USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 ALY H2 : A 39 ALY N : A 38 VAL C :(H bumps) USER MOD NoAdj-H: A 39 ALY H : A 39 ALY N : A 38 VAL C :(H bumps) USER MOD Set 1.1: A 51 TYR OH : rot 60:sc= -0.026 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.56 K(o=-0.59,f=0.45) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -164:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 50 SER OG : rot 75:sc= 1.88 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0708 (180deg=-0.445) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.104 (180deg=-0.165) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.19) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= 1.21 (180deg=1.06) USER MOD Single : A 9 SER OG : rot -58:sc= 0.227 USER MOD Single : A 10 THR OG1 : rot 66:sc= -0.495 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 1.09 (180deg=0.969) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= 1.29 (180deg=1.14) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 0.938 (180deg=-0.306) USER MOD Single : A 29 GLN : amide:sc= -4.05! C(o=-4!,f=-10!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0261 K(o=-0.026,f=-6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -144:sc= -2.24! (180deg=-4.76!) USER MOD Single : A 41 THR OG1 : rot -128:sc= 0.756 USER MOD Single : A 42 THR OG1 : rot -150:sc= -3.43! USER MOD Single : A 43 HIS : no HD1:sc= -0.0642 X(o=-0.064,f=-0.093) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= 0.663 (180deg=-0.953!) USER MOD Single : A 48 LYS NZ :NH3+ -144:sc= -4.96! (180deg=-6.55!) USER MOD Single : A 52 CYS SG : rot 51:sc= 0.259 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.269 K(o=0.27,f=-5.3!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.18) USER MOD Single : A 61 SER OG : rot 21:sc= -2.09! USER MOD Single : A 69 GLN : amide:sc= -2.17! X(o=-2.2!,f=-1.7) USER MOD Single : A 74 ASN : amide:sc= -0.05 X(o=-0.05,f=-0.13) USER MOD Single : A 75 HIS : no HD1:sc= -2.25! C(o=-2.2!,f=-4.2!) USER MOD Single : A 76 THR OG1 : rot -125:sc= -4.2! USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 1.13 (180deg=1.09) USER MOD Single : A 82 MET CE :methyl -138:sc= -0.736 (180deg=-1.88!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.0361 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 49:sc= 0.023 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.099 8.490 29.422 1.00 0.00 N ATOM 2 CA MET A 1 -15.082 9.004 28.471 1.00 0.00 C ATOM 3 C MET A 1 -15.278 10.494 28.178 1.00 0.00 C ATOM 4 O MET A 1 -14.688 11.031 27.236 1.00 0.00 O ATOM 5 CB MET A 1 -15.103 8.218 27.159 1.00 0.00 C ATOM 6 CG MET A 1 -16.428 8.280 26.418 1.00 0.00 C ATOM 7 SD MET A 1 -16.409 7.384 24.853 1.00 0.00 S ATOM 8 CE MET A 1 -16.160 5.703 25.420 1.00 0.00 C ATOM 0 H1 MET A 1 -15.975 7.465 29.543 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.985 8.963 30.341 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.051 8.682 29.050 1.00 0.00 H new ATOM 0 HA MET A 1 -14.112 8.871 28.950 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.317 8.599 26.507 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.865 7.175 27.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.212 7.870 27.054 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.683 9.323 26.229 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.423 5.007 24.623 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.114 5.562 25.694 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.791 5.515 26.289 1.00 0.00 H new ATOM 18 N SER A 2 -16.129 11.157 28.967 1.00 0.00 N ATOM 19 CA SER A 2 -16.362 12.594 28.847 1.00 0.00 C ATOM 20 C SER A 2 -17.040 12.988 27.522 1.00 0.00 C ATOM 21 O SER A 2 -17.014 14.156 27.120 1.00 0.00 O ATOM 22 CB SER A 2 -15.047 13.332 29.022 1.00 0.00 C ATOM 23 OG SER A 2 -14.554 13.190 30.347 1.00 0.00 O ATOM 0 H SER A 2 -16.674 10.711 29.705 1.00 0.00 H new ATOM 0 HA SER A 2 -17.058 12.881 29.635 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.313 12.947 28.314 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.186 14.389 28.794 1.00 0.00 H new ATOM 0 HG SER A 2 -13.706 13.673 30.434 1.00 0.00 H new ATOM 29 N ASP A 3 -17.664 12.033 26.853 1.00 0.00 N ATOM 30 CA ASP A 3 -18.358 12.324 25.602 1.00 0.00 C ATOM 31 C ASP A 3 -19.858 12.283 25.787 1.00 0.00 C ATOM 32 O ASP A 3 -20.568 13.208 25.397 1.00 0.00 O ATOM 33 CB ASP A 3 -17.931 11.379 24.476 1.00 0.00 C ATOM 34 CG ASP A 3 -16.658 11.835 23.797 1.00 0.00 C ATOM 35 OD1 ASP A 3 -16.669 12.916 23.169 1.00 0.00 O ATOM 36 OD2 ASP A 3 -15.640 11.120 23.878 1.00 0.00 O ATOM 0 H ASP A 3 -17.707 11.058 27.148 1.00 0.00 H new ATOM 0 HA ASP A 3 -18.073 13.335 25.310 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -17.786 10.377 24.880 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -18.730 11.312 23.738 1.00 0.00 H new ATOM 41 N GLN A 4 -20.355 11.212 26.378 1.00 0.00 N ATOM 42 CA GLN A 4 -21.781 11.077 26.629 1.00 0.00 C ATOM 43 C GLN A 4 -22.207 11.928 27.815 1.00 0.00 C ATOM 44 O GLN A 4 -21.371 12.518 28.511 1.00 0.00 O ATOM 45 CB GLN A 4 -22.163 9.615 26.848 1.00 0.00 C ATOM 46 CG GLN A 4 -21.959 8.740 25.622 1.00 0.00 C ATOM 47 CD GLN A 4 -22.740 9.232 24.415 1.00 0.00 C ATOM 48 OE1 GLN A 4 -23.894 8.857 24.213 1.00 0.00 O ATOM 49 NE2 GLN A 4 -22.115 10.065 23.604 1.00 0.00 N ATOM 0 H GLN A 4 -19.793 10.422 26.694 1.00 0.00 H new ATOM 0 HA GLN A 4 -22.310 11.436 25.746 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -21.573 9.214 27.672 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -23.209 9.563 27.150 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -20.898 8.709 25.375 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -22.262 7.719 25.855 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -21.157 10.352 23.807 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -22.590 10.422 22.775 1.00 0.00 H new ATOM 58 N GLU A 5 -23.503 11.994 28.054 1.00 0.00 N ATOM 59 CA GLU A 5 -24.042 12.826 29.109 1.00 0.00 C ATOM 60 C GLU A 5 -25.429 12.351 29.535 1.00 0.00 C ATOM 61 O GLU A 5 -26.034 11.489 28.889 1.00 0.00 O ATOM 62 CB GLU A 5 -24.089 14.278 28.636 1.00 0.00 C ATOM 63 CG GLU A 5 -24.694 14.447 27.248 1.00 0.00 C ATOM 64 CD GLU A 5 -24.596 15.863 26.733 1.00 0.00 C ATOM 65 OE1 GLU A 5 -23.464 16.330 26.462 1.00 0.00 O ATOM 66 OE2 GLU A 5 -25.641 16.519 26.597 1.00 0.00 O ATOM 0 H GLU A 5 -24.206 11.476 27.526 1.00 0.00 H new ATOM 0 HA GLU A 5 -23.391 12.752 29.980 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -24.667 14.865 29.349 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -23.077 14.684 28.634 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -24.188 13.777 26.553 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -25.742 14.147 27.275 1.00 0.00 H new ATOM 73 N ALA A 6 -25.928 12.911 30.628 1.00 0.00 N ATOM 74 CA ALA A 6 -27.235 12.565 31.160 1.00 0.00 C ATOM 75 C ALA A 6 -27.839 13.761 31.883 1.00 0.00 C ATOM 76 O ALA A 6 -27.238 14.314 32.805 1.00 0.00 O ATOM 77 CB ALA A 6 -27.121 11.383 32.103 1.00 0.00 C ATOM 0 H ALA A 6 -25.435 13.620 31.171 1.00 0.00 H new ATOM 0 HA ALA A 6 -27.889 12.289 30.333 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -28.107 11.134 32.495 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -26.717 10.526 31.565 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -26.457 11.639 32.928 1.00 0.00 H new ATOM 83 N LYS A 7 -29.019 14.173 31.460 1.00 0.00 N ATOM 84 CA LYS A 7 -29.695 15.327 32.044 1.00 0.00 C ATOM 85 C LYS A 7 -31.181 15.283 31.695 1.00 0.00 C ATOM 86 O LYS A 7 -31.599 14.457 30.885 1.00 0.00 O ATOM 87 CB LYS A 7 -29.064 16.648 31.511 1.00 0.00 C ATOM 88 CG LYS A 7 -29.067 16.789 29.985 1.00 0.00 C ATOM 89 CD LYS A 7 -27.835 16.149 29.360 1.00 0.00 C ATOM 90 CE LYS A 7 -26.609 17.030 29.533 1.00 0.00 C ATOM 91 NZ LYS A 7 -26.575 18.128 28.536 1.00 0.00 N ATOM 0 H LYS A 7 -29.538 13.723 30.706 1.00 0.00 H new ATOM 0 HA LYS A 7 -29.578 15.295 33.127 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -29.603 17.492 31.941 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -28.036 16.713 31.866 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -29.965 16.324 29.578 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -29.105 17.845 29.717 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -27.655 15.177 29.819 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -28.012 15.973 28.299 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -26.603 17.451 30.538 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -25.709 16.423 29.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -25.946 18.884 28.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -26.221 17.763 27.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -27.534 18.508 28.405 1.00 0.00 H new ATOM 105 N PRO A 8 -32.014 16.124 32.330 1.00 0.00 N ATOM 106 CA PRO A 8 -33.416 16.236 31.958 1.00 0.00 C ATOM 107 C PRO A 8 -33.557 17.103 30.708 1.00 0.00 C ATOM 108 O PRO A 8 -32.738 18.004 30.478 1.00 0.00 O ATOM 109 CB PRO A 8 -34.043 16.931 33.166 1.00 0.00 C ATOM 110 CG PRO A 8 -32.946 17.765 33.725 1.00 0.00 C ATOM 111 CD PRO A 8 -31.675 16.998 33.480 1.00 0.00 C ATOM 0 HA PRO A 8 -33.883 15.279 31.727 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -34.897 17.542 32.874 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -34.404 16.208 33.897 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -32.912 18.741 33.241 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -33.095 17.943 34.790 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -30.843 17.663 33.247 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -31.383 16.416 34.354 1.00 0.00 H new ATOM 119 N SER A 9 -34.577 16.838 29.895 1.00 0.00 N ATOM 120 CA SER A 9 -34.801 17.588 28.659 1.00 0.00 C ATOM 121 C SER A 9 -33.564 17.532 27.733 1.00 0.00 C ATOM 122 O SER A 9 -33.193 18.522 27.094 1.00 0.00 O ATOM 123 CB SER A 9 -35.175 19.047 28.991 1.00 0.00 C ATOM 124 OG SER A 9 -35.650 19.739 27.842 1.00 0.00 O ATOM 0 H SER A 9 -35.265 16.106 30.070 1.00 0.00 H new ATOM 0 HA SER A 9 -35.629 17.125 28.122 1.00 0.00 H new ATOM 0 HB2 SER A 9 -35.941 19.060 29.767 1.00 0.00 H new ATOM 0 HB3 SER A 9 -34.304 19.564 29.394 1.00 0.00 H new ATOM 0 HG SER A 9 -34.967 19.714 27.140 1.00 0.00 H new ATOM 130 N THR A 10 -32.932 16.368 27.658 1.00 0.00 N ATOM 131 CA THR A 10 -31.759 16.180 26.813 1.00 0.00 C ATOM 132 C THR A 10 -32.125 16.317 25.337 1.00 0.00 C ATOM 133 O THR A 10 -33.217 15.924 24.911 1.00 0.00 O ATOM 134 CB THR A 10 -31.119 14.787 27.038 1.00 0.00 C ATOM 135 OG1 THR A 10 -30.823 14.606 28.421 1.00 0.00 O ATOM 136 CG2 THR A 10 -29.834 14.630 26.232 1.00 0.00 C ATOM 0 H THR A 10 -33.214 15.535 28.175 1.00 0.00 H new ATOM 0 HA THR A 10 -31.042 16.953 27.088 1.00 0.00 H new ATOM 0 HB THR A 10 -31.835 14.035 26.705 1.00 0.00 H new ATOM 0 HG1 THR A 10 -31.658 14.569 28.932 1.00 0.00 H new ATOM 0 HG21 THR A 10 -29.410 13.642 26.412 1.00 0.00 H new ATOM 0 HG22 THR A 10 -30.054 14.742 25.170 1.00 0.00 H new ATOM 0 HG23 THR A 10 -29.118 15.393 26.537 1.00 0.00 H new ATOM 144 N GLU A 11 -31.226 16.888 24.564 1.00 0.00 N ATOM 145 CA GLU A 11 -31.417 17.025 23.141 1.00 0.00 C ATOM 146 C GLU A 11 -30.074 16.999 22.439 1.00 0.00 C ATOM 147 O GLU A 11 -29.047 17.374 23.018 1.00 0.00 O ATOM 148 CB GLU A 11 -32.181 18.312 22.796 1.00 0.00 C ATOM 149 CG GLU A 11 -31.470 19.591 23.203 1.00 0.00 C ATOM 150 CD GLU A 11 -32.195 20.828 22.726 1.00 0.00 C ATOM 151 OE1 GLU A 11 -33.145 21.267 23.406 1.00 0.00 O ATOM 152 OE2 GLU A 11 -31.816 21.378 21.671 1.00 0.00 O ATOM 0 H GLU A 11 -30.344 17.269 24.907 1.00 0.00 H new ATOM 0 HA GLU A 11 -32.020 16.185 22.795 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -32.361 18.337 21.721 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -33.156 18.282 23.282 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -31.378 19.623 24.289 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -30.458 19.586 22.797 1.00 0.00 H new