ATOM 0 H ASN A 104 9.639 0.576 0.432 1.00 0.00 H new ATOM 0 HA ASN A 104 9.650 1.890 -2.184 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.651 -0.473 -2.467 1.00 0.00 H new ATOM 0 HB3 ASN A 104 9.139 -1.116 -1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.893 -0.960 -5.621 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.926 -1.788 -4.452 1.00 0.00 H new ATOM 1700 N MET A 105 7.073 1.628 -2.145 1.00 0.00 N ATOM 1701 CA MET A 105 5.625 1.627 -1.971 1.00 0.00 C ATOM 1702 C MET A 105 4.910 2.087 -3.225 1.00 0.00 C ATOM 1703 O MET A 105 5.259 3.126 -3.812 1.00 0.00 O ATOM 1704 CB MET A 105 5.194 2.418 -0.715 1.00 0.00 C ATOM 1705 CG MET A 105 4.464 3.715 -1.070 1.00 0.00 C ATOM 1706 SD MET A 105 2.785 3.347 -1.643 1.00 0.00 S ATOM 1707 CE MET A 105 2.063 2.954 -0.030 1.00 0.00 C ATOM 0 H MET A 105 7.395 2.068 -3.007 1.00 0.00 H new ATOM 0 HA MET A 105 5.319 0.595 -1.801 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.545 1.794 -0.100 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.074 2.651 -0.115 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.424 4.369 -0.199 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.012 4.250 -1.846 1.00 0.00 H new ATOM 0 HE1 MET A 105 1.012 3.244 -0.021 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.145 1.883 0.154 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.596 3.498 0.750 1.00 0.00 H new ATOM 1717 N TYR A 106 3.905 1.326 -3.637 1.00 0.00 N ATOM 1718 CA TYR A 106 3.163 1.653 -4.839 1.00 0.00 C ATOM 1719 C TYR A 106 1.702 1.277 -4.743 1.00 0.00 C ATOM 1720 O TYR A 106 1.293 0.493 -3.875 1.00 0.00 O ATOM 1721 CB TYR A 106 3.810 1.026 -6.079 1.00 0.00 C ATOM 1722 CG TYR A 106 3.912 -0.472 -5.930 1.00 0.00 C ATOM 1723 CD1 TYR A 106 5.002 -1.030 -5.254 1.00 0.00 C ATOM 1724 CD2 TYR A 106 2.926 -1.303 -6.475 1.00 0.00 C ATOM 1725 CE1 TYR A 106 5.105 -2.410 -5.123 1.00 0.00 C ATOM 1726 CE2 TYR A 106 3.034 -2.687 -6.342 1.00 0.00 C ATOM 1727 CZ TYR A 106 4.123 -3.239 -5.667 1.00 0.00 C ATOM 1728 OH TYR A 106 4.230 -4.607 -5.531 1.00 0.00 O ATOM 0 H TYR A 106 3.589 0.483 -3.157 1.00 0.00 H new ATOM 0 HA TYR A 106 3.203 2.737 -4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.222 1.269 -6.964 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.803 1.449 -6.230 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.763 -0.389 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.084 -0.873 -6.997 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.946 -2.841 -4.600 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.275 -3.331 -6.761 1.00 0.00 H new ATOM 0 HH TYR A 106 3.465 -5.040 -5.965 1.00 0.00 H new ATOM 1738 N VAL A 107 0.922 1.862 -5.631 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.504 1.645 -5.688 1.00 0.00 C ATOM 1740 C VAL A 107 -0.874 1.047 -7.044 1.00 0.00 C ATOM 1741 O VAL A 107 -0.502 1.590 -8.098 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.215 2.997 -5.483 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.707 2.888 -5.802 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.024 3.466 -4.037 1.00 0.00 C ATOM 0 H VAL A 107 1.268 2.508 -6.340 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.814 0.951 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.774 3.724 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.184 3.856 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.836 2.580 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.167 2.149 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.528 4.422 