USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 635 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 Single : A 3 THR OG1 : rot 47:sc= 0.073 USER MOD Single : A 4 THR OG1 : rot 33:sc= 0.317 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0395 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.7) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -6.36! C(o=-6.4!,f=-9.2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.1) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.691 X(o=-0.69,f=-1.1) USER MOD Single : A 62 HIS : no HD1:sc= -12.5! C(o=-13!,f=-24!) USER MOD Single : A 63 CYS SG : rot 180:sc= -3.7! USER MOD Single : A 69 THR OG1 : rot 42:sc= 0.393 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.05 F(o=-2.1,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -131:sc= 0.765 (180deg=-0.0126) USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 1.879 -18.496 -1.235 1.00 0.00 N ATOM 30 CA THR A 3 3.021 -18.642 -2.122 1.00 0.00 C ATOM 31 C THR A 3 3.797 -17.327 -2.213 1.00 0.00 C ATOM 32 O THR A 3 3.228 -16.252 -2.031 1.00 0.00 O ATOM 33 CB THR A 3 2.509 -19.141 -3.473 1.00 0.00 C ATOM 34 OG1 THR A 3 2.133 -20.493 -3.226 1.00 0.00 O ATOM 35 CG2 THR A 3 3.621 -19.249 -4.518 1.00 0.00 C ATOM 0 HA THR A 3 3.730 -19.375 -1.737 1.00 0.00 H new ATOM 0 HB THR A 3 1.733 -18.467 -3.837 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.601 -20.540 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.203 -19.608 -5.458 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.072 -18.269 -4.672 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.382 -19.948 -4.169 1.00 0.00 H new ATOM 43 N THR A 4 5.085 -17.455 -2.496 1.00 0.00 N ATOM 44 CA THR A 4 5.945 -16.289 -2.615 1.00 0.00 C ATOM 45 C THR A 4 6.302 -16.036 -4.080 1.00 0.00 C ATOM 46 O THR A 4 6.778 -16.937 -4.771 1.00 0.00 O ATOM 47 CB THR A 4 7.167 -16.510 -1.721 1.00 0.00 C ATOM 48 OG1 THR A 4 7.746 -17.714 -2.216 1.00 0.00 O ATOM 49 CG2 THR A 4 6.784 -16.847 -0.279 1.00 0.00 C ATOM 0 H THR A 4 5.554 -18.348 -2.646 1.00 0.00 H new ATOM 0 HA THR A 4 5.436 -15.386 -2.277 1.00 0.00 H new ATOM 0 HB THR A 4 7.791 -15.616 -1.732 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.597 -17.775 -3.183 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.688 -16.994 0.313 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.203 -16.028 0.144 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.188 -17.760 -0.265 1.00 0.00 H new ATOM 57 N ILE A 5 6.060 -14.808 -4.513 1.00 0.00 N ATOM 58 CA ILE A 5 6.349 -14.426 -5.884 1.00 0.00 C ATOM 59 C ILE A 5 7.482 -13.398 -5.894 1.00 0.00 C ATOM 60 O ILE A 5 7.536 -12.520 -5.035 1.00 0.00 O ATOM 61 CB ILE A 5 5.078 -13.947 -6.588 1.00 0.00 C ATOM 62 CG1 ILE A 5 5.410 -12.965 -7.713 1.00 0.00 C ATOM 63 CG2 ILE A 5 4.086 -13.354 -5.584 1.00 0.00 C ATOM 64 CD1 ILE A 5 4.211 -12.769 -8.642 1.00 0.00 C ATOM 0 H ILE A 5 5.666 -14.064 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 5 6.694 -15.288 -6.454 1.00 0.00 H new ATOM 0 HB ILE A 5 4.596 -14.810 -7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.705 -12.006 -7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.261 -13.336 -8.285 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.191 -13.021 -6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.814 -14.112 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.545 -12.506 -5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.474 -12.066 -9.433 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.933 -13.726 -9.084 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.370 -12.375 -8.072 1.00 0.00 H new ATOM 75 N SER A 6 8.360 -13.541 -6.875 1.00 0.00 N ATOM 76 CA SER A 6 9.490 -12.636 -7.008 1.00 0.00 C ATOM 77 C SER A 6 9.037 -11.330 -7.663 1.00 0.00 C ATOM 78 O SER A 6 7.903 -11.223 -8.126 1.00 0.00 O ATOM 79 CB SER A 6 10.616 -13.276 -7.821 1.00 0.00 C ATOM 80 OG SER A 6 10.423 -14.678 -7.990 1.00 0.00 O ATOM 0 H SER A 6 8.312 -14.270 -7.586 1.00 0.00 H new ATOM 0 HA SER A 6 9.877 -12.421 -6.012 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.674 -12.798 -8.799 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.569 -13.099 -7.322 1.00 0.00 H new ATOM 0 HG SER A 6 11.162 -15.049 -8.516 1.00 0.00 H new ATOM 85 N PRO A 7 9.974 -10.344 -7.683 1.00 0.00 N ATOM 86 CA PRO A 7 9.684 -9.048 -8.274 1.00 0.00 C ATOM 87 C PRO A 7 9.687 -9.129 -9.802 1.00 0.00 C ATOM 88 O PRO A 7 10.105 -10.136 -10.373 1.00 0.00 O ATOM 89 CB PRO A 7 10.753 -8.117 -7.727 1.00 0.00 C ATOM 90 CG PRO A 7 11.870 -9.016 -7.222 1.00 0.00 C ATOM 91 CD PRO A 7 11.328 -10.434 -7.145 1.00 0.00 C ATOM 0 HA PRO A 7 8.689 -8.683 -8.019 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.116 -7.441 -8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.357 -7.497 -6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.728 -8.971 -7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 7 12.213 -8.685 -6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.940 -11.124 -7.726 1.00 0.00 H new ATOM 0 HD3 PRO A 7 11.322 -10.800 -6.118 1.00 0.00 H new ATOM 96 N HIS A 8 9.218 -8.056 -10.421 1.00 0.00 N ATOM 97 CA HIS A 8 9.162 -7.993 -11.871 1.00 0.00 C ATOM 98 C HIS A 8 7.843 -8.593 -12.361 1.00 0.00 C ATOM 99 O HIS A 8 7.181 -8.024 -13.228 1.00 0.00 O ATOM 100 CB HIS A 8 10.387 -8.669 -12.492 1.00 0.00 C ATOM 101 CG HIS A 8 10.850 -8.035 -13.783 1.00 0.00 C ATOM 102 ND1 HIS A 8 10.154 -8.164 -14.972 1.00 0.00 N ATOM 103 CD2 HIS A 8 11.943 -7.268 -14.057 1.00 0.00 C ATOM 104 CE1 HIS A 8 10.810 -7.500 -15.913 1.00 0.00 C ATOM 105 NE2 HIS A 8 11.918 -6.946 -15.344 1.00 0.00 N ATOM 0 H HIS A 8 8.873 -7.223 -9.944 1.00 0.00 H new ATOM 0 HA HIS A 8 9.190 -6.952 -12.194 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.206 -8.645 -11.773 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.156 -9.718 -12.677 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.701 -6.972 -13.347 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.518 -7.413 -16.949 1.00 0.00 H new ATOM 0 HE2 HIS A 8 12.613 -6.378 -15.828 1.00 0.00 H new ATOM 112 N ASP A 9 7.499 -9.735 -11.783 1.00 0.00 N ATOM 113 CA ASP A 9 6.270 -10.419 -12.150 1.00 0.00 C ATOM 114 C ASP A 9 5.097 -9.791 -11.394 1.00 0.00 C ATOM 115 O ASP A 9 3.987 -9.710 -11.918 1.00 0.00 O ATOM 116 CB ASP A 9 6.332 -11.901 -11.778 1.00 0.00 C ATOM 117 CG ASP A 9 6.717 -12.839 -12.923 1.00 0.00 C ATOM 118 OD1 ASP A 9 7.868 -13.293 -13.018 1.00 0.00 O ATOM 119 OD2 ASP A 9 5.766 -13.107 -13.753 1.00 0.00 O ATOM 0 H ASP A 9 8.050 -10.204 -11.064 1.00 0.00 H new ATOM 0 HA ASP A 9 6.140 -10.323 -13.228 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.050 -12.027 -10.968 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.359 -12.204 -11.391 1.00 0.00 H new ATOM 124 N ALA A 10 5.384 -9.361 -10.173 1.00 0.00 N ATOM 125 CA ALA A 10 4.367 -8.742 -9.340 1.00 0.00 C ATOM 126 C ALA A 10 4.081 -7.330 -9.855 1.00 0.00 C ATOM 127 O ALA A 10 2.971 -6.822 -9.701 1.00 0.00 O ATOM 128 CB ALA A 10 4.827 -8.749 -7.881 1.00 0.00 C ATOM 0 H ALA A 10 6.306 -9.429 -9.741 1.00 0.00 H new ATOM 0 HA ALA A 10 3.435 -9.306 -9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.064 -8.285 -7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.987 -9.777 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.759 -8.191 -7.791 1.00 0.00 H new ATOM 134 N GLN A 11 5.102 -6.736 -10.455 1.00 0.00 N ATOM 135 CA GLN A 11 4.975 -5.392 -10.993 1.00 0.00 C ATOM 136 C GLN A 11 3.971 -5.375 -12.146 1.00 0.00 C ATOM 137 O GLN A 11 3.593 -4.310 -12.630 1.00 0.00 O ATOM 138 CB GLN A 11 6.334 -4.850 -11.441 1.00 0.00 C ATOM 139 CG GLN A 11 6.179 -3.511 -12.164 1.00 0.00 C ATOM 140 CD GLN A 11 7.542 -2.867 -12.425 1.00 0.00 C ATOM 141 OE1 GLN A 11 8.563 -3.529 -12.513 1.00 0.00 O ATOM 142 NE2 GLN A 11 7.502 -1.543 -12.543 1.00 0.00 N ATOM 0 H GLN A 11 6.021 -7.161 -10.581 1.00 0.00 H new ATOM 0 HA GLN A 11 4.603 -4.739 -10.203 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.984 -4.726 -10.575 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.817 -5.570 -12.101 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.658 -3.662 -13.109 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.564 -2.839 -11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.613 -1.050 -12.459 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.360 -1.020 -12.718 1.00 0.00 H new ATOM 149 N GLU A 12 3.566 -6.569 -12.555 1.00 0.00 N ATOM 150 CA GLU A 12 2.613 -6.705 -13.643 1.00 0.00 C ATOM 151 C GLU A 12 1.206 -6.938 -13.090 1.00 0.00 C ATOM 152 O GLU A 12 0.327 -6.091 -13.244 1.00 0.00 O ATOM 153 CB GLU A 12 3.022 -7.834 -14.592 1.00 0.00 C ATOM 154 CG GLU A 12 3.107 -7.332 -16.035 1.00 0.00 C ATOM 155 CD GLU A 12 2.594 -8.389 -17.015 1.00 0.00 C ATOM 156 OE1 GLU A 12 1.705 -9.179 -16.663 1.00 0.00 O ATOM 157 OE2 GLU A 12 3.152 -8.372 -18.177 1.00 0.00 O ATOM 0 H GLU A 12 3.881 -7.451 -12.152 1.00 0.00 H new ATOM 0 HA GLU A 12 2.609 -5.777 -14.215 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.987 -8.239 -14.287 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.300 -8.648 -14.528 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.522 -6.418 -16.141 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.140 -7.079 -16.275 1.00 0.00 H new ATOM 163 N LEU A 13 1.036 -8.089 -12.458 1.00 0.00 N ATOM 164 CA LEU A 13 -0.250 -8.443 -11.880 1.00 0.00 C ATOM 165 C LEU A 13 -0.851 -7.216 -11.193 1.00 0.00 C ATOM 166 O LEU A 13 -2.015 -6.883 -11.414 1.00 0.00 O ATOM 167 CB LEU A 13 -0.108 -9.656 -10.959 1.00 0.00 C ATOM 168 CG LEU A 13 1.034 -9.596 -9.942 1.00 0.00 C ATOM 169 CD1 LEU A 13 0.529 -9.125 -8.577 1.00 0.00 C ATOM 170 CD2 LEU A 13 1.759 -10.940 -9.852 1.00 0.00 C ATOM 0 H LEU A 13 1.767 -8.789 -12.333 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.948 -8.745 -12.661 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.044 -9.787 -10.417 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.029 -10.543 -11.578 1.00 0.00 H new ATOM 0 HG LEU A 13 1.760 -8.861 -10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.361 -9.091 -7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.095 -8.130 -8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.229 -9.818 -8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.566 -10.870 -9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.056 -11.713 -9.542 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.173 -11.196 -10.827 1.00 0.00 H new ATOM 181 N ILE A 14 -0.031 -6.575 -10.372 1.00 0.00 N ATOM 182 CA ILE A 14 -0.467 -5.392 -9.650 1.00 0.00 C ATOM 183 C ILE A 14 -1.047 -4.381 -10.642 1.00 0.00 C ATOM 184 O ILE A 14 -2.021 -3.694 -10.335 1.00 0.00 O ATOM 185 CB ILE A 14 0.674 -4.833 -8.798 1.00 0.00 C ATOM 186 CG1 ILE A 14 0.402 -5.048 -7.308 1.00 0.00 C ATOM 187 CG2 ILE A 14 0.934 -3.362 -9.128 1.00 0.00 C ATOM 188 CD1 ILE A 14 1.693 -5.373 -6.556 1.00 0.00 C ATOM 0 H ILE A 14 0.933 -6.853 -10.191 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.262 -5.644 -8.949 1.00 0.00 H new ATOM 0 HB ILE A 14 1.583 -5.383 -9.041 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.054 -4.153 -6.885 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.313 -5.861 -7.179 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.750 -2.989 -8.509 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.204 -3.267 -10.180 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.033 -2.780 -8.931 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.471 -5.521 -5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.133 -6.282 -6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.396 -4.548 -6.667 1.00 0.00 H new ATOM 199 N ALA A 15 -0.424 -4.321 -11.810 1.00 0.00 N ATOM 200 CA ALA A 15 -0.866 -3.406 -12.848 1.00 0.00 C ATOM 201 C ALA A 15 -2.010 -4.048 -13.636 1.00 0.00 C ATOM 202 O ALA A 15 -2.435 -3.520 -14.662 1.00 0.00 O ATOM 203 CB ALA A 15 0.320 -3.034 -13.740 1.00 0.00 C ATOM 0 H ALA A 15 0.384 -4.892 -12.060 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.246 -2.483 -12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.012 -2.347 -14.519 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.092 -2.554 -13.138 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.726 -3.935 -14.200 1.00 0.00 H new ATOM 209 N ARG A 16 -2.475 -5.179 -13.125 1.00 0.00 N ATOM 210 CA ARG A 16 -3.561 -5.899 -13.769 1.00 0.00 C ATOM 211 C ARG A 16 -4.824 -5.834 -12.909 1.00 0.00 C ATOM 212 O ARG A 16 -5.937 -5.814 -13.433 1.00 0.00 O ATOM 213 CB ARG A 16 -3.188 -7.364 -14.004 1.00 0.00 C ATOM 214 CG ARG A 16 -1.913 -7.477 -14.842 1.00 0.00 C ATOM 215 CD ARG A 16 -2.238 -7.452 -16.338 1.00 0.00 C ATOM 216 NE ARG A 16 -0.987 -7.501 -17.127 1.00 0.00 N ATOM 217 CZ ARG A 16 -0.880 -7.070 -18.403 1.00 0.00 C ATOM 218 NH1 ARG A 16 -1.949 -6.554 -19.044 1.00 0.00 N ATOM 219 NH2 ARG A 16 0.287 -7.163 -19.013 1.00 0.00 N ATOM 0 H ARG A 16 -2.120 -5.614 -12.273 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.748 -5.424 -14.732 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.044 -7.864 -13.046 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.007 -7.875 -14.510 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.239 -6.656 -14.598 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.391 -8.401 -14.595 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.873 -8.299 -16.595 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.797 -6.549 -16.582 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.154 -7.884 -16.680 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.847 -6.487 -18.565 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.859 -6.231 -20.007 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.090 -7.555 -18.521 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.386 -6.843 -19.976 1.00 0.00 H new ATOM 229 N GLY A 17 -4.610 -5.802 -11.601 1.00 0.00 N ATOM 230 CA GLY A 17 -5.718 -5.739 -10.663 1.00 0.00 C ATOM 231 C GLY A 17 -5.310 -6.289 -9.294 1.00 0.00 C ATOM 232 O GLY A 17 -5.920 -5.955 -8.280 1.00 0.00 O ATOM 0 H GLY A 17 -3.686 -5.819 -11.169 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.053 -4.707 -10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.561 -6.310 -11.052 1.00 0.00 H new ATOM 236 N ALA A 18 -4.281 -7.123 -9.311 1.00 0.00 N ATOM 237 CA ALA A 18 -3.783 -7.722 -8.084 1.00 0.00 C ATOM 238 C ALA A 18 -3.890 -6.707 -6.946 1.00 0.00 C ATOM 239 O ALA A 18 -3.155 -5.721 -6.917 1.00 0.00 O ATOM 240 CB ALA A 18 -2.348 -8.209 -8.298 1.00 0.00 C ATOM 0 H ALA A 18 -3.778 -7.398 -10.155 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.384 -8.589 -7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.975 -8.658 -7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.331 -8.951 -9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.715 -7.365 -8.573 1.00 0.00 H new ATOM 246 N LYS A 19 -4.813 -6.981 -6.035 1.00 0.00 N ATOM 247 CA LYS A 19 -5.026 -6.104 -4.897 1.00 0.00 C ATOM 248 C LYS A 19 -4.030 -6.460 -3.790 1.00 0.00 C ATOM 249 O LYS A 19 -4.019 -7.587 -3.300 1.00 0.00 O ATOM 250 CB LYS A 19 -6.488 -6.154 -4.448 1.00 0.00 C ATOM 251 CG LYS A 19 -7.350 -5.205 -5.282 1.00 0.00 C ATOM 252 CD LYS A 19 -6.988 -3.746 -5.001 1.00 0.00 C ATOM 253 CE LYS A 19 -6.137 -3.166 -6.133 1.00 0.00 C ATOM 254 NZ LYS A 19 -6.719 -1.896 -6.621 1.00 0.00 N ATOM 0 H LYS A 19 -5.422 -7.799 -6.063 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.837 -5.067 -5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.866 -7.172 -4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.558 -5.884 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.213 -5.420 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.403 -5.372 -5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.898 -3.157 -4.887 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.443 -3.677 -4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.120 -2.995 -5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.074 -3.882 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.129 -1.516 -7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.681 -2.069 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.757 -1.209 -5.841 1.00 0.00 H new ATOM 263 N LEU A 20 -3.217 -5.476 -3.431 1.00 0.00 N ATOM 264 CA LEU A 20 -2.220 -5.671 -2.393 1.00 0.00 C ATOM 265 C LEU A 20 -2.688 -4.984 -1.108 1.00 0.00 C ATOM 266 O LEU A 20 -3.196 -3.865 -1.147 1.00 0.00 O ATOM 267 CB LEU A 20 -0.846 -5.202 -2.875 1.00 0.00 C ATOM 268 CG LEU A 20 0.359 -5.929 -2.275 1.00 0.00 C ATOM 269 CD1 LEU A 20 1.671 -5.299 -2.747 1.00 0.00 C ATOM 270 CD2 LEU A 20 0.264 -5.981 -0.748 1.00 0.00 C ATOM 0 H LEU A 20 -3.229 -4.542 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.108 -6.731 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.807 -5.309 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.750 -4.139 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 20 0.350 -6.958 -2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.511 -5.835 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.733 -5.359 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.705 -4.254 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.133 -6.503 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.235 -4.966 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.643 -6.511 -0.458 1.00 0.00 H new ATOM 281 N ILE A 21 -2.500 -5.685 0.001 1.00 0.00 N ATOM 282 CA ILE A 21 -2.897 -5.156 1.296 1.00 0.00 C ATOM 283 C ILE A 21 -1.647 -4.904 2.143 1.00 0.00 C ATOM 284 O ILE A 21 -0.649 -5.610 2.009 1.00 0.00 O ATOM 285 CB ILE A 21 -3.915 -6.083 1.963 1.00 0.00 C ATOM 286 CG1 ILE A 21 -4.941 -6.592 0.948 1.00 0.00 C ATOM 287 CG2 ILE A 21 -4.582 -5.395 3.156 1.00 0.00 C ATOM 288 CD1 ILE A 21 -5.484 -5.445 0.094 1.00 0.00 C ATOM 0 H ILE A 21 -2.079 -6.613 0.030 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.402 -4.197 1.178 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.384 -6.954 2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.480 -7.342 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.763 -7.081 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.301 -6.075 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.823 -5.123 3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.097 -4.496 2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.211 -5.835 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.965 -4.709 0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.663 -4.973 -0.446 1.00 0.00 H new ATOM 299 N ASP A 22 -1.745 -3.895 2.995 1.00 0.00 N ATOM 300 CA ASP A 22 -0.635 -3.539 3.864 1.00 0.00 C ATOM 301 C ASP A 22 -0.937 -4.011 5.288 1.00 0.00 C ATOM 302 O ASP A 22 -1.346 -3.218 6.134 1.00 0.00 O ATOM 303 CB ASP A 22 -0.427 -2.024 3.901 1.00 0.00 C ATOM 304 CG ASP A 22 0.709 -1.505 3.018 1.00 0.00 C ATOM 305 OD1 ASP A 22 0.576 -0.468 2.350 1.00 0.00 O ATOM 306 OD2 ASP A 22 1.781 -2.223 3.032 1.00 0.00 O ATOM 0 H ASP A 22 -2.575 -3.312 3.103 1.00 0.00 H new ATOM 0 HA ASP A 22 0.265 -4.016 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.354 -1.538 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.232 -1.724 4.931 1.00 0.00 H new ATOM 311 N ILE A 23 -0.724 -5.301 5.508 1.00 0.00 N ATOM 312 CA ILE A 23 -0.968 -5.886 6.815 1.00 0.00 C ATOM 313 C ILE A 23 0.240 -5.629 7.719 1.00 0.00 C ATOM 314 O ILE A 23 0.779 -6.557 8.319 1.00 0.00 O ATOM 315 CB ILE A 23 -1.329 -7.367 6.679 1.00 0.00 C ATOM 316 CG1 ILE A 23 -0.098 -8.201 6.318 1.00 0.00 C ATOM 317 CG2 ILE A 23 -2.468 -7.563 5.676 1.00 0.00 C ATOM 318 CD1 ILE A 23 0.196 -9.240 7.403 1.00 0.00 C ATOM 0 H ILE A 23 -0.385 -5.956 4.803 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.828 -5.413 7.289 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.686 -7.722 7.646 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.260 -8.702 5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.765 -7.547 6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.705 -8.624 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.349 -7.018 6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.162 -7.187 4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.075 -9.820 7.123 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.382 -8.734 8.350 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.660 -9.907 7.509 1.00 0.00 H new ATOM 329 N ARG A 24 0.629 -4.364 7.786 1.00 0.00 N ATOM 330 CA ARG A 24 1.763 -3.973 8.605 1.00 0.00 C ATOM 331 C ARG A 24 1.363 -2.850 9.565 1.00 0.00 C ATOM 332 O ARG A 24 0.936 -3.111 10.688 1.00 0.00 O ATOM 333 CB ARG A 24 2.933 -3.501 7.739 1.00 0.00 C ATOM 334 CG ARG A 24 2.472 -3.205 6.310 1.00 0.00 C ATOM 335 CD ARG A 24 3.479 -2.311 5.584 1.00 0.00 C ATOM 336 NE ARG A 24 2.909 -0.960 5.390 1.00 0.00 N ATOM 337 CZ ARG A 24 3.155 -0.181 4.314 1.00 0.00 C ATOM 338 NH1 ARG A 24 3.966 -0.614 3.326 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.592 1.011 4.245 1.00 0.00 N ATOM 0 H ARG A 24 0.179 -3.597 7.286 1.00 0.00 H new ATOM 0 HA ARG A 24 2.077 -4.848 9.174 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.375 -2.605 8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.710 -4.265 7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.349 -4.140 5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.497 -2.718 6.332 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.402 -2.246 6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.736 -2.748 4.619 1.00 0.00 H new ATOM 0 HE ARG A 24 2.291 -0.593 6.114 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.398 -1.536 3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.146 -0.020 2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.982 1.331 4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.767 1.612 3.440 1.00 0.00 H new ATOM 349 N ASP A 25 1.514 -1.624 9.085 1.00 0.00 N ATOM 350 CA ASP A 25 1.174 -0.460 9.887 1.00 0.00 C ATOM 351 C ASP A 25 0.750 0.683 8.963 1.00 0.00 C ATOM 352 O ASP A 25 0.594 0.487 7.759 1.00 0.00 O ATOM 353 CB ASP A 25 2.374 0.015 10.707 1.00 0.00 C ATOM 354 CG ASP A 25 2.342 -0.372 12.187 1.00 0.00 C ATOM 355 OD1 ASP A 25 2.097 -1.536 12.538 1.00 0.00 O ATOM 356 OD2 ASP A 25 2.582 0.594 13.008 1.00 0.00 O ATOM 0 H ASP A 25 1.867 -1.411 8.152 1.00 0.00 H new ATOM 0 HA ASP A 25 0.366 -0.740 10.562 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.282 -0.390 10.261 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.439 1.101 10.632 1.00 0.00 H new ATOM 361 N ALA A 26 0.575 1.852 9.562 1.00 0.00 N ATOM 362 CA ALA A 26 0.172 3.026 8.808 1.00 0.00 C ATOM 363 C ALA A 26 