ATOM 159 N ASP A 12 -30.064 16.543 21.207 1.00 0.00 N ATOM 160 CA ASP A 12 -28.842 16.472 20.432 1.00 0.00 C ATOM 161 C ASP A 12 -28.455 17.860 19.949 1.00 0.00 C ATOM 162 O ASP A 12 -29.315 18.649 19.541 1.00 0.00 O ATOM 163 CB ASP A 12 -29.024 15.532 19.236 1.00 0.00 C ATOM 164 CG ASP A 12 -27.723 15.232 18.513 1.00 0.00 C ATOM 165 OD1 ASP A 12 -27.266 16.076 17.719 1.00 0.00 O ATOM 166 OD2 ASP A 12 -27.164 14.136 18.721 1.00 0.00 O ATOM 0 H ASP A 12 -30.894 16.213 20.715 1.00 0.00 H new ATOM 0 HA ASP A 12 -28.046 16.080 21.066 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -29.466 14.597 19.580 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -29.729 15.978 18.534 1.00 0.00 H new ATOM 171 N LEU A 13 -27.165 18.175 20.026 1.00 0.00 N ATOM 172 CA LEU A 13 -26.634 19.463 19.561 1.00 0.00 C ATOM 173 C LEU A 13 -27.030 19.762 18.107 1.00 0.00 C ATOM 174 O LEU A 13 -27.033 20.911 17.678 1.00 0.00 O ATOM 175 CB LEU A 13 -25.097 19.518 19.712 1.00 0.00 C ATOM 176 CG LEU A 13 -24.276 18.526 18.858 1.00 0.00 C ATOM 177 CD1 LEU A 13 -22.822 18.955 18.804 1.00 0.00 C ATOM 178 CD2 LEU A 13 -24.373 17.107 19.410 1.00 0.00 C ATOM 0 H LEU A 13 -26.456 17.550 20.410 1.00 0.00 H new ATOM 0 HA LEU A 13 -27.080 20.231 20.193 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -24.768 20.528 19.469 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -24.853 19.347 20.760 1.00 0.00 H new ATOM 0 HG LEU A 13 -24.693 18.532 17.851 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -22.256 18.247 18.199 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.752 19.948 18.361 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -22.412 18.979 19.814 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.785 16.433 18.787 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -23.989 17.086 20.430 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -25.415 16.786 19.408 1.00 0.00 H new ATOM 190 N GLY A 14 -27.347 18.724 17.352 1.00 0.00 N ATOM 191 CA GLY A 14 -27.775 18.906 15.988 1.00 0.00 C ATOM 192 C GLY A 14 -26.676 18.640 14.998 1.00 0.00 C ATOM 193 O GLY A 14 -26.909 18.053 13.942 1.00 0.00 O ATOM 0 H GLY A 14 -27.314 17.754 17.664 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -28.613 18.241 15.782 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -28.138 19.926 15.858 1.00 0.00 H new ATOM 197 N ASP A 15 -25.460 19.023 15.339 1.00 0.00 N ATOM 198 CA ASP A 15 -24.332 18.837 14.445 1.00 0.00 C ATOM 199 C ASP A 15 -23.343 17.873 15.060 1.00 0.00 C ATOM 200 O ASP A 15 -22.308 18.266 15.599 1.00 0.00 O ATOM 201 CB ASP A 15 -23.649 20.174 14.134 1.00 0.00 C ATOM 202 CG ASP A 15 -22.515 20.040 13.124 1.00 0.00 C ATOM 203 OD1 ASP A 15 -22.801 19.837 11.924 1.00 0.00 O ATOM 204 OD2 ASP A 15 -21.334 20.160 13.518 1.00 0.00 O ATOM 0 H ASP A 15 -25.228 19.465 16.229 1.00 0.00 H new ATOM 0 HA ASP A 15 -24.701 18.422 13.507 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -24.391 20.874 13.749 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -23.258 20.600 15.058 1.00 0.00 H new ATOM 209 N LYS A 16 -23.683 16.616 15.040 1.00 0.00 N ATOM 210 CA LYS A 16 -22.814 15.599 15.573 1.00 0.00 C ATOM 211 C LYS A 16 -22.202 14.812 14.425 1.00 0.00 C ATOM 212 O LYS A 16 -22.768 13.825 13.957 1.00 0.00 O ATOM 213 CB LYS A 16 -23.594 14.670 16.520 1.00 0.00 C ATOM 214 CG LYS A 16 -22.757 14.032 17.640 1.00 0.00 C ATOM 215 CD LYS A 16 -21.651 13.121 17.112 1.00 0.00 C ATOM 216 CE LYS A 16 -22.203 11.855 16.461 1.00 0.00 C ATOM 217 NZ LYS A 16 -21.115 11.005 15.906 1.00 0.00 N ATOM 0 H LYS A 16 -24.562 16.266 14.658 1.00 0.00 H new ATOM 0 HA LYS A 16 -22.015 16.067 16.148 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.407 15.237 16.973 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -24.050 13.875 15.930 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -22.312 14.820 18.248 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -23.413 13.457 18.294 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.049 13.667 16.386 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.988 12.845 17.932 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.771 11.285 17.196 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.895 12.127 15.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -21.526 10.266 15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.467 11.593 15.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.590 10.560 16.686 1.00 0.00 H new ATOM 231 N LYS A 17 -21.057 15.265 13.949 1.00 0.00 N ATOM 232 CA LYS A 17 -20.372 14.593 12.860 1.00 0.00 C ATOM 233 C LYS A 17 -19.717 13.317 13.354 1.00 0.00 C ATOM 234 O LYS A 17 -19.687 13.039 14.560 1.00 0.00 O ATOM 235 CB LYS A 17 -19.328 15.517 12.221 1.00 0.00 C ATOM 236 CG LYS A 17 -18.280 16.040 13.194 1.00 0.00 C ATOM 237 CD LYS A 17 -17.244 16.904 12.491 1.00 0.00 C ATOM 238 CE LYS A 17 -16.379 16.091 11.545 1.00 0.00 C ATOM 239 NZ LYS A 17 -15.378 16.934 10.851 1.00 0.00 N ATOM 0 H LYS A 17 -20.581 16.096 14.300 1.00 0.00 H new ATOM 0 HA LYS A 17 -21.110 14.335 12.101 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -18.825 14.978 11.418 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -19.840 16.365 11.765 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -18.768 16.621 13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -17.784 15.200 13.681 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -17.747 17.694 11.934 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.612 17.390 13.234 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.869 15.306 12.103 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -17.012 15.597 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.807 16.342 10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.865 17.667 10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.758 17.385 11.553 1.00 0.00 H new ATOM 253 N GLU A 18 -19.197 12.532 12.447 1.00 0.00 N ATOM 254 CA GLU A 18 -18.558 11.292 12.818 1.00 0.00 C ATOM 255 C GLU A 18 -17.058 11.519 13.009 1.00 0.00 C ATOM 256 O GLU A 18 -16.555 12.629 12.782 1.00 0.00 O ATOM 257 CB GLU A 18 -18.828 10.216 11.755 1.00 0.00 C ATOM 258 CG GLU A 18 -18.760 8.793 12.292 1.00 0.00 C ATOM 259 CD GLU A 18 -19.657 8.594 13.499 1.00 0.00 C ATOM 260 OE1 GLU A 18 -19.265 9.000 14.611 1.00 0.00 O ATOM 261 OE2 GLU A 18 -20.759 8.039 13.342 1.00 0.00 O ATOM 0 H GLU A 18 -19.202 12.727 11.446 1.00 0.00 H new ATOM 0 HA GLU A 18 -18.973 10.940 13.762 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -19.814 10.385 11.323 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -18.103 10.325 10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -19.050 8.095 11.506 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.731 8.557 12.563 1.00 0.00 H new ATOM 268 N GLY A 19 -16.339 10.490 13.432 1.00 0.00 N ATOM 269 CA GLY A 19 -14.917 10.621 13.640 1.00 0.00 C ATOM 270 C GLY A 19 -14.169 10.714 12.329 1.00 0.00 C ATOM 271 O GLY A 19 -14.712 10.390 11.271 1.00 0.00 O ATOM 0 H GLY A 19 -16.719 9.565 13.635 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.717 11.510 14.238 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.551 9.766 14.208 1.00 0.00 H new ATOM 275 N GLU A 20 -12.931 11.155 12.382 1.00 0.00 N ATOM 276 CA GLU A 20 -12.130 11.301 11.183 1.00 0.00 C ATOM 277 C GLU A 20 -11.474 9.984 10.808 1.00 0.00 C ATOM 278 O GLU A 20 -10.626 9.463 11.541 1.00 0.00 O ATOM 279 CB GLU A 20 -11.071 12.375 11.380 1.00 0.00 C ATOM 280 CG GLU A 20 -10.199 12.614 10.157 1.00 0.00 C ATOM 281 CD GLU A 20 -9.172 13.692 10.389 1.00 0.00 C ATOM 282 OE1 GLU A 20 -8.105 13.389 10.967 1.00 0.00 O ATOM 283 OE2 GLU A 20 -9.428 14.852 10.007 1.00 0.00 O ATOM 0 H GLU A 20 -12.455 11.420 13.244 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.790 11.601 10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.562 13.309 11.652 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.434 12.094 12.219 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.694 11.687 9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.830 12.892 9.312 1.00 0.00 H new ATOM 290 N TYR A 21 -11.887 9.433 9.692 1.00 0.00 N ATOM 291 CA TYR A 21 -11.330 8.198 9.194 1.00 0.00 C ATOM 292 C TYR A 21 -11.376 8.195 7.677 1.00 0.00 C ATOM 293 O TYR A 21 -12.090 8.996 7.064 1.00 0.00 O ATOM 294 CB TYR A 21 -12.095 6.991 9.753 1.00 0.00 C ATOM 295 CG TYR A 21 -13.526 6.901 9.279 1.00 0.00 C ATOM 296 CD1 TYR A 21 -14.531 7.636 9.891 1.00 0.00 C ATOM 297 CD2 TYR A 21 -13.870 6.084 8.211 1.00 0.00 C ATOM 298 CE1 TYR A 21 -15.838 7.560 9.455 1.00 0.00 C ATOM 299 CE2 TYR A 21 -15.171 6.002 7.767 1.00 0.00 C ATOM 300 CZ TYR A 21 -16.152 6.741 8.391 1.00 0.00 C ATOM 301 OH TYR A 21 -17.457 6.662 7.948 1.00 0.00 O ATOM 0 H TYR A 21 -12.620 9.829 9.103 1.00 0.00 H new ATOM 0 HA TYR A 21 -10.294 8.122 9.523 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.571 6.078 9.470 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -12.086 7.040 10.842 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -14.286 8.279 10.723 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -13.104 5.502 7.720 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -16.609 8.137 9.943 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -15.421 5.362 6.934 1.00 0.00 H new ATOM 0 HH TYR A 21 -17.508 6.042 7.191 1.00 0.00 H new ATOM 311 N ILE A 22 -10.637 7.304 7.071 1.00 0.00 N ATOM 312 CA ILE A 22 -10.600 7.198 5.632 1.00 0.00 C ATOM 313 C ILE A 22 -10.495 5.740 5.204 1.00 0.00 C ATOM 314 O ILE A 22 -9.752 4.964 5.779 1.00 0.00 O ATOM 315 CB ILE A 22 -9.442 8.053 5.020 1.00 0.00 C ATOM 316 CG1 ILE A 22 -9.003 7.516 3.650 1.00 0.00 C ATOM 317 CG2 ILE A 22 -8.262 8.139 5.975 1.00 0.00 C ATOM 318 CD1 ILE A 22 -8.033 8.423 2.922 1.00 0.00 C ATOM 0 H ILE A 22 -10.044 6.631 7.557 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.536 7.601 5.244 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.828 9.061 4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.541 6.538 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.886 7.369 3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.472 8.739 5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.582 8.603 6.908 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.885 7.137 6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.768 7.978 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.498 9.394 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.133 8.551 3.523 1.00 0.00 H new ATOM 330 N LYS A 23 -11.274 5.360 4.223 1.00 0.00 N ATOM 331 CA LYS A 23 -11.253 4.001 3.717 1.00 0.00 C ATOM 332 C LYS A 23 -10.471 3.942 2.420 1.00 0.00 C ATOM 333 O LYS A 23 -10.592 4.822 1.583 1.00 0.00 O ATOM 334 CB LYS A 23 -12.682 3.497 3.484 1.00 0.00 C ATOM 335 CG LYS A 23 -13.527 4.444 2.638 1.00 0.00 C ATOM 336 CD LYS A 23 -14.841 3.818 2.205 1.00 0.00 C ATOM 337 CE LYS A 23 -14.619 2.682 1.222 1.00 0.00 C ATOM 338 NZ LYS A 23 -15.886 2.243 0.595 1.00 0.00 N ATOM 0 H LYS A 23 -11.938 5.975 3.752 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.770 3.362 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.641 2.524 2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.169 3.350 4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.730 5.351 3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.961 4.741 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.373 3.445 3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.474 4.578 1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.922 3.002 0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.158 1.840 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.784 1.266 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.653 2.287 1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.112 2.867 -0.205 1.00 0.00 H new ATOM 352 N LEU A 24 -9.656 2.927 2.255 1.00 0.00 N ATOM 353 CA LEU A 24 -8.906 2.758 1.019 1.00 0.00 C ATOM 354 C LEU A 24 -9.031 1.336 0.507 1.00 0.00 C ATOM 355 O LEU A 24 -9.142 0.387 1.289 1.00 