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.448 2.728 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.040 3.582 -3.830 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.609 -0.059 -7.013 1.00 0.00 N ATOM 1755 CA ASP A 108 -2.065 -0.727 -8.230 1.00 0.00 C ATOM 1756 C ASP A 108 -3.518 -0.377 -8.472 1.00 0.00 C ATOM 1757 O ASP A 108 -4.389 -0.717 -7.648 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.942 -2.250 -8.101 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.875 -2.913 -9.469 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -2.283 -2.309 -10.439 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -1.408 -4.025 -9.528 1.00 0.00 O ATOM 0 H ASP A 108 -1.905 -0.517 -6.151 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.443 -0.393 -9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.048 -2.498 -7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.795 -2.641 -7.546 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.791 0.302 -9.561 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.151 0.668 -9.898 1.00 0.00 C ATOM 1768 C VAL A 109 -5.597 -0.107 -11.137 1.00 0.00 C ATOM 1769 O VAL A 109 -4.913 -0.093 -12.163 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.247 2.185 -10.134 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.702 2.583 -10.418 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.746 2.930 -8.887 1.00 0.00 C ATOM 0 H VAL A 109 -3.089 0.614 -10.232 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.813 0.412 -9.070 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.631 2.452 -10.993 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.759 3.659 -10.584 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.056 2.060 -11.306 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.326 2.313 -9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.814 4.005 -9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.360 2.656 -8.029 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.709 2.658 -8.693 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.692 -0.824 -11.055 1.00 0.00 N ATOM 1783 CA PRO A 110 -7.162 -1.641 -12.218 1.00 0.00 C ATOM 1784 C PRO A 110 -7.402 -0.764 -13.446 1.00 0.00 C ATOM 1785 O PRO A 110 -7.901 0.356 -13.333 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.480 -2.253 -11.718 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.341 -2.274 -10.232 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.559 -1.016 -9.874 1.00 0.00 C ATOM 0 HA PRO A 110 -6.434 -2.391 -12.528 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.338 -1.656 -12.028 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.629 -3.256 -12.117 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.317 -2.279 -9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.815 -3.170 -9.900 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.217 -0.163 -9.712 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.977 -1.147 -8.962 1.00 0.00 H new ATOM 1796 N GLY A 111 -7.033 -1.265 -14.610 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.199 -0.522 -15.860 1.00 0.00 C ATOM 1798 C GLY A 111 -6.260 0.679 -15.932 1.00 0.00 C ATOM 1799 O GLY A 111 -6.019 1.228 -17.017 1.00 0.00 O ATOM 0 H GLY A 111 -6.613 -2.188 -14.723 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.009 -1.184 -16.705 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.231 -0.183 -15.947 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.722 1.082 -14.782 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.795 2.210 -14.703 1.00 0.00 C ATOM 1805 C GLU A 112 -3.368 1.748 -14.470 1.00 0.00 C ATOM 1806 O GLU A 112 -3.104 0.556 -14.283 1.00 0.00 O ATOM 1807 CB GLU A 112 -5.201 3.203 -13.612 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.356 4.106 -14.102 1.00 0.00 C ATOM 1809 CD GLU A 112 -5.893 5.032 -15.225 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -4.701 5.093 -15.477 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -6.718 5.699 -15.788 1.00 0.00 O ATOM 0 H GLU A 112 -5.915 0.639 -13.884 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.843 2.716 -15.667 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.509 2.663 -12.717 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.344 3.817 -13.334 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.181 3.487 -14.454 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.735 4.700 -13.270 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.450 2.692 -14.531 1.00 0.00 N ATOM 1819 CA LYS A 113 -1.039 2.403 -14.349 1.00 0.00 C ATOM 1820 C LYS A 113 -0.714 2.253 -12.886 1.00 0.00 C ATOM 1821 O LYS A 113 -1.314 2.906 -12.027 1.00 0.00 O ATOM 1822 CB LYS A 113 -0.166 3.513 -14.945 1.00 0.00 C ATOM 1823 CG LYS A 113 -0.348 3.570 -16.470 1.00 0.00 C ATOM 1824 CD LYS A 113 -1.637 4.329 -16.822 1.00 0.00 C ATOM 1825 CE LYS A 113 -2.671 3.348 -17.405 1.00 0.00 C ATOM 1826 NZ LYS A 113 -3.979 4.036 -17.564 1.00 0.00 N ATOM 0 H LYS A 113 -2.658 3.675 -14.707 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.827 1.468 -14.868 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -0.434 4.473 -14.503 1.00 0.00 H new ATOM 0 HB3 LYS A 113 0.881 3.332 -14.703 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.510 4.063 -16.928 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.390 2.560 -16.877 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -2.041 4.813 -15.932 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.421 5.117 -17.543 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.327 2.972 -18.369 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.780 2.486 -16.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.732 3.328 -17.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.171 4.615 -16.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.950 4.647 -18.405 1.00 0.00 H new ATOM 1840 N ARG A 114 0.294 1.459 -12.618 1.00 0.00 N ATOM 1841 CA ARG A 114 0.779 1.278 -11.269 1.00 0.00 C ATOM 1842 C ARG A 114 1.450 2.566 -10.812 1.00 0.00 C ATOM 1843 O ARG A 114 2.198 3.191 -11.581 1.00 0.00 O ATOM 1844 CB ARG A 114 1.769 0.107 -11.244 1.00 0.00 C ATOM 1845 CG ARG A 114 3.132 0.552 -11.784 1.00 0.00 C ATOM 1846 CD ARG A 114 3.996 -0.676 -12.064 1.00 0.00 C ATOM 1847 NE ARG A 114 5.375 -0.280 -12.365 1.00 0.00 N ATOM 1848 CZ ARG A 114 5.704 0.357 -13.487 1.00 0.00 C ATOM 1849 NH1 ARG A 114 4.784 0.628 -14.375 1.00 0.00 N ATOM 1850 NH2 ARG A 114 6.945 0.694 -13.701 1.00 0.00 N ATOM 0 H ARG A 114 0.799 0.923 -13.323 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.044 1.050 -10.592 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.878 -0.265 -10.225 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.384 -0.717 -11.845 1.00 0.00 H new ATOM 0 HG2 ARG A 114 3.001 1.133 -12.697 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.627 1.201 -11.061 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.983 -1.341 -11.200 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.581 -1.235 -12.903 1.00 0.00 H new ATOM 0 HE ARG A 114 6.108 -0.500 -11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.817 