USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 778 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ -134:sc=-0.00667 (180deg=-0.28) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 165:sc= -0.0367 (180deg=-0.264) USER MOD Set 2.1: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 85 LYS NZ :NH3+ -168:sc= -0.0189 (180deg=-0.208) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.123 (180deg=-0.589) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 8 MET CE :methyl -154:sc= -0.472 (180deg=-2.29!) USER MOD Single : A 12 THR OG1 : rot -88:sc= 0.97 USER MOD Single : A 16 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -135:sc= -0.103 (180deg=-0.443) USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= -0.649 (180deg=-1.52) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 34 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.11) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -44:sc= 1.27 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-3.7!) USER MOD Single : A 54 GLN : amide:sc= -0.0769 K(o=-0.077,f=-0.77) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 170:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00294) USER MOD Single : A 67 ASN : amide:sc= -0.0766 X(o=-0.077,f=0) USER MOD Single : A 70 GLN : amide:sc= -2.66! C(o=-2.7!,f=-5.2!) USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= -0.0276 (180deg=-0.237) USER MOD Single : A 73 ASN :FLIP amide:sc= 0.0277 F(o=-1.9!,f=0.028) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -162:sc= -0.139 (180deg=-0.602) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 138:sc= -1.67! (180deg=-4.22!) USER MOD Single : A 86 LYS NZ :NH3+ 138:sc= -1.08 (180deg=-3.45!) USER MOD Single : A 93 MET CE :methyl 156:sc= -0.157 (180deg=-0.727) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 95 ASN :FLIP amide:sc= -0.0259 F(o=-1.3!,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.145 -2.581 13.249 1.00 0.00 N ATOM 2 CA MET A 1 -8.703 -1.172 13.417 1.00 0.00 C ATOM 3 C MET A 1 -8.148 -0.617 12.110 1.00 0.00 C ATOM 4 O MET A 1 -7.797 -1.372 11.203 1.00 0.00 O ATOM 5 CB MET A 1 -7.641 -1.081 14.514 1.00 0.00 C ATOM 6 CG MET A 1 -8.122 -1.579 15.868 1.00 0.00 C ATOM 7 SD MET A 1 -6.856 -1.457 17.147 1.00 0.00 S ATOM 8 CE MET A 1 -6.624 0.317 17.229 1.00 0.00 C ATOM 0 H1 MET A 1 -10.081 -2.706 13.685 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.202 -2.808 12.236 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.462 -3.216 13.708 1.00 0.00 H new ATOM 0 HA MET A 1 -9.569 -0.575 13.705 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.768 -1.660 14.212 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.318 -0.044 14.611 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.996 -1.003 16.172 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.440 -2.617 15.776 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.145 0.578 18.173 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.994 0.640 16.400 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.592 0.814 17.164 1.00 0.00 H new ATOM 20 N GLU A 2 -8.070 0.709 12.022 1.00 0.00 N ATOM 21 CA GLU A 2 -7.558 1.369 10.824 1.00 0.00 C ATOM 22 C GLU A 2 -6.056 1.147 10.672 1.00 0.00 C ATOM 23 O GLU A 2 -5.549 1.031 9.557 1.00 0.00 O ATOM 24 CB GLU A 2 -7.865 2.867 10.873 1.00 0.00 C ATOM 25 CG GLU A 2 -7.371 3.633 9.657 1.00 0.00 C ATOM 26 CD GLU A 2 -7.680 5.115 9.739 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.909 5.846 10.396 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.690 5.545 9.143 1.00 0.00 O ATOM 0 H GLU A 2 -8.355 1.347 12.765 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.056 0.930 9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.942 3.005 10.965 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.411 3.293 11.768 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.294 3.495 9.557 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.830 3.219 8.759 1.00 0.00 H new ATOM 35 N SER A 3 -5.350 1.088 11.798 1.00 0.00 N ATOM 36 CA SER A 3 -3.905 0.882 11.782 1.00 0.00 C ATOM 37 C SER A 3 -3.551 -0.422 11.072 1.00 0.00 C ATOM 38 O SER A 3 -2.604 -0.475 10.288 1.00 0.00 O ATOM 39 CB SER A 3 -3.352 0.868 13.209 1.00 0.00 C ATOM 40 OG SER A 3 -3.939 -0.168 13.977 1.00 0.00 O ATOM 0 H SER A 3 -5.754 1.180 12.730 1.00 0.00 H new ATOM 0 HA SER A 3 -3.451 1.708 11.235 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.270 0.735 13.181 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.543 1.830 13.685 1.00 0.00 H new ATOM 0 HG SER A 3 -3.566 -0.155 14.883 1.00 0.00 H new ATOM 46 N GLU A 4 -4.320 -1.469 11.353 1.00 0.00 N ATOM 47 CA GLU A 4 -4.091 -2.773 10.741 1.00 0.00 C ATOM 48 C GLU A 4 -4.569 -2.790 9.292 1.00 0.00 C ATOM 49 O GLU A 4 -4.005 -3.490 8.453 1.00 0.00 O ATOM 50 CB GLU A 4 -4.812 -3.865 11.536 1.00 0.00 C ATOM 51 CG GLU A 4 -4.676 -5.253 10.929 1.00 0.00 C ATOM 52 CD GLU A 4 -5.455 -6.303 11.696 1.00 0.00 C ATOM 53 OE1 GLU A 4 -4.886 -6.891 12.640 1.00 0.00 O ATOM 54 OE2 GLU A 4 -6.632 -6.540 11.351 1.00 0.00 O ATOM 0 H GLU A 4 -5.107 -1.440 12.001 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.018 -2.966 10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.418 -3.882 12.552 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.870 -3.611 11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.024 -5.230 9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.623 -5.533 10.904 1.00 0.00 H new ATOM 61 N TYR A 5 -5.606 -2.012 9.007 1.00 0.00 N ATOM 62 CA TYR A 5 -6.172 -1.942 7.663 1.00 0.00 C ATOM 63 C TYR A 5 -5.139 -1.475 6.640 1.00 0.00 C ATOM 64 O TYR A 5 -5.049 -2.027 5.543 1.00 0.00 O ATOM 65 CB TYR A 5 -7.383 -1.005 7.652 1.00 0.00 C ATOM 66 CG TYR A 5 -7.984 -0.798 6.280 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.446 -1.875 5.532 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.086 0.474 5.732 1.00 0.00 C ATOM 69 CE1 TYR A 5 -8.993 -1.689 4.277 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.632 0.668 4.477 1.00 0.00 C ATOM 71 CZ TYR A 5 -9.083 -0.416 3.754 1.00 0.00 C ATOM 72 OH TYR A 5 -9.625 -0.227 2.505 1.00 0.00 O ATOM 0 H TYR A 5 -6.075 -1.418 9.691 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.488 -2.947 7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.148 -1.408 8.316 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.086 -0.038 8.058 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.376 -2.873 5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.733 1.325 6.295 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.348 -2.536 3.709 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.705 1.664 4.065 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.616 0.728 2.285 1.00 0.00 H new ATOM 82 N ARG A 6 -4.362 -0.460 7.002 1.00 0.00 N ATOM 83 CA ARG A 6 -3.344 0.082 6.105 1.00 0.00 C ATOM 84 C ARG A 6 -2.071 -0.758 6.131 1.00 0.00 C ATOM 85 O ARG A 6 -1.396 -0.909 5.114 1.00 0.00 O ATOM 86 CB ARG A 6 -3.019 1.527 6.487 1.00 0.00 C ATOM 87 CG ARG A 6 -2.490 1.682 7.904 1.00 0.00 C ATOM 88 CD ARG A 6 -2.269 3.144 8.258 1.00 0.00 C ATOM 89 NE ARG A 6 -1.724 3.309 9.604 1.00 0.00 N ATOM 90 CZ ARG A 6 -1.817 4.434 10.304 1.00 0.00 C ATOM 91 NH1 ARG A 6 -2.437 5.489 9.792 1.00 0.00 N ATOM 92 NH2 ARG A 6 -1.293 4.504 11.520 1.00 0.00 N ATOM 0 H ARG A 6 -4.416 0.004 7.909 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.747 0.055 5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.281 1.921 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.918 2.133 6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.195 1.239 8.607 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.552 1.136 8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.588 3.592 7.535 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.214 3.682 8.182 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.245 2.515 10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.844 5.438 8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.507 6.351 10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.818 3.694 11.918 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.365 5.368 12.057 1.00 0.00 H new ATOM 106 N GLU A 7 -1.751 -1.303 7.297 1.00 0.00 N ATOM 107 CA GLU A 7 -0.548 -2.115 7.462 1.00 0.00 C ATOM 108 C GLU A 7 -0.602 -3.396 6.630 1.00 0.00 C ATOM 109 O GLU A 7 0.362 -3.737 5.943 1.00 0.00 O ATOM 110 CB GLU A 7 -0.348 -2.468 8.937 1.00 0.00 C ATOM 111 CG GLU A 7 0.935 -3.237 9.209 1.00 0.00 C ATOM 112 CD GLU A 7 1.078 -3.638 10.664 1.00 0.00 C ATOM 113 OE1 GLU A 7 1.581 -2.818 11.460 1.00 0.00 O ATOM 114 OE2 GLU A 7 0.688 -4.774 11.008 1.00 0.00 O ATOM 0 H GLU A 7 -2.308 -1.199 8.145 1.00 0.00 H new ATOM 0 HA GLU A 7 0.294 -1.521 7.107 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.343 -1.550 9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.197 -3.061 9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.957 -4.131 8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.789 -2.625 8.919 1.00 0.00 H new ATOM 121 N MET A 8 -1.727 -4.102 6.693 1.00 0.00 N ATOM 122 CA MET A 8 -1.881 -5.356 5.958 1.00 0.00 C ATOM 123 C MET A 8 -2.049 -5.121 4.458 1.00 0.00 C ATOM 124 O MET A 8 -1.454 -5.828 3.647 1.00 0.00 O ATOM 125 CB MET A 8 -3.072 -6.154 6.502 1.00 0.00 C ATOM 126 CG MET A 8 -4.424 -5.521 6.214 1.00 0.00 C ATOM 127 SD MET A 8 -5.792 -6.424 6.968 1.00 0.00 S ATOM 128 CE MET A 8 -5.657 -8.005 6.136 1.00 0.00 C ATOM 0 H MET A 8 -2.542 -3.830 7.242 1.00 0.00 H new ATOM 0 HA MET A 8 -0.967 -5.931 6.104 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.052 -7.155 6.072 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.958 -6.268 7.580 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.425 -4.495 6.581 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.576 -5.474 5.136 1.00 0.00 H new ATOM 0 HE1 MET A 8 -6.632 -8.492 6.119 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.311 -7.850 5.114 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.946 -8.637 6.668 1.00 0.00 H new ATOM 138 N LEU A 9 -2.850 -4.127 4.092 1.00 0.00 N ATOM 139 CA LEU A 9 -3.097 -3.822 2.685 1.00 0.00 C ATOM 140 C LEU A 9 -1.795 -3.560 1.932 1.00 0.00 C ATOM 141 O LEU A 9 -1.688 -3.856 0.743 1.00 0.00 O ATOM 142 CB LEU A 9 -4.033 -2.618 2.558 1.00 0.00 C ATOM 143 CG LEU A 9 -4.398 -2.228 1.123 1.00 0.00 C ATOM 144 CD1 LEU A 9 -5.873 -1.871 1.025 1.00 0.00 C ATOM 145 CD2 LEU A 9 -3.535 -1.067 0.651 1.00 0.00 C ATOM 0 H LEU A 9 -3.340 -3.518 4.748 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.574 -4.693 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.951 -2.832 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.566 -1.761 3.043 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.209 -3.084 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.113 -1.597 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.476 -2.729 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.089 -1.031 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.808 -0.803 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.693 -0.208 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.485 -1.358 0.683 1.00 0.00 H new ATOM 157 N LEU A 10 -0.810 -3.003 2.628 1.00 0.00 N ATOM 158 CA LEU A 10 0.478 -2.700 2.013 1.00 0.00 C ATOM 159 C LEU A 10 1.382 -3.930 1.962 1.00 0.00 C ATOM 160 O LEU A 10 1.860 -4.312 0.896 1.00 0.00 O ATOM 161 CB LEU A 10 1.178 -1.576 2.780 1.00 0.00 C ATOM 162 CG LEU A 10 0.443 -0.234 2.785 1.00 0.00 C ATOM 163 CD1 LEU A 10 1.105 0.728 3.756 1.00 0.00 C ATOM 164 CD2 LEU A 10 0.406 0.363 1.384 1.00 0.00 C ATOM 0 H LEU A 10 -0.878 -2.753 3.615 1.00 0.00 H new ATOM 0 HA LEU A 10 0.286 -2.379 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.322 -1.897 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.169 -1.428 2.351 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.583 -0.405 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.571 1.678 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.080 