0.00 O ATOM 356 CB LEU A 24 -7.434 3.122 1.220 1.00 0.00 C ATOM 357 CG LEU A 24 -7.143 4.603 1.475 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.669 4.814 1.739 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.598 5.450 0.292 1.00 0.00 C ATOM 0 H LEU A 24 -9.491 2.204 2.955 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.328 3.433 0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.048 2.545 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.878 2.809 0.336 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.701 4.916 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.479 5.872 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.370 4.238 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.094 4.484 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.383 6.500 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.067 5.135 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.670 5.321 0.143 1.00 0.00 H new ATOM 371 N LYS A 25 -9.030 1.175 -0.803 1.00 0.00 N ATOM 372 CA LYS A 25 -9.115 -0.139 -1.389 1.00 0.00 C ATOM 373 C LYS A 25 -7.923 -0.417 -2.270 1.00 0.00 C ATOM 374 O LYS A 25 -7.547 0.386 -3.130 1.00 0.00 O ATOM 375 CB LYS A 25 -10.453 -0.345 -2.140 1.00 0.00 C ATOM 376 CG LYS A 25 -10.503 -1.577 -3.071 1.00 0.00 C ATOM 377 CD LYS A 25 -10.116 -1.220 -4.499 1.00 0.00 C ATOM 378 CE LYS A 25 -10.603 -2.253 -5.503 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.079 -2.451 -5.460 1.00 0.00 N ATOM 0 H LYS A 25 -8.971 1.939 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.097 -0.867 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.254 -0.432 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.660 0.546 -2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.830 -2.346 -2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.508 -2.000 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.532 -0.245 -4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.032 -1.132 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.312 -1.943 -6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.108 -3.204 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.402 -2.852 -6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.319 -3.103 -4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.547 -1.536 -5.300 1.00 0.00 H new ATOM 393 N VAL A 26 -7.316 -1.544 -2.043 1.00 0.00 N ATOM 394 CA VAL A 26 -6.193 -1.969 -2.821 1.00 0.00 C ATOM 395 C VAL A 26 -6.668 -2.952 -3.870 1.00 0.00 C ATOM 396 O VAL A 26 -7.442 -3.868 -3.572 1.00 0.00 O ATOM 397 CB VAL A 26 -5.100 -2.617 -1.937 1.00 0.00 C ATOM 398 CG1 VAL A 26 -3.978 -3.179 -2.791 1.00 0.00 C ATOM 399 CG2 VAL A 26 -4.551 -1.607 -0.943 1.00 0.00 C ATOM 0 H VAL A 26 -7.588 -2.197 -1.308 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.748 -1.096 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.555 -3.439 -1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.222 -3.629 -2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.378 -3.936 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.527 -2.376 -3.374 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.784 -2.080 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.117 -0.765 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.358 -1.251 -0.303 1.00 0.00 H new ATOM 409 N ILE A 27 -6.249 -2.749 -5.094 1.00 0.00 N ATOM 410 CA ILE A 27 -6.640 -3.609 -6.182 1.00 0.00 C ATOM 411 C ILE A 27 -5.412 -4.031 -6.981 1.00 0.00 C ATOM 412 O ILE A 27 -4.427 -3.307 -7.041 1.00 0.00 O ATOM 413 CB ILE A 27 -7.665 -2.907 -7.116 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.243 -3.902 -8.127 1.00 0.00 C ATOM 415 CG2 ILE A 27 -7.033 -1.716 -7.828 1.00 0.00 C ATOM 416 CD1 ILE A 27 -9.186 -3.281 -9.133 1.00 0.00 C ATOM 0 H ILE A 27 -5.629 -1.985 -5.364 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.118 -4.492 -5.759 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.482 -2.532 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.422 -4.379 -8.661 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.771 -4.688 -7.587 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.773 -1.244 -8.475 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.683 -0.994 -7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.190 -2.057 -8.429 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.551 -4.051 -9.813 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.029 -2.828 -8.611 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.658 -2.516 -9.702 1.00 0.00 H new ATOM 428 N GLY A 28 -5.461 -5.206 -7.564 1.00 0.00 N ATOM 429 CA GLY A 28 -4.359 -5.671 -8.368 1.00 0.00 C ATOM 430 C GLY A 28 -4.819 -6.135 -9.719 1.00 0.00 C ATOM 431 O GLY A 28 -6.023 -6.273 -9.956 1.00 0.00 O ATOM 0 H GLY A 28 -6.247 -5.852 -7.497 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.630 -4.869 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.853 -6.488 -7.855 1.00 0.00 H new ATOM 435 N GLN A 29 -3.878 -6.400 -10.625 1.00 0.00 N ATOM 436 CA GLN A 29 -4.227 -6.890 -11.962 1.00 0.00 C ATOM 437 C GLN A 29 -4.863 -8.275 -11.865 1.00 0.00 C ATOM 438 O GLN A 29 -5.490 -8.762 -12.801 1.00 0.00 O ATOM 439 CB GLN A 29 -2.991 -6.949 -12.886 1.00 0.00 C ATOM 440 CG GLN A 29 -2.110 -8.188 -12.709 1.00 0.00 C ATOM 441 CD GLN A 29 -1.132 -8.077 -11.564 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.010 -7.629 -11.740 1.00 0.00 O ATOM 443 NE2 GLN A 29 -1.537 -8.512 -10.391 1.00 0.00 N ATOM 0 H GLN A 29 -2.878 -6.286 -10.462 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.941 -6.189 -12.395 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.328 -6.906 -13.922 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.383 -6.061 -12.712 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.748 -9.057 -12.548 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.557 -8.365 -13.632 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.482 -8.880 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.906 -8.482 -9.590 1.00 0.00 H new ATOM 452 N ASP A 30 -4.685 -8.909 -10.714 1.00 0.00 N ATOM 453 CA ASP A 30 -5.217 -10.235 -10.453 1.00 0.00 C ATOM 454 C ASP A 30 -6.684 -10.151 -10.013 1.00 0.00 C ATOM 455 O ASP A 30 -7.281 -11.137 -9.604 1.00 0.00 O ATOM 456 CB ASP A 30 -4.360 -10.907 -9.366 1.00 0.00 C ATOM 457 CG ASP A 30 -4.649 -12.382 -9.190 1.00 0.00 C ATOM 458 OD1 ASP A 30 -4.276 -13.175 -10.086 1.00 0.00 O ATOM 459 OD2 ASP A 30 -5.223 -12.761 -8.146 1.00 0.00 O ATOM 0 H ASP A 30 -4.164 -8.513 -9.932 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.180 -10.830 -11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.307 -10.779 -9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.527 -10.397 -8.417 1.00 0.00 H new ATOM 464 N SER A 31 -7.255 -8.940 -10.104 1.00 0.00 N ATOM 465 CA SER A 31 -8.647 -8.674 -9.719 1.00 0.00 C ATOM 466 C SER A 31 -8.841 -8.784 -8.208 1.00 0.00 C ATOM 467 O SER A 31 -9.964 -8.809 -7.706 1.00 0.00 O ATOM 468 CB SER A 31 -9.620 -9.593 -10.472 1.00 0.00 C ATOM 469 OG SER A 31 -9.574 -9.340 -11.872 1.00 0.00 O ATOM 0 H SER A 31 -6.762 -8.116 -10.448 1.00 0.00 H new ATOM 0 HA SER A 31 -8.873 -7.647 -10.005 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.367 -10.635 -10.278 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.634 -9.437 -10.103 1.00 0.00 H new ATOM 0 HG SER A 31 -10.200 -9.937 -12.333 1.00 0.00 H new ATOM 475 N SER A 32 -7.739 -8.842 -7.484 1.00 0.00 N ATOM 476 CA SER A 32 -7.778 -8.900 -6.046 1.00 0.00 C ATOM 477 C SER A 32 -8.115 -7.520 -5.496 1.00 0.00 C ATOM 478 O SER A 32 -7.463 -6.528 -5.833 1.00 0.00 O ATOM 479 CB SER A 32 -6.429 -9.386 -5.500 1.00 0.00 C ATOM 480 OG SER A 32 -6.483 -9.600 -4.100 1.00 0.00 O ATOM 0 H SER A 32 -6.799 -8.850 -7.880 1.00 0.00 H new ATOM 0 HA SER A 32 -8.546 -9.606 -5.730 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.145 -10.312 -6.000 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.657 -8.651 -5.727 1.00 0.00 H new ATOM 0 HG SER A 32 -5.609 -9.911 -3.783 1.00 0.00 H new ATOM 486 N GLU A 33 -9.150 -7.448 -4.683 1.00 0.00 N ATOM 487 CA GLU A 33 -9.563 -6.193 -4.104 1.00 0.00 C ATOM 488 C GLU A 33 -9.783 -6.318 -2.611 1.00 0.00 C ATOM 489 O GLU A 33 -10.419 -7.261 -2.127 1.00 0.00 O ATOM 490 CB GLU A 33 -10.805 -5.639 -4.809 1.00 0.00 C ATOM 491 CG GLU A 33 -12.060 -6.476 -4.666 1.00 0.00 C ATOM 492 CD GLU A 33 -13.159 -5.719 -3.961 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.192 -4.470 -4.067 1.00 0.00 O ATOM 494 OE2 GLU A 33 -13.987 -6.355 -3.280 1.00 0.00 O ATOM 0 H GLU A 33 -9.720 -8.249 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.753 -5.479 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.008 -4.641 -4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.581 -5.529 -5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.406 -6.785 -5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.830 -7.385 -4.110 1.00 0.00 H new ATOM 501 N ILE A 34 -9.231 -5.381 -1.872 1.00 0.00 N ATOM 502 CA ILE A 34 -9.347 -5.367 -0.426 1.00 0.00 C ATOM 503 C ILE A 34 -9.659 -3.966 0.062 1.00 0.00 C ATOM 504 O ILE A 34 -9.067 -2.994 -0.394 1.00 0.00 O ATOM 505 CB ILE A 34 -8.052 -5.870 0.254 1.00 0.00 C ATOM 506 CG1 ILE A 34 -6.828 -5.164 -0.341 1.00 0.00 C ATOM 507 CG2 ILE A 34 -7.928 -7.380 0.125 1.00 0.00 C ATOM 508 CD1 ILE A 34 -5.505 -5.628 0.224 1.00 0.00 C ATOM 0 H ILE A 34 -8.689 -4.606 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.160 -6.041 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.102 -5.629 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.823 -5.319 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.925 -4.091 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.010 -7.712 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.784 -7.857 0.602 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.901 -7.654 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.693 -5.078 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.485 -5.448 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.381 -6.694 0.033 1.00 0.00 H new ATOM 520 N HIS A 35 -10.603 -3.855 0.969 1.00 0.00 N ATOM 521 CA HIS A 35 -10.996 -2.561 1.509 1.00 0.00 C ATOM 522 C HIS A 35 -10.564 -2.472 2.955 1.00 0.00 C ATOM 523 O HIS A 35 -10.950 -3.296 3.778 1.00 0.00 O ATOM 524 CB HIS A 35 -12.524 -2.357 1.426 1.00 0.00 C ATOM 525 CG HIS A 35 -13.122 -2.457 0.048 1.00 0.00 C ATOM 526 ND1 HIS A 35 -14.238 -1.747 -0.338 1.00 0.00 N ATOM 527 CD2 HIS A 35 -12.782 -3.212 -1.019 1.00 0.00 C ATOM 528 CE1 HIS A 35 -14.553 -2.066 -1.575 1.00 0.00 C ATOM 529 NE2 HIS A 35 -13.683 -2.951 -2.011 1.00 0.00 N ATOM 0 H HIS A 35 -11.119 -4.646 1.354 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.513 -1.784 0.917 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -13.006 -3.096 2.066 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -12.764 -1.376 1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.949 -3.897 -1.077 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -15.385 -1.668 -2.137 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.682 -3.374 -2.939 1.00 0.00 H new ATOM 538 N PHE A 36 -9.758 -1.492 3.276 1.00 0.00 N ATOM 539 CA PHE A 36 -9.294 -1.328 4.636 1.00 0.00 C ATOM 540 C PHE A 36 -9.565 0.062 5.149 1.00 0.00 C ATOM 541 O PHE A 36 -9.585 1.039 4.392 1.00 0.00 O ATOM 542 CB PHE A 36 -7.807 -1.648 4.762 1.00 0.00 C ATOM 543 CG PHE A 36 -7.496 -3.117 4.777 1.00 0.00 C ATOM 544 CD1 PHE A 36 -7.508 -3.826 5.969 1.00 0.00 C ATOM 545 CD2 PHE A 36 -7.187 -3.790 3.607 1.00 0.00 C ATOM 546 CE1 PHE A 36 -7.219 -5.175 5.992 1.00 0.00 C ATOM 547 CE2 PHE A 36 -6.897 -5.138 3.626 1.00 0.00 C ATOM 548 CZ PHE A 36 -6.913 -5.832 4.819 1.00 0.00 C ATOM 0 H PHE A 36 -9.408 -0.795 2.618 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.853 -2.036 5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.275 -1.183 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.425 -1.197 5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.746 -3.316 6.891 