0.352 -14.208 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.034 1.116 -15.235 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.661 0.470 -13.010 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.200 1.182 -14.560 1.00 0.00 H new ATOM 1864 N TYR A 115 1.145 2.999 -9.613 1.00 0.00 N ATOM 1865 CA TYR A 115 1.688 4.250 -9.103 1.00 0.00 C ATOM 1866 C TYR A 115 2.662 3.978 -7.979 1.00 0.00 C ATOM 1867 O TYR A 115 2.291 3.366 -6.982 1.00 0.00 O ATOM 1868 CB TYR A 115 0.545 5.133 -8.596 1.00 0.00 C ATOM 1869 CG TYR A 115 1.097 6.420 -8.037 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.325 7.510 -8.882 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.377 6.521 -6.673 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.832 8.700 -8.361 1.00 0.00 C ATOM 1873 CE2 TYR A 115 1.882 7.709 -6.153 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.110 8.799 -6.997 1.00 0.00 C ATOM 1875 OH TYR A 115 2.609 9.969 -6.484 1.00 0.00 O ATOM 0 H TYR A 115 0.525 2.510 -8.967 1.00 0.00 H new ATOM 0 HA TYR A 115 2.216 4.763 -9.907 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.148 5.348 -9.409 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -0.020 4.605 -7.827 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.109 7.431 -9.937 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.202 5.678 -6.022 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.009 9.543 -9.012 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.098 7.788 -5.098 1.00 0.00 H new ATOM 0 HH TYR A 115 2.282 10.725 -7.015 1.00 0.00 H new ATOM 1885 N TYR A 116 3.883 4.491 -8.099 1.00 0.00 N ATOM 1886 CA TYR A 116 4.866 4.326 -7.036 1.00 0.00 C ATOM 1887 C TYR A 116 4.980 5.576 -6.196 1.00 0.00 C ATOM 1888 O TYR A 116 5.754 6.489 -6.504 1.00 0.00 O ATOM 1889 CB TYR A 116 6.238 3.942 -7.608 1.00 0.00 C ATOM 1890 CG TYR A 116 6.280 2.455 -7.840 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.575 1.888 -8.903 1.00 0.00 C ATOM 1892 CD2 TYR A 116 7.017 1.640 -6.970 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.604 0.506 -9.093 1.00 0.00 C ATOM 1894 CE2 TYR A 116 7.047 0.261 -7.167 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.340 -0.306 -8.227 1.00 0.00 C ATOM 1896 OH TYR A 116 6.361 -1.669 -8.415 1.00 0.00 O ATOM 0 H TYR A 116 4.211 5.017 -8.909 1.00 0.00 H new ATOM 0 HA TYR A 116 4.520 3.515 -6.395 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.417 4.473 -8.543 1.00 0.00 H new ATOM 0 HB3 TYR A 116 7.028 4.237 -6.918 1.00 0.00 H new ATOM 0 HD1 TYR A 116 5.010 2.516 -9.575 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.561 2.080 -6.148 1.00 0.00 H new ATOM 0 HE1 TYR A 116 5.056 0.063 -9.912 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.617 -0.368 -6.500 1.00 0.00 H new ATOM 0 HH TYR A 116 6.038 -2.116 -7.605 1.00 0.00 H new ATOM 1906 N LEU A 117 4.297 5.559 -5.074 1.00 0.00 N ATOM 1907 CA LEU A 117 4.385 6.627 -4.104 1.00 0.00 C ATOM 1908 C LEU A 117 5.795 6.694 -3.533 1.00 0.00 C ATOM 1909 O LEU A 117 6.378 7.774 -3.408 1.00 0.00 O ATOM 1910 CB LEU A 117 3.358 6.399 -2.992 1.00 0.00 C ATOM 1911 CG LEU A 117 3.447 7.502 -1.927 1.00 0.00 C ATOM 1912 CD1 LEU A 117 3.189 8.877 -2.552 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.410 7.235 -0.839 1.00 0.00 C ATOM 0 H LEU A 117 3.665 4.804 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 117 4.166 7.578 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.355 6.379 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.527 5.427 