0.306 4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.140 0.892 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.121 1.317 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.424 0.520 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.112 -0.320 0.711 1.00 0.00 H new ATOM 176 N LEU A 11 1.608 -4.547 3.120 1.00 0.00 N ATOM 177 CA LEU A 11 2.471 -5.724 3.211 1.00 0.00 C ATOM 178 C LEU A 11 1.978 -6.865 2.320 1.00 0.00 C ATOM 179 O LEU A 11 2.765 -7.715 1.901 1.00 0.00 O ATOM 180 CB LEU A 11 2.590 -6.177 4.677 1.00 0.00 C ATOM 181 CG LEU A 11 2.257 -7.647 4.966 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.945 -8.105 6.243 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.752 -7.844 5.079 1.00 0.00 C ATOM 0 H LEU A 11 1.205 -4.252 4.009 1.00 0.00 H new ATOM 0 HA LEU A 11 3.460 -5.445 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.609 -5.985 5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.933 -5.552 5.282 1.00 0.00 H new ATOM 0 HG LEU A 11 2.623 -8.251 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.699 -9.149 6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.024 -8.001 6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.605 -7.493 7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.537 -8.893 5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.364 -7.229 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.276 -7.552 4.143 1.00 0.00 H new ATOM 195 N THR A 12 0.681 -6.882 2.029 1.00 0.00 N ATOM 196 CA THR A 12 0.109 -7.926 1.183 1.00 0.00 C ATOM 197 C THR A 12 0.599 -7.799 -0.256 1.00 0.00 C ATOM 198 O THR A 12 0.316 -8.653 -1.096 1.00 0.00 O ATOM 199 CB THR A 12 -1.431 -7.891 1.195 1.00 0.00 C ATOM 200 OG1 THR A 12 -1.893 -6.541 1.066 1.00 0.00 O ATOM 201 CG2 THR A 12 -1.977 -8.503 2.476 1.00 0.00 C ATOM 0 H THR A 12 0.010 -6.191 2.363 1.00 0.00 H new ATOM 0 HA THR A 12 0.442 -8.878 1.596 1.00 0.00 H new ATOM 0 HB THR A 12 -1.792 -8.478 0.350 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.953 -6.129 1.953 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.066 -8.467 2.461 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.649 -9.540 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.607 -7.942 3.334 1.00 0.00 H new ATOM 209 N GLY A 13 1.330 -6.723 -0.534 1.00 0.00 N ATOM 210 CA GLY A 13 1.852 -6.502 -1.869 1.00 0.00 C ATOM 211 C GLY A 13 3.364 -6.353 -1.887 1.00 0.00 C ATOM 212 O GLY A 13 4.034 -6.893 -2.768 1.00 0.00 O ATOM 0 H GLY A 13 1.570 -6.000 0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.565 -7.335 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.397 -5.605 -2.289 1.00 0.00 H new ATOM 216 N LEU A 14 3.900 -5.618 -0.915 1.00 0.00 N ATOM 217 CA LEU A 14 5.342 -5.399 -0.823 1.00 0.00 C ATOM 218 C LEU A 14 6.095 -6.721 -0.710 1.00 0.00 C ATOM 219 O LEU A 14 7.074 -6.951 -1.419 1.00 0.00 O ATOM 220 CB LEU A 14 5.680 -4.514 0.385 1.00 0.00 C ATOM 221 CG LEU A 14 5.573 -3.002 0.156 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.483 -2.564 -0.981 1.00 0.00 C ATOM 223 CD2 LEU A 14 4.133 -2.601 -0.125 1.00 0.00 C ATOM 0 H LEU A 14 3.358 -5.164 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 14 5.655 -4.895 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.018 -4.786 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.696 -4.743 0.706 1.00 0.00 H new ATOM 0 HG LEU A 14 5.897 -2.497 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.391 -1.488 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.516 -2.810 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.195 -3.080 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.080 -1.524 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.779 -3.118 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.507 -2.873 0.725 1.00 0.00 H new ATOM 235 N ASP A 15 5.629 -7.585 0.184 1.00 0.00 N ATOM 236 CA ASP A 15 6.262 -8.880 0.406 1.00 0.00 C ATOM 237 C ASP A 15 5.836 -9.901 -0.646 1.00 0.00 C ATOM 238 O ASP A 15 6.115 -11.093 -0.507 1.00 0.00 O ATOM 239 CB ASP A 15 5.915 -9.401 1.800 1.00 0.00 C ATOM 240 CG ASP A 15 6.318 -8.435 2.896 1.00 0.00 C ATOM 241 OD1 ASP A 15 5.505 -7.549 3.235 1.00 0.00 O ATOM 242 OD2 ASP A 15 7.447 -8.564 3.416 1.00 0.00 O ATOM 0 H ASP A 15 4.812 -7.411 0.769 1.00 0.00 H new ATOM 0 HA ASP A 15 7.340 -8.740 0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.842 -9.586 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.413 -10.357 1.962 1.00 0.00 H new ATOM 247 N HIS A 16 5.166 -9.437 -1.697 1.00 0.00 N ATOM 248 CA HIS A 16 4.701 -10.330 -2.755 1.00 0.00 C ATOM 249 C HIS A 16 5.279 -9.944 -4.116 1.00 0.00 C ATOM 250 O HIS A 16 5.170 -10.704 -5.078 1.00 0.00 O ATOM 251 CB HIS A 16 3.173 -10.325 -2.818 1.00 0.00 C ATOM 252 CG HIS A 16 2.523 -10.938 -1.616 1.00 0.00 C ATOM 253 ND1 HIS A 16 1.736 -12.067 -1.662 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.555 -10.556 -0.313 1.00 0.00 C ATOM 255 CE1 HIS A 16 1.321 -12.330 -0.416 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.791 -11.443 0.441 1.00 0.00 N ATOM 0 H HIS A 16 4.934 -8.454 -1.839 1.00 0.00 H new ATOM 0 HA HIS A 16 5.051 -11.334 -2.515 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.825 -9.298 -2.925 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.852 -10.864 -3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 16 3.088 -9.701 0.076 1.00 0.00 H new ATOM 0 HE1 HIS A 16 0.684 -13.160 -0.147 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.628 -11.413 1.447 1.00 0.00 H new ATOM 264 N ILE A 17 5.893 -8.767 -4.194 1.00 0.00 N ATOM 265 CA ILE A 17 6.479 -8.303 -5.448 1.00 0.00 C ATOM 266 C ILE A 17 7.989 -8.524 -5.474 1.00 0.00 C ATOM 267 O ILE A 17 8.581 -8.961 -4.488 1.00 0.00 O ATOM 268 CB ILE A 17 6.187 -6.810 -5.693 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.628 -5.975 -4.489 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.707 -6.605 -5.983 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.488 -4.483 -4.702 1.00 0.00 C ATOM 0 H ILE A 17 5.997 -8.122 -3.411 1.00 0.00 H new ATOM 0 HA ILE A 17 6.016 -8.891 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 17 6.756 -6.478 -6.562 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.038 -6.266 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.669 -6.205 -4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.513 -5.546 -6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.428 -7.173 -6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.119 -6.949 -5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.819 -3.955 -3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.100 -4.178 -5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.444 -4.240 -4.901 1.00 0.00 H new ATOM 283 N THR A 18 8.603 -8.217 -6.614 1.00 0.00 N ATOM 284 CA THR A 18 10.042 -8.381 -6.779 1.00 0.00 C ATOM 285 C THR A 18 10.798 -7.171 -6.239 1.00 0.00 C ATOM 286 O THR A 18 10.249 -6.072 -6.154 1.00 0.00 O ATOM 287 CB THR A 18 10.413 -8.590 -8.260 1.00 0.00 C ATOM 288 OG1 THR A 18 9.562 -9.584 -8.845 1.00 0.00 O ATOM 289 CG2 THR A 18 11.867 -9.018 -8.402 1.00 0.00 C ATOM 0 H THR A 18 8.124 -7.853 -7.438 1.00 0.00 H new ATOM 0 HA THR A 18 10.330 -9.266 -6.211 1.00 0.00 H new ATOM 0 HB THR A 18 10.277 -7.642 -8.780 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.804 -9.709 -9.786 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.103 -9.159 -9.457 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.515 -8.248 -7.984 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.025 -9.954 -7.867 1.00 0.00 H new ATOM 297 N GLU A 19 12.060 -7.384 -5.875 1.00 0.00 N ATOM 298 CA GLU A 19 12.896 -6.316 -5.341 1.00 0.00 C ATOM 299 C GLU A 19 12.971 -5.136 -6.306 1.00 0.00 C ATOM 300 O GLU A 19 12.906 -3.979 -5.893 1.00 0.00 O ATOM 301 CB GLU A 19 14.303 -6.840 -5.052 1.00 0.00 C ATOM 302 CG GLU A 19 14.335 -7.972 -4.040 1.00 0.00 C ATOM 303 CD GLU A 19 15.735 -8.506 -3.808 1.00 0.00 C ATOM 304 OE1 GLU A 19 16.440 -7.964 -2.930 1.00 0.00 O ATOM 305 OE2 GLU A 19 16.128 -9.464 -4.506 1.00 0.00 O ATOM 0 H GLU A 19 12.526 -8.289 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 19 12.442 -5.969 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.752 -7.184 -5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.919 -6.019 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.923 -7.621 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.694 -8.782 -4.386 1.00 0.00 H new ATOM 312 N GLU A 20 13.106 -5.436 -7.594 1.00 0.00 N ATOM 313 CA GLU A 20 13.190 -4.398 -8.616 1.00 0.00 C ATOM 314 C GLU A 20 11.885 -3.612 -8.706 1.00 0.00 C ATOM 315 O GLU A 20 11.886 -2.423 -9.025 1.00 0.00 O ATOM 316 CB GLU A 20 13.522 -5.018 -9.976 1.00 0.00 C ATOM 317 CG GLU A 20 12.461 -5.983 -10.480 1.00 0.00 C ATOM 318 CD GLU A 20 12.818 -6.594 -11.821 1.00 0.00 C ATOM 319 OE1 GLU A 20 12.545 -5.953 -12.856 1.00 0.00 O ATOM 320 OE2 GLU A 20 13.370 -7.714 -11.835 1.00 0.00 O ATOM 0 H GLU A 20 13.160 -6.389 -7.955 1.00 0.00 H new ATOM 0 HA GLU A 20 13.987 -3.710 -8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.653 -4.220 -10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.474 -5.543 -9.904 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.322 -6.779 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.509 -5.458 -10.566 1.00 0.00 H new ATOM 327 N GLU A 21 10.775 -4.285 -8.421 1.00 0.00 N ATOM 328 CA GLU A 21 9.460 -3.655 -8.469 1.00 0.00 C ATOM 329 C GLU A 21 9.273 -2.684 -7.307 1.00 0.00 C ATOM 330 O GLU A 21 8.519 -1.716 -7.412 1.00 0.00 O ATOM 331 CB GLU A 21 8.360 -4.720 -8.442 1.00 0.00 C ATOM 332 CG GLU A 21 8.390 -5.661 -9.636 1.00 0.00 C ATOM 333 CD GLU A 21 8.190 -4.940 -10.955 1.00 0.00 C ATOM 334 OE1 GLU A 21 7.022 -4.742 -11.353 1.00 0.00 O ATOM 335 OE2 GLU A 21 9.200 -4.575 -11.591 1.00 0.00 O ATOM 0 H GLU A 21 10.760 -5.269 -8.154 1.00 0.00 H new ATOM 0 HA GLU A 21 9.391 -3.092 -9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.456 -5.305 -7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.389 -4.226 -8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.345 -6.187 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.613 -6.416 -9.518 1.00 0.00 H new ATOM 342 N LEU A 22 9.959 -2.954 -6.200 1.00 0.00 N ATOM 343 CA LEU A 22 9.867 -2.108 -5.013 1.00 0.00 C ATOM 344 C LEU A 22 10.161 -0.648 -5.344 1.00 0.00 C ATOM 345 O LEU A 22 9.402 0.246 -4.969 1.00 0.00 O ATOM 346 CB LEU A 22 10.839 -2.596 -3.937 1.00 0.00 C ATOM 347 CG LEU A 22 10.547 -3.989 -3.375 1.00 0.00 C ATOM 348 CD1 LEU A 22 11.689 -4.455 -2.486 1.00 0.00 C ATOM 349 CD2 LEU A 22 9.237 -3.986 -2.599 1.00 0.00 C ATOM 0 H LEU A 22 10.585 -3.753 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 22 8.845 -2.175 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.846 -2.594 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.833 -1.881 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 22 10.453 -4.684 -4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.464 -5.447 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.610 -4.494 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.813 -3.758 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.045 -4.984 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.305 -3.278 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.422 -3.693 -3.261 1.00 0.00 H new ATOM 361 N LYS A 23 11.262 -0.411 -6.049 1.00 0.00 N ATOM 362 CA LYS A 23 11.657 0.945 -6.419 1.00 0.00 C ATOM 363 C LYS A 23 10.648 1.576 -7.374 1.00 0.00 C ATOM 364 O LYS A 23 10.395 2.777 -7.315 1.00 0.00 O ATOM 365 CB LYS A 23 13.046 0.944 -7.060 1.00 0.00 C ATOM 366 CG LYS A 23 14.185 0.794 -6.062 1.00 0.00 C ATOM 367 CD LYS A 23 14.210 -0.591 -5.436 1.00 0.00 C ATOM 368 CE LYS A 23 15.301 -0.706 -4.383 1.00 0.00 C ATOM 369 NZ LYS A 23 16.648 -0.414 -4.947 1.00 0.00 N ATOM 0 H LYS A 23 11.897 -1.139 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 23 11.684 1.540 -5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.101 0.131 -7.784 