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.173 -3.254 2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.232 -5.715 6.927 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.657 -5.651 2.707 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.686 -6.888 4.834 1.00 0.00 H new ATOM 558 N LYS A 37 -9.781 0.150 6.435 1.00 0.00 N ATOM 559 CA LYS A 37 -10.017 1.407 7.087 1.00 0.00 C ATOM 560 C LYS A 37 -8.712 1.951 7.636 1.00 0.00 C ATOM 561 O LYS A 37 -7.993 1.261 8.364 1.00 0.00 O ATOM 562 CB LYS A 37 -11.019 1.241 8.217 1.00 0.00 C ATOM 563 CG LYS A 37 -11.251 2.513 8.989 1.00 0.00 C ATOM 564 CD LYS A 37 -12.055 2.266 10.237 1.00 0.00 C ATOM 565 CE LYS A 37 -12.088 3.506 11.088 1.00 0.00 C ATOM 566 NZ LYS A 37 -12.838 3.289 12.347 1.00 0.00 N ATOM 0 H LYS A 37 -9.798 -0.655 7.062 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.426 2.107 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.967 0.894 7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.665 0.468 8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.292 2.957 9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.771 3.233 8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.070 1.971 9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.620 1.441 10.801 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.069 3.815 11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.547 4.320 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.839 4.166 12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.818 3.019 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.385 2.530 12.894 1.00 0.00 H new ATOM 580 N VAL A 38 -8.401 3.176 7.296 1.00 0.00 N ATOM 581 CA VAL A 38 -7.162 3.794 7.707 1.00 0.00 C ATOM 582 C VAL A 38 -7.400 5.204 8.222 1.00 0.00 C ATOM 583 O VAL A 38 -8.527 5.711 8.192 1.00 0.00 O ATOM 584 CB VAL A 38 -6.151 3.821 6.539 1.00 0.00 C ATOM 585 CG1 VAL A 38 -5.798 2.409 6.133 1.00 0.00 C ATOM 586 CG2 VAL A 38 -6.704 4.595 5.347 1.00 0.00 C ATOM 0 H VAL A 38 -8.999 3.775 6.726 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.746 3.196 8.518 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.250 4.332 6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.085 2.435 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.354 1.887 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.700 1.885 5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.970 4.596 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.622 4.121 5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.916 5.621 5.646 1.00 0.00 H new HETATM 596 OH ALY A 39 -2.505 9.279 14.874 1.00 0.00 O HETATM 597 CH ALY A 39 -2.653 9.567 13.682 1.00 0.00 C HETATM 598 CH3 ALY A 39 -2.966 10.972 13.244 1.00 0.00 C HETATM 599 NZ ALY A 39 -2.509 8.673 12.716 1.00 0.00 N HETATM 600 CE ALY A 39 -2.863 7.266 12.859 1.00 0.00 C HETATM 601 CD ALY A 39 -4.309 7.009 12.477 1.00 0.00 C HETATM 602 CG ALY A 39 -4.546 7.165 10.979 1.00 0.00 C HETATM 603 CB ALY A 39 -6.041 7.295 10.695 1.00 0.00 C HETATM 604 CA ALY A 39 -6.466 7.184 9.213 1.00 0.00 C HETATM 605 N ALY A 39 -6.360 5.829 8.735 1.00 0.00 N HETATM 606 C ALY A 39 -5.663 8.117 8.309 1.00 0.00 C HETATM 607 O ALY A 39 -5.390 7.791 7.155 1.00 0.00 O HETATM 0 HH33 ALY A 39 -3.905 11.293 13.694 1.00 0.00 H new HETATM 0 HH32 ALY A 39 -2.165 11.639 13.562 1.00 0.00 H new HETATM 0 HH31 ALY A 39 -3.055 11.003 12.158 1.00 0.00 H new HETATM 0 HZ ALY A 39 -2.129 8.986 11.822 1.00 0.00 H new HETATM 0 HG3 ALY A 39 -4.140 6.304 10.447 1.00 0.00 H new HETATM 0 HG2 ALY A 39 -4.020 8.045 10.609 1.00 0.00 H new HETATM 0 HE3 ALY A 39 -2.698 6.952 13.890 1.00 0.00 H new HETATM 0 HE2 ALY A 39 -2.208 6.661 12.232 1.00 0.00 H new HETATM 0 HD3 ALY A 39 -4.954 7.700 13.019 1.00 0.00 H new HETATM 0 HD2 ALY A 39 -4.591 6.002 12.785 1.00 0.00 H new HETATM 0 HCA ALY A 39 -7.511 7.492 9.171 1.00 0.00 H new HETATM 0 HB3 ALY A 39 -6.380 8.258 11.078 1.00 0.00 H new HETATM 0 HB2 ALY A 39 -6.565 6.525 11.260 1.00 0.00 H new ATOM 622 N MET A 40 -5.242 9.244 8.828 1.00 0.00 N ATOM 623 CA MET A 40 -4.588 10.241 8.011 1.00 0.00 C ATOM 624 C MET A 40 -3.131 9.870 7.743 1.00 0.00 C ATOM 625 O MET A 40 -2.647 9.984 6.622 1.00 0.00 O ATOM 626 CB MET A 40 -4.680 11.619 8.679 1.00 0.00 C ATOM 627 CG MET A 40 -4.219 12.790 7.810 1.00 0.00 C ATOM 628 SD MET A 40 -5.451 13.349 6.587 1.00 0.00 S ATOM 629 CE MET A 40 -5.506 11.991 5.412 1.00 0.00 C ATOM 0 H MET A 40 -5.340 9.496 9.812 1.00 0.00 H new ATOM 0 HA MET A 40 -5.102 10.281 7.051 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.714 11.793 8.978 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.082 11.605 9.590 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.961 13.628 8.458 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.309 12.501 7.285 1.00 0.00 H new ATOM 0 HE1 MET A 40 -5.649 12.386 4.406 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.569 11.435 5.454 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.333 11.327 5.662 1.00 0.00 H new ATOM 639 N THR A 41 -2.437 9.386 8.759 1.00 0.00 N ATOM 640 CA THR A 41 -1.026 9.068 8.611 1.00 0.00 C ATOM 641 C THR A 41 -0.750 7.559 8.668 1.00 0.00 C ATOM 642 O THR A 41 0.360 7.136 8.998 1.00 0.00 O ATOM 643 CB THR A 41 -0.178 9.788 9.682 1.00 0.00 C ATOM 644 OG1 THR A 41 -0.619 9.408 10.985 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.290 11.296 9.543 1.00 0.00 C ATOM 0 H THR A 41 -2.822 9.206 9.686 1.00 0.00 H new ATOM 0 HA THR A 41 -0.739 9.422 7.621 1.00 0.00 H new ATOM 0 HB THR A 41 0.863 9.497 9.539 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.795 10.211 11.518 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.317 11.778 10.309 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.064 11.598 8.557 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.331 11.596 9.663 1.00 0.00 H new ATOM 653 N THR A 42 -1.740 6.743 8.328 1.00 0.00 N ATOM 654 CA THR A 42 -1.561 5.294 8.341 1.00 0.00 C ATOM 655 C THR A 42 -0.535 4.853 7.296 1.00 0.00 C ATOM 656 O THR A 42 -0.592 5.265 6.135 1.00 0.00 O ATOM 657 CB THR A 42 -2.891 4.560 8.077 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.835 4.898 9.092 1.00 0.00 O ATOM 659 CG2 THR A 42 -2.688 3.049 8.062 1.00 0.00 C ATOM 0 H THR A 42 -2.668 7.055 8.042 1.00 0.00 H new ATOM 0 HA THR A 42 -1.199 5.031 9.335 1.00 0.00 H new ATOM 0 HB THR A 42 -3.264 4.871 7.101 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.450 4.148 9.230 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.642 2.556 7.874 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.981 2.785 7.275 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.296 2.725 9.026 1.00 0.00 H new ATOM 667 N HIS A 43 0.416 4.029 7.713 1.00 0.00 N ATOM 668 CA HIS A 43 1.410 3.493 6.799 1.00 0.00 C ATOM 669 C HIS A 43 0.775 2.421 5.947 1.00 0.00 C ATOM 670 O HIS A 43 0.448 1.334 6.429 1.00 0.00 O ATOM 671 CB HIS A 43 2.616 2.925 7.559 1.00 0.00 C ATOM 672 CG HIS A 43 3.486 3.973 8.182 1.00 0.00 C ATOM 673 ND1 HIS A 43 4.829 3.792 8.424 1.00 0.00 N ATOM 674 CD2 HIS A 43 3.196 5.220 8.615 1.00 0.00 C ATOM 675 CE1 HIS A 43 5.324 4.879 8.981 1.00 0.00 C ATOM 676 NE2 HIS A 43 4.354 5.760 9.106 1.00 0.00 N ATOM 0 H HIS A 43 0.519 3.718 8.679 1.00 0.00 H new ATOM 0 HA HIS A 43 1.772 4.301 6.163 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.258 2.252 8.339 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.217 2.327 6.874 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.230 5.701 8.580 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.351 5.023 9.283 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.450 6.694 9.504 1.00 0.00 H new ATOM 685 N LEU A 44 0.589 2.715 4.680 1.00 0.00 N ATOM 686 CA LEU A 44 -0.089 1.797 3.781 1.00 0.00 C ATOM 687 C LEU A 44 0.783 0.620 3.400 1.00 0.00 C ATOM 688 O LEU A 44 0.289 -0.393 2.917 1.00 0.00 O ATOM 689 CB LEU A 44 -0.571 2.523 2.532 1.00 0.00 C ATOM 690 CG LEU A 44 -1.647 3.578 2.761 1.00 0.00 C ATOM 691 CD1 LEU A 44 -2.014 4.252 1.455 1.00 0.00 C ATOM 692 CD2 LEU A 44 -2.877 2.956 3.410 1.00 0.00 C ATOM 0 H LEU A 44 0.897 3.584 4.244 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.952 1.404 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.286 3.000 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.955 1.784 1.829 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.250 4.335 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.783 5.002 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.131 4.732 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.392 3.507 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.634 3.724 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.278 2.178 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.601 2.519 4.370 1.00 0.00 H new ATOM 704 N LYS A 45 2.077 0.739 3.611 1.00 0.00 N ATOM 705 CA LYS A 45 2.991 -0.323 3.289 1.00 0.00 C ATOM 706 C LYS A 45 2.681 -1.559 4.134 1.00 0.00 C ATOM 707 O LYS A 45 2.768 -2.691 3.659 1.00 0.00 O ATOM 708 CB LYS A 45 4.417 0.162 3.505 1.00 0.00 C ATOM 709 CG LYS A 45 5.491 -0.844 3.161 1.00 0.00 C ATOM 710 CD LYS A 45 6.017 -1.522 4.402 1.00 0.00 C ATOM 711 CE LYS A 45 7.231 -2.353 4.085 1.00 0.00 C ATOM 712 NZ LYS A 45 7.755 -3.048 5.288 1.00 0.00 N ATOM 0 H LYS A 45 2.517 1.570 4.007 1.00 0.00 H new ATOM 0 HA LYS A 45 2.879 -0.607 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.575 1.059 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.532 0.452 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.088 -1.591 2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.309 -0.344 2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.270 -0.772 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.241 -2.154 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.978 -3.089 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.009 -1.714 3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.351 -3.849 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.322 -2.384 5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.960 -3.399 5.860 1.00 0.00 H new ATOM 726 N LYS A 46 2.269 -1.332 5.380 1.00 0.00 N ATOM 727 CA LYS A 46 1.929 -2.418 6.291 1.00 0.00 C ATOM 728 C LYS A 46 0.649 -3.120 5.813 1.00 0.00 C ATOM 729 O LYS A 46 0.470 -4.321 6.010 1.00 0.00 O ATOM 730 CB LYS A 46 1.740 -1.870 7.720 1.00 0.00 C ATOM 731 CG LYS A 46 2.210 -2.811 8.841 1.00 0.00 C ATOM 732 CD LYS A 46 1.405 -4.107 8.906 1.00 0.00 C ATOM 733 CE LYS A 46 -0.037 -3.861 9.329 1.00 0.00 C ATOM 734 NZ LYS A 46 -0.828 -5.117 9.343 1.00 0.00 N ATOM 0 H LYS A 46 2.163 -0.400 5.781 1.00 0.00 H new ATOM 0 HA LYS A 46 2.743 -3.143 6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.280 -0.927 7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.684 -1.647 7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.263 -3.050 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.135 -2.294 9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.419 -4.592 7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.877 -4.793 9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.053 -3.410 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.499 -3.147 8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.842 -4.888 9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.617 -5.670 8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.579 -5.674 10.185 1.00 0.00 H new ATOM 748 N LEU A 47 -0.225 -2.368 5.139 1.00 0.00 N ATOM 749 CA LEU A 47 -1.473 -2.917 4.633 1.00 0.00 C ATOM 750 C LEU A 47 -1.148 -3.889 3.522 1.00 0.00 C ATOM 751 O LEU A 47 -1.637 -5.022 3.487 1.00 0.00 O ATOM 752 CB LEU A 47 -2.380 -1.773 4.101 1.00 0.00 C ATOM 753 CG LEU A 47 -3.816 -2.148 3.646 1.00 0.00 C ATOM 754 CD1 LEU A 47 -4.640 -0.894 3.410 1.00 0.00 C ATOM 755 CD2 LEU A 47 -3.809 -2.989 2.374 1.00 0.00 C ATOM 0 H LEU A 47 -0.086 -1.378 4.934 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.008 -3.432 5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.462 -1.018 