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 117 4.449 7.497 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.256 9.645 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.933 9.071 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.193 8.894 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.469 8.016 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.413 7.232 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.606 6.266 -0.379 1.00 0.00 H new ATOM 1925 N ILE A 118 6.344 5.531 -3.215 1.00 0.00 N ATOM 1926 CA ILE A 118 7.695 5.430 -2.688 1.00 0.00 C ATOM 1927 C ILE A 118 8.519 4.526 -3.585 1.00 0.00 C ATOM 1928 O ILE A 118 8.076 3.440 -3.957 1.00 0.00 O ATOM 1929 CB ILE A 118 7.678 4.897 -1.246 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.896 5.874 -0.358 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.112 4.774 -0.712 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.715 5.280 1.041 1.00 0.00 C ATOM 0 H ILE A 118 5.867 4.635 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 118 8.146 6.422 -2.670 1.00 0.00 H new ATOM 0 HB ILE A 118 7.205 3.915 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.427 6.824 -0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.923 6.083 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.088 4.396 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.677 4.086 -1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.591 5.753 -0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.159 5.980 1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.165 4.342 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.692 5.094 1.487 1.00 0.00 H new ATOM 1944 N LYS A 119 9.669 5.009 -3.995 1.00 0.00 N ATOM 1945 CA LYS A 119 10.509 4.280 -4.927 1.00 0.00 C ATOM 1946 C LYS A 119 11.523 3.399 -4.202 1.00 0.00 C ATOM 1947 O LYS A 119 12.192 3.842 -3.268 1.00 0.00 O ATOM 1948 CB LYS A 119 11.229 5.248 -5.873 1.00 0.00 C ATOM 1949 CG LYS A 119 10.299 6.420 -6.259 1.00 0.00 C ATOM 1950 CD LYS A 119 9.075 5.885 -7.023 1.00 0.00 C ATOM 1951 CE LYS A 119 8.461 7.007 -7.876 1.00 0.00 C ATOM 1952 NZ LYS A 119 7.604 7.870 -7.025 1.00 0.00 N ATOM 0 H LYS A 119 10.049 5.908 -3.698 1.00 0.00 H new ATOM 0 HA LYS A 119 9.860 3.629 -5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.129 5.633 -5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.548 4.718 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.976 6.950 -5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.840 7.137 -6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.369 5.051 -7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.334 5.504 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.251 7.602 -8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.872 6.579 -8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.258 8.676 -7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.795 7.318 -6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.158 8.221 -6.218 1.00 0.00 H new ATOM 1966 N PRO A 120 11.678 2.186 -4.660 1.00 0.00 N ATOM 1967 CA PRO A 120 12.657 1.217 -4.099 1.00 0.00 C ATOM 1968 C PRO A 120 14.090 1.601 -4.401 1.00 0.00 C ATOM 1969 O PRO A 120 14.356 2.452 -5.258 1.00 0.00 O ATOM 1970 CB PRO A 120 12.298 -0.099 -4.770 1.00 0.00 C ATOM 1971 CG PRO A 120 11.653 0.288 -6.053 1.00 0.00 C ATOM 1972 CD PRO A 120 10.966 1.627 -5.818 1.00 0.00 C ATOM 0 HA PRO A 120 12.601 1.175 -3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.185 -0.709 -4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 120 11.622 -0.687 -4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 120 12.394 0.369 -6.848 1.00 0.00 H new ATOM 0 HG3 PRO A 120 10.931 -0.467 -6.365 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.047 2.277 -6.689 1.00 0.00 H new ATOM 0 HD3 PRO A 120 9.903 1.501 -5.612 1.00 0.00 H new ATOM 1980 N LYS A 121 15.007 0.991 -3.679 1.00 0.00 N ATOM 1981 CA LYS A 121 16.416 1.275 -3.846 1.00 0.00 C ATOM 1982 C LYS A 121 16.891 0.708 -5.164 1.00 0.00 C ATOM 1983 O LYS A 121 17.420 -0.401 -5.230 1.00 0.00 O ATOM 1984 CB LYS A 121 17.226 0.684 -2.687 1.00 0.00 C ATOM 1985 CG LYS A 121 16.414 0.747 -1.380 1.00 0.00 C ATOM 1986 CD LYS A 121 15.656 2.085 -1.267 1.00 0.00 C ATOM 1987 CE LYS A 121 15.576 2.519 0.200 1.00 0.00 C ATOM 1988 NZ LYS A 121 16.912 2.980 0.646 1.00 0.00 N ATOM 0 H LYS A 121 14.799 0.291 -2.967 1.00 0.00 H new ATOM 0 HA LYS A 121 16.564 2.355 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.490 -0.350 -2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 121 18.160 1.234 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.706 -0.081 -1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.082 0.629 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 121 16.163 2.851 -1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.652 1.980 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.845 3.319 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 121 15.239 1.688 0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 16.803 3.644 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 17.476 2.162 0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 17.395 3.458 -0.141 1.00 0.00 H new ATOM 2002 N LEU A 122 16.601 1.424 -6.217 1.00 0.00 N ATOM 2003 CA LEU A 122 16.885 0.959 -7.553 1.00 0.00 C ATOM 2004 C LEU A 122 18.388 0.776 -7.769 1.00 0.00 C ATOM 2005 O LEU A 122 18.812 -0.141 -8.473 1.00 0.00 O ATOM 2006 CB LEU A 122 16.268 1.900 -8.596 1.00 0.00 C ATOM 2007 CG LEU A 122 14.728 1.820 -8.490 1.00 0.00 C ATOM 2008 CD1 LEU A 122 14.070 2.862 -9.390 1.00 0.00 C ATOM 2009 CD2 LEU A 122 14.246 0.427 -8.897 1.00 0.00 C ATOM 0 H LEU A 122 16.162 2.344 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 122 16.424 -0.021 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 122 16.605 2.923 -8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.593 1.618 -9.598 1.00 0.00 H new ATOM 0 HG LEU A 122 14.448 2.017 -7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 122 12.986 2.788 -9.300 1.00 0.00 H new ATOM 0 HD12 LEU A 122 14.392 3.859 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 122 14.361 2.684 -10.425 1.00 0.00 H new ATOM 0 HD21 LEU A 122 13.160 0.381 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 122 14.545 0.225 -9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.689 -0.319 -8.237 1.00 0.00 H new ATOM 2021 N HIS A 123 19.183 1.668 -7.204 1.00 0.00 N ATOM 2022 CA HIS A 123 20.641 1.599 -7.335 1.00 0.00 C ATOM 2023 C HIS A 123 21.277 0.977 -6.090 1.00 0.00 C ATOM 2024 O HIS A 123 21.394 1.640 -5.059 1.00 0.00 O ATOM 2025 CB HIS A 123 21.235 2.999 -7.565 1.00 0.00 C ATOM 2026 CG HIS A 123 20.261 4.063 -7.138 1.00 0.00 C ATOM 2027 ND1 HIS A 123 19.315 4.585 -8.005 1.00 0.00 N ATOM 2028 CD2 HIS A 123 20.073 4.707 -5.939 1.00 0.00 C ATOM 2029 CE1 HIS A 123 18.603 5.503 -7.320 1.00 0.00 C ATOM 2030 NE2 HIS A 123 19.027 5.617 -6.055 1.00 0.00 N ATOM 0 H HIS A 123 18.849 2.454 -6.647 1.00 0.00 H new ATOM 0 HA HIS A 123 20.862 0.969 -8.197 1.00 0.00 H new ATOM 0 HB2 HIS A 123 22.164 3.103 -7.004 1.00 0.00 H new ATOM 0 HB3 