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.181 1.873 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.134 0.983 -6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.083 1.545 -5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.242 -0.805 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.371 -1.339 -6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.092 -0.015 -3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.294 -1.711 -3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.327 -1.128 -4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.602 -0.440 -5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.957 0.530 -4.637 1.00 0.00 H new ATOM 383 N ARG A 24 10.076 0.759 -8.252 1.00 0.00 N ATOM 384 CA ARG A 24 9.098 1.244 -9.223 1.00 0.00 C ATOM 385 C ARG A 24 7.858 1.802 -8.529 1.00 0.00 C ATOM 386 O ARG A 24 7.256 2.768 -8.998 1.00 0.00 O ATOM 387 CB ARG A 24 8.696 0.121 -10.181 1.00 0.00 C ATOM 388 CG ARG A 24 9.820 -0.334 -11.099 1.00 0.00 C ATOM 389 CD ARG A 24 9.344 -1.400 -12.073 1.00 0.00 C ATOM 390 NE ARG A 24 10.391 -1.793 -13.013 1.00 0.00 N ATOM 391 CZ ARG A 24 10.164 -2.505 -14.114 1.00 0.00 C ATOM 392 NH1 ARG A 24 8.933 -2.900 -14.412 1.00 0.00 N ATOM 393 NH2 ARG A 24 11.169 -2.822 -14.919 1.00 0.00 N ATOM 0 H ARG A 24 10.271 -0.240 -8.312 1.00 0.00 H new ATOM 0 HA ARG A 24 9.564 2.050 -9.790 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.346 -0.732 -9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.857 0.458 -10.789 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.207 0.521 -11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.643 -0.726 -10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.010 -2.276 -11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.482 -1.026 -12.626 1.00 0.00 H new ATOM 0 HE ARG A 24 11.349 -1.506 -12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.157 -2.658 -13.796 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.763 -3.446 -15.257 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.117 -2.520 -14.694 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.994 -3.368 -15.763 1.00 0.00 H new ATOM 407 N PHE A 25 7.482 1.188 -7.411 1.00 0.00 N ATOM 408 CA PHE A 25 6.306 1.617 -6.661 1.00 0.00 C ATOM 409 C PHE A 25 6.550 2.940 -5.937 1.00 0.00 C ATOM 410 O PHE A 25 5.797 3.899 -6.110 1.00 0.00 O ATOM 411 CB PHE A 25 5.900 0.537 -5.654 1.00 0.00 C ATOM 412 CG PHE A 25 4.670 0.881 -4.862 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.450 1.062 -5.495 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.733 1.022 -3.485 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.318 1.379 -4.769 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.604 1.339 -2.755 1.00 0.00 C ATOM 417 CZ PHE A 25 2.394 1.517 -3.397 1.00 0.00 C ATOM 0 H PHE A 25 7.974 0.392 -7.005 1.00 0.00 H new ATOM 0 HA PHE A 25 5.497 1.771 -7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.728 -0.398 -6.187 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.728 0.364 -4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.384 0.954 -6.568 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.676 0.882 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.374 1.519 -5.274 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.667 1.448 -1.682 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.510 1.763 -2.828 1.00 0.00 H new ATOM 427 N LYS A 26 7.602 2.986 -5.127 1.00 0.00 N ATOM 428 CA LYS A 26 7.935 4.188 -4.365 1.00 0.00 C ATOM 429 C LYS A 26 8.258 5.369 -5.279 1.00 0.00 C ATOM 430 O LYS A 26 7.936 6.512 -4.962 1.00 0.00 O ATOM 431 CB LYS A 26 9.117 3.920 -3.429 1.00 0.00 C ATOM 432 CG LYS A 26 8.748 3.130 -2.182 1.00 0.00 C ATOM 433 CD LYS A 26 8.387 1.691 -2.513 1.00 0.00 C ATOM 434 CE LYS A 26 8.018 0.908 -1.264 1.00 0.00 C ATOM 435 NZ LYS A 26 9.105 0.938 -0.248 1.00 0.00 N ATOM 0 H LYS A 26 8.241 2.205 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 26 7.057 4.449 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.886 3.376 -3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.553 4.873 -3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.584 3.144 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.907 3.610 -1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.552 1.676 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.228 1.209 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.106 1.322 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.802 -0.126 -1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.980 0.149 0.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.026 0.848 -0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.070 1.838 0.272 1.00 0.00 H new ATOM 449 N TYR A 27 8.892 5.087 -6.411 1.00 0.00 N ATOM 450 CA TYR A 27 9.264 6.135 -7.359 1.00 0.00 C ATOM 451 C TYR A 27 8.036 6.754 -8.018 1.00 0.00 C ATOM 452 O TYR A 27 8.042 7.934 -8.373 1.00 0.00 O ATOM 453 CB TYR A 27 10.195 5.569 -8.434 1.00 0.00 C ATOM 454 CG TYR A 27 10.752 6.619 -9.370 1.00 0.00 C ATOM 455 CD1 TYR A 27 11.885 7.349 -9.029 1.00 0.00 C ATOM 456 CD2 TYR A 27 10.146 6.880 -10.592 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.397 8.309 -9.881 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.653 7.837 -11.450 1.00 0.00 C ATOM 459 CZ TYR A 27 11.778 8.549 -11.089 1.00 0.00 C ATOM 460 OH TYR A 27 12.286 9.503 -11.940 1.00 0.00 O ATOM 0 H TYR A 27 9.159 4.145 -6.696 1.00 0.00 H new ATOM 0 HA TYR A 27 9.782 6.916 -6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.023 5.051 -7.949 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.652 4.826 -9.018 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.373 7.163 -8.083 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.264 6.326 -10.876 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.278 8.868 -9.602 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.171 8.027 -12.398 1.00 0.00 H new ATOM 0 HH TYR A 27 11.734 9.547 -12.749 1.00 0.00 H new ATOM 470 N PHE A 28 6.984 5.959 -8.176 1.00 0.00 N ATOM 471 CA PHE A 28 5.758 6.435 -8.808 1.00 0.00 C ATOM 472 C PHE A 28 4.908 7.251 -7.838 1.00 0.00 C ATOM 473 O PHE A 28 4.564 8.400 -8.119 1.00 0.00 O ATOM 474 CB PHE A 28 4.951 5.252 -9.344 1.00 0.00 C ATOM 475 CG PHE A 28 4.029 5.617 -10.472 1.00 0.00 C ATOM 476 CD1 PHE A 28 4.479 5.600 -11.782 1.00 0.00 C ATOM 477 CD2 PHE A 28 2.714 5.977 -10.223 1.00 0.00 C ATOM 478 CE1 PHE A 28 3.635 5.935 -12.824 1.00 0.00 C ATOM 479 CE2 PHE A 28 1.865 6.313 -11.261 1.00 0.00 C ATOM 480 CZ PHE A 28 2.326 6.292 -12.563 1.00 0.00 C ATOM 0 H PHE A 28 6.955 4.984 -7.876 1.00 0.00 H new ATOM 0 HA PHE A 28 6.040 7.086 -9.635 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.639 4.478 -9.684 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.365 4.824 -8.531 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.501 5.322 -11.992 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.349 5.995 -9.207 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.998 5.918 -13.841 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.842 6.592 -11.054 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.664 6.554 -13.375 1.00 0.00 H new ATOM 490 N ALA A 29 4.572 6.657 -6.695 1.00 0.00 N ATOM 491 CA ALA A 29 3.757 7.339 -5.694 1.00 0.00 C ATOM 492 C ALA A 29 4.547 8.441 -4.998 1.00 0.00 C ATOM 493 O ALA A 29 4.099 9.587 -4.925 1.00 0.00 O ATOM 494 CB ALA A 29 3.243 6.340 -4.670 1.00 0.00 C ATOM 0 H ALA A 29 4.850 5.709 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 29 2.910 7.799 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.636 6.859 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.637 5.585 -5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.087 5.858 -4.176 1.00 0.00 H new ATOM 500 N LEU A 30 5.722 8.088 -4.486 1.00 0.00 N ATOM 501 CA LEU A 30 6.575 9.050 -3.796 1.00 0.00 C ATOM 502 C LEU A 30 7.650 9.586 -4.737 1.00 0.00 C ATOM 503 O LEU A 30 8.730 9.007 -4.855 1.00 0.00 O ATOM 504 CB LEU A 30 7.222 8.408 -2.561 1.00 0.00 C ATOM 505 CG LEU A 30 6.266 7.666 -1.612 1.00 0.00 C ATOM 506 CD1 LEU A 30 4.947 8.412 -1.458 1.00 0.00 C ATOM 507 CD2 LEU A 30 6.024 6.243 -2.094 1.00 0.00 C ATOM 0 H LEU A 30 6.105 7.144 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 30 5.954 9.884 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.986 7.707 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.732 9.188 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 30 6.741 7.622 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.294 7.861 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.136 9.405 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.465 8.504 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.345 5.737 -1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.582 6.266 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.971 5.705 -2.130 1.00 0.00 H new ATOM 519 N THR A 31 7.346 10.693 -5.405 1.00 0.00 N ATOM 520 CA THR A 31 8.282 11.300 -6.345 1.00 0.00 C ATOM 521 C THR A 31 9.184 12.324 -5.669 1.00 0.00 C ATOM 522 O THR A 31 10.397 12.332 -5.882 1.00 0.00 O ATOM 523 CB THR A 31 7.538 11.982 -7.507 1.00 0.00 C ATOM 524 OG1 THR A 31 6.781 13.097 -7.020 1.00 0.00 O ATOM 525 CG2 THR A 31 6.608 10.998 -8.198 1.00 0.00 C ATOM 0 H THR A 31 6.459 11.189 -5.313 1.00 0.00 H new ATOM 0 HA THR A 31 8.900 10.489 -6.731 1.00 0.00 H new ATOM 0 HB THR A 31 8.277 12.333 -8.227 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.313 13.525 -7.767 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.091 11.499 -9.016 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.189 10.164 -8.592 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.876 10.624 -7.482 1.00 0.00 H new ATOM 533 N GLU A 32 8.589 13.188 -4.855 1.00 0.00 N ATOM 534 CA GLU A 32 9.344 14.227 -4.162 1.00 0.00 C ATOM 535 C GLU A 32 9.748 13.787 -2.757 1.00 0.00 C ATOM 536 O GLU A 32 10.618 14.397 -2.136 1.00 0.00 O ATOM 537 CB GLU A 32 8.518 15.514 -4.089 1.00 0.00 C ATOM 538 CG GLU A 32 9.280 16.697 -3.514 1.00 0.00 C ATOM 539 CD GLU A 32 8.453 17.969 -3.492 1.00 0.00 C ATOM 540 OE1 GLU A 32 7.722 18.185 -2.503 1.00 0.00 O ATOM 541 OE2 GLU A 32 8.538 18.748 -4.465 1.00 0.00 O ATOM 0 H GLU A 32 7.588 13.191 -4.658 1.00 0.00 H new ATOM 0 HA GLU A 32 10.256 14.411 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.170 15.769 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.632 15.333 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.601 16.459 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.182 16.864 -4.103 1.00 0.00 H new ATOM 548 N PHE A 33 9.121 12.725 -2.258 1.00 0.00 N ATOM 549 CA PHE A 33 9.425 12.232 -0.917 1.00 0.00 C ATOM 550 C PHE A 33 10.700 11.391 -0.911 1.00 0.00 C ATOM 551 O PHE A 33 11.368 11.277 0.117 1.00 0.00 O ATOM 552 CB PHE A 33 8.251 11.414 -0.379 1.00 0.00 C ATOM 553 CG PHE A 33 6.942 12.151 -0.423 1.00 0.00 C ATOM 554 CD1 PHE A 33 6.696 13.204 0.444 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.961 11.794 -1.334 1.00 0.00 C ATOM 556 CE1 PHE A 33 5.496 13.887 0.402 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.758 12.473 -1.378 1.00 0.00 C ATOM 558 CZ PHE A 33 4.525 13.521 -0.510 1.00 0.00 C ATOM 0 H PHE A 33 8.406 12.194 -2.756 1.00 0.00 H new ATOM 0 HA PHE A 33 9.588 13.094 -0.270 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.162 10.495 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.462 11.123 0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.451 13.494 1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.138 10.976 -2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.317 14.707 1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.000 12.184 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.586 14.053 -0.544 1.00 0.00 H new ATOM 568 N GLN A 34 11.032 10.817 -2.066 1.00 0.00 N ATOM 569 CA GLN A 34 12.235 9.995 -2.211 1.00 0.00 C ATOM 570 C GLN A 34 12.450 9.076 -1.009 1.00 0.00 C ATOM 571 O GLN A 34 13.395 9.260 -0.240 1.00 0.00 O ATOM 572 CB GLN A 34 13.463 10.886 -2.412 