1.390 3.923 8.581 1.00 0.00 C ATOM 364 O ALA A 26 1.612 4.404 7.470 1.00 0.00 O ATOM 365 CB ALA A 26 -0.954 3.749 9.551 1.00 0.00 C ATOM 0 H ALA A 26 0.705 2.011 10.561 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.214 2.740 7.830 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.256 4.630 8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.806 3.079 9.661 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.602 4.054 10.537 1.00 0.00 H new ATOM 371 N ASP A 27 2.146 4.121 9.649 1.00 0.00 N ATOM 372 CA ASP A 27 3.337 4.953 9.579 1.00 0.00 C ATOM 373 C ASP A 27 4.165 4.548 8.358 1.00 0.00 C ATOM 374 O ASP A 27 4.926 5.355 7.826 1.00 0.00 O ATOM 375 CB ASP A 27 4.209 4.771 10.824 1.00 0.00 C ATOM 376 CG ASP A 27 3.547 5.177 12.142 1.00 0.00 C ATOM 377 OD1 ASP A 27 2.436 5.727 12.156 1.00 0.00 O ATOM 378 OD2 ASP A 27 4.229 4.903 13.202 1.00 0.00 O ATOM 0 H ASP A 27 1.959 3.721 10.568 1.00 0.00 H new ATOM 0 HA ASP A 27 3.019 5.993 9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.506 3.724 10.891 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.121 5.354 10.698 1.00 0.00 H new ATOM 383 N GLU A 28 3.990 3.300 7.951 1.00 0.00 N ATOM 384 CA GLU A 28 4.712 2.779 6.803 1.00 0.00 C ATOM 385 C GLU A 28 4.244 3.472 5.522 1.00 0.00 C ATOM 386 O GLU A 28 5.058 3.974 4.750 1.00 0.00 O ATOM 387 CB GLU A 28 4.549 1.261 6.696 1.00 0.00 C ATOM 388 CG GLU A 28 4.779 0.588 8.050 1.00 0.00 C ATOM 389 CD GLU A 28 6.027 1.148 8.736 1.00 0.00 C ATOM 390 OE1 GLU A 28 5.972 1.518 9.918 1.00 0.00 O ATOM 391 OE2 GLU A 28 7.082 1.192 7.996 1.00 0.00 O ATOM 0 H GLU A 28 3.358 2.634 8.396 1.00 0.00 H new ATOM 0 HA GLU A 28 5.773 2.989 6.940 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.549 1.024 6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.255 0.867 5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.909 0.741 8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.888 -0.488 7.912 1.00 0.00 H new ATOM 397 N TYR A 29 2.931 3.478 5.336 1.00 0.00 N ATOM 398 CA TYR A 29 2.345 4.102 4.163 1.00 0.00 C ATOM 399 C TYR A 29 2.756 5.572 4.059 1.00 0.00 C ATOM 400 O TYR A 29 2.879 6.110 2.960 1.00 0.00 O ATOM 401 CB TYR A 29 0.829 4.022 4.355 1.00 0.00 C ATOM 402 CG TYR A 29 0.024 4.710 3.251 1.00 0.00 C ATOM 403 CD1 TYR A 29 -0.212 6.068 3.313 1.00 0.00 C ATOM 404 CD2 TYR A 29 -0.466 3.972 2.192 1.00 0.00 C ATOM 405 CE1 TYR A 29 -0.969 6.716 2.274 1.00 0.00 C ATOM 406 CE2 TYR A 29 -1.224 4.620 1.153 1.00 0.00 C ATOM 407 CZ TYR A 29 -1.437 5.960 1.246 1.00 0.00 C ATOM 408 OH TYR A 29 -2.153 6.571 0.264 1.00 0.00 O ATOM 0 H TYR A 29 2.258 3.060 5.978 1.00 0.00 H new ATOM 0 HA TYR A 29 2.679 3.600 3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.534 2.974 4.406 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.570 4.472 5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.171 6.645 4.141 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.281 2.909 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.161 7.778 2.311 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.614 4.055 0.319 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.422 5.908 -0.406 1.00 0.00 H new ATOM 417 N LEU A 30 2.959 6.180 5.219 1.00 0.00 N ATOM 418 CA LEU A 30 3.354 7.576 5.273 1.00 0.00 C ATOM 419 C LEU A 30 4.597 7.784 4.405 1.00 0.00 C ATOM 420 O LEU A 30 4.499 8.282 3.285 1.00 0.00 O ATOM 421 CB LEU A 30 3.535 8.027 6.724 1.00 0.00 C ATOM 422 CG LEU A 30 4.503 9.190 6.949 1.00 0.00 C ATOM 423 CD1 LEU A 30 4.436 10.191 5.794 1.00 0.00 C ATOM 424 CD2 LEU A 30 4.250 9.859 8.302 1.00 0.00 C ATOM 0 H LEU A 30 2.857 5.730 6.129 1.00 0.00 H new ATOM 0 HA LEU A 30 2.568 8.210 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.560 8.310 7.120 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.881 7.174 7.308 1.00 0.00 H new ATOM 0 HG LEU A 30 5.517 8.791 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.134 11.008 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.702 9.691 4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.424 10.589 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.951 10.682 8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.230 10.242 8.333 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.388 9.130 9.100 1.00 0.00 H new ATOM 435 N ARG A 31 5.736 7.392 4.955 1.00 0.00 N ATOM 436 CA ARG A 31 6.996 7.530 4.245 1.00 0.00 C ATOM 437 C ARG A 31 6.906 6.865 2.871 1.00 0.00 C ATOM 438 O ARG A 31 6.849 7.548 1.850 1.00 0.00 O ATOM 439 CB ARG A 31 8.145 6.898 5.036 1.00 0.00 C ATOM 440 CG ARG A 31 8.879 7.950 5.870 1.00 0.00 C ATOM 441 CD ARG A 31 9.934 8.676 5.032 1.00 0.00 C ATOM 442 NE ARG A 31 11.067 9.087 5.890 1.00 0.00 N ATOM 443 CZ ARG A 31 12.262 9.504 5.418 1.00 0.00 C ATOM 444 NH1 ARG A 31 12.489 9.566 4.088 1.00 0.00 N ATOM 445 NH2 ARG A 31 13.204 9.848 6.275 1.00 0.00 N ATOM 0 H ARG A 31 5.813 6.979 5.884 1.00 0.00 H new ATOM 0 HA ARG A 31 7.195 8.595 4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.755 6.117 5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.844 6.420 4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.163 8.671 6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.355 7.473 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.289 8.023 4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.492 9.551 4.555 1.00 0.00 H new ATOM 0 HE ARG A 31 10.938 9.053 6.901 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.755 9.297 3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.394 9.882 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.025 9.797 7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.112 10.165 5.935 1.00 0.00 H new ATOM 455 N GLU A 32 6.897 5.539 2.889 1.00 0.00 N ATOM 456 CA GLU A 32 6.815 4.775 1.656 1.00 0.00 C ATOM 457 C GLU A 32 5.436 4.127 1.525 1.00 0.00 C ATOM 458 O GLU A 32 4.585 4.289 2.398 1.00 0.00 O ATOM 459 CB GLU A 32 7.924 3.724 1.589 1.00 0.00 C ATOM 460 CG GLU A 32 9.276 4.372 1.287 1.00 0.00 C ATOM 461 CD GLU A 32 9.913 4.931 2.562 1.00 0.00 C ATOM 462 OE1 GLU A 32 9.768 4.336 3.639 1.00 0.00 O ATOM 463 OE2 GLU A 32 10.577 6.026 2.404 1.00 0.00 O ATOM 0 H GLU A 32 6.945 4.975 3.738 1.00 0.00 H new ATOM 0 HA GLU A 32 6.955 5.457 0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.978 3.186 2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.688 2.990 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.943 3.637 0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.145 5.174 0.560 1.00 0.00 H new ATOM 469 N HIS A 33 5.258 3.407 0.427 1.00 0.00 N ATOM 470 CA HIS A 33 3.996 2.733 0.170 1.00 0.00 C ATOM 471 C HIS A 33 4.266 1.328 -0.374 1.00 0.00 C ATOM 472 O HIS A 33 4.793 0.475 0.337 1.00 0.00 O ATOM 473 CB HIS A 33 3.113 3.569 -0.758 1.00 0.00 C ATOM 474 CG HIS A 33 1.770 2.945 -1.053 1.00 0.00 C ATOM 475 ND1 HIS A 33 0.740 3.638 -1.666 1.00 0.00 N ATOM 476 CD2 HIS A 33 1.299 1.689 -0.815 1.00 0.00 C ATOM 477 CE1 HIS A 33 -0.299 2.826 -1.786 1.00 0.00 C ATOM 478 NE2 HIS A 33 0.049 1.617 -1.256 1.00 0.00 N ATOM 0 H HIS A 33 5.966 3.276 -0.295 1.00 0.00 H new ATOM 0 HA HIS A 33 3.441 2.623 1.102 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.956 4.549 -0.308 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.641 3.731 -1.698 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.776 4.610 -1.973 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.850 0.887 -0.346 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.253 3.076 -2.226 1.00 0.00 H new ATOM 485 N ILE A 34 3.891 1.134 -1.630 1.00 0.00 N ATOM 486 CA ILE A 34 4.086 -0.153 -2.278 1.00 0.00 C ATOM 487 C ILE A 34 3.453 -0.119 -3.670 1.00 0.00 C ATOM 488 O ILE A 34 2.741 0.825 -4.009 1.00 0.00 O ATOM 489 CB ILE A 34 3.560 -1.284 -1.391 1.00 0.00 C ATOM 490 CG1 ILE A 34 4.657 -2.313 -1.108 1.00 0.00 C ATOM 491 CG2 ILE A 34 2.315 -1.927 -2.004 1.00 0.00 C ATOM 492 CD1 ILE A 34 4.069 -3.721 -0.986 1.00 0.00 C ATOM 0 H ILE A 34 3.454 1.845 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 34 5.149 -0.354 -2.415 1.00 0.00 H new ATOM 0 HB ILE A 34 3.263 -0.858 -0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.396 -2.292 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.178 -2.051 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.961 -2.727 -1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.533 -1.175 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.562 -2.337 -2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.869 -4.433 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.348 -3.745 -0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.570 -3.989 -1.917 1.00 0.00 H new ATOM 503 N PRO A 35 3.743 -1.188 -4.459 1.00 0.00 N ATOM 504 CA PRO A 35 3.211 -1.288 -5.808 1.00 0.00 C ATOM 505 C PRO A 35 1.728 -1.664 -5.785 1.00 0.00 C ATOM 506 O PRO A 35 1.380 -2.839 -5.890 1.00 0.00 O ATOM 507 CB PRO A 35 4.078 -2.330 -6.496 1.00 0.00 C ATOM 508 CG PRO A 35 4.758 -3.107 -5.381 1.00 0.00 C ATOM 509 CD PRO A 35 4.583 -2.324 -4.090 1.00 0.00 C ATOM 0 HA PRO A 35 3.247 -0.341 -6.347 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.475 -2.989 -7.120 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.813 -1.858 -7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.320 -4.101 -5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.816 -3.245 -5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.111 -2.932 -3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.543 -1.995 -3.693 1.00 0.00 H new ATOM 514 N GLU A 36 0.894 -0.644 -5.647 1.00 0.00 N ATOM 515 CA GLU A 36 -0.544 -0.852 -5.609 1.00 0.00 C ATOM 516 C GLU A 36 -0.946 -1.539 -4.303 1.00 0.00 C ATOM 517 O GLU A 36 -0.856 -2.760 -4.187 1.00 0.00 O ATOM 518 CB GLU A 36 -1.013 -1.660 -6.821 1.00 0.00 C ATOM 519 CG GLU A 36 -1.774 -0.774 -7.809 1.00 0.00 C ATOM 520 CD GLU A 36 -0.820 0.162 -8.555 1.00 0.00 C ATOM 521 OE1 GLU A 36 -0.033 -0.296 -9.397 1.00 0.00 O ATOM 522 OE2 GLU A 36 -0.915 1.407 -8.232 1.00 0.00 O ATOM 0 H GLU A 36 1.186 0.329 -5.560 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.034 0.121 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.153 -2.110 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.654 -2.478 -6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.310 -1.398 -8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.521 -0.187 -7.275 1.00 0.00 H new ATOM 528 N ALA A 37 -1.382 -0.725 -3.353 1.00 0.00 N ATOM 529 CA ALA A 37 -1.798 -1.240 -2.059 1.00 0.00 C ATOM 530 C ALA A 37 -2.728 -0.226 -1.389 1.00 0.00 C ATOM 531 O ALA A 37 -3.109 0.771 -1.999 1.00 0.00 O ATOM 532 CB ALA A 37 -0.563 -1.548 -1.210 1.00 0.00 C ATOM 0 H ALA A 37 -1.456 0.287 -3.453 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.352 -2.171 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.876 -1.934 -0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.050 -2.293 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.017 -0.636 -1.068 1.00 0.00 H new ATOM 538 N ASP A 38 -3.067 -0.519 -0.142 1.00 0.00 N ATOM 539 CA ASP A 38 -3.947 0.354 0.618 1.00 0.00 C ATOM 540 C ASP A 38 -3.844 0.004 2.105 1.00 0.00 C ATOM 541 O ASP A 38 -3.884 -1.167 2.475 1.00 0.00 O ATOM 542 CB ASP A 38 -5.404 0.174 0.192 1.00 0.00 C ATOM 543 CG ASP A 38 -6.041 1.400 -0.468 1.00 0.00 C ATOM 544 OD1 ASP A 38 -6.348 1.393 -1.669 1.00 0.00 O ATOM 545 OD2 ASP A 38 -6.222 2.408 0.317 1.00 0.00 O ATOM 0 H ASP A 38 -2.749 -1.347 0.361 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.642 1.384 0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.463 -0.665 -0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.993 -0.095 1.069 1.00 0.00 H new ATOM 550 N LEU A 39 -3.712 1.044 2.916 1.00 0.00 N ATOM 551 CA LEU A 39 -3.602 0.862 4.353 1.00 0.00 C ATOM 552 C LEU A 39 -4.570 -0.236 4.799 1.00 0.00 C ATOM 553 O LEU A 39 -5.769 -0.154 4.539 1.00 0.00 O ATOM 554 CB LEU A 39 -3.806 2.193 5.079 1.00 0.00 C ATOM 555 CG LEU A 39 -3.558 2.180 6.589 1.00 0.00 C ATOM 556 CD1 LEU A 39 -2.322 1.346 6.933 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.461 3.604 7.142 1.00 0.00 C ATOM 0 H LEU A 39 -3.679 2.015 2.605 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.598 0.531 4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.146 2.934 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.828 2.528 4.902 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.412 1.706 7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.167 1.353 8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.469 0.321 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.448 1.770 6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.285 3.566 8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.637 4.127 6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.393 4.135 6.946 1.00 0.00 H new ATOM 568 N ALA A 40 -4.012 -1.237 5.463 1.00 0.00 N ATOM 569 CA ALA A 40 -4.811 -2.351 5.948 1.00 0.00 C ATOM 570 C ALA A 40 -3.944 -3.247 6.834 1.00 0.00 C ATOM 571 O ALA A 40 -3.539 -4.332 6.418 1.00 0.00 O ATOM 572 CB ALA A 40 -5.409 -3.107 4.759 1.00 0.00 C ATOM 0 H ALA A 40 -3.017 -1.301 5.677 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.642 -1.992 6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.008 -3.942 5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.040 -2.433 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.606 -3.485 4.127 1.00 0.00 H new ATOM 578 N PRO A 41 -3.678 -2.748 8.071 1.00 0.00 N ATOM 579 CA PRO A 41 -2.867 -3.493 9.020 1.00 0.00 C ATOM 580 C PRO A 41 -3.657 -4.658 9.620 1.00 0.00 C ATOM 581 O PRO A 41 -4.843 -4.522 9.916 1.00 0.00 O ATOM 582 CB PRO A 41 -2.436 -2.469 10.057 1.00 0.00 C ATOM 583 CG PRO A 41 -3.395 -1.299 9.912 1.00 0.00 C ATOM 584 CD PRO A 41 -4.142 -1.468 8.598 1.00 0.00 C ATOM 0 HA PRO A 41 -1.998 -3.960 8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.481 -2.888 11.062 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.406 -2.153 9.889 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.094 -1.273 10.748 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.850 -0.355 9.923 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.221 -1.471 8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.921 -0.653 7.909 1.00 0.00 H new ATOM 589 N LEU A 42 -2.965 -5.776 9.784 1.00 0.00 N ATOM 590 CA LEU A 42 -3.586 -6.965 10.345 1.00 0.00 C ATOM 591 C LEU A 42 -4.450 -6.566 11.543 1.00 0.00 C ATOM 592 O LEU A 42 -5.491 -7.172 11.793 1.00 0.00 O ATOM 593 CB LEU A 42 -2.527 -8.018 10.674 1.00 0.00 C ATOM 594 CG LEU A 42 -3.039 -9.450 10.853 1.00 0.00 C ATOM 595 CD1 LEU A 42 -3.787 -9.924 9.605 1.00 0.00 C ATOM 596 CD2 LEU A 42 -1.898 -10.396 11.232 1.00 0.00 C ATOM 0 H LEU A 42 -1.981 -5.884 9.539 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.248 -7.430 9.615 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.782 -8.016 9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.017 -7.718 11.589 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.751 -9.458 11.678 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.140 -10.944 9.758 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.638 -9.269 9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.116 -9.897 8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.288 -11.407 11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.144 -10.390 10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.448 -10.066 12.168 1.00 0.00 H new ATOM 607 N SER A 43 -3.986 -5.548 12.254 1.00 0.00 N ATOM 608 CA SER A 43 -4.703 -5.061 13.420 1.00 0.00 C ATOM 609 C SER A 43 -6.174 -4.827 13.071 1.00 0.00 C ATOM 610 O SER A 43 -7.051 -5.001 13.915 1.00 0.00 O ATOM 611 CB SER A 43 -4.073 -3.773 13.956 1.00 0.00 C ATOM 612 OG SER A 43 -3.271 -4.011 15.110 1.00 0.00 O ATOM 0 H SER A 43 -3.122 -5.047 12.045 1.00 0.00 H new ATOM 0 HA SER A 43 -4.638 -5.818 14.202 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.462 -3.317 13.177 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.860 -3.060 14.202 1.00 0.00 H new ATOM 0 HG SER A 43 -2.885 -3.165 15.421 1.00 0.00 H new ATOM 617 N VAL A 44 -6.398 -4.437 11.825 1.00 0.00 N ATOM 618 CA VAL A 44 -7.748 -4.177 11.353 1.00 0.00 C ATOM 619 C VAL A 44 -8.353 -5.476 10.814 1.00 0.00 C ATOM 620 O VAL A 44 -9.506 -5.793 11.102 1.00 0.00 O ATOM 621 CB VAL A 44 -7.732 -3.051 10.318 1.00 0.00 C ATOM 622 CG1 VAL A 44 -6.608 -2.054 10.610 1.00 0.00 C ATOM 623 CG2 VAL A 44 -7.616 -3.610 8.899 1.00 0.00 C ATOM 0 H VAL A 44 -5.668 -4.295 11.127 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.381 -3.838 12.173 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.680 -2.517 10.389 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.619 -1.264 9.860 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.756 -1.618 11.598 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.648 -2.569 10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.607 -2.788 8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.692 -4.181 8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.466 -4.260 8.693 1.00 0.00 H new ATOM 633 N LEU A 45 -7.548 -6.191 10.043 1.00 0.00 N ATOM 634 CA LEU A 45 -7.991 -7.447 9.461 1.00 0.00 C ATOM 635 C LEU A 45 -8.794 -8.230 10.501 1.00 0.00 C ATOM 636 O LEU A 45 -9.922 -8.645 10.236 1.00 0.00 O ATOM 637 CB LEU A 45 -6.800 -8.222 8.892 1.00 0.00 C ATOM 638 CG LEU A 45 -6.225 -7.696 7.576 1.00 0.00 C ATOM 639 CD1 LEU A 45 -6.894 -8.372 6.377 1.00 0.00 C ATOM 640 CD2 LEU A 45 -6.324 -6.171 7.504 1.00 0.00 C ATOM 0 H LEU A 45 -6.592 -5.925 9.807 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.656 -7.263 8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.005 -8.226 9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.103 -9.259 8.745 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.166 -7.951 7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.467 -7.980 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.727 -9.448 6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.965 -8.170 6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.908 -5.824 6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.370 -5.871 7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.765 -5.731 8.330 1.00 0.00 H new ATOM 651 N GLU A 46 -8.183 -8.410 11.662 1.00 0.00 N ATOM 652 CA GLU A 46 -8.827 -9.136 12.743 1.00 0.00 C ATOM 653 C GLU A 46 -10.119 -8.430 13.162 1.00 0.00 C ATOM 654 O GLU A 46 -11.106 -9.083 13.497 1.00 0.00 O ATOM 655 CB GLU A 46 -7.881 -9.299 13.935 1.00 0.00 C ATOM 656 CG GLU A 46 -7.213 -10.676 13.921 1.00 0.00 C ATOM 657 CD GLU A 46 -7.447 -11.412 15.241 1.00 0.00 C ATOM 658 OE1 GLU A 46 -8.447 -11.153 15.927 1.00 0.00 O ATOM 659 OE2 GLU A 46 -6.546 -12.283 15.547 1.00 0.00 O ATOM 0 H GLU A 46 -7.248 -8.065 11.878 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.081 -10.133 12.383 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.118 -8.521 13.908 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.436 -9.169 14.864 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.609 -11.268 13.095 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.143 -10.563 13.748 1.00 0.00 H new ATOM 665 N GLN A 47 -10.070 -7.107 13.126 1.00 0.00 N ATOM 666 CA GLN A 47 -11.224 -6.305 13.496 1.00 0.00 C ATOM 667 C GLN A 47 -12.306 -6.403 12.418 1.00 0.00 C ATOM 668 O GLN A 47 -13.494 -6.271 12.711 1.00 0.00 O ATOM 669 CB GLN A 47 -10.824 -4.850 13.742 1.00 0.00 C ATOM 670 CG GLN A 47 -11.407 -4.337 15.062 1.00 0.00 C ATOM 671 CD GLN A 47 -11.664 -2.829 14.998 1.00 0.00 C ATOM 672 OE1 GLN A 47 -11.171 -2.056 15.802 1.00 0.00 O ATOM 673 NE2 GLN A 47 -12.460 -2.458 14.000 1.00 0.00 N ATOM 0 H GLN A 47 -9.249 -6.570 12.846 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.631 -6.697 14.428 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.737 -4.766 13.763 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.176 -4.228 12.919 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.338 -4.859 15.280 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.719 -4.558 15.878 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.839 -3.158 13.362 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.692 -1.473 13.872 1.00 0.00 H new ATOM 680 N SER A 48 -11.857 -6.631 11.193 1.00 0.00 N ATOM 681 CA SER A 48 -12.771 -6.747 10.069 1.00 0.00 C ATOM 682 C SER A 48 -12.306 -7.860 9.129 1.00 0.00 C ATOM 683 O SER A 48 -12.920 -8.924 9.070 1.00 0.00 O ATOM 684 CB SER A 48 -12.882 -5.423 9.311 1.00 0.00 C ATOM 685 OG SER A 48 -14.217 -4.927 9.294 1.00 0.00 O ATOM 0 H SER A 48 -10.871 -6.739 10.954 1.00 0.00 H new ATOM 0 HA SER A 48 -13.759 -6.997 10.456 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.227 -4.685 9.774 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.534 -5.561 8.287 1.00 0.00 H new ATOM 0 HG SER A 48 -14.245 -4.080 8.802 1.00 0.00 H new ATOM 690 N GLY A 49 -11.225 -7.577 8.417 1.00 0.00 N ATOM 691 CA GLY A 49 -10.671 -8.542 7.482 1.00 0.00 C ATOM 692 C GLY A 49 -10.539 -7.936 6.083 1.00 0.00 C ATOM 693 O GLY A 49 -10.841 -6.760 5.881 1.00 0.00 O ATOM 0 H GLY A 49 -10.718 -6.693 8.469 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.694 -8.874 7.832 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.311 -9.423 7.442 1.00 0.00 H new ATOM 697 N LEU A 50 -10.086 -8.765 5.154 1.00 0.00 N ATOM 698 CA LEU A 50 -9.910 -8.326 3.781 1.00 0.00 C ATOM 699 C LEU A 50 -11.085 -7.432 3.380 1.00 0.00 C ATOM 700 O LEU A 50 -12.243 -7.823 3.523 1.00 0.00 O ATOM 701 CB LEU A 50 -9.708 -9.528 2.856 1.00 0.00 C ATOM 702 CG LEU A 50 -10.440 -9.471 1.514 1.00 0.00 C ATOM 703 CD1 LEU A 50 -9.646 -8.657 0.490 1.00 0.00 C ATOM 704 CD2 LEU A 50 -10.760 -10.878 1.003 1.00 0.00 C ATOM 0 H LEU A 50 -9.836 -9.739 5.326 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.006 -7.725 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.641 -9.636 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.028 -10.426 3.384 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.390 -8.959 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.189 -8.632 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.512 -7.640 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.670 -9.118 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.280 -10.809 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.833 -11.437 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.394 -11.392 1.725 1.00 0.00 H new ATOM 715 N PRO A 51 -10.739 -6.218 2.875 1.00 0.00 N ATOM 716 CA PRO A 51 -11.752 -5.267 2.453 1.00 0.00 C ATOM 717 C PRO A 51 -12.375 -5.683 1.119 1.00 0.00 C ATOM 718 O PRO A 51 -11.871 -6.583 0.449 1.00 0.00 O ATOM 719 CB PRO A 51 -11.031 -3.930 2.381 1.00 0.00 C ATOM 720 CG PRO A 51 -9.549 -4.261 2.312 1.00 0.00 C ATOM 721 CD PRO A 51 -9.378 -5.722 2.691 1.00 0.00 C ATOM 0 HA PRO A 51 -12.593 -5.215 3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.346 -3.363 1.505 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.255 -3.318 3.255 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.164 -4.080 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.984 -3.622 2.990 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.857 -6.276 1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.791 -5.829 3.603 1.00 0.00 H new ATOM 726 N ALA A 52 -13.462 -5.009 0.774 1.00 0.00 N ATOM 727 CA ALA A 52 -14.158 -5.298 -0.468 1.00 0.00 C ATOM 728 C ALA A 52 -13.452 -4.583 -1.622 1.00 0.00 C ATOM 729 O ALA A 52 -13.182 -5.187 -2.659 1.00 0.00 O ATOM 730 CB ALA A 52 -15.625 -4.885 -0.338 1.00 0.00 C ATOM 0 H ALA A 52 -13.878 -4.264 1.333 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.137 -6.367 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.148 -5.102 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.089 -5.442 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.685 -3.817 -0.128 1.00 0.00 H new ATOM 736 N LYS A 53 -13.174 -3.306 -1.403 1.00 0.00 N ATOM 737 CA LYS A 53 -12.505 -2.503 -2.413 1.00 0.00 C ATOM 738 C LYS A 53 -11.242 -3.229 -2.881 1.00 0.00 C ATOM 739 O LYS A 53 -10.854 -3.119 -4.044 1.00 0.00 O ATOM 740 CB LYS A 53 -12.241 -1.090 -1.885 1.00 0.00 C ATOM 741 CG LYS A 53 -11.480 -1.133 -0.558 1.00 0.00 C ATOM 742 CD LYS A 53 -12.013 -0.079 0.414 1.00 0.00 C ATOM 743 CE LYS A 53 -11.381 1.288 0.140 1.00 0.00 C ATOM 744 NZ LYS A 53 -11.517 2.168 1.322 1.00 0.00 N ATOM 0 H LYS A 53 -13.400 -2.808 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.145 -2.379 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.667 -0.525 -2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.187 -0.566 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.574 -2.124 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.418 -0.963 -0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.097 -0.008 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.800 -0.383 1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.327 1.165 -0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.861 1.751 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.083 3.091 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.525 2.300 1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.039 1.732 2.136 1.00 0.00 H new ATOM 753 N LEU A 54 -10.635 -3.955 -1.953 1.00 0.00 N ATOM 754 CA LEU A 54 -9.425 -4.699 -2.258 1.00 0.00 C ATOM 755 C LEU A 54 -9.699 -6.195 -2.101 1.00 0.00 C ATOM 756 O LEU A 54 -8.952 -6.900 -1.423 1.00 0.00 O ATOM 757 CB LEU A 54 -8.259 -4.195 -1.406 1.00 0.00 C ATOM 758 CG LEU A 54 -8.164 -2.678 -1.228 1.00 0.00 C ATOM 759 CD1 LEU A 54 -7.980 -2.309 0.245 1.00 0.00 C ATOM 760 CD2 LEU A 54 -7.059 -2.090 -2.108 1.00 0.00 C ATOM 0 H LEU A 54 -10.959 -4.044 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.128 -4.536 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.332 -4.653 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.329 -4.547 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.105 -2.237 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.915 -1.225 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.830 -2.676 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.063 -2.763 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.013 -1.011 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.102 -2.534 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.274 -2.306 -3.155 1.00 0.00 H new ATOM 771 N ARG A 55 -10.774 -6.638 -2.738 1.00 0.00 N ATOM 772 CA ARG A 55 -11.155 -8.038 -2.678 1.00 0.00 C ATOM 773 C ARG A 55 -11.037 -8.681 -4.062 1.00 0.00 C ATOM 774 O ARG A 55 -11.526 -9.788 -4.279 1.00 0.00 O ATOM 775 CB ARG A 55 -12.589 -8.197 -2.170 1.00 0.00 C ATOM 776 CG ARG A 55 -13.598 -7.710 -3.213 1.00 0.00 C ATOM 777 CD ARG A 55 -14.338 -8.887 -3.852 1.00 0.00 C ATOM 778 NE ARG A 55 -15.524 -8.399 -4.590 1.00 0.00 N ATOM 779 CZ ARG A 55 -16.606 -9.156 -4.869 1.00 0.00 C ATOM 780 NH1 ARG A 55 -16.661 -10.445 -4.473 1.00 0.00 N ATOM 781 NH2 ARG A 55 -17.610 -8.616 -5.535 1.00 0.00 N ATOM 0 H ARG A 55 -11.393 -6.051 -3.298 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.478 -8.536 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.781 -9.244 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.716 -7.634 -1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.315 -7.037 -2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.082 -7.138 -3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.672 -9.421 -4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.645 -9.595 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.524 -7.430 -4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.881 -10.854 -3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.483 -11.010 -4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.560 -7.641 -5.830 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.435 -9.174 -5.754 1.00 0.00 H new ATOM 791 N HIS A 56 -10.387 -7.957 -4.961 1.00 0.00 N ATOM 792 CA HIS A 56 -10.199 -8.442 -6.318 1.00 0.00 C ATOM 793 C HIS A 56 -10.009 -9.960 -6.298 1.00 0.00 C ATOM 794 O HIS A 56 -9.432 -10.506 -5.359 1.00 0.00 O ATOM 795 CB HIS A 56 -9.044 -7.709 -7.002 1.00 0.00 C ATOM 796 CG HIS A 56 -9.149 -7.667 -8.507 1.00 0.00 C ATOM 797 ND1 HIS A 56 -9.463 -6.513 -9.204 1.00 0.00 N ATOM 798 CD2 HIS A 56 -8.978 -8.646 -9.441 1.00 0.00 C ATOM 799 CE1 HIS A 56 -9.478 -6.798 -10.499 1.00 0.00 C ATOM 800 NE2 HIS A 56 -9.178 -8.120 -10.644 1.00 0.00 N ATOM 0 H HIS A 56 -9.984 -7.038 -4.777 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.089 -8.229 -6.911 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.000 -6.688 -6.623 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.107 -8.192 -6.727 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.723 -9.675 -9.237 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.691 -6.104 -11.299 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -9.117 -8.622 -11.530 1.00 0.00 H new ATOM 807 N GLU A 57 -10.506 -10.601 -7.346 1.00 0.00 N ATOM 808 CA GLU A 57 -10.399 -12.045 -7.461 1.00 0.00 C ATOM 809 C GLU A 57 -9.036 -12.518 -6.951 1.00 0.00 C ATOM 810 O GLU A 57 -8.915 -13.625 -6.429 1.00 0.00 O ATOM 811 CB GLU A 57 -10.631 -12.499 -8.905 1.00 0.00 C ATOM 812 CG GLU A 57 -10.803 -14.017 -8.980 1.00 0.00 C ATOM 813 CD GLU A 57 -11.760 -14.405 -10.109 1.00 0.00 C ATOM 814 OE1 GLU A 57 -12.902 -13.922 -10.148 1.00 0.00 O ATOM 815 OE2 GLU A 57 -11.280 -15.238 -10.968 1.00 0.00 O ATOM 0 H GLU A 57 -10.984 -10.146 -8.124 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.174 -12.498 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.518 -12.008 -9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.789 -12.193 -9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.834 -14.489 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.185 -14.391 -8.030 1.00 0.00 H new ATOM 821 N GLN A 58 -8.045 -11.656 -7.119 1.00 0.00 N ATOM 822 CA GLN A 58 -6.696 -11.971 -6.682 1.00 0.00 C ATOM 823 C GLN A 58 -6.097 -10.792 -5.913 1.00 0.00 C ATOM 824 O GLN A 58 -6.203 -9.646 -6.346 1.00 0.00 O ATOM 825 CB GLN A 58 -5.811 -12.358 -7.868 1.00 0.00 C ATOM 826 CG GLN A 58 -6.200 -13.732 -8.418 1.00 0.00 C ATOM 827 CD GLN A 58 -6.665 -13.628 -9.872 1.00 0.00 C ATOM 828 OE1 GLN A 58 -6.225 -12.782 -10.633 1.00 0.00 O ATOM 829 NE2 GLN A 58 -7.576 -14.533 -10.214 1.00 0.00 N ATOM 0 H GLN A 58 -8.149 -10.738 -7.552 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.744 -12.829 -6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.902 -11.609 -8.654 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.766 -12.369 -7.558 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.348 -14.409 -8.352 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.995 -14.160 -7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.902 -15.214 -9.528 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.950 -14.547 -11.163 1.00 0.00 H new ATOM 836 N ILE A 59 -5.481 -11.114 -4.785 1.00 0.00 N ATOM 837 CA ILE A 59 -4.866 -10.095 -3.951 1.00 0.00 C ATOM 838 C ILE A 59 -3.469 -10.559 -3.533 1.00 0.00 C ATOM 839 O ILE A 59 -3.101 -11.710 -3.758 1.00 0.00 O ATOM 840 CB ILE A 59 -5.775 -9.746 -2.772 1.00 0.00 C ATOM 841 CG1 ILE A 59 -5.218 -10.311 -1.463 1.00 0.00 C ATOM 842 CG2 ILE A 59 -7.210 -10.209 -3.030 1.00 0.00 C ATOM 843 CD1 ILE A 59 -6.160 -10.017 -0.294 1.00 0.00 C ATOM 0 H ILE A 59 -5.395 -12.066 -4.429 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.741 -9.169 -4.512 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.799 -8.661 -2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.076 -11.388 -1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.238 -9.877 -1.263 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.835 -9.948 -2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.595 -9.719 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.223 -11.289 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.741 -10.429 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.280 -8.939 -0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.131 -10.473 -0.486 1.00 0.00 H new ATOM 854 N ILE A 60 -2.728 -9.637 -2.934 1.00 0.00 N ATOM 855 CA ILE A 60 -1.380 -9.937 -2.485 1.00 0.00 C ATOM 856 C ILE A 60 -1.173 -9.355 -1.085 1.00 0.00 C ATOM 857 O ILE A 60 -1.821 -8.377 -0.713 1.00 0.00 O ATOM 858 CB ILE A 60 -0.352 -9.454 -3.509 1.00 0.00 C ATOM 859 CG1 ILE A 60 -0.530 -10.176 -4.846 1.00 0.00 C ATOM 860 CG2 ILE A 60 1.071 -9.593 -2.967 1.00 0.00 C ATOM 861 CD1 ILE A 60 0.723 -10.040 -5.714 1.00 0.00 C ATOM 0 H ILE A 60 -3.037 -8.682 -2.750 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.236 -11.015 -2.409 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.524 -8.393 -3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.741 -11.231 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.389 -9.763 -5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.781 -9.242 -3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.175 -8.997 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.272 -10.639 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.570 -10.562 -6.658 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.917 -8.985 -5.910 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.576 -10.475 -5.193 1.00 0.00 H new ATOM 872 N PHE A 61 -0.268 -9.981 -0.346 1.00 0.00 N ATOM 873 CA PHE A 61 0.033 -9.536 1.004 1.00 0.00 C ATOM 874 C PHE A 61 1.531 -9.284 1.178 1.00 0.00 C ATOM 875 O PHE A 61 2.353 -9.933 0.533 1.00 0.00 O ATOM 876 CB PHE A 61 -0.396 -10.660 1.950 1.00 0.00 C ATOM 877 CG PHE A 61 -1.891 -10.663 2.277 1.00 0.00 C ATOM 878 CD1 PHE A 61 -2.536 -9.491 2.520 1.00 0.00 C ATOM 879 CD2 PHE A 61 -2.574 -11.838 2.322 1.00 0.00 C ATOM 880 CE1 PHE A 61 -3.923 -9.495 2.823 1.00 0.00 C ATOM 881 CE2 PHE A 61 -3.961 -11.841 2.625 1.00 0.00 C ATOM 882 CZ PHE A 61 -4.607 -10.669 2.869 1.00 0.00 C ATOM 0 H PHE A 61 0.266 -10.792 -0.657 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.491 -8.604 1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.131 -11.618 1.503 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.168 -10.574 2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.994 -8.558 2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.062 -12.769 2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.435 -8.564 3.017 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.503 -12.774 2.662 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.662 -10.671 3.099 1.00 0.00 H new ATOM 891 N HIS A 62 1.842 -8.338 2.052 1.00 0.00 N ATOM 892 CA HIS A 62 3.227 -7.991 2.318 1.00 0.00 C ATOM 893 C HIS A 62 3.330 -7.290 3.674 1.00 0.00 C ATOM 894 O HIS A 62 2.382 -7.307 4.458 1.00 0.00 O ATOM 895 CB HIS A 62 3.808 -7.156 1.174 1.00 0.00 C ATOM 896 CG HIS A 62 3.918 -5.683 1.485 1.00 0.00 C ATOM 897 ND1 HIS A 62 5.117 -5.071 1.806 1.00 0.00 N ATOM 898 CD2 HIS A 62 2.967 -4.705 1.517 1.00 0.00 C ATOM 899 CE1 HIS A 62 4.886 -3.785 2.022 1.00 0.00 C ATOM 900 NE2 HIS A 62 3.553 -3.559 1.842 1.00 0.00 N ATOM 0 H HIS A 62 1.158 -7.801 2.585 1.00 0.00 H new ATOM 0 HA HIS A 62 3.828 -8.899 2.370 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.797 -7.539 0.924 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.183 -7.285 0.290 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.915 -4.840 1.312 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.624 -3.045 2.293 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.084 -2.659 1.941 1.00 0.00 H new ATOM 907 N CYS A 63 4.488 -6.690 3.909 1.00 0.00 N ATOM 908 CA CYS A 63 4.726 -5.986 5.157 1.00 0.00 C ATOM 909 C CYS A 63 5.986 -5.134 4.995 1.00 0.00 C ATOM 910 O CYS A 63 6.467 -4.936 3.880 1.00 0.00 O ATOM 911 CB CYS A 63 4.838 -6.950 6.340 1.00 0.00 C ATOM 912 SG CYS A 63 3.340 -6.837 7.385 1.00 0.00 S ATOM 0 H CYS A 63 5.271 -6.677 3.256 1.00 0.00 H new ATOM 0 HA CYS A 63 3.877 -5.340 5.379 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.962 -7.970 5.977 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.722 -6.712 6.931 1.00 0.00 H new ATOM 0 HG CYS A 63 3.445 -7.661 8.385 1.00 0.00 H new ATOM 986 N THR A 69 5.726 -12.101 5.552 1.00 0.00 N ATOM 987 CA THR A 69 4.277 -11.990 5.521 1.00 0.00 C ATOM 988 C THR A 69 3.631 -13.335 5.855 1.00 0.00 C ATOM 989 O THR A 69 2.412 -13.429 5.980 1.00 0.00 O ATOM 990 CB THR A 69 3.874 -11.446 4.149 1.00 0.00 C ATOM 991 OG1 THR A 69 4.839 -10.432 3.880 1.00 0.00 O ATOM 992 CG2 THR A 69 2.542 -10.693 4.185 1.00 0.00 C ATOM 0 HA THR A 69 3.918 -11.296 6.281 1.00 0.00 H new ATOM 0 HB THR A 69 3.806 -12.270 3.438 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.727 -10.745 4.152 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.303 -10.328 3.186 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.753 -11.365 4.524 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.619 -9.849 4.871 1.00 0.00 H new ATOM 1000 N SER A 70 4.479 -14.345 5.990 1.00 0.00 N ATOM 1001 CA SER A 70 4.007 -15.682 6.307 1.00 0.00 C ATOM 1002 C SER A 70 3.807 -15.822 7.817 1.00 0.00 C ATOM 1003 O SER A 70 3.222 -16.800 8.281 1.00 0.00 O ATOM 1004 CB SER A 70 4.981 -16.745 5.799 1.00 0.00 C ATOM 1005 OG SER A 70 6.316 -16.495 6.230 1.00 0.00 O ATOM 0 H SER A 70 5.490 -14.264 5.885 1.00 0.00 H new ATOM 0 HA SER A 70 3.052 -15.835 5.805 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.664 -17.726 6.152 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.951 -16.773 4.710 1.00 0.00 H new ATOM 0 HG SER A 70 6.907 -17.197 5.886 1.00 0.00 H new ATOM 1010 N ASN A 71 4.304 -14.830 8.541 1.00 0.00 N ATOM 1011 CA ASN A 71 4.187 -14.831 9.990 1.00 0.00 C ATOM 1012 C ASN A 71 2.711 -14.931 10.378 1.00 0.00 C ATOM 1013 O ASN A 71 2.386 -15.279 11.513 1.00 0.00 O ATOM 1014 CB ASN A 71 4.746 -13.538 10.588 1.00 0.00 C ATOM 1015 CG ASN A 71 6.217 -13.705 10.976 1.00 0.00 C ATOM 1016 OD1 ASN A 71 6.954 -14.313 10.051 1.00 0.00 O flip ATOM 1017 ND2 ASN A 71 6.653 -13.309 12.044 1.00 0.00 N flip ATOM 0 H ASN A 71 4.788 -14.021 8.152 1.00 0.00 H new ATOM 0 HA ASN A 71 4.752 -15.680 10.374 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.646 -12.727 9.867 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.164 -13.258 11.466 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.032 -12.850 12.710 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.639 -13.437 12.271 1.00 0.00 H new ATOM 1023 N ASN A 72 1.856 -14.620 9.416 1.00 0.00 N ATOM 1024 CA ASN A 72 0.421 -14.671 9.644 1.00 0.00 C ATOM 1025 C ASN A 72 -0.271 -15.210 8.389 1.00 0.00 C ATOM 1026 O ASN A 72 -1.430 -14.891 8.130 1.00 0.00 O ATOM 1027 CB ASN A 72 -0.141 -13.278 9.931 1.00 0.00 C ATOM 1028 CG ASN A 72 0.659 -12.581 11.033 1.00 0.00 C ATOM 1029 OD1 ASN A 72 1.851 -12.142 10.642 1.00 0.00 O flip ATOM 1030 ND2 ASN A 72 0.222 -12.449 12.165 1.00 0.00 N flip ATOM 0 H ASN A 72 2.129 -14.332 8.476 1.00 0.00 H new ATOM 0 HA ASN A 72 0.239 -15.317 10.502 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.115 -12.677 9.022 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.186 -13.358 10.230 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.703 -12.810 12.400 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.781 -11.978 12.876 1.00 0.00 H new ATOM 1036 N ALA A 73 0.470 -16.019 7.645 1.00 0.00 N ATOM 1037 CA ALA A 73 -0.058 -16.605 6.424 1.00 0.00 C ATOM 1038 C ALA A 73 -1.208 -17.551 6.774 1.00 0.00 C ATOM 1039 O ALA A 73 -1.982 -17.943 5.903 1.00 0.00 O ATOM 1040 CB ALA A 73 1.069 -17.312 5.669 1.00 0.00 C ATOM 0 H ALA A 73 1.431 -16.282 7.864 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.456 -15.831 5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.674 -17.752 4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.847 -16.591 5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.490 -18.098 6.296 1.00 0.00 H new ATOM 1046 N ASP A 74 -1.285 -17.891 8.053 1.00 0.00 N ATOM 1047 CA ASP A 74 -2.328 -18.782 8.529 1.00 0.00 C ATOM 1048 C ASP A 74 -3.679 -18.068 8.451 1.00 0.00 C ATOM 1049 O ASP A 74 -4.610 -18.563 7.817 1.00 0.00 O ATOM 1050 CB ASP A 74 -2.089 -19.182 9.986 1.00 0.00 C ATOM 1051 CG ASP A 74 -0.847 -20.045 10.225 1.00 0.00 C ATOM 1052 OD1 ASP A 74 0.132 -19.599 10.840 1.00 0.00 O ATOM 1053 OD2 ASP A 74 -0.913 -21.239 9.742 1.00 0.00 O ATOM 0 H ASP A 74 -0.641 -17.565 8.774 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.319 -19.675 7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.005 -18.276 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.964 -19.723 10.347 1.00 0.00 H new ATOM 1058 N LYS A 75 -3.743 -16.918 9.105 1.00 0.00 N ATOM 1059 CA LYS A 75 -4.964 -16.131 9.118 1.00 0.00 C ATOM 1060 C LYS A 75 -5.142 -15.451 7.758 1.00 0.00 C ATOM 1061 O LYS A 75 -6.180 -15.602 7.116 1.00 0.00 O ATOM 1062 CB LYS A 75 -4.961 -15.156 10.296 1.00 0.00 C ATOM 1063 CG LYS A 75 -5.955 -15.596 11.373 1.00 0.00 C ATOM 1064 CD LYS A 75 -7.347 -15.817 10.778 1.00 0.00 C ATOM 1065 CE LYS A 75 -8.378 -14.898 11.437 1.00 0.00 C ATOM 1066 NZ LYS A 75 -9.712 -15.095 10.828 1.00 0.00 N ATOM 0 H LYS A 75 -2.969 -16.512 9.630 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.830 -16.775 9.269 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.959 -15.098 10.722 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.217 -14.156 9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.606 -16.516 11.841 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.006 -14.840 12.156 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.321 -15.630 9.705 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.643 -16.857 10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.426 -15.103 12.506 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.071 -13.858 11.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.400 -14.464 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.666 -14.877 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.010 -16.083 10.956 1.00 0.00 H new ATOM 1075 N LEU A 76 -4.112 -14.718 7.360 1.00 0.00 N ATOM 1076 CA LEU A 76 -4.142 -14.014 6.089 1.00 0.00 C ATOM 1077 C LEU A 76 -4.693 -14.947 5.009 1.00 0.00 C ATOM 1078 O LEU A 76 -5.296 -14.491 4.038 1.00 0.00 O ATOM 1079 CB LEU A 76 -2.762 -13.441 5.761 1.00 0.00 C ATOM 1080 CG LEU A 76 -2.327 -12.228 6.586 1.00 0.00 C ATOM 1081 CD1 LEU A 76 -0.857 -11.890 6.329 1.00 0.00 C ATOM 1082 CD2 LEU A 76 -3.244 -11.032 6.326 1.00 0.00 C ATOM 0 H LEU A 76 -3.252 -14.597 7.895 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.812 -13.156 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.022 -14.230 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.747 -13.163 4.707 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.420 -12.481 7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.573 -11.024 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.234 -12.741 6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.715 -11.663 5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.913 -10.183 6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.206 -10.768 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.267 -11.292 6.599 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.466 -16.236 5.212 1.00 0.00 N ATOM 1094 CA ALA A 77 -4.932 -17.236 4.266 1.00 0.00 C ATOM 1095 C ALA A 77 -6.441 -17.427 4.434 1.00 0.00 C ATOM 1096 O ALA A 77 -7.179 -17.452 3.451 1.00 0.00 O ATOM 1097 CB ALA A 77 -4.154 -18.537 4.475 1.00 0.00 C ATOM 0 H ALA A 77 -3.966 -16.611 6.018 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.753 -16.909 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.503 -19.288 3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.091 -18.355 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.313 -18.897 5.492 1.00 0.00 H new ATOM 1103 N ALA A 78 -6.854 -17.554 5.686 1.00 0.00 N ATOM 1104 CA ALA A 78 -8.262 -17.740 5.995 1.00 0.00 C ATOM 1105 C ALA A 78 -8.935 -16.373 6.131 1.00 0.00 C ATOM 1106 O ALA A 78 -10.030 -16.268 6.682 1.00 0.00 O ATOM 1107 CB ALA A 78 -8.399 -18.587 7.262 1.00 0.00 C ATOM 0 H ALA A 78 -6.238 -17.532 6.499 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.764 -18.275 5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.455 -18.727 7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.931 -19.558 7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.909 -18.080 8.093 1.00 0.00 H new ATOM 1113 N ILE A 79 -8.252 -15.359 5.620 1.00 0.00 N ATOM 1114 CA ILE A 79 -8.770 -14.003 5.677 1.00 0.00 C ATOM 1115 C ILE A 79 -9.096 -13.525 4.261 1.00 0.00 C ATOM 1116 O ILE A 79 -9.971 -12.683 4.072 1.00 0.00 O ATOM 1117 CB ILE A 79 -7.799 -13.089 6.427 1.00 0.00 C ATOM 1118 CG1 ILE A 79 -8.035 -13.160 7.937 1.00 0.00 C ATOM 1119 CG2 ILE A 79 -7.878 -11.655 5.900 1.00 0.00 C ATOM 1120 CD1 ILE A 79 -6.918 -12.443 8.700 1.00 0.00 C ATOM 0 H ILE A 79 -7.344 -15.450 5.164 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.700 -13.975 6.245 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.785 -13.443 6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.996 -12.707 8.180 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.085 -14.202 8.252 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.178 -11.026 6.450 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.622 -11.642 