USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1101 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: C 15 LYS NZ :NH3+ 180:sc= 2.47 (180deg=1.16) USER MOD Set 1.2: C 36 GLN : amide:sc= 0.43 K(o=2.3,f=-7.6!) USER MOD Set 1.3: C 73 GLN : amide:sc= -0.617 K(o=2.3,f=1.7) USER MOD Set 2.1: C 43 LYS NZ :NH3+ -108:sc= -1.82! (180deg=-3.75!) USER MOD Set 2.2: C 57 GLN : amide:sc= -6.74! C(o=-8.6!,f=-23!) USER MOD Set 3.1: C 4 HIS : no HD1:sc= -0.0055 X(o=-0.013,f=0) USER MOD Set 3.2: C 8 HIS : no HD1:sc=-0.00742 X(o=-0.013,f=0) USER MOD Set 4.1: A 15 CYS SG : rot -33:sc= -2.7! USER MOD Set 4.2: A 34 SER OG : rot 94:sc= 0.398 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.204 (180deg=-0.792) USER MOD Single : A 5 SER OG : rot 0:sc= 0.327 USER MOD Single : A 7 HIS : no HE2:sc= 0.551 K(o=0.55,f=-5.7!) USER MOD Single : A -1 GLY N :NH3+ -171:sc= -0.0127 (180deg=-0.133) USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0.94 K(o=0.94,f=-4.8!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.286 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : C 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 6 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : C 7 HIS : no HD1:sc= -0.099 X(o=-0.099,f=-0.034) USER MOD Single : C 9 HIS : no HE2:sc= -0.0754 K(o=-0.075,f=-1.5) USER MOD Single : C 16 MET CE :methyl -136:sc= -0.458 (180deg=-1.41!) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 23 THR OG1 : rot 180:sc= -0.0077 USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 27 GLN : amide:sc= 1 K(o=1,f=-6.8!) USER MOD Single : C 28 THR OG1 : rot 180:sc= -1.11 USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : C 37 MET CE :methyl 159:sc= -0.112 (180deg=-0.573) USER MOD Single : C 38 ASN :FLIP amide:sc= -0.149 F(o=-1.7!,f=-0.15) USER MOD Single : C 40 LYS NZ :NH3+ -142:sc= 1.21 (180deg=1.06) USER MOD Single : C 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 49 SER OG : rot 180:sc= 0.174 USER MOD Single : C 51 SER OG : rot 180:sc= 0 USER MOD Single : C 54 SER OG : rot 180:sc= -0.125 USER MOD Single : C 56 LYS NZ :NH3+ -162:sc= 0.786 (180deg=0.153) USER MOD Single : C 61 TYR OH : rot 180:sc= -0.387 USER MOD Single : C 62 GLN :FLIP amide:sc= 0.613 F(o=-1.8!,f=0.61) USER MOD Single : C 67 GLN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : C 70 LYS NZ :NH3+ 169:sc=-0.00609 (180deg=-0.118) USER MOD Single : C 71 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.12) USER MOD Single : C 75 TYR OH : rot 123:sc= 0.381 USER MOD Single : C 76 ASN : amide:sc= -0.278 K(o=-0.28,f=-1.1) USER MOD Single : C 80 LYS NZ :NH3+ -130:sc= -0.0515 (180deg=-0.216) USER MOD Single : C 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 91 GLN : amide:sc= -0.0239 X(o=-0.024,f=-0.019) USER MOD Single : C 92 THR OG1 : rot 180:sc= 0 USER MOD Single : C 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 96 SER OG : rot 180:sc= 0 USER MOD Single : C 99 SER OG : rot 180:sc= 0 USER MOD Single : C 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 0.767 -33.704 6.932 1.00 0.00 N ATOM 2 CA GLY A -1 1.723 -32.612 7.235 1.00 0.00 C ATOM 3 C GLY A -1 1.217 -31.260 6.777 1.00 0.00 C ATOM 4 O GLY A -1 1.539 -30.237 7.380 1.00 0.00 O ATOM 0 H1 GLY A -1 1.082 -34.580 7.395 1.00 0.00 H new ATOM 0 H2 GLY A -1 -0.177 -33.447 7.284 1.00 0.00 H new ATOM 0 H3 GLY A -1 0.724 -33.852 5.904 1.00 0.00 H new ATOM 0 HA2 GLY A -1 1.909 -32.583 8.309 1.00 0.00 H new ATOM 0 HA3 GLY A -1 2.677 -32.823 6.752 1.00 0.00 H new ATOM 10 N SER A 0 0.421 -31.248 5.713 1.00 0.00 N ATOM 11 CA SER A 0 -0.137 -30.013 5.181 1.00 0.00 C ATOM 12 C SER A 0 -1.315 -29.552 6.034 1.00 0.00 C ATOM 13 O SER A 0 -2.476 -29.732 5.662 1.00 0.00 O ATOM 14 CB SER A 0 -0.586 -30.231 3.736 1.00 0.00 C ATOM 15 OG SER A 0 0.448 -30.824 2.968 1.00 0.00 O ATOM 0 H SER A 0 0.147 -32.086 5.200 1.00 0.00 H new ATOM 0 HA SER A 0 0.630 -29.239 5.204 1.00 0.00 H new ATOM 0 HB2 SER A 0 -1.469 -30.869 3.718 1.00 0.00 H new ATOM 0 HB3 SER A 0 -0.873 -29.277 3.292 1.00 0.00 H new ATOM 0 HG SER A 0 0.138 -30.956 2.048 