1.00 0.00 C ATOM 573 CG GLN A 34 13.456 11.646 -3.729 1.00 0.00 C ATOM 574 CD GLN A 34 13.534 10.727 -4.934 1.00 0.00 C ATOM 575 OE1 GLN A 34 14.621 10.403 -5.413 1.00 0.00 O ATOM 576 NE2 GLN A 34 12.378 10.303 -5.430 1.00 0.00 N ATOM 0 H GLN A 34 10.482 10.906 -2.920 1.00 0.00 H new ATOM 0 HA GLN A 34 12.094 9.364 -3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.521 11.600 -1.591 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.361 10.269 -2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.548 12.246 -3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.298 12.338 -3.749 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.501 10.597 -5.001 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.367 9.683 -6.240 1.00 0.00 H new ATOM 585 N ILE A 35 11.570 8.093 -0.843 1.00 0.00 N ATOM 586 CA ILE A 35 11.683 7.153 0.269 1.00 0.00 C ATOM 587 C ILE A 35 12.998 6.380 0.202 1.00 0.00 C ATOM 588 O ILE A 35 13.416 5.935 -0.867 1.00 0.00 O ATOM 589 CB ILE A 35 10.497 6.163 0.301 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.239 6.870 0.812 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.824 4.953 1.170 1.00 0.00 C ATOM 592 CD1 ILE A 35 8.016 5.977 0.879 1.00 0.00 C ATOM 0 H ILE A 35 10.775 7.927 -1.460 1.00 0.00 H new ATOM 0 HA ILE A 35 11.664 7.741 1.186 1.00 0.00 H new ATOM 0 HB ILE A 35 10.313 5.808 -0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.438 7.272 1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.022 7.718 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.974 4.270 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.698 4.441 0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 35 11.034 5.282 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.167 6.550 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.789 5.596 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.212 5.142 1.552 1.00 0.00 H new ATOM 604 N ALA A 36 13.640 6.227 1.356 1.00 0.00 N ATOM 605 CA ALA A 36 14.908 5.514 1.446 1.00 0.00 C ATOM 606 C ALA A 36 14.762 4.058 1.014 1.00 0.00 C ATOM 607 O ALA A 36 13.817 3.375 1.407 1.00 0.00 O ATOM 608 CB ALA A 36 15.448 5.594 2.865 1.00 0.00 C ATOM 0 H ALA A 36 13.300 6.590 2.246 1.00 0.00 H new ATOM 0 HA ALA A 36 15.614 5.991 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.396 5.059 2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.603 6.638 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.733 5.142 3.552 1.00 0.00 H new ATOM 614 N ARG A 37 15.704 3.594 0.198 1.00 0.00 N ATOM 615 CA ARG A 37 15.690 2.218 -0.293 1.00 0.00 C ATOM 616 C ARG A 37 15.928 1.221 0.838 1.00 0.00 C ATOM 617 O ARG A 37 15.446 0.089 0.792 1.00 0.00 O ATOM 618 CB ARG A 37 16.764 2.035 -1.366 1.00 0.00 C ATOM 619 CG ARG A 37 18.176 2.250 -0.845 1.00 0.00 C ATOM 620 CD ARG A 37 19.220 1.859 -1.877 1.00 0.00 C ATOM 621 NE ARG A 37 19.087 0.464 -2.289 1.00 0.00 N ATOM 622 CZ ARG A 37 19.752 -0.073 -3.309 1.00 0.00 C ATOM 623 NH1 ARG A 37 20.584 0.667 -4.027 1.00 0.00 N ATOM 624 NH2 ARG A 37 19.583 -1.353 -3.612 1.00 0.00 N ATOM 0 H ARG A 37 16.489 4.152 -0.138 1.00 0.00 H new ATOM 0 HA ARG A 37 14.705 2.026 -0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.686 1.030 -1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.575 2.732 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.308 3.297 -0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 37 18.323 1.663 0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.127 2.505 -2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 37 20.216 2.022 -1.465 1.00 0.00 H new ATOM 0 HE ARG A 37 18.447 -0.133 -1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.717 1.652 -3.799 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.092 0.251 -4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 37 18.943 -1.927 -3.063 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.093 -1.764 -4.394 1.00 0.00 H new ATOM 638 N SER A 38 16.676 1.648 1.849 1.00 0.00 N ATOM 639 CA SER A 38 17.000 0.787 2.982 1.00 0.00 C ATOM 640 C SER A 38 15.763 0.461 3.819 1.00 0.00 C ATOM 641 O SER A 38 15.618 -0.658 4.313 1.00 0.00 O ATOM 642 CB SER A 38 18.057 1.453 3.865 1.00 0.00 C ATOM 643 OG SER A 38 18.408 0.621 4.956 1.00 0.00 O ATOM 0 H SER A 38 17.070 2.587 1.908 1.00 0.00 H new ATOM 0 HA SER A 38 17.392 -0.148 2.581 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.944 1.674 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.677 2.405 4.237 1.00 0.00 H new ATOM 0 HG SER A 38 19.086 1.069 5.504 1.00 0.00 H new ATOM 649 N THR A 39 14.879 1.441 3.976 1.00 0.00 N ATOM 650 CA THR A 39 13.666 1.263 4.769 1.00 0.00 C ATOM 651 C THR A 39 12.787 0.137 4.230 1.00 0.00 C ATOM 652 O THR A 39 11.919 -0.372 4.939 1.00 0.00 O ATOM 653 CB THR A 39 12.834 2.557 4.828 1.00 0.00 C ATOM 654 OG1 THR A 39 12.407 2.928 3.513 1.00 0.00 O ATOM 655 CG2 THR A 39 13.642 3.689 5.445 1.00 0.00 C ATOM 0 H THR A 39 14.980 2.369 3.564 1.00 0.00 H new ATOM 0 HA THR A 39 14.000 1.000 5.773 1.00 0.00 H new ATOM 0 HB THR A 39 11.959 2.373 5.452 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.153 2.824 2.886 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.035 4.594 5.477 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.938 3.415 6.458 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.532 3.871 4.843 1.00 0.00 H new ATOM 663 N LEU A 40 13.014 -0.248 2.978 1.00 0.00 N ATOM 664 CA LEU A 40 12.235 -1.312 2.349 1.00 0.00 C ATOM 665 C LEU A 40 12.277 -2.601 3.170 1.00 0.00 C ATOM 666 O LEU A 40 11.495 -3.522 2.929 1.00 0.00 O ATOM 667 CB LEU A 40 12.748 -1.577 0.931 1.00 0.00 C ATOM 668 CG LEU A 40 12.166 -0.666 -0.155 1.00 0.00 C ATOM 669 CD1 LEU A 40 12.394 0.800 0.185 1.00 0.00 C ATOM 670 CD2 LEU A 40 12.775 -1.000 -1.508 1.00 0.00 C ATOM 0 H LEU A 40 13.731 0.160 2.378 1.00 0.00 H new ATOM 0 HA LEU A 40 11.198 -0.979 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.833 -1.471 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.529 -2.612 0.670 1.00 0.00 H new ATOM 0 HG LEU A 40 11.091 -0.838 -0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.972 1.426 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.910 1.033 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.464 0.992 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.352 -0.345 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.855 -0.858 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.555 -2.038 -1.760 1.00 0.00 H new ATOM 682 N ASP A 41 13.190 -2.662 4.136 1.00 0.00 N ATOM 683 CA ASP A 41 13.324 -3.838 4.991 1.00 0.00 C ATOM 684 C ASP A 41 12.010 -4.146 5.704 1.00 0.00 C ATOM 685 O ASP A 41 11.595 -5.302 5.790 1.00 0.00 O ATOM 686 CB ASP A 41 14.439 -3.621 6.017 1.00 0.00 C ATOM 687 CG ASP A 41 14.636 -4.823 6.919 1.00 0.00 C ATOM 688 OD1 ASP A 41 13.980 -4.883 7.981 1.00 0.00 O ATOM 689 OD2 ASP A 41 15.446 -5.705 6.565 1.00 0.00 O ATOM 0 H ASP A 41 13.848 -1.911 4.346 1.00 0.00 H new ATOM 0 HA ASP A 41 13.580 -4.690 4.361 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.372 -3.405 5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.204 -2.748 6.626 1.00 0.00 H new ATOM 694 N VAL A 42 11.361 -3.104 6.217 1.00 0.00 N ATOM 695 CA VAL A 42 10.091 -3.256 6.922 1.00 0.00 C ATOM 696 C VAL A 42 9.102 -2.176 6.507 1.00 0.00 C ATOM 697 O VAL A 42 8.075 -1.979 7.157 1.00 0.00 O ATOM 698 CB VAL A 42 10.277 -3.184 8.448 1.00 0.00 C ATOM 699 CG1 VAL A 42 10.715 -4.533 8.998 1.00 0.00 C ATOM 700 CG2 VAL A 42 11.278 -2.101 8.812 1.00 0.00 C ATOM 0 H VAL A 42 11.695 -2.142 6.157 1.00 0.00 H new ATOM 0 HA VAL A 42 9.702 -4.238 6.652 1.00 0.00 H new ATOM 0 HB VAL A 42 9.319 -2.928 8.901 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.841 -4.462 10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.957 -5.282 8.770 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.661 -4.823 8.540 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.397 -2.064 9.895 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.239 -2.323 8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.917 -1.137 8.454 1.00 0.00 H new ATOM 710 N ALA A 43 9.419 -1.482 5.420 1.00 0.00 N ATOM 711 CA ALA A 43 8.568 -0.413 4.919 1.00 0.00 C ATOM 712 C ALA A 43 7.123 -0.852 4.781 1.00 0.00 C ATOM 713 O ALA A 43 6.208 -0.051 4.924 1.00 0.00 O ATOM 714 CB ALA A 43 9.077 0.108 3.587 1.00 0.00 C ATOM 0 H ALA A 43 10.262 -1.642 4.868 1.00 0.00 H new ATOM 0 HA ALA A 43 8.607 0.390 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.423 0.906 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.088 0.495 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.085 -0.703 2.858 1.00 0.00 H new ATOM 720 N ASP A 44 6.914 -2.123 4.523 1.00 0.00 N ATOM 721 CA ASP A 44 5.564 -2.621 4.339 1.00 0.00 C ATOM 722 C ASP A 44 4.686 -2.350 5.560 1.00 0.00 C ATOM 723 O ASP A 44 3.603 -1.780 5.429 1.00 0.00 O ATOM 724 CB ASP A 44 5.594 -4.121 4.037 1.00 0.00 C ATOM 725 CG ASP A 44 6.393 -4.908 5.057 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.614 -4.671 5.169 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.798 -5.768 5.740 1.00 0.00 O ATOM 0 H ASP A 44 7.649 -2.825 4.436 1.00 0.00 H new ATOM 0 HA ASP A 44 5.128 -2.088 3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.573 -4.502 4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.021 -4.279 3.047 1.00 0.00 H new ATOM 732 N ARG A 45 5.141 -2.753 6.745 1.00 0.00 N ATOM 733 CA ARG A 45 4.346 -2.546 7.955 1.00 0.00 C ATOM 734 C ARG A 45 4.416 -1.126 8.541 1.00 0.00 C ATOM 735 O ARG A 45 3.413 -0.413 8.587 1.00 0.00 O ATOM 736 CB ARG A 45 4.787 -3.531 9.042 1.00 0.00 C ATOM 737 CG ARG A 45 5.226 -4.886 8.513 1.00 0.00 C ATOM 738 CD ARG A 45 5.554 -5.841 9.649 1.00 0.00 C ATOM 739 NE ARG A 45 5.892 -7.178 9.167 1.00 0.00 N ATOM 740 CZ ARG A 45 6.482 -8.106 9.915 1.00 0.00 C ATOM 741 NH1 ARG A 45 6.824 -7.836 11.169 1.00 0.00 N ATOM 742 NH2 ARG A 45 6.737 -9.304 9.407 1.00 0.00 N ATOM 0 H ARG A 45 6.038 -3.216 6.893 1.00 0.00 H new ATOM 0 HA ARG A 45 3.314 -2.709 7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.609 -3.089 9.605 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.964 -3.676 9.741 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.436 -5.311 7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.100 -4.764 7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.389 -5.443 10.226 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.701 -5.905 10.325 1.00 0.00 H new ATOM 0 HE ARG A 45 5.662 -7.413 8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.634 -6.914 11.562 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.276 -8.550 11.739 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.481 -9.514 8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.190 -10.016 9.981 1.00 0.00 H new ATOM 756 N THR A 46 5.612 -0.732 8.986 1.00 0.00 N ATOM 757 CA THR A 46 5.817 0.560 9.659 1.00 0.00 C ATOM 758 C THR A 46 6.024 1.798 8.774 1.00 0.00 C ATOM 759 O THR A 46 5.275 2.770 8.873 1.00 0.00 O ATOM 760 CB THR A 46 7.011 0.467 10.628 1.00 0.00 C ATOM 761 OG1 THR A 46 6.824 -0.629 11.531 1.00 0.00 O ATOM 762 CG2 THR A 46 7.172 1.757 11.421 1.00 0.00 C ATOM 0 H THR A 46 6.460 -1.291 8.893 1.00 0.00 H new ATOM 0 HA THR A 46 4.863 0.724 10.160 1.00 0.00 H new ATOM 0 HB THR A 46 7.914 0.306 10.039 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.588 -0.683 12.143 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.022 1.665 12.097 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.343 2.587 10.735 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.267 1.944 11.999 1.00 0.00 H new ATOM 770 N GLU A 47 7.039 1.758 7.916 1.00 0.00 N ATOM 771 CA GLU A 47 7.418 2.926 7.110 1.00 0.00 C ATOM 772 C GLU A 47 6.367 3.395 6.102 1.00 0.00 C ATOM 773 O GLU A 47 5.908 4.536 6.174 1.00 0.00 O ATOM 774 CB GLU A 47 8.729 2.632 6.384 1.00 0.00 C ATOM 775 CG GLU A 47 9.824 3.646 6.670 1.00 0.00 C ATOM 776 CD GLU A 47 9.427 5.058 6.281 1.00 0.00 C ATOM 777 OE1 GLU A 47 9.635 5.428 5.107 1.00 0.00 O ATOM 