4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -8.890 -11.274 6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.109 -12.508 9.771 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.962 -12.914 8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.887 -11.396 8.400 1.00 0.00 H new ATOM 1131 N ALA A 80 -8.372 -14.084 3.301 1.00 0.00 N ATOM 1132 CA ALA A 80 -8.573 -13.726 1.908 1.00 0.00 C ATOM 1133 C ALA A 80 -9.174 -14.918 1.160 1.00 0.00 C ATOM 1134 O ALA A 80 -10.078 -14.751 0.343 1.00 0.00 O ATOM 1135 CB ALA A 80 -7.244 -13.268 1.302 1.00 0.00 C ATOM 0 H ALA A 80 -7.646 -14.782 3.462 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.274 -12.896 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.394 -12.999 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.874 -12.401 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.516 -14.077 1.368 1.00 0.00 H new ATOM 1141 N ALA A 81 -8.648 -16.094 1.467 1.00 0.00 N ATOM 1142 CA ALA A 81 -9.121 -17.314 0.835 1.00 0.00 C ATOM 1143 C ALA A 81 -10.636 -17.229 0.642 1.00 0.00 C ATOM 1144 O ALA A 81 -11.320 -16.519 1.379 1.00 0.00 O ATOM 1145 CB ALA A 81 -8.707 -18.520 1.679 1.00 0.00 C ATOM 0 H ALA A 81 -7.898 -16.228 2.145 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.670 -17.436 -0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.062 -19.435 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.620 -18.551 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.143 -18.434 2.674 1.00 0.00 H new ATOM 1151 N PRO A 82 -11.130 -17.980 -0.377 1.00 0.00 N ATOM 1152 CA PRO A 82 -10.250 -18.792 -1.202 1.00 0.00 C ATOM 1153 C PRO A 82 -9.459 -17.922 -2.180 1.00 0.00 C ATOM 1154 O PRO A 82 -8.614 -18.425 -2.920 1.00 0.00 O ATOM 1155 CB PRO A 82 -11.169 -19.784 -1.898 1.00 0.00 C ATOM 1156 CG PRO A 82 -12.568 -19.196 -1.800 1.00 0.00 C ATOM 1157 CD PRO A 82 -12.532 -18.078 -0.772 1.00 0.00 C ATOM 0 HA PRO A 82 -9.490 -19.314 -0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -10.876 -19.924 -2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.122 -20.762 -1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.890 -18.814 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.285 -19.963 -1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.890 -17.140 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -13.169 -18.306 0.083 1.00 0.00 H new ATOM 1162 N ALA A 83 -9.759 -16.632 -2.153 1.00 0.00 N ATOM 1163 CA ALA A 83 -9.086 -15.689 -3.028 1.00 0.00 C ATOM 1164 C ALA A 83 -7.602 -16.050 -3.117 1.00 0.00 C ATOM 1165 O ALA A 83 -7.007 -16.491 -2.134 1.00 0.00 O ATOM 1166 CB ALA A 83 -9.309 -14.266 -2.512 1.00 0.00 C ATOM 0 H ALA A 83 -10.460 -16.218 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.498 -15.740 -4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.804 -13.558 -3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.377 -14.048 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.905 -14.177 -1.503 1.00 0.00 H new ATOM 1172 N GLU A 84 -7.047 -15.850 -4.303 1.00 0.00 N ATOM 1173 CA GLU A 84 -5.643 -16.150 -4.532 1.00 0.00 C ATOM 1174 C GLU A 84 -4.760 -15.070 -3.902 1.00 0.00 C ATOM 1175 O GLU A 84 -4.806 -13.911 -4.308 1.00 0.00 O ATOM 1176 CB GLU A 84 -5.350 -16.294 -6.027 1.00 0.00 C ATOM 1177 CG GLU A 84 -5.716 -17.694 -6.524 1.00 0.00 C ATOM 1178 CD GLU A 84 -4.586 -18.687 -6.243 1.00 0.00 C ATOM 1179 OE1 GLU A 84 -3.536 -18.633 -6.900 1.00 0.00 O ATOM 1180 OE2 GLU A 84 -4.829 -19.539 -5.305 1.00 0.00 O ATOM 0 H GLU A 84 -7.543 -15.484 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.413 -17.103 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.914 -15.547 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.294 -16.102 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.630 -18.030 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.920 -17.662 -7.594 1.00 0.00 H new ATOM 1186 N ILE A 85 -3.977 -15.492 -2.919 1.00 0.00 N ATOM 1187 CA ILE A 85 -3.085 -14.575 -2.228 1.00 0.00 C ATOM 1188 C ILE A 85 -1.637 -14.906 -2.596 1.00 0.00 C ATOM 1189 O ILE A 85 -1.355 -15.987 -3.113 1.00 0.00 O ATOM 1190 CB ILE A 85 -3.357 -14.596 -0.723 1.00 0.00 C ATOM 1191 CG1 ILE A 85 -4.460 -13.602 -0.352 1.00 0.00 C ATOM 1192 CG2 ILE A 85 -2.072 -14.348 0.069 1.00 0.00 C ATOM 1193 CD1 ILE A 85 -5.616 -13.668 -1.351 1.00 0.00 C ATOM 0 H ILE A 85 -3.942 -16.455 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.270 -13.549 -2.548 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.715 -15.590 -0.454 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.828 -13.819 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.051 -12.592 -0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.293 -14.368 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.344 -15.125 -0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.662 -13.374 -0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.386 -12.952 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.249 -13.426 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.038 -14.673 -1.353 1.00 0.00 H new ATOM 1204 N PHE A 86 -0.758 -13.956 -2.317 1.00 0.00 N ATOM 1205 CA PHE A 86 0.654 -14.133 -2.613 1.00 0.00 C ATOM 1206 C PHE A 86 1.523 -13.323 -1.647 1.00 0.00 C ATOM 1207 O PHE A 86 1.003 -12.596 -0.801 1.00 0.00 O ATOM 1208 CB PHE A 86 0.881 -13.620 -4.036 1.00 0.00 C ATOM 1209 CG PHE A 86 0.108 -14.394 -5.106 1.00 0.00 C ATOM 1210 CD1 PHE A 86 0.617 -15.551 -5.609 1.00 0.00 C ATOM 1211 CD2 PHE A 86 -1.087 -13.925 -5.554 1.00 0.00 C ATOM 1212 CE1 PHE A 86 -0.101 -16.269 -6.602 1.00 0.00 C ATOM 1213 CE2 PHE A 86 -1.804 -14.643 -6.547 1.00 0.00 C ATOM 1214 CZ PHE A 86 -1.296 -15.800 -7.050 1.00 0.00 C ATOM 0 H PHE A 86 -0.995 -13.061 -1.889 1.00 0.00 H new ATOM 0 HA PHE A 86 0.926 -15.184 -2.511 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.594 -12.570 -4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.946 -13.670 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.566 -15.923 -5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.491 -13.006 -5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.302 -17.188 -7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.753 -14.270 -6.903 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.842 -16.346 -7.805 1.00 0.00 H new ATOM 1223 N LEU A 87 2.829 -13.475 -1.806 1.00 0.00 N ATOM 1224 CA LEU A 87 3.773 -12.767 -0.959 1.00 0.00 C ATOM 1225 C LEU A 87 4.818 -12.074 -1.836 1.00 0.00 C ATOM 1226 O LEU A 87 5.632 -12.737 -2.479 1.00 0.00 O ATOM 1227 CB LEU A 87 4.374 -13.714 0.082 1.00 0.00 C ATOM 1228 CG LEU A 87 3.385 -14.348 1.061 1.00 0.00 C ATOM 1229 CD1 LEU A 87 4.115 -15.193 2.107 1.00 0.00 C ATOM 1230 CD2 LEU A 87 2.492 -13.286 1.705 1.00 0.00 C ATOM 0 H LEU A 87 3.256 -14.078 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 87 3.265 -11.988 -0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.898 -14.513 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.121 -13.165 0.655 1.00 0.00 H new ATOM 0 HG LEU A 87 2.734 -15.019 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.389 -15.633 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.672 -15.987 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.805 -14.562 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.798 -13.764 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.110 -12.571 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.930 -12.765 0.930 1.00 0.00 H new ATOM 1241 N LEU A 88 4.762 -10.750 -1.835 1.00 0.00 N ATOM 1242 CA LEU A 88 5.693 -9.961 -2.623 1.00 0.00 C ATOM 1243 C LEU A 88 7.120 -10.236 -2.144 1.00 0.00 C ATOM 1244 O LEU A 88 7.634 -9.531 -1.276 1.00 0.00 O ATOM 1245 CB LEU A 88 5.306 -8.481 -2.585 1.00 0.00 C ATOM 1246 CG LEU A 88 5.966 -7.589 -3.638 1.00 0.00 C ATOM 1247 CD1 LEU A 88 5.746 -8.147 -5.046 1.00 0.00 C ATOM 1248 CD2 LEU A 88 5.482 -6.143 -3.513 1.00 0.00 C ATOM 0 H LEU A 88 4.086 -10.204 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 88 5.647 -10.252 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.225 -8.405 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.551 -8.087 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 88 7.041 -7.586 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.225 -7.494 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.178 -9.145 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.677 -8.200 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.967 -5.530 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.402 -6.108 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.733 -5.760 -2.524 1.00 0.00 H new ATOM 1259 N GLU A 89 7.719 -11.261 -2.731 1.00 0.00 N ATOM 1260 CA GLU A 89 9.078 -11.639 -2.375 1.00 0.00 C ATOM 1261 C GLU A 89 9.309 -11.436 -0.876 1.00 0.00 C ATOM 1262 O GLU A 89 8.934 -12.283 -0.067 1.00 0.00 O ATOM 1263 CB GLU A 89 10.098 -10.852 -3.199 1.00 0.00 C ATOM 1264 CG GLU A 89 11.526 -11.172 -2.753 1.00 0.00 C ATOM 1265 CD GLU A 89 12.134 -12.280 -3.616 1.00 0.00 C ATOM 1266 OE1 GLU A 89 13.204 -12.087 -4.211 1.00 0.00 O ATOM 1267 OE2 GLU A 89 11.454 -13.376 -3.655 1.00 0.00 O ATOM 0 H GLU A 89 7.289 -11.842 -3.451 1.00 0.00 H new ATOM 0 HA GLU A 89 9.213 -12.696 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.981 -11.092 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.911 -9.784 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.141 -10.275 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.524 -11.480 -1.707 1.00 0.00 H new ATOM 1273 N ASP A 90 9.924 -10.309 -0.552 1.00 0.00 N ATOM 1274 CA ASP A 90 10.211 -9.985 0.835 1.00 0.00 C ATOM 1275 C ASP A 90 9.615 -8.615 1.168 1.00 0.00 C ATOM 1276 O ASP A 90 10.336 -7.621 1.233 1.00 0.00 O ATOM 1277 CB ASP A 90 11.719 -9.919 1.086 1.00 0.00 C ATOM 1278 CG ASP A 90 12.336 -11.195 1.660 1.00 0.00 C ATOM 1279 OD1 ASP A 90 11.877 -12.311 1.372 1.00 0.00 O ATOM 1280 OD2 ASP A 90 13.342 -11.010 2.444 1.00 0.00 O ATOM 0 H ASP A 90 10.232 -9.608 -1.226 1.00 0.00 H new ATOM 0 HA ASP A 90 9.776 -10.765 1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 90 12.218 -9.683 0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.922 -9.095 1.771 1.00 0.00 H new ATOM 1285 N GLY A 91 8.306 -8.607 1.367 1.00 0.00 N ATOM 1286 CA GLY A 91 7.606 -7.376 1.691 1.00 0.00 C ATOM 1287 C GLY A 91 7.766 -6.344 0.573 1.00 0.00 C ATOM 1288 O GLY A 91 7.127 -6.450 -0.472 1.00 0.00 O ATOM 0 H GLY A 91 7.711 -9.434 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.548 -7.586 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.993 -6.969 2.625 1.00 0.00 H new ATOM 1292 N ILE A 92 8.624 -5.368 0.832 1.00 0.00 N ATOM 1293 CA ILE A 92 8.878 -4.317 -0.139 1.00 0.00 C ATOM 1294 C ILE A 92 10.205 -4.594 -0.849 1.00 0.00 C ATOM 1295 O ILE A 92 10.414 -4.150 -1.977 1.00 0.00 O ATOM 1296 CB ILE A 92 8.813 -2.942 0.529 1.00 0.00 C ATOM 1297 CG1 ILE A 92 8.817 -1.824 -0.515 1.00 0.00 C ATOM 1298 CG2 ILE A 92 9.938 -2.776 1.552 1.00 0.00 C ATOM 1299 CD1 ILE A 92 7.552 -0.971 -0.410 1.00 0.00 C ATOM 0 H ILE A 92 9.152 -5.283 1.700 1.00 0.00 H new ATOM 0 HA ILE A 92 8.102 -4.310 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 92 7.871 -2.870 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.696 -1.195 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 92 