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.872 -1.305 3.258 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.261 -2.740 4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.644 -1.173 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.699 -0.318 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.169 -0.289 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.834 -3.229 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.332 -2.428 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.256 -3.911 2.551 1.00 0.00 H new ATOM 767 N LYS A 48 -0.294 -3.447 2.617 1.00 0.00 N ATOM 768 CA LYS A 48 0.088 -4.241 1.476 1.00 0.00 C ATOM 769 C LYS A 48 0.799 -5.511 1.905 1.00 0.00 C ATOM 770 O LYS A 48 0.530 -6.577 1.374 1.00 0.00 O ATOM 771 CB LYS A 48 0.950 -3.433 0.506 1.00 0.00 C ATOM 772 CG LYS A 48 0.160 -2.493 -0.411 1.00 0.00 C ATOM 773 CD LYS A 48 -0.633 -1.463 0.370 1.00 0.00 C ATOM 774 CE LYS A 48 -1.249 -0.419 -0.536 1.00 0.00 C ATOM 775 NZ LYS A 48 -0.215 0.342 -1.276 1.00 0.00 N ATOM 0 H LYS A 48 0.150 -2.530 2.657 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.824 -4.529 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.666 -2.844 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.526 -4.123 -0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.848 -1.984 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.519 -3.079 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.420 -1.963 0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.019 -0.976 1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.922 -0.903 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.852 0.268 0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.517 1.332 -1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.684 0.305 -0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.085 -0.076 -2.219 1.00 0.00 H new ATOM 789 N GLU A 49 1.729 -5.407 2.858 1.00 0.00 N ATOM 790 CA GLU A 49 2.409 -6.590 3.385 1.00 0.00 C ATOM 791 C GLU A 49 1.416 -7.620 3.899 1.00 0.00 C ATOM 792 O GLU A 49 1.573 -8.817 3.659 1.00 0.00 O ATOM 793 CB GLU A 49 3.387 -6.215 4.487 1.00 0.00 C ATOM 794 CG GLU A 49 4.509 -5.321 4.015 1.00 0.00 C ATOM 795 CD GLU A 49 5.612 -5.203 5.028 1.00 0.00 C ATOM 796 OE1 GLU A 49 5.476 -4.406 5.981 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.637 -5.887 4.869 1.00 0.00 O ATOM 0 H GLU A 49 2.025 -4.525 3.276 1.00 0.00 H new ATOM 0 HA GLU A 49 2.966 -7.034 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.845 -5.713 5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.811 -7.125 4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.916 -5.714 3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.112 -4.329 3.796 1.00 0.00 H new ATOM 804 N SER A 50 0.383 -7.160 4.604 1.00 0.00 N ATOM 805 CA SER A 50 -0.652 -8.054 5.105 1.00 0.00 C ATOM 806 C SER A 50 -1.357 -8.753 3.933 1.00 0.00 C ATOM 807 O SER A 50 -1.716 -9.929 4.008 1.00 0.00 O ATOM 808 CB SER A 50 -1.649 -7.275 5.957 1.00 0.00 C ATOM 809 OG SER A 50 -0.980 -6.593 7.010 1.00 0.00 O ATOM 0 H SER A 50 0.244 -6.177 4.839 1.00 0.00 H new ATOM 0 HA SER A 50 -0.193 -8.819 5.732 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.186 -6.558 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.392 -7.956 6.372 1.00 0.00 H new ATOM 0 HG SER A 50 -0.506 -5.816 6.647 1.00 0.00 H new ATOM 815 N TYR A 51 -1.529 -8.024 2.840 1.00 0.00 N ATOM 816 CA TYR A 51 -2.115 -8.571 1.625 1.00 0.00 C ATOM 817 C TYR A 51 -1.153 -9.558 0.966 1.00 0.00 C ATOM 818 O TYR A 51 -1.568 -10.585 0.448 1.00 0.00 O ATOM 819 CB TYR A 51 -2.491 -7.419 0.656 1.00 0.00 C ATOM 820 CG TYR A 51 -2.162 -7.676 -0.811 1.00 0.00 C ATOM 821 CD1 TYR A 51 -3.043 -8.360 -1.641 1.00 0.00 C ATOM 822 CD2 TYR A 51 -0.960 -7.240 -1.353 1.00 0.00 C ATOM 823 CE1 TYR A 51 -2.729 -8.599 -2.968 1.00 0.00 C ATOM 824 CE2 TYR A 51 -0.641 -7.476 -2.671 1.00 0.00 C ATOM 825 CZ TYR A 51 -1.525 -8.155 -3.474 1.00 0.00 C ATOM 826 OH TYR A 51 -1.196 -8.398 -4.787 1.00 0.00 O ATOM 0 H TYR A 51 -1.267 -7.041 2.770 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.025 -9.115 1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.560 -7.225 0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.975 -6.513 0.975 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.985 -8.710 -1.245 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.261 -6.705 -0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.423 -9.130 -3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.300 -7.129 -3.072 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.864 -7.986 -5.373 1.00 0.00 H new ATOM 836 N CYS A 52 0.134 -9.273 1.009 1.00 0.00 N ATOM 837 CA CYS A 52 1.109 -10.136 0.376 1.00 0.00 C ATOM 838 C CYS A 52 1.226 -11.456 1.120 1.00 0.00 C ATOM 839 O CYS A 52 1.188 -12.519 0.519 1.00 0.00 O ATOM 840 CB CYS A 52 2.474 -9.449 0.308 1.00 0.00 C ATOM 841 SG CYS A 52 2.447 -7.833 -0.493 1.00 0.00 S ATOM 0 H CYS A 52 0.526 -8.454 1.474 1.00 0.00 H new ATOM 0 HA CYS A 52 0.768 -10.339 -0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.862 -9.334 1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.168 -10.096 -0.228 1.00 0.00 H new ATOM 0 HG CYS A 52 1.520 -7.097 0.045 1.00 0.00 H new ATOM 847 N GLN A 53 1.336 -11.389 2.437 1.00 0.00 N ATOM 848 CA GLN A 53 1.485 -12.591 3.249 1.00 0.00 C ATOM 849 C GLN A 53 0.219 -13.436 3.242 1.00 0.00 C ATOM 850 O GLN A 53 0.284 -14.660 3.254 1.00 0.00 O ATOM 851 CB GLN A 53 1.905 -12.245 4.683 1.00 0.00 C ATOM 852 CG GLN A 53 0.971 -11.284 5.389 1.00 0.00 C ATOM 853 CD GLN A 53 1.437 -10.940 6.782 1.00 0.00 C ATOM 854 OE1 GLN A 53 1.049 -11.585 7.759 1.00 0.00 O ATOM 855 NE2 GLN A 53 2.283 -9.937 6.889 1.00 0.00 N ATOM 0 H GLN A 53 1.325 -10.518 2.968 1.00 0.00 H new ATOM 0 HA GLN A 53 2.280 -13.187 2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.968 -13.166 5.263 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.905 -11.813 4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.885 -10.369 4.802 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.025 -11.724 5.441 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.579 -9.429 6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.642 -9.668 7.805 1.00 0.00 H new ATOM 864 N ARG A 54 -0.941 -12.789 3.210 1.00 0.00 N ATOM 865 CA ARG A 54 -2.207 -13.512 3.187 1.00 0.00 C ATOM 866 C ARG A 54 -2.398 -14.210 1.851 1.00 0.00 C ATOM 867 O ARG A 54 -2.905 -15.325 1.780 1.00 0.00 O ATOM 868 CB ARG A 54 -3.377 -12.570 3.445 1.00 0.00 C ATOM 869 CG ARG A 54 -4.699 -13.291 3.568 1.00 0.00 C ATOM 870 CD ARG A 54 -5.845 -12.332 3.782 1.00 0.00 C ATOM 871 NE ARG A 54 -6.378 -11.820 2.520 1.00 0.00 N ATOM 872 CZ ARG A 54 -7.322 -10.884 2.442 1.00 0.00 C ATOM 873 NH1 ARG A 54 -7.774 -10.301 3.549 1.00 0.00 N ATOM 874 NH2 ARG A 54 -7.811 -10.524 1.262 1.00 0.00 N ATOM 0 H ARG A 54 -1.031 -11.773 3.199 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.178 -14.259 3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.189 -12.008 4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.439 -11.845 2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.879 -13.876 2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.653 -13.994 4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.640 -12.835 4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.509 -11.498 4.398 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.006 -12.201 1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.397 -10.571 4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.497 -9.584 3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.464 -10.965 0.410 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.534 -9.807 1.207 1.00 0.00 H new ATOM 888 N GLN A 55 -1.984 -13.551 0.789 1.00 0.00 N ATOM 889 CA GLN A 55 -2.101 -14.106 -0.557 1.00 0.00 C ATOM 890 C GLN A 55 -0.906 -15.016 -0.852 1.00 0.00 C ATOM 891 O GLN A 55 -0.819 -15.661 -1.898 1.00 0.00 O ATOM 892 CB GLN A 55 -2.193 -12.971 -1.582 1.00 0.00 C ATOM 893 CG GLN A 55 -3.603 -12.381 -1.764 1.00 0.00 C ATOM 894 CD GLN A 55 -4.347 -12.091 -0.459 1.00 0.00 C ATOM 895 OE1 GLN A 55 -5.045 -12.944 0.085 1.00 0.00 O ATOM 896 NE2 GLN A 55 -4.220 -10.882 0.033 1.00 0.00 N ATOM 0 H GLN A 55 -1.560 -12.624 0.825 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.010 -14.704 -0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.516 -12.172 -1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.841 -13.340 -2.545 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.524 -11.456 -2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.198 -13.073 -2.360 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.633 -10.197 -0.443 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.708 -10.627 0.891 1.00 0.00 H new ATOM 905 N GLY A 56 0.013 -15.035 0.091 1.00 0.00 N ATOM 906 CA GLY A 56 1.189 -15.870 0.009 1.00 0.00 C ATOM 907 C GLY A 56 2.118 -15.467 -1.118 1.00 0.00 C ATOM 908 O GLY A 56 2.709 -16.317 -1.783 1.00 0.00 O ATOM 0 H GLY A 56 -0.037 -14.469 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.730 -15.822 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.884 -16.907 -0.131 1.00 0.00 H new ATOM 912 N VAL A 57 2.241 -14.177 -1.351 1.00 0.00 N ATOM 913 CA VAL A 57 3.135 -13.678 -2.375 1.00 0.00 C ATOM 914 C VAL A 57 4.255 -12.862 -1.772 1.00 0.00 C ATOM 915 O VAL A 57 4.038 -12.072 -0.849 1.00 0.00 O ATOM 916 CB VAL A 57 2.420 -12.836 -3.460 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.764 -13.731 -4.489 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.406 -11.890 -2.842 1.00 0.00 C ATOM 0 H VAL A 57 1.732 -13.453 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 57 3.541 -14.565 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 57 3.174 -12.232 -3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.268 -13.118 -5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.522 -14.351 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.029 -14.370 -4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.921 -11.313 -3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.656 -12.465 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.912 -11.212 -2.154 1.00 0.00 H new ATOM 928 N PRO A 58 5.472 -13.073 -2.260 1.00 0.00 N ATOM 929 CA PRO A 58 6.646 -12.332 -1.816 1.00 0.00 C ATOM 930 C PRO A 58 6.515 -10.837 -2.089 1.00 0.00 C ATOM 931 O PRO A 58 6.194 -10.413 -3.205 1.00 0.00 O ATOM 932 CB PRO A 58 7.783 -12.919 -2.651 1.00 0.00 C ATOM 933 CG PRO A 58 7.106 -13.598 -3.797 1.00 0.00 C ATOM 934 CD PRO A 58 5.802 -14.075 -3.277 1.00 0.00 C ATOM 0 HA PRO A 58 6.800 -12.423 -0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.462 -12.140 -2.998 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.378 -13.624 -2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.965 -12.910 -4.630 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.706 -14.429 -4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.046 -14.120 -4.061 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.878 -15.075 -2.850 1.00 0.00 H new ATOM 942 N MET A 59 6.794 -10.039 -1.076 1.00 0.00 N ATOM 943 CA MET A 59 6.692 -8.588 -1.160 1.00 0.00 C ATOM 944 C MET A 59 7.695 -8.008 -2.158 1.00 0.00 C ATOM 945 O MET A 59 7.506 -6.922 -2.687 1.00 0.00 O ATOM 946 CB MET A 59 6.895 -7.951 0.220 1.00 0.00 C ATOM 947 CG MET A 59 8.234 -8.274 0.866 1.00 0.00 C ATOM 948 SD MET A 59 8.358 -9.985 1.425 1.00 0.00 S ATOM 949 CE MET A 59 9.970 -9.958 2.195 1.00 0.00 C ATOM 0 H MET A 59 7.100 -10.378 -0.164 1.00 0.00 H new ATOM 0 HA MET A 59 5.689 -8.353 -1.516 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.802 -6.869 0.125 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.095 -8.283 0.882 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.033 -8.073 0.152 1.00 0.00 H new ATOM 0 HG3 MET A 59 8.391 -7.609 1.715 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.199 -10.946 2.594 1.00 0.00 H new ATOM 0 HE2 MET A 59 10.722 -9.682 1.456 1.00 0.00 H new ATOM 0 HE3 MET A 59 9.974 -9.230 3.006 1.00 0.00 H new ATOM 959 N ASN A 60 8.772 -8.727 -2.405 1.00 0.00 N ATOM 960 CA ASN A 60 9.789 -8.270 -3.347 1.00 0.00 C ATOM 961 C ASN A 60 9.424 -8.615 -4.792 1.00 0.00 C ATOM 962 O ASN A 60 10.087 -8.176 -5.729 1.00 0.00 O ATOM 963 CB ASN A 60 11.156 -8.870 -3.003 1.00 0.00 C ATOM 964 CG ASN A 60 11.181 -10.386 -3.105 1.00 0.00 C ATOM 965 OD1 ASN A 60 11.401 -10.940 -4.177 1.00 0.00 O ATOM 966 ND2 ASN A 60 10.989 -11.059 -1.986 1.00 0.00 N ATOM 0 H ASN A 60 8.970 -9.628 -1.971 1.00 0.00 H new ATOM 0 HA ASN A 60 9.839 -7.185 -3.260 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.908 -8.454 -3.673 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.432 -8.575 -1.991 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.021 -12.078 -1.992 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.809 -10.560 -1.115 1.00 0.00 H new ATOM 973 N SER A 61 8.381 -9.408 -4.980 1.00 0.00 N ATOM 974 CA SER A 61 7.980 -9.818 -6.316 1.00 0.00 C ATOM 975 C SER A 61 6.743 -9.052 -6.790 1.00 0.00 C ATOM 976 O SER A 61 6.302 -9.192 -7.924 1.00 0.00 O ATOM 977 CB SER A 61 7.710 -11.318 -6.326 1.00 0.00 C ATOM 978 OG SER A 61 7.767 -11.851 -7.633 1.00 0.00 O ATOM 0 H SER A 61 7.800 -9.779 -4.228 1.00 0.00 H new ATOM 0 HA SER A 61 8.792 -9.587 -7.006 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.441 -11.823 -5.695 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.728 -11.514 -5.896 1.00 0.00 H new ATOM 0 HG SER A 61 8.282 -11.249 -8.210 1.00 0.00 H new ATOM 984 N LEU A 62 6.181 -8.258 -5.926 1.00 0.00 N ATOM 985 CA LEU A 62 5.022 -7.489 -6.279 1.00 0.00 C ATOM 986 C LEU A 62 5.265 -5.993 -6.002 1.00 0.00 C ATOM 987 O LEU A 62 6.173 -5.631 -5.257 1.00 0.00 O ATOM 988 CB LEU A 62 3.767 -8.078 -5.553 1.00 0.00 C ATOM 989 CG LEU A 62 3.301 -7.466 -4.222 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.438 -7.254 -3.265 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.520 -6.202 -4.459 1.00 0.00 C ATOM 0 H LEU A 62 6.507 -8.125 -4.969 1.00 0.00 H new ATOM 0 HA LEU A 62 4.825 -7.560 -7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.930 -8.019 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.960 -9.136 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 62 2.634 -8.185 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.059 -6.820 -2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.915 -8.210 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.167 -6.578 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.201 -5.787 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.148 -5.478 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.644 -6.424 -5.069 1.00 0.00 H new ATOM 1003 N ARG A 63 4.481 -5.134 -6.617 1.00 0.00 N ATOM 1004 CA ARG A 63 4.637 -3.700 -6.421 1.00 0.00 C ATOM 1005 C ARG A 63 3.298 -2.997 -6.260 1.00 0.00 C ATOM 1006 O ARG A 63 2.312 -3.330 -6.923 1.00 0.00 O ATOM 1007 CB ARG A 63 5.428 -3.072 -7.565 1.00 0.00 C ATOM 1008 CG ARG A 63 4.786 -3.228 -8.930 1.00 0.00 C ATOM 1009 CD ARG A 63 5.596 -2.509 -9.978 1.00 0.00 C ATOM 1010 NE ARG A 63 5.032 -2.649 -11.323 1.00 0.00 N ATOM 1011 CZ ARG A 63 5.668 -2.285 -12.440 1.00 0.00 C ATOM 1012 NH1 ARG A 63 6.886 -1.767 -12.368 1.00 0.00 N ATOM 1013 NH2 ARG A 63 5.083 -2.440 -13.623 1.00 0.00 N ATOM 0 H ARG A 63 3.730 -5.397 -7.256 1.00 0.00 H new ATOM 0 HA ARG A 63 5.196 -3.567 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.561 -2.010 -7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.422 -3.518 -7.591 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.708 -4.285 -9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.771 -2.830 -8.909 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.656 -1.451 -9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.615 -2.897 -9.973 1.00 0.00 H new ATOM 0 HE ARG A 63 4.098 -3.048 -11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.336 -1.647 -11.461 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.373 -1.489 -13.220 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.146 -2.838 -13.680 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.571 -2.161 -14.474 1.00 0.00 H new ATOM 1027 N PHE A 64 3.267 -2.028 -5.362 1.00 0.00 N ATOM 1028 CA PHE A 64 2.072 -1.241 -5.096 1.00 0.00 C ATOM 1029 C PHE A 64 2.317 0.209 -5.430 1.00 0.00 C ATOM 1030 O PHE A 64 3.144 0.865 -4.802 1.00 0.00 O ATOM 1031 CB PHE A 64 1.664 -1.354 -3.621 1.00 0.00 C ATOM 1032 CG PHE A 64 2.646 -2.107 -2.766 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.539 -3.472 -2.634 1.00 0.00 C ATOM 1034 CD2 PHE A 64 3.669 -1.449 -2.100 1.00 0.00 C ATOM 1035 CE1 PHE A 64 3.425 -4.184 -1.860 1.00 0.00 C ATOM 1036 CE2 PHE A 64 4.565 -2.154 -1.317 1.00 0.00 C ATOM 1037 CZ PHE A 64 4.444 -3.526 -1.199 1.00 0.00 C ATOM 0 H PHE A 64 4.072 -1.763 -4.794 1.00 0.00 H new ATOM 0 HA PHE A 64 1.268 -1.630 -5.720 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.538 -0.351 -3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.694 -1.847 -3.561 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.745 -3.994 -3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.767 -0.378 -2.193 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.324 -5.255 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.357 -1.634 -0.799 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.144 -4.082 -0.592 1.00 0.00 H new ATOM 1047 N LEU A 65 1.609 0.719 -6.406 1.00 0.00 N ATOM 1048 CA LEU A 65 1.769 2.097 -6.796 1.00 0.00 C ATOM 1049 C LEU A 65 0.454 2.861 -6.782 1.00 0.00 C ATOM 1050 O LEU A 65 -0.634 2.284 -6.846 1.00 0.00 O ATOM 1051 CB LEU A 65 2.487 2.211 -8.158 1.00 0.00 C ATOM 1052 CG LEU A 65 2.097 1.187 -9.236 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.670 1.390 -9.700 1.00 0.00 C ATOM 1054 CD2 LEU A 65 3.055 1.265 -10.411 1.00 0.00 C ATOM 0 H LEU A 65 0.916 0.200 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 65 2.404 2.570 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.304 3.209 -8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.560 2.129 -7.984 1.00 0.00 H new ATOM 0 HG LEU A 65 2.164 0.193 -8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.426 0.650 -10.462 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.007 1.276 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.562 2.391 -10.119 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.765 0.534 -11.166 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.021 2.265 -10.843 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.068 1.052 -10.069 1.00 0.00 H new ATOM 1066 N PHE A 66 0.567 4.161 -6.652 1.00 0.00 N ATOM 1067 CA PHE A 66 -0.561 5.055 -6.651 1.00 0.00 C ATOM 1068 C PHE A 66 -0.151 6.339 -7.322 1.00 0.00 C ATOM 1069 O PHE A 66 0.842 6.938 -6.950 1.00 0.00 O ATOM 1070 CB PHE A 66 -1.028 5.332 -5.224 1.00 0.00 C ATOM 1071 CG PHE A 66 -2.118 6.350 -5.140 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -3.419 6.007 -5.434 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -1.837 7.653 -4.773 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -4.424 6.942 -5.364 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -2.837 8.593 -4.702 1.00 0.00 C ATOM 1076 CZ PHE A 66 -4.135 8.237 -4.999 1.00 0.00 C ATOM 0 H PHE A 66 1.464 4.634 -6.542 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.390 4.598 -7.191 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.376 4.401 -4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.178 5.672 -4.632 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.652 4.993 -5.723 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.821 7.935 -4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.441 6.660 -5.595 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.606 9.608 -4.414 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.924 8.973 -4.945 1.00 0.00 H new ATOM 1086 N GLU A 67 -0.897 6.747 -8.323 1.00 0.00 N ATOM 1087 CA GLU A 67 -0.579 7.939 -9.108 1.00 0.00 C ATOM 1088 C GLU A 67 0.781 7.780 -9.794 1.00 0.00 C ATOM 1089 O GLU A 67 1.452 8.761 -10.124 1.00 0.00 O ATOM 1090 CB GLU A 67 -0.582 9.197 -8.232 1.00 0.00 C ATOM 1091 CG GLU A 67 -1.956 9.601 -7.740 1.00 0.00 C ATOM 1092 CD GLU A 67 -2.907 9.895 -8.870 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -2.853 11.014 -9.413 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -3.714 9.009 -9.220 1.00 0.00 O ATOM 0 H GLU A 67 -1.745 6.267 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.350 8.052 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.066 9.030 -7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.153 10.023 -8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.367 8.803 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.867 10.482 -7.105 1.00 0.00 H new ATOM 1101 N GLY A 68 1.179 6.534 -10.014 1.00 0.00 N ATOM 1102 CA GLY A 68 2.430 6.247 -10.685 1.00 0.00 C ATOM 1103 C GLY A 68 3.613 6.195 -9.736 1.00 0.00 C ATOM 1104 O GLY A 68 4.760 6.087 -10.166 1.00 0.00 O ATOM 0 H GLY A 68 0.649 5.708 -9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.346 5.293 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.612 7.009 -11.443 1.00 0.00 H new ATOM 1108 N GLN A 69 3.349 6.252 -8.440 1.00 0.00 N ATOM 1109 CA GLN A 69 4.414 6.245 -7.458 1.00 0.00 C ATOM 1110 C GLN A 69 4.273 5.059 -6.528 1.00 0.00 C ATOM 1111 O GLN A 69 3.171 4.726 -6.088 1.00 0.00 O ATOM 1112 CB GLN A 69 4.412 7.558 -6.676 1.00 0.00 C ATOM 1113 CG GLN A 69 3.292 7.690 -5.669 1.00 0.00 C ATOM 1114 CD GLN A 69 3.004 9.135 -5.323 1.00 0.00 C ATOM 1115 OE1 GLN A 69 3.904 9.973 -5.299 1.00 0.00 O ATOM 1116 NE2 GLN A 69 1.744 9.446 -5.095 1.00 0.00 N ATOM 0 H GLN A 69 2.409 6.303 -8.048 1.00 0.00 H new ATOM 0 HA GLN A 69 5.370 6.152 -7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.364 7.657 -6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.347 8.386 -7.382 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.390 7.227 -6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.555 7.146 -4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.027 8.722 -5.124 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.486 10.411 -4.889 1.00 0.00 H new ATOM 1125 N ARG A 70 5.375 4.406 -6.237 1.00 0.00 N ATOM 1126 CA ARG A 70 5.352 3.244 -5.371 1.00 0.00 C ATOM 1127 C ARG A 70 5.054 3.651 -3.934 1.00 0.00 C ATOM 1128 O ARG A 70 5.511 4.696 -3.453 1.00 0.00 O ATOM 1129 CB ARG A 70 6.663 2.425 -5.453 1.00 0.00 C ATOM 1130 CG ARG A 70 7.892 3.071 -4.804 1.00 0.00 C ATOM 1131 CD ARG A 70 8.445 4.227 -5.624 1.00 0.00 C ATOM 1132 NE ARG A 70 9.672 4.767 -5.038 1.00 0.00 N ATOM 1133 CZ ARG A 70 10.476 5.648 -5.641 1.00 0.00 C ATOM 1134 NH1 ARG A 70 10.187 6.096 -6.859 1.00 0.00 N ATOM 1135 NH2 ARG A 70 11.568 6.079 -5.024 1.00 0.00 N ATOM 0 H ARG A 70 6.300 4.658 -6.586 1.00 0.00 H new ATOM 0 HA ARG A 70 4.550 2.595 -5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.494 1.456 -4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.887 2.236 -6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.627 3.430 -3.809 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.669 2.317 -4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.645 3.889 -6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.696 5.016 -5.692 1.00 0.00 H new ATOM 0 HE ARG A 70 9.932 4.449 -4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.348 5.767 -7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.804 6.768 -7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.794 5.738 -4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.182 6.751 -5.484 1.00 0.00 H new ATOM 1149 N ILE A 71 4.254 2.864 -3.259 1.00 0.00 N ATOM 1150 CA ILE A 71 3.907 3.158 -1.891 1.00 0.00 C ATOM 1151 C ILE A 71 5.007 2.693 -0.955 1.00 0.00 C ATOM 1152 O ILE A 71 5.112 1.511 -0.632 1.00 0.00 O ATOM 1153 CB ILE A 71 2.570 2.506 -1.483 1.00 0.00 C ATOM 1154 CG1 ILE A 71 1.549 2.604 -2.624 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.023 3.180 -0.233 1.00 0.00 C ATOM 1156 CD1 ILE A 71 1.235 4.016 -3.053 1.00 0.00 C