778 OE2 GLU A 47 8.911 5.790 7.150 1.00 0.00 O ATOM 0 H GLU A 47 7.617 0.933 7.757 1.00 0.00 H new ATOM 0 HA GLU A 47 7.523 3.749 7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 47 9.079 1.641 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.542 2.605 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.069 3.621 7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.726 3.364 6.128 1.00 0.00 H new ATOM 785 N LEU A 48 5.988 2.535 5.171 1.00 0.00 N ATOM 786 CA LEU A 48 5.015 2.908 4.145 1.00 0.00 C ATOM 787 C LEU A 48 3.690 3.341 4.750 1.00 0.00 C ATOM 788 O LEU A 48 3.131 4.363 4.360 1.00 0.00 O ATOM 789 CB LEU A 48 4.776 1.753 3.172 1.00 0.00 C ATOM 790 CG LEU A 48 5.951 1.426 2.248 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.625 0.223 1.379 1.00 0.00 C ATOM 792 CD2 LEU A 48 6.302 2.629 1.385 1.00 0.00 C ATOM 0 H LEU A 48 6.334 1.578 5.100 1.00 0.00 H new ATOM 0 HA LEU A 48 5.438 3.754 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.527 0.861 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.907 1.990 2.558 1.00 0.00 H new ATOM 0 HG LEU A 48 6.816 1.181 2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.471 0.004 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.423 -0.640 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.747 0.440 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.140 2.378 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.440 2.905 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.578 3.467 2.025 1.00 0.00 H new ATOM 804 N ALA A 49 3.200 2.569 5.705 1.00 0.00 N ATOM 805 CA ALA A 49 1.919 2.867 6.339 1.00 0.00 C ATOM 806 C ALA A 49 1.853 4.303 6.859 1.00 0.00 C ATOM 807 O ALA A 49 0.961 5.060 6.490 1.00 0.00 O ATOM 808 CB ALA A 49 1.658 1.888 7.472 1.00 0.00 C ATOM 0 H ALA A 49 3.665 1.733 6.060 1.00 0.00 H new ATOM 0 HA ALA A 49 1.145 2.761 5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.700 2.118 7.939 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.634 0.872 7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.452 1.970 8.214 1.00 0.00 H new ATOM 814 N ASP A 50 2.804 4.673 7.703 1.00 0.00 N ATOM 815 CA ASP A 50 2.838 6.016 8.280 1.00 0.00 C ATOM 816 C ASP A 50 3.161 7.096 7.244 1.00 0.00 C ATOM 817 O ASP A 50 2.666 8.218 7.337 1.00 0.00 O ATOM 818 CB ASP A 50 3.856 6.074 9.419 1.00 0.00 C ATOM 819 CG ASP A 50 3.427 5.251 10.618 1.00 0.00 C ATOM 820 OD1 ASP A 50 2.632 5.761 11.434 1.00 0.00 O ATOM 821 OD2 ASP A 50 3.885 4.096 10.740 1.00 0.00 O ATOM 0 H ASP A 50 3.565 4.065 8.006 1.00 0.00 H new ATOM 0 HA ASP A 50 1.838 6.221 8.662 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.820 5.714 9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.997 7.111 9.725 1.00 0.00 H new ATOM 826 N HIS A 51 3.989 6.755 6.263 1.00 0.00 N ATOM 827 CA HIS A 51 4.418 7.719 5.247 1.00 0.00 C ATOM 828 C HIS A 51 3.309 8.128 4.270 1.00 0.00 C ATOM 829 O HIS A 51 2.983 9.311 4.162 1.00 0.00 O ATOM 830 CB HIS A 51 5.599 7.151 4.460 1.00 0.00 C ATOM 831 CG HIS A 51 6.162 8.109 3.454 1.00 0.00 C ATOM 832 ND1 HIS A 51 5.539 8.426 2.267 1.00 0.00 N ATOM 833 CD2 HIS A 51 7.311 8.829 3.480 1.00 0.00 C ATOM 834 CE1 HIS A 51 6.313 9.308 1.622 1.00 0.00 C ATOM 835 NE2 HIS A 51 7.400 9.588 2.316 1.00 0.00 N ATOM 0 H HIS A 51 4.378 5.819 6.147 1.00 0.00 H new ATOM 0 HA HIS A 51 4.706 8.620 5.788 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.386 6.864 5.157 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.281 6.243 3.947 1.00 0.00 H new ATOM 0 HD1 HIS A 51 4.648 8.055 1.938 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.040 8.816 4.276 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.078 9.735 0.658 1.00 0.00 H new ATOM 843 N LEU A 52 2.733 7.160 3.561 1.00 0.00 N ATOM 844 CA LEU A 52 1.704 7.458 2.560 1.00 0.00 C ATOM 845 C LEU A 52 0.430 8.048 3.167 1.00 0.00 C ATOM 846 O LEU A 52 -0.233 8.866 2.530 1.00 0.00 O ATOM 847 CB LEU A 52 1.381 6.214 1.727 1.00 0.00 C ATOM 848 CG LEU A 52 0.915 4.990 2.513 1.00 0.00 C ATOM 849 CD1 LEU A 52 -0.600 4.949 2.590 1.00 0.00 C ATOM 850 CD2 LEU A 52 1.452 3.719 1.877 1.00 0.00 C ATOM 0 H LEU A 52 2.957 6.170 3.657 1.00 0.00 H new ATOM 0 HA LEU A 52 2.121 8.225 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.607 6.474 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.269 5.940 1.158 1.00 0.00 H new ATOM 0 HG LEU A 52 1.306 5.062 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.912 4.070 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.963 5.848 3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.014 4.900 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.112 2.855 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.088 3.643 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.542 3.746 1.874 1.00 0.00 H new ATOM 862 N ILE A 53 0.080 7.643 4.384 1.00 0.00 N ATOM 863 CA ILE A 53 -1.125 8.169 5.027 1.00 0.00 C ATOM 864 C ILE A 53 -1.036 9.685 5.192 1.00 0.00 C ATOM 865 O ILE A 53 -2.043 10.388 5.101 1.00 0.00 O ATOM 866 CB ILE A 53 -1.387 7.513 6.405 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.848 6.056 6.254 1.00 0.00 C ATOM 868 CG2 ILE A 53 -2.418 8.309 7.196 1.00 0.00 C ATOM 869 CD1 ILE A 53 -2.826 5.819 5.123 1.00 0.00 C ATOM 0 H ILE A 53 0.601 6.964 4.939 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.961 7.923 4.372 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.445 7.516 6.953 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.972 5.426 6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.309 5.736 7.188 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.586 7.830 8.160 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.051 9.323 7.354 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.355 8.344 6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.097 4.764 5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.722 6.419 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.365 6.104 4.177 1.00 0.00 H new ATOM 881 N GLN A 54 0.171 10.185 5.428 1.00 0.00 N ATOM 882 CA GLN A 54 0.384 11.617 5.603 1.00 0.00 C ATOM 883 C GLN A 54 0.224 12.362 4.281 1.00 0.00 C ATOM 884 O GLN A 54 -0.122 13.543 4.260 1.00 0.00 O ATOM 885 CB GLN A 54 1.774 11.880 6.182 1.00 0.00 C ATOM 886 CG GLN A 54 1.974 11.296 7.571 1.00 0.00 C ATOM 887 CD GLN A 54 1.033 11.896 8.598 1.00 0.00 C ATOM 888 OE1 GLN A 54 0.620 13.049 8.481 1.00 0.00 O ATOM 889 NE2 GLN A 54 0.693 11.112 9.614 1.00 0.00 N ATOM 0 H GLN A 54 1.017 9.620 5.503 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.370 11.985 6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.524 11.462 5.510 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.945 12.956 6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.823 10.217 7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.004 11.463 7.886 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.060 10.162 9.670 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.065 11.460 10.338 1.00 0.00 H new ATOM 898 N SER A 55 0.483 11.664 3.179 1.00 0.00 N ATOM 899 CA SER A 55 0.386 12.258 1.850 1.00 0.00 C ATOM 900 C SER A 55 -1.011 12.812 1.569 1.00 0.00 C ATOM 901 O SER A 55 -1.164 13.997 1.273 1.00 0.00 O ATOM 902 CB SER A 55 0.756 11.228 0.781 1.00 0.00 C ATOM 903 OG SER A 55 0.678 11.791 -0.518 1.00 0.00 O ATOM 0 H SER A 55 0.763 10.683 3.181 1.00 0.00 H new ATOM 0 HA SER A 55 1.088 13.091 1.817 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.766 10.859 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.086 10.371 0.850 1.00 0.00 H new ATOM 0 HG SER A 55 0.921 11.113 -1.183 1.00 0.00 H new ATOM 909 N ALA A 56 -2.029 11.957 1.663 1.00 0.00 N ATOM 910 CA ALA A 56 -3.401 12.384 1.397 1.00 0.00 C ATOM 911 C ALA A 56 -4.328 12.125 2.582 1.00 0.00 C ATOM 912 O ALA A 56 -5.240 12.908 2.845 1.00 0.00 O ATOM 913 CB ALA A 56 -3.933 11.687 0.153 1.00 0.00 C ATOM 0 H ALA A 56 -1.931 10.974 1.919 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.380 13.461 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.956 12.012 -0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.307 11.941 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.918 10.608 0.306 1.00 0.00 H new ATOM 919 N GLY A 57 -4.092 11.029 3.296 1.00 0.00 N ATOM 920 CA GLY A 57 -4.927 10.695 4.438 1.00 0.00 C ATOM 921 C GLY A 57 -4.954 9.207 4.721 1.00 0.00 C ATOM 922 O GLY A 57 -4.423 8.413 3.945 1.00 0.00 O ATOM 0 H GLY A 57 -3.340 10.367 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.561 11.223 5.319 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.943 11.046 4.256 1.00 0.00 H new ATOM 926 N ALA A 58 -5.573 8.825 5.834 1.00 0.00 N ATOM 927 CA ALA A 58 -5.662 7.421 6.212 1.00 0.00 C ATOM 928 C ALA A 58 -6.417 6.607 5.165 1.00 0.00 C ATOM 929 O ALA A 58 -5.829 5.796 4.453 1.00 0.00 O ATOM 930 CB ALA A 58 -6.327 7.281 7.571 1.00 0.00 C ATOM 0 H ALA A 58 -6.019 9.468 6.488 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.647 7.027 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.386 6.226 7.840 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.741 7.814 8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.332 7.702 7.530 1.00 0.00 H new ATOM 936 N ALA A 59 -7.721 6.838 5.071 1.00 0.00 N ATOM 937 CA ALA A 59 -8.563 6.121 4.118 1.00 0.00 C ATOM 938 C ALA A 59 -8.253 6.506 2.672 1.00 0.00 C ATOM 939 O ALA A 59 -8.359 5.679 1.767 1.00 0.00 O ATOM 940 CB ALA A 59 -10.031 6.374 4.426 1.00 0.00 C ATOM 0 H ALA A 59 -8.220 7.518 5.644 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.346 5.058 4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.651 5.835 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.256 6.027 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.239 7.442 4.355 1.00 0.00 H new ATOM 946 N SER A 60 -7.870 7.761 2.464 1.00 0.00 N ATOM 947 CA SER A 60 -7.573 8.265 1.124 1.00 0.00 C ATOM 948 C SER A 60 -6.337 7.607 0.507 1.00 0.00 C ATOM 949 O SER A 60 -6.365 7.188 -0.650 1.00 0.00 O ATOM 950 CB SER A 60 -7.378 9.782 1.167 1.00 0.00 C ATOM 951 OG SER A 60 -7.094 10.297 -0.122 1.00 0.00 O ATOM 0 H SER A 60 -7.757 8.451 3.207 1.00 0.00 H new ATOM 0 HA SER A 60 -8.426 8.013 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.277 10.256 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.563 10.028 1.848 1.00 0.00 H new ATOM 0 HG SER A 60 -7.133 11.276 -0.099 1.00 0.00 H new ATOM 957 N ALA A 61 -5.256 7.525 1.273 1.00 0.00 N ATOM 958 CA ALA A 61 -4.012 6.942 0.776 1.00 0.00 C ATOM 959 C ALA A 61 -4.102 5.426 0.604 1.00 0.00 C ATOM 960 O ALA A 61 -3.536 4.869 -0.336 1.00 0.00 O ATOM 961 CB ALA A 61 -2.859 7.298 1.699 1.00 0.00 C ATOM 0 H ALA A 61 -5.214 7.853 2.238 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.833 7.366 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.938 6.857 1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.751 8.382 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.060 6.911 2.698 1.00 0.00 H new ATOM 967 N VAL A 62 -4.808 4.758 1.512 1.00 0.00 N ATOM 968 CA VAL A 62 -4.942 3.304 1.450 1.00 0.00 C ATOM 969 C VAL A 62 -5.778 2.856 0.252 1.00 0.00 C ATOM 970 O VAL A 62 -5.526 1.798 -0.325 1.00 0.00 O ATOM 971 CB VAL A 62 -5.564 2.738 2.743 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.768 1.234 2.632 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.692 3.066 3.943 1.00 0.00 C ATOM 0 H VAL A 62 -5.294 5.196 2.295 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.932 2.910 1.336 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.538 3.206 2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.208 0.857 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.435 1.018 1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.807 0.748 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.147 2.659 4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.704 2.628 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.599 4.148 4.040 1.00 0.00 H new ATOM 983 N THR A 63 -6.767 3.660 -0.126 1.00 0.00 N ATOM 984 CA THR A 63 -7.633 3.317 -1.251 1.00 0.00 C ATOM 985 C THR A 63 -6.976 3.642 -2.592 1.00 0.00 C ATOM 986 O THR A 63 -7.095 2.876 -3.549 1.00 0.00 O ATOM 987 CB THR A 63 -8.992 4.042 -1.163 1.00 0.00 C ATOM 988 OG1 THR A 63 -9.852 3.600 -2.219 1.00 0.00 O ATOM 989 CG2 THR A 63 -8.816 5.551 -1.249 1.00 0.00 C ATOM 0 H THR A 63 -6.989 4.547 0.326 1.00 0.00 H new ATOM 0 HA THR A 63 -7.799 2.241 -1.192 1.00 0.00 H new ATOM 0 HB THR A 63 -9.440 3.801 -0.199 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.713 4.064 -2.155 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.790 6.035 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.186 5.891 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.345 5.809 -2.198 1.00 0.00 H new ATOM 997 N LYS A 64 -6.289 4.779 -2.660 1.00 0.00 N ATOM 998 CA LYS A 64 -5.626 5.196 -3.892 1.00 0.00 C ATOM 999 C LYS A 64 -4.404 4.327 -4.178 1.00 0.00 C ATOM 1000 O LYS A 64 -4.061 4.082 -5.335 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.222 6.673 -3.810 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.046 6.945 -2.882 1.00 0.00 C ATOM 1003 CD LYS A 64 -2.724 6.933 -3.637 1.00 0.00 C ATOM 1004 CE LYS A 64 -1.540 7.078 -2.695 1.00 0.00 C ATOM 1005 NZ LYS A 64 -1.476 8.435 -2.086 1.00 0.00 N ATOM 0 H LYS A 64 -6.177 5.426 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.331 5.071 -4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.971 7.026 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.080 7.255 -3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.180 7.912 -2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.022 6.193 -2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.632 6.002 -4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.712 7.745 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.610 6.329 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.617 6.881 -3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.645 8.497 -1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.400 9.150 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.338 8.607 -1.530 1.00 0.00 H new ATOM 1019 N ALA A 65 -3.752 3.866 -3.114 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.563 3.029 -3.241 1.00 0.00 C ATOM 1021 C ALA A 65 -2.832 1.811 -4.116 1.00 0.00 C ATOM 1022 O ALA A 65 -1.939 1.323 -4.808 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.080 2.591 -1.867 1.00 0.00 C ATOM 0 H ALA A 65 -4.028 4.059 -2.151 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.785 3.622 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.193 1.967 -1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.835 3.470 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.865 2.022 -1.370 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.066 1.326 -4.080 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.455 0.160 -4.863 1.00 0.00 C ATOM 1031 C ILE A 66 -4.410 0.451 -6.361 1.00 0.00 C ATOM 1032 O ILE A 66 -3.927 -0.366 -7.143 1.00 0.00 O ATOM 1033 CB ILE A 66 -5.873 -0.316 -4.489 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -5.945 -0.667 -2.999 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.280 -1.508 -5.343 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.067 -1.835 -2.599 1.00 0.00 C ATOM 0 H ILE A 66 -4.817 1.723 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.736 -0.626 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.572 0.497 -4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.657 0.208 -2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.978 -0.897 -2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.284 -1.830 -5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.269 -1.222 -6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.579 -2.327 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.174 -2.021 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.368 -2.724 -3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.026 -1.602 -2.825 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.912 1.619 -6.752 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.943 2.009 -8.159 1.00 0.00 C ATOM 1050 C ASN A 67 -3.543 2.044 -8.765 1.00 0.00 C ATOM 1051 O ASN A 67 -3.342 1.629 -9.907 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.606 3.379 -8.315 1.00 0.00 C ATOM 1053 CG ASN A 67 -5.890 3.718 -9.767 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -6.962 3.413 -10.288 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -4.926 4.350 -10.426 1.00 0.00 N ATOM 0 H ASN A 67 -5.303 2.312 -6.114 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.525 1.259 -8.694 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.539 3.395 -7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.960 4.144 -7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.059 4.603 -11.405 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.053 4.583 -9.953 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.581 2.547 -8.000 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.204 2.645 -8.469 1.00 0.00 C ATOM 1064 C ILE A 68 -0.505 1.289 -8.455 1.00 0.00 C ATOM 1065 O ILE A 68 0.068 0.863 -9.456 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.389 3.627 -7.603 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.067 4.999 -7.562 1.00 0.00 C ATOM 1068 CG2 ILE A 68 1.033 3.749 -8.135 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.515 5.914 -6.490 1.00 0.00 C ATOM 0 H ILE A 68 -2.729 2.893 -7.052 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.252 3.012 -9.494 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.346 3.236 -6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.953 5.481 -8.533 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.136 4.862 -7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.596 4.446 -7.513 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.515 2.772 -8.112 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.007 4.117 -9.161 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.042 6.868 -6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.653 5.453 -5.512 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.548 6.081 -6.666 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.565 0.618 -7.312 1.00 0.00 N ATOM 1082 CA PHE A 69 0.082 -0.678 -7.139 1.00 0.00 C ATOM 1083 C PHE A 69 -0.431 -1.724 -8.129 1.00 0.00 C ATOM 1084 O PHE A 69 0.297 -2.649 -8.489 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.127 -1.176 -5.709 1.00 0.00 C ATOM 1086 CG PHE A 69 0.623 -2.438 -5.397 1.00 0.00 C ATOM 1087 CD1 PHE A 69 2.003 -2.422 -5.265 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.049 -3.637 -5.232 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.697 -3.580 -4.976 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.640 -4.798 -4.943 1.00 0.00 C ATOM 1091 CZ PHE A 69 2.016 -4.770 -4.815 1.00 0.00 C ATOM 0 H PHE A 69 -1.059 0.952 -6.485 1.00 0.00 H new ATOM 0 HA PHE A 69 1.145 -0.537 -7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.184 -0.397 -5.013 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.191 -1.345 -5.544 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.541 -1.494 -5.390 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.124 -3.665 -5.330 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.772 -3.555 -4.876 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.104 -5.727 -4.817 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.557 -5.677 -4.590 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.676 -1.581 -8.570 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.257 -2.542 -9.502 1.00 0.00 C ATOM 1103 C GLN A 70 -1.813 -2.271 -10.941 1.00 0.00 C ATOM 1104 O GLN A 70 -1.268 -3.147 -11.609 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.792 -2.535 -9.400 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.458 -1.273 -9.930 1.00 0.00 C ATOM 1107 CD GLN A 70 -5.973 -1.331 -9.839 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.636 -0.306 -9.678 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.530 -2.532 -9.948 1.00 0.00 N ATOM 0 H GLN A 70 -2.297 -0.818 -8.301 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.893 -3.531 -9.225 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.183 -3.393 -9.947 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.074 -2.667 -8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.096 -0.412 -9.368 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.165 -1.121 -10.969 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.944 -3.356 -10.081 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.544 -2.630 -9.899 1.00 0.00 H new ATOM 1118 N LYS A 71 -2.024 -1.047 -11.400 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.680 -0.661 -12.761 1.00 0.00 C ATOM 1120 C LYS A 71 -0.172 -0.641 -13.004 1.00 0.00 C ATOM 1121 O LYS A 71 0.267 -0.476 -14.142 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.263 0.719 -13.072 1.00 0.00 C ATOM 1123 CG LYS A 71 -3.782 0.752 -13.075 1.00 0.00 C ATOM 1124 CD LYS A 71 -4.311 2.152 -13.344 1.00 0.00 C ATOM 1125 CE LYS A 71 -4.005 2.606 -14.764 1.00 0.00 C ATOM 1126 NZ LYS A 71 -4.698 1.762 -15.777 1.00 0.00 N ATOM 0 H LYS A 71 -2.436 -0.297 -10.844 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.108 -1.413 -13.424 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.894 1.434 -12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.899 1.047 -14.046 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.160 0.068 -13.834 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.156 0.400 -12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.388 2.172 -13.180 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.868 2.851 -12.635 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.310 3.645 -14.887 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.929 2.568 -14.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.678 2.241 -16.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.216 0.844 -15.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.685 1.611 -15.487 1.00 0.00 H new ATOM 1140 N LEU A 72 0.625 -0.811 -11.951 1.00 0.00 N ATOM 1141 CA LEU A 72 2.075 -0.746 -12.109 1.00 0.00 C ATOM 1142 C LEU A 72 2.779 -2.100 -12.112 1.00 0.00 C ATOM 1143 O LEU A 72 3.698 -2.314 -12.904 1.00 0.00 O ATOM 1144 CB LEU A 72 2.654 0.060 -10.956 1.00 0.00 C ATOM 1145 CG LEU A 72 3.104 1.479 -11.291 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.217 1.462 -12.328 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.930 2.316 -11.775 1.00 0.00 C ATOM 0 H LEU A 72 0.301 -0.991 -11.001 1.00 0.00 H new ATOM 0 HA LEU A 72 2.246 -0.292 -13.085 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.906 0.115 -10.165 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.507 -0.484 -10.551 1.00 0.00 H new ATOM 0 HG LEU A 72 3.495 1.935 -10.381 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.522 2.484 -12.551 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.070 0.906 -11.938 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.858 0.983 -13.239 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.273 3.324 -12.008 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.504 1.862 -12.669 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.170 2.363 -10.995 1.00 0.00 H new ATOM 1159 N ASN A 73 2.369 -3.010 -11.241 1.00 0.00 N ATOM 1160 CA ASN A 73 3.042 -4.306 -11.169 1.00 0.00 C ATOM 1161 C ASN A 73 2.124 -5.515 -11.333 1.00 0.00 C ATOM 1162 O ASN A 73 2.394 -6.397 -12.149 1.00 0.00 O ATOM 1163 CB ASN A 73 3.802 -4.418 -9.847 1.00 0.00 C ATOM 1164 CG ASN A 73 2.975 -3.961 -8.661 1.00 0.00 C ATOM 1165 OD1 ASN A 73 2.225 -4.883 -8.070 1.00 0.00 O flip ATOM 1166 ND2 ASN A 73 3.010 -2.791 -8.281 1.00 0.00 N flip ATOM 0 H ASN A 73 1.595 -2.885 -10.589 1.00 0.00 H new ATOM 0 HA ASN A 73 3.721 -4.332 -12.021 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.109 -5.453 -9.695 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.712 -3.821 -9.903 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.601 -2.115 -8.765 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.448 -2.497 -7.482 1.00 0.00 H new ATOM 1173 N TYR A 74 1.044 -5.558 -10.564 1.00 0.00 N ATOM 1174 CA TYR A 74 0.149 -6.719 -10.591 1.00 0.00 C ATOM 1175 C TYR A 74 -1.334 -6.362 -10.569 1.00 0.00 C ATOM 1176 O TYR A 74 -2.038 -6.695 -9.616 1.00 0.00 O ATOM 1177 CB TYR A 74 0.478 -7.661 -9.431 1.00 0.00 C ATOM 1178 CG TYR A 74 1.762 -8.437 -9.633 1.00 0.00 C ATOM 1179 CD1 TYR A 74 1.793 -9.556 -10.457 1.00 0.00 C ATOM 1180 CD2 TYR A 74 2.940 -8.052 -9.004 1.00 0.00 C ATOM 1181 CE1 TYR A 74 2.962 -10.269 -10.649 1.00 0.00 C ATOM 1182 CE2 TYR A 74 4.113 -8.759 -9.193 1.00 0.00 C ATOM 1183 CZ TYR A 74 4.118 -9.866 -10.014 1.00 0.00 C ATOM 1184 OH TYR A 74 5.283 -10.573 -10.203 1.00 0.00 O ATOM 0 H TYR A 74 0.765 -4.817 -9.921 1.00 0.00 H new ATOM 0 HA TYR A 74 0.326 -7.214 -11.546 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.554 -7.081 -8.511 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.345 -8.363 -9.298 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.889 -9.874 -10.955 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.939 -7.187 -8.357 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.970 -11.136 -11.292 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.021 -8.445 -8.700 1.00 0.00 H new ATOM 0 HH TYR A 74 6.005 -10.158 -9.686 1.00 0.00 H new ATOM 1194 N MET A 75 -1.806 -5.675 -11.604 1.00 0.00 N ATOM 1195 CA MET A 75 -3.215 -5.299 -11.685 1.00 0.00 C ATOM 1196 C MET A 75 -4.120 -6.513 -11.463 1.00 0.00 C ATOM 1197 O MET A 75 -5.308 -6.369 -11.174 1.00 0.00 O ATOM 1198 CB MET A 75 -3.518 -4.668 -13.047 1.00 0.00 C ATOM 1199 CG MET A 75 -3.228 -5.589 -14.223 1.00 0.00 C ATOM 1200 SD MET A 75 -3.473 -4.781 -15.816 1.00 0.00 S ATOM 1201 CE MET A 75 -5.206 -4.339 -15.713 1.00 0.00 C ATOM 0 H MET A 75 -1.239 -5.368 -12.394 1.00 0.00 H new ATOM 0 HA MET A 75 -3.415 -4.571 -10.899 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.567 -4.374 -13.077 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.929 -3.757 -13.155 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.200 -5.945 -14.155 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.874 -6.465 -14.161 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.588 -4.129 -16.712 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.767 -5.165 -15.276 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.319 -3.453 -15.088 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.546 -7.706 -11.601 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.288 -8.948 -11.406 1.00 0.00 C ATOM 1213 C HIS A 76 -4.413 -9.291 -9.920 1.00 0.00 C ATOM 1214 O HIS A 76 -5.508 -9.553 -9.425 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.599 -10.096 -12.151 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.167 -11.446 -11.839 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -3.546 -12.371 -11.027 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -5.325 -12.026 -12.247 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -4.327 -13.458 -10.971 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -5.419 -13.300 -11.693 1.00 0.00 N ATOM 0 H HIS A 76 -2.565 -7.838 -11.848 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.291 -8.808 -11.808 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.676 -9.919 -13.224 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.538 -10.093 -11.903 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.057 -11.571 -12.898 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.092 -14.349 -10.407 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.176 -13.972 -11.819 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.281 -9.286 -9.217 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.258 -9.608 -7.791 1.00 0.00 C ATOM 1230 C ILE A 77 -4.026 -8.581 -6.962 1.00 0.00 C ATOM 1231 O ILE A 77 -4.867 -8.943 -6.139 1.00 0.00 O ATOM 1232 CB ILE A 77 -1.809 -9.696 -7.260 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -1.073 -10.872 -7.910 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -1.803 -9.830 -5.741 1.00 0.00 C ATOM 1235 CD1 ILE A 77 0.377 -10.995 -7.487 1.00 0.00 C ATOM 0 H ILE A 77 -2.368 -9.062 -9.612 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.744 -10.578 -7.688 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.287 -8.776 -7.523 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.594 -11.797 -7.661 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.118 -10.762 -8.994 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.775 -9.891 -5.385 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.290 -8.962 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.340 -10.734 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.831 -11.850 -7.988 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.914 -10.087 -7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.430 -11.137 -6.408 1.00 0.00 H new ATOM 1247 N ALA A 78 -3.729 -7.305 -7.180 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.380 -6.227 -6.441 1.00 0.00 C ATOM 1249 C ALA A 78 -5.900 -6.310 -6.542 1.00 0.00 C ATOM 1250 O ALA A 78 -6.611 -5.911 -5.621 1.00 0.00 O ATOM 1251 CB ALA A 78 -3.888 -4.876 -6.935 1.00 0.00 C ATOM 0 H ALA A 78 -3.040 -6.990 -7.864 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.114 -6.339 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.382 -4.082 -6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.810 -4.806 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.119 -4.770 -7.995 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.393 -6.826 -7.665 1.00 0.00 N ATOM 1258 CA ASN A 79 -7.831 -6.956 -7.880 1.00 0.00 C ATOM 1259 C ASN A 79 -8.492 -7.695 -6.719 1.00 0.00 C ATOM 1260 O ASN A 79 -9.623 -7.393 -6.342 1.00 0.00 O ATOM 1261 CB ASN A 79 -8.106 -7.693 -9.192 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.589 -7.874 -9.461 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -10.392 -6.901 -9.043 1.00 0.00 O flip ATOM 1264 ND2 ASN A 79 -10.007 -8.874 -10.043 1.00 0.00 N flip ATOM 0 H ASN A 79 -5.819 -7.160 -8.439 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.257 -5.954 -7.937 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.656 -7.140 -10.016 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.624 -8.670 -9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.355 -9.597 -10.347 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.006 -8.980 -10.222 1.00 0.00 H new ATOM 1271 N ALA A 80 -7.784 -8.674 -6.167 1.00 0.00 N ATOM 1272 CA ALA A 80 -8.296 -9.456 -5.046 1.00 0.00 C ATOM 1273 C ALA A 80 -8.302 -8.646 -3.750 1.00 0.00 C ATOM 1274 O ALA A 80 -9.181 -8.815 -2.905 1.00 0.00 O ATOM 1275 CB ALA A 80 -7.473 -10.723 -4.872 1.00 0.00 C ATOM 0 H ALA A 80 -6.851 -8.946 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.328 -9.726 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.864 -11.298 -4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.530 -11.322 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.434 -10.458 -4.677 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.313 -7.768 -3.601 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.185 -6.945 -2.399 1.00 0.00 C ATOM 1283 C LEU A 81 -8.255 -5.856 -2.331 1.00 0.00 C ATOM 1284 O LEU A 81 -8.883 -5.660 -1.290 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.793 -6.301 -2.337 1.00 0.00 C ATOM 1286 CG LEU A 81 -4.629 -7.249 -2.013 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -4.844 -7.936 -0.672 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -4.446 -8.279 -3.119 1.00 0.00 C ATOM 0 H LEU A 81 -6.587 -7.607 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.323 -7.606 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.592 -5.824 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.813 -5.511 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.719 -6.652 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.006 -8.602 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.913 -7.185 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.768 -8.514 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.616 -8.939 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.358 -8.866 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.233 -7.770 -4.059 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.456 -5.148 -3.439 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.439 -4.067 -3.490 1.00 0.00 C ATOM 1302 C GLU A 82 -10.824 -4.541 -3.055 1.00 0.00 C ATOM 1303 O GLU A 82 -11.637 -3.750 -2.577 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.510 -3.473 -4.899 1.00 0.00 C ATOM 1305 CG GLU A 82 -9.961 -4.461 -5.961 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.061 -3.833 -7.337 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -9.022 -3.742 -8.025 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -11.178 -3.431 -7.728 1.00 0.00 O ATOM 0 H GLU A 82 -7.953 -5.302 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.112 -3.297 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.195 -2.625 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.527 -3.087 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.260 -5.295 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.931 -4.871 -5.682 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.090 -5.833 -3.222 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.380 -6.403 -2.843 1.00 0.00 C ATOM 1317 C GLU A 83 -12.624 -6.256 -1.344 1.00 0.00 C ATOM 1318 O GLU A 83 -13.752 -6.039 -0.907 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.442 -7.882 -3.234 1.00 0.00 C ATOM 1320 CG GLU A 83 -12.205 -8.131 -4.714 1.00 0.00 C ATOM 1321 CD GLU A 83 -13.191 -7.392 -5.599 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -14.264 -7.960 -5.894 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -12.890 -6.247 -5.995 1.00 0.00 O ATOM 0 H GLU A 83 -10.431 -6.504 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.158 -5.857 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.698 -8.433 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.418 -8.281 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.191 -7.824 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.275 -9.200 -4.914 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.553 -6.375 -0.569 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.625 -6.264 0.887 1.00 0.00 C ATOM 1332 C LYS A 84 -12.230 -4.929 1.324 1.00 0.00 C ATOM 1333 O LYS A 84 -12.828 -4.832 2.396 1.00 0.00 O ATOM 1334 CB LYS A 84 -10.230 -6.427 1.492 1.00 0.00 C ATOM 1335 CG LYS A 84 -10.229 -6.497 3.011 1.00 0.00 C ATOM 1336 CD LYS A 84 -8.815 -6.566 3.573 1.00 0.00 C ATOM 1337 CE LYS A 84 -8.199 -7.948 3.396 1.00 0.00 C ATOM 1338 NZ LYS A 84 -7.832 -8.224 1.979 1.00 0.00 N ATOM 0 H LYS A 84 -10.614 -6.550 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.277 -7.059 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.775 -7.334 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.606 -5.592 1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.739 -5.623 3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -10.792 -7.372 3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.190 -5.824 3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.833 -6.310 4.632 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.311 -8.031 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.904 -8.705 3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.905 -8.695 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.550 -8.841 1.