8.888 -2.255 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.869 -1.790 2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.846 -3.543 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.902 -2.876 1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.580 -0.184 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.676 -1.598 -0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 92 7.497 -0.522 0.582 1.00 0.00 H new ATOM 1310 N ASP A 93 11.067 -5.325 -0.159 1.00 0.00 N ATOM 1311 CA ASP A 93 12.368 -5.665 -0.709 1.00 0.00 C ATOM 1312 C ASP A 93 12.208 -6.059 -2.179 1.00 0.00 C ATOM 1313 O ASP A 93 13.132 -5.894 -2.973 1.00 0.00 O ATOM 1314 CB ASP A 93 12.986 -6.851 0.033 1.00 0.00 C ATOM 1315 CG ASP A 93 14.263 -7.414 -0.595 1.00 0.00 C ATOM 1316 OD1 ASP A 93 14.233 -8.439 -1.293 1.00 0.00 O ATOM 1317 OD2 ASP A 93 15.336 -6.745 -0.341 1.00 0.00 O ATOM 0 H ASP A 93 10.890 -5.692 0.776 1.00 0.00 H new ATOM 0 HA ASP A 93 13.017 -4.795 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.207 -6.545 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 93 12.246 -7.649 0.092 1.00 0.00 H new ATOM 1322 N GLY A 94 11.029 -6.574 -2.495 1.00 0.00 N ATOM 1323 CA GLY A 94 10.735 -6.992 -3.856 1.00 0.00 C ATOM 1324 C GLY A 94 10.516 -5.783 -4.766 1.00 0.00 C ATOM 1325 O GLY A 94 11.249 -5.589 -5.735 1.00 0.00 O ATOM 0 H GLY A 94 10.266 -6.711 -1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.557 -7.596 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.846 -7.622 -3.862 1.00 0.00 H new ATOM 1329 N TRP A 95 9.503 -5.000 -4.424 1.00 0.00 N ATOM 1330 CA TRP A 95 9.178 -3.815 -5.199 1.00 0.00 C ATOM 1331 C TRP A 95 10.476 -3.046 -5.453 1.00 0.00 C ATOM 1332 O TRP A 95 10.704 -2.552 -6.556 1.00 0.00 O ATOM 1333 CB TRP A 95 8.112 -2.974 -4.493 1.00 0.00 C ATOM 1334 CG TRP A 95 7.637 -1.765 -5.302 1.00 0.00 C ATOM 1335 CD1 TRP A 95 7.629 -0.477 -4.934 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.095 -1.785 -6.640 1.00 0.00 C ATOM 1337 NE1 TRP A 95 7.125 0.332 -5.932 1.00 0.00 N ATOM 1338 CE2 TRP A 95 6.791 -0.489 -7.002 1.00 0.00 C ATOM 1339 CE3 TRP A 95 6.871 -2.864 -7.514 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 6.243 -0.151 -8.246 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.324 -2.508 -8.753 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.012 -1.208 -9.133 1.00 0.00 C ATOM 0 H TRP A 95 8.897 -5.163 -3.620 1.00 0.00 H new ATOM 0 HA TRP A 95 8.743 -4.089 -6.160 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.254 -3.608 -4.268 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.510 -2.627 -3.540 1.00 0.00 H new ATOM 0 HD1 TRP A 95 7.974 -0.117 -3.976 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.018 1.346 -5.892 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.102 -3.886 -7.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.011 0.871 -8.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.131 -3.299 -9.463 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.593 -1.015 -10.109 1.00 0.00 H new ATOM 1352 N LYS A 96 11.293 -2.966 -4.412 1.00 0.00 N ATOM 1353 CA LYS A 96 12.562 -2.264 -4.509 1.00 0.00 C ATOM 1354 C LYS A 96 13.535 -3.093 -5.351 1.00 0.00 C ATOM 1355 O LYS A 96 14.372 -2.540 -6.062 1.00 0.00 O ATOM 1356 CB LYS A 96 13.092 -1.922 -3.116 1.00 0.00 C ATOM 1357 CG LYS A 96 14.506 -1.343 -3.194 1.00 0.00 C ATOM 1358 CD LYS A 96 14.476 0.121 -3.640 1.00 0.00 C ATOM 1359 CE LYS A 96 15.351 0.335 -4.877 1.00 0.00 C ATOM 1360 NZ LYS A 96 16.738 0.664 -4.479 1.00 0.00 N ATOM 0 H LYS A 96 11.101 -3.376 -3.498 1.00 0.00 H new ATOM 0 HA LYS A 96 12.432 -1.309 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.427 -1.204 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.096 -2.817 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.989 -1.420 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 96 15.104 -1.928 -3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.450 0.417 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.825 0.759 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.347 -0.564 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.940 1.140 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.319 0.806 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.739 1.534 -3.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.133 -0.117 -3.917 1.00 0.00 H new ATOM 1369 N LYS A 97 13.391 -4.405 -5.243 1.00 0.00 N ATOM 1370 CA LYS A 97 14.247 -5.316 -5.985 1.00 0.00 C ATOM 1371 C LYS A 97 14.399 -4.809 -7.421 1.00 0.00 C ATOM 1372 O LYS A 97 15.486 -4.399 -7.825 1.00 0.00 O ATOM 1373 CB LYS A 97 13.715 -6.747 -5.892 1.00 0.00 C ATOM 1374 CG LYS A 97 14.806 -7.761 -6.241 1.00 0.00 C ATOM 1375 CD LYS A 97 15.344 -8.444 -4.982 1.00 0.00 C ATOM 1376 CE LYS A 97 15.611 -9.929 -5.236 1.00 0.00 C ATOM 1377 NZ LYS A 97 15.732 -10.661 -3.955 1.00 0.00 N ATOM 0 H LYS A 97 12.694 -4.860 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 97 15.245 -5.343 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.346 -6.937 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.870 -6.869 -6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.405 -8.511 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.621 -7.259 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.264 -7.955 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.626 -8.334 -4.169 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.801 -10.354 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.526 -10.046 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.589 -11.250 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.794 -9.981 -3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.898 -11.267 -3.821 1.00 0.00 H new ATOM 1386 N ALA A 98 13.295 -4.853 -8.150 1.00 0.00 N ATOM 1387 CA ALA A 98 13.292 -4.404 -9.532 1.00 0.00 C ATOM 1388 C ALA A 98 13.738 -2.942 -9.588 1.00 0.00 C ATOM 1389 O ALA A 98 14.210 -2.471 -10.623 1.00 0.00 O ATOM 1390 CB ALA A 98 11.901 -4.613 -10.134 1.00 0.00 C ATOM 0 H ALA A 98 12.395 -5.193 -7.810 1.00 0.00 H new ATOM 0 HA ALA A 98 13.995 -4.987 -10.127 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.899 -4.276 -11.171 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.643 -5.671 -10.096 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.169 -4.041 -9.565 1.00 0.00 H new ATOM 1396 N GLY A 99 13.572 -2.260 -8.464 1.00 0.00 N ATOM 1397 CA GLY A 99 13.952 -0.861 -8.372 1.00 0.00 C ATOM 1398 C GLY A 99 12.750 0.051 -8.627 1.00 0.00 C ATOM 1399 O GLY A 99 12.913 1.201 -9.029 1.00 0.00 O ATOM 0 H GLY A 99 13.179 -2.651 -7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.365 -0.657 -7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 99 14.737 -0.645 -9.097 1.00 0.00 H new ATOM 1403 N LEU A 100 11.569 -0.498 -8.382 1.00 0.00 N ATOM 1404 CA LEU A 100 10.340 0.251 -8.580 1.00 0.00 C ATOM 1405 C LEU A 100 10.185 1.274 -7.453 1.00 0.00 C ATOM 1406 O LEU A 100 10.366 0.945 -6.282 1.00 0.00 O ATOM 1407 CB LEU A 100 9.149 -0.699 -8.717 1.00 0.00 C ATOM 1408 CG LEU A 100 9.346 -1.891 -9.657 1.00 0.00 C ATOM 1409 CD1 LEU A 100 10.380 -1.571 -10.738 1.00 0.00 C ATOM 1410 CD2 LEU A 100 9.708 -3.153 -8.872 1.00 0.00 C ATOM 0 H LEU A 100 11.437 -1.453 -8.048 1.00 0.00 H new ATOM 0 HA LEU A 100 10.381 0.810 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.898 -1.080 -7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.290 -0.125 -9.065 1.00 0.00 H new ATOM 0 HG LEU A 100 8.401 -2.087 -10.164 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.501 -2.434 -11.392 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.041 -0.716 -11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.335 -1.334 -10.269 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.843 -3.985 -9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.633 -2.986 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.906 -3.389 -8.172 1.00 0.00 H new ATOM 1421 N PRO A 101 9.841 2.527 -7.856 1.00 0.00 N ATOM 1422 CA PRO A 101 9.659 3.600 -6.893 1.00 0.00 C ATOM 1423 C PRO A 101 8.336 3.442 -6.141 1.00 0.00 C ATOM 1424 O PRO A 101 7.282 3.285 -6.756 1.00 0.00 O ATOM 1425 CB PRO A 101 9.729 4.878 -7.713 1.00 0.00 C ATOM 1426 CG PRO A 101 9.480 4.464 -9.154 1.00 0.00 C ATOM 1427 CD PRO A 101 9.618 2.952 -9.235 1.00 0.00 C ATOM 0 HA PRO A 101 10.420 3.601 -6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.982 5.598 -7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 101 10.702 5.357 -7.607 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.485 4.774 -9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 101 10.194 4.949 -9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.720 2.494 -9.651 1.00 0.00 H new ATOM 0 HD3 PRO A 101 10.450 2.664 -9.878 1.00 0.00 H new ATOM 1432 N VAL A 102 8.435 3.490 -4.820 1.00 0.00 N ATOM 1433 CA VAL A 102 7.260 3.355 -3.977 1.00 0.00 C ATOM 1434 C VAL A 102 6.530 4.698 -3.906 1.00 0.00 C ATOM 1435 O VAL A 102 7.099 5.735 -4.244 1.00 0.00 O ATOM 1436 CB VAL A 102 7.661 2.819 -2.602 1.00 0.00 C ATOM 1437 CG1 VAL A 102 6.553 1.949 -2.007 1.00 0.00 C ATOM 1438 CG2 VAL A 102 8.982 2.050 -2.676 1.00 0.00 C ATOM 0 H VAL A 102 9.311 3.620 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 102 6.566 2.631 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 102 7.807 3.673 -1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.865 1.581 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.644 2.541 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.359 1.104 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.244 1.680 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 102 8.875 1.209 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.769 2.713 -3.035 1.00 0.00 H new ATOM 1448 N ALA A 103 5.283 4.635 -3.464 1.00 0.00 N ATOM 1449 CA ALA A 103 4.470 5.834 -3.344 1.00 0.00 C ATOM 1450 C ALA A 103 4.866 6.588 -2.074 1.00 0.00 C ATOM 1451 O ALA A 103 4.329 6.325 -0.999 1.00 0.00 O ATOM 1452 CB ALA A 103 2.990 5.450 -3.358 1.00 0.00 C ATOM 0 H ALA A 103 4.815 3.773 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 103 4.641 6.501 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.380 6.349 -3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.754 4.944 -4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.779 4.783 -2.522 1.00 0.00 H new ATOM 1458 N VAL A 104 5.802 7.511 -2.239 1.00 0.00 N ATOM 1459 CA VAL A 104 6.276 8.305 -1.119 1.00 0.00 C ATOM 1460 C VAL A 104 5.560 9.658 -1.119 1.00 0.00 C ATOM 1461 O VAL A 104 4.763 9.942 -2.012 1.00 0.00 O ATOM 1462 CB VAL A 104 7.799 8.436 -1.176 1.00 0.00 C ATOM 1463 CG1 VAL A 104 8.477 7.132 -0.749 1.00 0.00 C ATOM 1464 CG2 VAL A 104 8.261 8.862 -2.571 1.00 0.00 C ATOM 0 H VAL A 104 6.245 7.727 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 104 6.041 7.812 -0.176 1.00 0.00 H new ATOM 0 HB VAL A 104 8.095 9.214 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.559 7.252 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 104 8.185 6.888 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.170 6.327 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.348 8.948 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.947 8.117 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.818 9.826 -2.823 1.00 0.00 H new