ATOM 0 H ILE A 71 3.831 2.015 -3.634 1.00 0.00 H new ATOM 0 HA ILE A 71 3.792 4.239 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 71 2.749 1.452 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.927 2.051 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.625 2.117 -2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.079 2.714 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.739 3.071 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.859 4.239 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.506 3.997 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.825 4.570 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.147 4.503 -3.398 1.00 0.00 H new ATOM 1168 N ALA A 72 5.836 3.632 -0.544 1.00 0.00 N ATOM 1169 CA ALA A 72 6.944 3.368 0.351 1.00 0.00 C ATOM 1170 C ALA A 72 6.468 2.971 1.736 1.00 0.00 C ATOM 1171 O ALA A 72 5.299 3.159 2.095 1.00 0.00 O ATOM 1172 CB ALA A 72 7.814 4.604 0.460 1.00 0.00 C ATOM 0 H ALA A 72 5.758 4.609 -0.825 1.00 0.00 H new ATOM 0 HA ALA A 72 7.514 2.536 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.647 4.404 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.199 4.866 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.222 5.432 0.850 1.00 0.00 H new ATOM 1178 N ASP A 73 7.395 2.461 2.530 1.00 0.00 N ATOM 1179 CA ASP A 73 7.130 2.060 3.910 1.00 0.00 C ATOM 1180 C ASP A 73 6.806 3.276 4.755 1.00 0.00 C ATOM 1181 O ASP A 73 6.218 3.174 5.827 1.00 0.00 O ATOM 1182 CB ASP A 73 8.337 1.321 4.500 1.00 0.00 C ATOM 1183 CG ASP A 73 9.537 2.225 4.710 1.00 0.00 C ATOM 1184 OD1 ASP A 73 10.056 2.777 3.718 1.00 0.00 O ATOM 1185 OD2 ASP A 73 9.979 2.375 5.861 1.00 0.00 O ATOM 0 H ASP A 73 8.360 2.311 2.237 1.00 0.00 H new ATOM 0 HA ASP A 73 6.274 1.385 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.053 0.875 5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.616 0.503 3.836 1.00 0.00 H new ATOM 1190 N ASN A 74 7.176 4.433 4.256 1.00 0.00 N ATOM 1191 CA ASN A 74 6.982 5.679 4.956 1.00 0.00 C ATOM 1192 C ASN A 74 5.881 6.493 4.284 1.00 0.00 C ATOM 1193 O ASN A 74 5.613 7.634 4.657 1.00 0.00 O ATOM 1194 CB ASN A 74 8.293 6.478 4.962 1.00 0.00 C ATOM 1195 CG ASN A 74 8.878 6.651 3.566 1.00 0.00 C ATOM 1196 OD1 ASN A 74 8.551 7.597 2.853 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.739 5.727 3.164 1.00 0.00 N ATOM 0 H ASN A 74 7.624 4.535 3.345 1.00 0.00 H new ATOM 0 HA ASN A 74 6.685 5.467 5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.114 7.459 5.402 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.020 5.972 5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.154 5.787 2.234 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.986 4.956 3.784 1.00 0.00 H new ATOM 1204 N HIS A 75 5.222 5.899 3.289 1.00 0.00 N ATOM 1205 CA HIS A 75 4.180 6.601 2.565 1.00 0.00 C ATOM 1206 C HIS A 75 2.817 6.387 3.195 1.00 0.00 C ATOM 1207 O HIS A 75 2.471 5.282 3.627 1.00 0.00 O ATOM 1208 CB HIS A 75 4.155 6.199 1.091 1.00 0.00 C ATOM 1209 CG HIS A 75 4.939 7.120 0.209 1.00 0.00 C ATOM 1210 ND1 HIS A 75 5.145 6.887 -1.138 1.00 0.00 N ATOM 1211 CD2 HIS A 75 5.545 8.306 0.476 1.00 0.00 C ATOM 1212 CE1 HIS A 75 5.835 7.884 -1.649 1.00 0.00 C ATOM 1213 NE2 HIS A 75 6.090 8.754 -0.694 1.00 0.00 N ATOM 0 H HIS A 75 5.393 4.944 2.974 1.00 0.00 H new ATOM 0 HA HIS A 75 4.415 7.664 2.625 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.551 5.188 0.991 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.121 6.172 0.747 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.588 8.802 1.434 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.141 7.974 -2.681 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.611 9.623 -0.809 1.00 0.00 H new ATOM 1222 N THR A 76 2.038 7.450 3.240 1.00 0.00 N ATOM 1223 CA THR A 76 0.719 7.439 3.841 1.00 0.00 C ATOM 1224 C THR A 76 -0.260 8.149 2.912 1.00 0.00 C ATOM 1225 O THR A 76 0.170 8.834 1.974 1.00 0.00 O ATOM 1226 CB THR A 76 0.753 8.201 5.185 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.046 9.576 4.943 1.00 0.00 O ATOM 1228 CG2 THR A 76 1.823 7.646 6.088 1.00 0.00 C ATOM 0 H THR A 76 2.306 8.356 2.856 1.00 0.00 H new ATOM 0 HA THR A 76 0.409 6.407 4.006 1.00 0.00 H new ATOM 0 HB THR A 76 -0.220 8.090 5.664 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.826 9.843 5.473 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.828 8.198 7.028 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.622 6.593 6.286 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.795 7.745 5.604 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.583 8.003 3.134 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.584 8.706 2.342 1.00 0.00 C ATOM 1238 C PRO A 77 -2.391 10.221 2.393 1.00 0.00 C ATOM 1239 O PRO A 77 -2.620 10.924 1.407 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.923 8.313 2.991 1.00 0.00 C ATOM 1241 CG PRO A 77 -3.563 7.715 4.305 1.00 0.00 C ATOM 1242 CD PRO A 77 -2.207 7.112 4.126 1.00 0.00 C ATOM 0 HA PRO A 77 -2.524 8.438 1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.568 9.182 3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.467 7.601 2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.553 8.473 5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.290 6.959 4.602 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.647 7.092 5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.265 6.084 3.767 1.00 0.00 H new ATOM 1250 N LYS A 78 -1.941 10.724 3.539 1.00 0.00 N ATOM 1251 CA LYS A 78 -1.717 12.151 3.704 1.00 0.00 C ATOM 1252 C LYS A 78 -0.445 12.570 2.987 1.00 0.00 C ATOM 1253 O LYS A 78 -0.343 13.673 2.460 1.00 0.00 O ATOM 1254 CB LYS A 78 -1.653 12.520 5.203 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.370 12.103 5.926 1.00 0.00 C ATOM 1256 CD LYS A 78 0.687 13.197 5.898 1.00 0.00 C ATOM 1257 CE LYS A 78 1.955 12.763 6.611 1.00 0.00 C ATOM 1258 NZ LYS A 78 3.026 13.784 6.516 1.00 0.00 N ATOM 0 H LYS A 78 -1.726 10.164 4.364 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.554 12.690 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.770 13.599 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.502 12.060 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.603 11.852 6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.030 11.202 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.919 13.454 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.293 14.097 6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.732 12.569 7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.309 11.826 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.855 13.469 7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.294 13.915 5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.681 14.686 6.903 1.00 0.00 H new ATOM 1272 N GLU A 79 0.524 11.661 2.943 1.00 0.00 N ATOM 1273 CA GLU A 79 1.807 11.940 2.333 1.00 0.00 C ATOM 1274 C GLU A 79 1.655 11.997 0.832 1.00 0.00 C ATOM 1275 O GLU A 79 2.253 12.825 0.153 1.00 0.00 O ATOM 1276 CB GLU A 79 2.801 10.844 2.690 1.00 0.00 C ATOM 1277 CG GLU A 79 4.226 11.330 2.825 1.00 0.00 C ATOM 1278 CD GLU A 79 4.416 12.217 4.034 1.00 0.00 C ATOM 1279 OE1 GLU A 79 4.057 13.410 3.973 1.00 0.00 O ATOM 1280 OE2 GLU A 79 4.908 11.725 5.059 1.00 0.00 O ATOM 0 H GLU A 79 0.438 10.720 3.327 1.00 0.00 H new ATOM 0 HA GLU A 79 2.172 12.898 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.495 10.381 3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.763 10.069 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.895 10.472 2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.507 11.879 1.926 1.00 0.00 H new ATOM 1287 N LEU A 80 0.844 11.104 0.321 1.00 0.00 N ATOM 1288 CA LEU A 80 0.601 10.993 -1.095 1.00 0.00 C ATOM 1289 C LEU A 80 -0.481 11.957 -1.558 1.00 0.00 C ATOM 1290 O LEU A 80 -0.674 12.161 -2.758 1.00 0.00 O ATOM 1291 CB LEU A 80 0.224 9.557 -1.408 1.00 0.00 C ATOM 1292 CG LEU A 80 1.314 8.547 -1.068 1.00 0.00 C ATOM 1293 CD1 LEU A 80 0.789 7.138 -1.115 1.00 0.00 C ATOM 1294 CD2 LEU A 80 2.464 8.706 -2.018 1.00 0.00 C ATOM 0 H LEU A 80 0.329 10.427 0.883 1.00 0.00 H new ATOM 0 HA LEU A 80 1.508 11.263 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.681 9.300 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.015 9.477 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 80 1.655 8.740 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.591 6.442 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.022 7.028 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.417 6.922 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.242 7.983 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.119 8.536 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.868 9.715 -1.935 1.00 0.00 H new ATOM 1306 N GLY A 81 -1.196 12.547 -0.610 1.00 0.00 N ATOM 1307 CA GLY A 81 -2.239 13.499 -0.951 1.00 0.00 C ATOM 1308 C GLY A 81 -3.371 12.851 -1.711 1.00 0.00 C ATOM 1309 O GLY A 81 -3.810 13.351 -2.749 1.00 0.00 O ATOM 0 H GLY A 81 -1.074 12.385 0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.628 13.953 -0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.813 14.303 -1.551 1.00 0.00 H new ATOM 1313 N MET A 82 -3.838 11.727 -1.211 1.00 0.00 N ATOM 1314 CA MET A 82 -4.907 10.989 -1.857 1.00 0.00 C ATOM 1315 C MET A 82 -6.244 11.244 -1.166 1.00 0.00 C ATOM 1316 O MET A 82 -6.298 11.847 -0.088 1.00 0.00 O ATOM 1317 CB MET A 82 -4.594 9.491 -1.873 1.00 0.00 C ATOM 1318 CG MET A 82 -4.299 8.919 -0.511 1.00 0.00 C ATOM 1319 SD MET A 82 -4.297 7.119 -0.482 1.00 0.00 S ATOM 1320 CE MET A 82 -2.639 6.772 -1.033 1.00 0.00 C ATOM 0 H MET A 82 -3.492 11.300 -0.352 1.00 0.00 H new ATOM 0 HA MET A 82 -4.983 11.340 -2.886 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.440 8.957 -2.306 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.738 9.315 -2.524 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.328 9.282 -0.174 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.040 9.286 0.198 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.656 5.942 -1.739 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.226 7.655 -1.521 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.019 6.507 -0.177 1.00 0.00 H new ATOM 1330 N GLU A 83 -7.317 10.773 -1.775 1.00 0.00 N ATOM 1331 CA GLU A 83 -8.656 10.969 -1.242 1.00 0.00 C ATOM 1332 C GLU A 83 -9.160 9.714 -0.563 1.00 0.00 C ATOM 1333 O GLU A 83 -8.470 8.693 -0.512 1.00 0.00 O ATOM 1334 CB GLU A 83 -9.619 11.364 -2.358 1.00 0.00 C ATOM 1335 CG GLU A 83 -9.322 12.713 -2.974 1.00 0.00 C ATOM 1336 CD GLU A 83 -9.443 13.838 -1.977 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -10.581 14.241 -1.668 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -8.400 14.328 -1.495 1.00 0.00 O ATOM 0 H GLU A 83 -7.287 10.247 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.607 11.770 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.587 10.604 -3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.635 11.372 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.314 12.706 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.007 12.890 -3.803 1.00 0.00 H new ATOM 1345 N GLU A 84 -10.368 9.782 -0.041 1.00 0.00 N ATOM 1346 CA GLU A 84 -10.970 8.651 0.606 1.00 0.00 C ATOM 1347 C GLU A 84 -11.722 7.785 -0.393 1.00 0.00 C ATOM 1348 O GLU A 84 -12.278 8.283 -1.374 1.00 0.00 O ATOM 1349 CB GLU A 84 -11.867 9.082 1.779 1.00 0.00 C ATOM 1350 CG GLU A 84 -12.491 10.474 1.652 1.00 0.00 C ATOM 1351 CD GLU A 84 -13.423 10.614 0.475 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.585 10.173 0.576 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -13.006 11.189 -0.543 1.00 0.00 O ATOM 0 H GLU A 84 -10.950 10.619 -0.057 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.168 8.044 1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.669 8.352 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.278 9.049 2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.038 10.702 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.695 