HIS A 123 21.483 3.126 -8.619 1.00 0.00 H new ATOM 0 HD2 HIS A 123 20.650 4.533 -5.043 1.00 0.00 H new ATOM 0 HE1 HIS A 123 17.790 6.076 -7.740 1.00 0.00 H new ATOM 0 HE2 HIS A 123 18.662 6.237 -5.332 1.00 0.00 H new ATOM 2039 N PRO A 124 21.687 -0.277 -6.157 1.00 0.00 N ATOM 2040 CA PRO A 124 22.337 -0.957 -4.977 1.00 0.00 C ATOM 2041 C PRO A 124 23.544 -0.164 -4.478 1.00 0.00 C ATOM 2042 O PRO A 124 23.738 0.010 -3.274 1.00 0.00 O ATOM 2043 CB PRO A 124 22.806 -2.302 -5.552 1.00 0.00 C ATOM 2044 CG PRO A 124 21.915 -2.542 -6.720 1.00 0.00 C ATOM 2045 CD PRO A 124 21.671 -1.168 -7.335 1.00 0.00 C ATOM 0 HA PRO A 124 21.658 -1.053 -4.130 1.00 0.00 H new ATOM 0 HB2 PRO A 124 23.853 -2.261 -5.854 1.00 0.00 H new ATOM 0 HB3 PRO A 124 22.718 -3.101 -4.815 1.00 0.00 H new ATOM 0 HG2 PRO A 124 22.382 -3.216 -7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 124 20.978 -3.005 -6.410 1.00 0.00 H new ATOM 0 HD2 PRO A 124 22.446 -0.903 -8.054 1.00 0.00 H new ATOM 0 HD3 PRO A 124 20.718 -1.124 -7.863 1.00 0.00 H new ATOM 2053 N VAL A 125 24.330 0.320 -5.425 1.00 0.00 N ATOM 2054 CA VAL A 125 25.523 1.111 -5.151 1.00 0.00 C ATOM 2055 C VAL A 125 25.763 2.054 -6.331 1.00 0.00 C ATOM 2056 O VAL A 125 24.809 2.510 -6.979 1.00 0.00 O ATOM 2057 CB VAL A 125 26.761 0.197 -4.943 1.00 0.00 C ATOM 2058 CG1 VAL A 125 27.859 0.959 -4.181 1.00 0.00 C ATOM 2059 CG2 VAL A 125 26.376 -1.064 -4.148 1.00 0.00 C ATOM 0 H VAL A 125 24.157 0.174 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 125 25.373 1.682 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 125 27.134 -0.099 -5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 125 28.723 0.309 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 125 28.156 1.838 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 125 27.478 1.271 -3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 125 27.257 -1.692 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 125 25.984 -0.774 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 125 25.615 -1.620 -4.695 1.00 0.00 H new ATOM 2069 N SER A 126 27.024 2.251 -6.682 1.00 0.00 N ATOM 2070 CA SER A 126 27.370 3.043 -7.837 1.00 0.00 C ATOM 2071 C SER A 126 26.720 2.406 -9.056 1.00 0.00 C ATOM 2072 O SER A 126 26.738 1.177 -9.196 1.00 0.00 O ATOM 2073 CB SER A 126 28.887 3.020 -8.004 1.00 0.00 C ATOM 2074 OG SER A 126 29.493 3.003 -6.709 1.00 0.00 O ATOM 0 H SER A 126 27.823 1.869 -6.177 1.00 0.00 H new ATOM 0 HA SER A 126 27.028 4.072 -7.722 1.00 0.00 H new ATOM 0 HB2 SER A 126 29.191 2.142 -8.574 1.00 0.00 H new ATOM 0 HB3 SER A 126 29.218 3.894 -8.564 1.00 0.00 H new ATOM 0 HG SER A 126 30.468 2.986 -6.804 1.00 0.00 H new ATOM 2080 N ASN A 127 26.080 3.210 -9.883 1.00 0.00 N ATOM 2081 CA ASN A 127 25.340 2.688 -11.029 1.00 0.00 C ATOM 2082 C ASN A 127 25.410 3.640 -12.209 1.00 0.00 C ATOM 2083 O ASN A 127 25.850 4.743 -12.022 1.00 0.00 O ATOM 2084 CB ASN A 127 23.877 2.451 -10.649 1.00 0.00 C ATOM 2085 CG ASN A 127 23.315 3.679 -9.959 1.00 0.00 C ATOM 2086 OD1 ASN A 127 22.558 4.442 -10.561 1.00 0.00 O ATOM 2087 ND2 ASN A 127 23.631 3.919 -8.724 1.00 0.00 N ATOM 2088 OXT ASN A 127 25.015 3.253 -13.280 1.00 0.00 O ATOM 0 H ASN A 127 26.054 4.225 -9.788 1.00 0.00 H new ATOM 0 HA ASN A 127 25.799 1.743 -11.320 1.00 0.00 H new ATOM 0 HB2 ASN A 127 23.293 2.226 -11.541 1.00 0.00 H new ATOM 0 HB3 ASN A 127 23.799 1.586 -9.990 1.00 0.00 H new ATOM 0 HD21 ASN A 127 23.253 4.740 -8.251 1.00 0.00 H new ATOM 0 HD22 ASN A 127 24.258 3.287 -8.226 1.00 0.00 H new TER 2095 ASN A 127