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.784 -7.329 1.452 1.00 0.00 H new ATOM 1352 N LYS A 85 -12.065 -3.905 0.491 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.571 -2.567 0.797 1.00 0.00 C ATOM 1354 C LYS A 85 -14.045 -2.586 1.204 1.00 0.00 C ATOM 1355 O LYS A 85 -14.465 -1.798 2.053 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.384 -1.643 -0.409 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.909 -0.231 -0.190 1.00 0.00 C ATOM 1358 CD LYS A 85 -12.156 0.480 0.924 1.00 0.00 C ATOM 1359 CE LYS A 85 -12.686 1.887 1.146 1.00 0.00 C ATOM 1360 NZ LYS A 85 -12.535 2.737 -0.066 1.00 0.00 N ATOM 0 H LYS A 85 -11.583 -3.975 -0.405 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.996 -2.192 1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.323 -1.592 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.890 -2.079 -1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.817 0.340 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -13.970 -0.271 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.244 -0.093 1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -11.095 0.525 0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.738 1.838 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.156 2.347 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.716 3.731 0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.568 2.643 -0.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.216 2.432 -0.791 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.828 -3.479 0.605 1.00 0.00 N ATOM 1375 CA LYS A 86 -16.250 -3.570 0.923 1.00 0.00 C ATOM 1376 C LYS A 86 -16.459 -3.825 2.415 1.00 0.00 C ATOM 1377 O LYS A 86 -17.387 -3.289 3.021 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.912 -4.676 0.100 1.00 0.00 C ATOM 1379 CG LYS A 86 -16.427 -6.073 0.450 1.00 0.00 C ATOM 1380 CD LYS A 86 -16.851 -7.093 -0.595 1.00 0.00 C ATOM 1381 CE LYS A 86 -18.328 -7.436 -0.481 1.00 0.00 C ATOM 1382 NZ LYS A 86 -19.203 -6.340 -0.983 1.00 0.00 N ATOM 0 H LYS A 86 -14.506 -4.145 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.715 -2.618 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.991 -4.629 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.725 -4.491 -0.958 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.340 -6.070 0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.823 -6.363 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.645 -6.701 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.257 -8.000 -0.480 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.532 -8.347 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.571 -7.644 0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.982 -6.745 -1.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.593 -5.811 -0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -18.646 -5.698 -1.582 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.589 -4.645 2.999 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.676 -4.966 4.419 1.00 0.00 C ATOM 1398 C GLU A 87 -15.133 -3.820 5.268 1.00 0.00 C ATOM 1399 O GLU A 87 -15.561 -3.617 6.402 1.00 0.00 O ATOM 1400 CB GLU A 87 -14.902 -6.252 4.722 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.027 -6.709 6.168 1.00 0.00 C ATOM 1402 CD GLU A 87 -14.254 -7.985 6.445 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -14.805 -9.078 6.201 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -13.098 -7.889 6.905 1.00 0.00 O ATOM 0 H GLU A 87 -14.817 -5.098 2.511 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.726 -5.116 4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.260 -7.045 4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.849 -6.096 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.666 -5.920 6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -16.079 -6.867 6.406 1.00 0.00 H new ATOM 1411 N ALA A 88 -14.186 -3.074 4.707 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.579 -1.949 5.408 1.00 0.00 C ATOM 1413 C ALA A 88 -14.617 -0.890 5.766 1.00 0.00 C ATOM 1414 O ALA A 88 -14.464 -0.165 6.749 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.473 -1.337 4.565 1.00 0.00 C ATOM 0 H ALA A 88 -13.822 -3.229 3.767 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.151 -2.326 6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.029 -0.498 5.101 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.708 -2.088 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.888 -0.985 3.620 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.671 -0.806 4.957 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.735 0.169 5.180 1.00 0.00 C ATOM 1423 C GLU A 89 -17.262 0.102 6.610 1.00 0.00 C ATOM 1424 O GLU A 89 -17.316 1.114 7.308 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.882 -0.063 4.194 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.468 0.075 2.738 1.00 0.00 C ATOM 1427 CD GLU A 89 -18.637 -0.068 1.784 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -18.966 -1.215 1.417 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -19.223 0.967 1.404 1.00 0.00 O ATOM 0 H GLU A 89 -15.811 -1.402 4.141 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.314 1.161 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.292 -1.060 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.681 0.648 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.998 1.047 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.718 -0.681 2.504 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.650 -1.095 7.043 1.00 0.00 N ATOM 1437 CA ARG A 90 -18.174 -1.284 8.392 1.00 0.00 C ATOM 1438 C ARG A 90 -17.071 -1.135 9.436 1.00 0.00 C ATOM 1439 O ARG A 90 -17.348 -0.950 10.621 1.00 0.00 O ATOM 1440 CB ARG A 90 -18.839 -2.657 8.525 1.00 0.00 C ATOM 1441 CG ARG A 90 -17.894 -3.820 8.273 1.00 0.00 C ATOM 1442 CD ARG A 90 -18.538 -5.149 8.636 1.00 0.00 C ATOM 1443 NE ARG A 90 -18.851 -5.233 10.060 1.00 0.00 N ATOM 1444 CZ ARG A 90 -19.391 -6.302 10.634 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -19.683 -7.373 9.909 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -19.642 -6.301 11.936 1.00 0.00 N ATOM 0 H ARG A 90 -17.612 -1.945 6.481 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.922 -0.511 8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -19.259 -2.752 9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.671 -2.718 7.823 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.601 -3.831 7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.984 -3.684 8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -19.451 -5.280 8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -17.867 -5.964 8.363 1.00 0.00 H new ATOM 0 HE ARG A 90 -18.643 -4.425 10.647 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -19.493 -7.378 8.907 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -20.098 -8.192 10.353 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -19.420 -5.479 12.497 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -20.057 -7.122 12.376 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.820 -1.217 8.988 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.678 -1.090 9.888 1.00 0.00 C ATOM 1462 C LYS A 91 -14.356 0.377 10.156 1.00 0.00 C ATOM 1463 O LYS A 91 -13.778 0.717 11.188 1.00 0.00 O ATOM 1464 CB LYS A 91 -13.450 -1.786 9.296 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.612 -3.289 9.142 1.00 0.00 C ATOM 1466 CD LYS A 91 -12.396 -3.919 8.478 1.00 0.00 C ATOM 1467 CE LYS A 91 -11.154 -3.803 9.350 1.00 0.00 C ATOM 1468 NZ LYS A 91 -11.326 -4.490 10.659 1.00 0.00 N ATOM 0 H LYS A 91 -15.573 -1.370 8.010 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.941 -1.568 10.831 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.233 -1.351 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.588 -1.586 9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.767 -3.741 10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.502 -3.501 8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.598 -4.970 8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.214 -3.435 7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.301 -4.232 8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.927 -2.750 9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.398 -4.610 11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.940 -3.918 11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.761 -5.423 10.507 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.733 1.241 9.218 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.483 2.671 9.349 1.00 0.00 C ATOM 1484 C LEU A 92 -15.692 3.388 9.938 1.00 0.00 C ATOM 1485 O LEU A 92 -15.686 4.611 10.091 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.135 3.273 7.986 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.877 2.706 7.324 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -12.718 3.262 5.918 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -11.646 3.016 8.163 1.00 0.00 C ATOM 0 H LEU A 92 -15.213 0.974 8.358 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.641 2.805 10.028 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.979 3.121 7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.010 4.349 8.104 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.983 1.623 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.818 2.848 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.587 2.989 5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.635 4.348 5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.761 2.605 7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.536 4.096 8.263 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.757 2.569 9.151 1.00 0.00 H new ATOM 1501 N MET A 93 -16.727 2.623 10.266 1.00 0.00 N ATOM 1502 CA MET A 93 -17.945 3.189 10.834 1.00 0.00 C ATOM 1503 C MET A 93 -17.782 3.442 12.331 1.00 0.00 C ATOM 1504 O MET A 93 -18.497 4.257 12.914 1.00 0.00 O ATOM 1505 CB MET A 93 -19.130 2.252 10.593 1.00 0.00 C ATOM 1506 CG MET A 93 -20.477 2.880 10.912 1.00 0.00 C ATOM 1507 SD MET A 93 -21.826 1.683 10.881 1.00 0.00 S ATOM 1508 CE MET A 93 -21.402 0.663 12.290 1.00 0.00 C ATOM 0 H MET A 93 -16.747 1.610 10.149 1.00 0.00 H new ATOM 0 HA MET A 93 -18.136 4.142 10.340 1.00 0.00 H new ATOM 0 HB2 MET A 93 -19.125 1.934 9.550 1.00 0.00 H new ATOM 0 HB3 MET A 93 -19.003 1.356 11.200 1.00 0.00 H new ATOM 0 HG2 MET A 93 -20.432 3.346 11.896 1.00 0.00 H new ATOM 0 HG3 MET A 93 -20.683 3.673 10.193 1.00 0.00 H new ATOM 0 HE1 MET A 93 -22.299 0.172 12.667 1.00 0.00 H new ATOM 0 HE2 MET A 93 -20.676 -0.091 11.988 1.00 0.00 H new ATOM 0 HE3 MET A 93 -20.973 1.286 13.074 1.00 0.00 H new ATOM 1518 N THR A 94 -16.835 2.739 12.946 1.00 0.00 N ATOM 1519 CA THR A 94 -16.581 2.885 14.375 1.00 0.00 C ATOM 1520 C THR A 94 -15.090 2.797 14.685 1.00 0.00 C ATOM 1521 O THR A 94 -14.308 2.289 13.881 1.00 0.00 O ATOM 1522 CB THR A 94 -17.325 1.810 15.189 1.00 0.00 C ATOM 1523 OG1 THR A 94 -17.028 1.954 16.583 1.00 0.00 O ATOM 1524 CG2 THR A 94 -16.937 0.414 14.724 1.00 0.00 C ATOM 0 H THR A 94 -16.232 2.063 12.477 1.00 0.00 H new ATOM 0 HA THR A 94 -16.950 3.870 14.660 1.00 0.00 H new ATOM 0 HB THR A 94 -18.395 1.945 15.032 1.00 0.00 H new ATOM 0 HG1 THR A 94 -17.507 1.267 17.092 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.475 -0.328 15.313 1.00 0.00 H new ATOM 0 HG22 THR A 94 -17.194 0.297 13.671 1.00 0.00 H new ATOM 0 HG23 THR A 94 -15.864 0.272 14.854 1.00 0.00 H new ATOM 1532 N ASN A 95 -14.705 3.295 15.856 1.00 0.00 N ATOM 1533 CA ASN A 95 -13.308 3.271 16.280 1.00 0.00 C ATOM 1534 C ASN A 95 -13.163 2.588 17.635 1.00 0.00 C ATOM 1535 O ASN A 95 -12.916 1.364 17.657 1.00 0.00 O ATOM 1536 CB ASN A 95 -12.748 4.694 16.348 1.00 0.00 C ATOM 1537 CG ASN A 95 -12.629 5.340 14.982 1.00 0.00 C ATOM 1538 OD1 ASN A 95 -12.347 4.530 13.966 1.00 0.00 O flip ATOM 1539 ND2 ASN A 95 -12.783 6.553 14.841 1.00 0.00 N flip ATOM 1540 OXT ASN A 95 -13.299 3.282 18.665 1.00 0.00 O ATOM 0 H ASN A 95 -15.342 3.721 16.530 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.741 2.701 15.544 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -13.393 5.305 16.979 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.767 4.672 16.822 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -12.999 7.137 15.649 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.695 6.974 13.916 1.00 0.00 H new TER 1547 ASN A 95