11.213 1.564 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.707 6.479 -0.148 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.321 5.478 -1.021 1.00 0.00 C ATOM 1362 C GLU A 85 -11.535 5.362 -2.334 1.00 0.00 C ATOM 1363 O GLU A 85 -11.999 4.790 -3.325 1.00 0.00 O ATOM 1364 CB GLU A 85 -13.821 5.776 -1.259 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.568 4.652 -1.966 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.065 4.820 -1.928 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -16.621 5.472 -2.834 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.702 4.275 -0.996 1.00 0.00 O ATOM 0 H GLU A 85 -11.261 6.077 0.676 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.276 4.510 -0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.300 5.970 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.911 6.687 -1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.240 4.603 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.303 3.701 -1.503 1.00 0.00 H new ATOM 1375 N ASP A 86 -10.322 5.898 -2.328 1.00 0.00 N ATOM 1376 CA ASP A 86 -9.452 5.835 -3.490 1.00 0.00 C ATOM 1377 C ASP A 86 -8.946 4.406 -3.692 1.00 0.00 C ATOM 1378 O ASP A 86 -9.192 3.510 -2.857 1.00 0.00 O ATOM 1379 CB ASP A 86 -8.271 6.797 -3.336 1.00 0.00 C ATOM 1380 CG ASP A 86 -7.877 7.452 -4.649 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -7.612 6.727 -5.641 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -7.832 8.699 -4.699 1.00 0.00 O ATOM 0 H ASP A 86 -9.919 6.383 -1.526 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.026 6.135 -4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.528 7.570 -2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.415 6.255 -2.933 1.00 0.00 H new ATOM 1387 N VAL A 87 -8.218 4.183 -4.766 1.00 0.00 N ATOM 1388 CA VAL A 87 -7.753 2.852 -5.092 1.00 0.00 C ATOM 1389 C VAL A 87 -6.266 2.833 -5.409 1.00 0.00 C ATOM 1390 O VAL A 87 -5.742 3.703 -6.108 1.00 0.00 O ATOM 1391 CB VAL A 87 -8.548 2.221 -6.273 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.027 2.120 -5.936 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -8.351 3.017 -7.557 1.00 0.00 C ATOM 0 H VAL A 87 -7.936 4.906 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.928 2.249 -4.201 1.00 0.00 H new ATOM 0 HB VAL A 87 -8.159 1.215 -6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -10.562 1.676 -6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -10.157 1.495 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.424 3.116 -5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.918 2.552 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.701 4.039 -7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.293 3.030 -7.818 1.00 0.00 H new ATOM 1403 N ILE A 88 -5.586 1.851 -4.872 1.00 0.00 N ATOM 1404 CA ILE A 88 -4.174 1.655 -5.135 1.00 0.00 C ATOM 1405 C ILE A 88 -4.024 0.516 -6.123 1.00 0.00 C ATOM 1406 O ILE A 88 -4.748 -0.474 -6.039 1.00 0.00 O ATOM 1407 CB ILE A 88 -3.372 1.334 -3.823 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -3.152 2.601 -2.972 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -2.032 0.676 -4.139 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.416 3.203 -2.404 1.00 0.00 C ATOM 0 H ILE A 88 -5.992 1.162 -4.239 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.764 2.578 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.974 0.633 -3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.479 2.358 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.651 3.351 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.501 0.467 -3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.202 -0.256 -4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.434 1.347 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.167 4.089 -1.820 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.084 3.482 -3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.910 2.473 -1.763 1.00 0.00 H new ATOM 1422 N GLU A 89 -3.095 0.638 -7.049 1.00 0.00 N ATOM 1423 CA GLU A 89 -2.902 -0.385 -8.058 1.00 0.00 C ATOM 1424 C GLU A 89 -1.735 -1.279 -7.666 1.00 0.00 C ATOM 1425 O GLU A 89 -0.687 -0.796 -7.208 1.00 0.00 O ATOM 1426 CB GLU A 89 -2.645 0.250 -9.421 1.00 0.00 C ATOM 1427 CG GLU A 89 -2.552 -0.753 -10.555 1.00 0.00 C ATOM 1428 CD GLU A 89 -3.875 -1.424 -10.845 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -4.669 -0.863 -11.634 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -4.133 -2.506 -10.295 1.00 0.00 O ATOM 0 H GLU A 89 -2.462 1.434 -7.124 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.808 -0.988 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.445 0.957 -9.639 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.718 0.821 -9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.200 -0.248 -11.454 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.811 -1.512 -10.305 1.00 0.00 H new ATOM 1437 N VAL A 90 -1.903 -2.572 -7.818 1.00 0.00 N ATOM 1438 CA VAL A 90 -0.883 -3.515 -7.439 1.00 0.00 C ATOM 1439 C VAL A 90 -0.596 -4.529 -8.545 1.00 0.00 C ATOM 1440 O VAL A 90 -1.504 -5.127 -9.132 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.268 -4.262 -6.129 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.438 -5.513 -5.959 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.088 -3.357 -4.925 1.00 0.00 C ATOM 0 H VAL A 90 -2.746 -2.996 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 90 0.025 -2.937 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.317 -4.547 -6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.725 -6.018 -5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.607 -6.179 -6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.618 -5.246 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.362 -3.898 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.046 -3.043 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.726 -2.479 -5.031 1.00 0.00 H new ATOM 1453 N TYR A 91 0.675 -4.726 -8.823 1.00 0.00 N ATOM 1454 CA TYR A 91 1.101 -5.697 -9.800 1.00 0.00 C ATOM 1455 C TYR A 91 1.939 -6.753 -9.112 1.00 0.00 C ATOM 1456 O TYR A 91 2.743 -6.438 -8.248 1.00 0.00 O ATOM 1457 CB TYR A 91 1.886 -5.028 -10.923 1.00 0.00 C ATOM 1458 CG TYR A 91 1.109 -3.943 -11.632 1.00 0.00 C ATOM 1459 CD1 TYR A 91 0.008 -4.257 -12.417 1.00 0.00 C ATOM 1460 CD2 TYR A 91 1.467 -2.607 -11.508 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -0.712 -3.273 -13.060 1.00 0.00 C ATOM 1462 CE2 TYR A 91 0.749 -1.615 -12.148 1.00 0.00 C ATOM 1463 CZ TYR A 91 -0.341 -1.953 -12.924 1.00 0.00 C ATOM 1464 OH TYR A 91 -1.057 -0.967 -13.567 1.00 0.00 O ATOM 0 H TYR A 91 1.438 -4.217 -8.377 1.00 0.00 H new ATOM 0 HA TYR A 91 0.225 -6.167 -10.248 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.801 -4.601 -10.513 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.185 -5.784 -11.649 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.289 -5.290 -12.526 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.320 -2.339 -10.902 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.565 -3.536 -13.669 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.039 -0.580 -12.041 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.664 -0.092 -13.365 1.00 0.00 H new ATOM 1474 N GLN A 92 1.755 -8.004 -9.478 1.00 0.00 N ATOM 1475 CA GLN A 92 2.464 -9.085 -8.817 1.00 0.00 C ATOM 1476 C GLN A 92 3.071 -10.064 -9.824 1.00 0.00 C ATOM 1477 O GLN A 92 2.402 -10.522 -10.758 1.00 0.00 O ATOM 1478 CB GLN A 92 1.518 -9.836 -7.846 1.00 0.00 C ATOM 1479 CG GLN A 92 0.448 -10.680 -8.547 1.00 0.00 C ATOM 1480 CD GLN A 92 -0.505 -11.386 -7.593 1.00 0.00 C ATOM 1481 OE1 GLN A 92 -0.970 -12.489 -7.873 1.00 0.00 O ATOM 1482 NE2 GLN A 92 -0.832 -10.747 -6.486 1.00 0.00 N ATOM 0 H GLN A 92 1.125 -8.299 -10.224 1.00 0.00 H new ATOM 0 HA GLN A 92 3.282 -8.642 -8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.114 -10.484 -7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.027 -9.109 -7.199 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.129 -10.038 -9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.939 -11.426 -9.172 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.426 -9.833 -6.286 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.490 -11.167 -5.830 1.00 0.00 H new ATOM 1491 N GLU A 93 4.352 -10.342 -9.661 1.00 0.00 N ATOM 1492 CA GLU A 93 5.005 -11.364 -10.457 1.00 0.00 C ATOM 1493 C GLU A 93 4.545 -12.726 -9.966 1.00 0.00 C ATOM 1494 O GLU A 93 4.137 -12.869 -8.808 1.00 0.00 O ATOM 1495 CB GLU A 93 6.521 -11.276 -10.330 1.00 0.00 C ATOM 1496 CG GLU A 93 7.128 -9.968 -10.792 1.00 0.00 C ATOM 1497 CD GLU A 93 8.623 -9.928 -10.563 1.00 0.00 C ATOM 1498 OE1 GLU A 93 9.059 -10.027 -9.389 1.00 0.00 O ATOM 1499 OE2 GLU A 93 9.380 -9.792 -11.545 1.00 0.00 O ATOM 0 H GLU A 93 4.959 -9.876 -8.987 1.00 0.00 H new ATOM 0 HA GLU A 93 4.740 -11.217 -11.504 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.793 -11.437 -9.287 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.966 -12.088 -10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.919 -9.825 -11.852 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.657 -9.141 -10.260 1.00 0.00 H new ATOM 1506 N GLN A 94 4.612 -13.731 -10.812 1.00 0.00 N ATOM 1507 CA GLN A 94 4.202 -15.064 -10.409 1.00 0.00 C ATOM 1508 C GLN A 94 5.426 -15.879 -10.030 1.00 0.00 C ATOM 1509 O GLN A 94 5.326 -16.961 -9.457 1.00 0.00 O ATOM 1510 CB GLN A 94 3.420 -15.759 -11.526 1.00 0.00 C ATOM 1511 CG GLN A 94 4.229 -16.030 -12.780 1.00 0.00 C ATOM 1512 CD GLN A 94 3.439 -16.792 -13.814 1.00 0.00 C ATOM 1513 OE1 GLN A 94 2.792 -16.200 -14.679 1.00 0.00 O ATOM 1514 NE2 GLN A 94 3.469 -18.110 -13.725 1.00 0.00 N ATOM 0 H GLN A 94 4.942 -13.655 -11.774 1.00 0.00 H new ATOM 0 HA GLN A 94 3.543 -14.981 -9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.031 -16.704 -11.147 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.560 -15.143 -11.789 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.564 -15.084 -13.206 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.123 -16.596 -12.518 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.018 -18.559 -12.992 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.943 -18.678 -14.389 1.00 0.00 H new ATOM 1523 N THR A 95 6.583 -15.359 -10.368 1.00 0.00 N ATOM 1524 CA THR A 95 7.836 -15.989 -10.052 1.00 0.00 C ATOM 1525 C THR A 95 8.692 -15.045 -9.219 1.00 0.00 C ATOM 1526 O THR A 95 9.251 -14.075 -9.733 1.00 0.00 O ATOM 1527 CB THR A 95 8.591 -16.390 -11.338 1.00 0.00 C ATOM 1528 OG1 THR A 95 8.437 -15.357 -12.333 1.00 0.00 O ATOM 1529 CG2 THR A 95 8.067 -17.708 -11.886 1.00 0.00 C ATOM 0 H THR A 95 6.678 -14.479 -10.875 1.00 0.00 H new ATOM 0 HA THR A 95 7.633 -16.894 -9.479 1.00 0.00 H new ATOM 0 HB THR A 95 9.646 -16.512 -11.094 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.631 -14.484 -11.931 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.615 -17.969 -12.792 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.204 -18.492 -11.141 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.007 -17.609 -12.119 1.00 0.00 H new ATOM 1537 N GLY A 96 8.768 -15.305 -7.931 1.00 0.00 N ATOM 1538 CA GLY A 96 9.538 -14.454 -7.049 1.00 0.00 C ATOM 1539 C GLY A 96 10.737 -15.158 -6.471 1.00 0.00 C ATOM 1540 O GLY A 96 11.802 -14.552 -6.286 1.00 0.00 O ATOM 0 H GLY A 96 8.310 -16.093 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.868 -13.572 -7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.900 -14.105 -6.238 1.00 0.00 H new ATOM 1544 N GLY A 97 10.582 -16.439 -6.178 1.00 0.00 N ATOM 1545 CA GLY A 97 11.671 -17.201 -5.616 1.00 0.00 C ATOM 1546 C GLY A 97 11.837 -16.926 -4.143 1.00 0.00 C ATOM 1547 O GLY A 97 12.978 -16.981 -3.644 1.00 0.00 O ATOM 1548 OXT GLY A 97 10.833 -16.636 -3.477 1.00 0.00 O ATOM 0 H GLY A 97 9.719 -16.964 -6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.489 -18.265 -5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.595 -16.956 -6.139 1.00 0.00 H new TER 1552 GLY A 97