1.00 0.00 H new ATOM 21 N MET A 1 -1.011 -28.964 7.182 1.00 0.00 N ATOM 22 CA MET A 1 -2.043 -28.580 8.134 1.00 0.00 C ATOM 23 C MET A 1 -2.055 -27.076 8.381 1.00 0.00 C ATOM 24 O MET A 1 -2.815 -26.586 9.215 1.00 0.00 O ATOM 25 CB MET A 1 -1.851 -29.331 9.455 1.00 0.00 C ATOM 26 CG MET A 1 -0.484 -29.123 10.085 1.00 0.00 C ATOM 27 SD MET A 1 -0.281 -30.025 11.635 1.00 0.00 S ATOM 28 CE MET A 1 -0.521 -31.714 11.091 1.00 0.00 C ATOM 0 H MET A 1 -0.060 -28.743 7.476 1.00 0.00 H new ATOM 0 HA MET A 1 -3.006 -28.851 7.702 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.618 -29.010 10.160 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.003 -30.396 9.282 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.286 -29.440 9.382 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.331 -28.059 10.267 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.136 -32.398 11.847 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.584 -31.900 10.941 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.011 -31.873 10.153 1.00 0.00 H new ATOM 38 N ALA A 2 -1.227 -26.341 7.652 1.00 0.00 N ATOM 39 CA ALA A 2 -1.183 -24.888 7.786 1.00 0.00 C ATOM 40 C ALA A 2 -2.274 -24.238 6.939 1.00 0.00 C ATOM 41 O ALA A 2 -2.006 -23.362 6.116 1.00 0.00 O ATOM 42 CB ALA A 2 0.187 -24.357 7.394 1.00 0.00 C ATOM 0 H ALA A 2 -0.578 -26.723 6.964 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.363 -24.634 8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.201 -23.272 7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.946 -24.795 8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.397 -24.623 6.358 1.00 0.00 H new ATOM 48 N GLU A 3 -3.507 -24.680 7.147 1.00 0.00 N ATOM 49 CA GLU A 3 -4.637 -24.195 6.367 1.00 0.00 C ATOM 50 C GLU A 3 -5.387 -23.096 7.116 1.00 0.00 C ATOM 51 O GLU A 3 -6.156 -22.341 6.521 1.00 0.00 O ATOM 52 CB GLU A 3 -5.583 -25.352 6.046 1.00 0.00 C ATOM 53 CG GLU A 3 -4.894 -26.532 5.381 1.00 0.00 C ATOM 54 CD GLU A 3 -5.854 -27.653 5.047 1.00 0.00 C ATOM 55 OE1 GLU A 3 -6.282 -28.373 5.975 1.00 0.00 O ATOM 56 OE2 GLU A 3 -6.190 -27.817 3.854 1.00 0.00 O ATOM 0 H GLU A 3 -3.750 -25.376 7.852 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.256 -23.773 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.056 -25.690 6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.378 -24.991 5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.404 -26.194 4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.113 -26.911 6.041 1.00 0.00 H new ATOM 63 N ALA A 4 -5.160 -23.014 8.420 1.00 0.00 N ATOM 64 CA ALA A 4 -5.819 -22.013 9.248 1.00 0.00 C ATOM 65 C ALA A 4 -5.165 -20.648 9.079 1.00 0.00 C ATOM 66 O ALA A 4 -3.969 -20.489 9.333 1.00 0.00 O ATOM 67 CB ALA A 4 -5.794 -22.433 10.710 1.00 0.00 C ATOM 0 H ALA A 4 -4.524 -23.629 8.928 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.856 -21.936 8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.290 -21.674 11.315 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.313 -23.385 10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.761 -22.541 11.040 1.00 0.00 H new ATOM 73 N SER A 5 -5.944 -19.675 8.627 1.00 0.00 N ATOM 74 CA SER A 5 -5.455 -18.315 8.444 1.00 0.00 C ATOM 75 C SER A 5 -6.606 -17.314 8.557 1.00 0.00 C ATOM 76 O SER A 5 -7.318 -17.058 7.585 1.00 0.00 O ATOM 77 CB SER A 5 -4.759 -18.179 7.085 1.00 0.00 C ATOM 78 OG SER A 5 -3.616 -19.019 7.012 1.00 0.00 O ATOM 0 H SER A 5 -6.925 -19.804 8.379 1.00 0.00 H new ATOM 0 HA SER A 5 -4.731 -18.097 9.229 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.456 -18.437 6.288 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.463 -17.142 6.926 1.00 0.00 H new ATOM 0 HG SER A 5 -3.518 -19.513 7.853 1.00 0.00 H new ATOM 84 N PRO A 6 -6.801 -16.731 9.752 1.00 0.00 N ATOM 85 CA PRO A 6 -7.915 -15.818 10.023 1.00 0.00 C ATOM 86 C PRO A 6 -7.693 -14.418 9.451 1.00 0.00 C ATOM 87 O PRO A 6 -7.571 -13.440 10.190 1.00 0.00 O ATOM 88 CB PRO A 6 -7.962 -15.776 11.550 1.00 0.00 C ATOM 89 CG PRO A 6 -6.555 -16.018 11.978 1.00 0.00 C ATOM 90 CD PRO A 6 -5.942 -16.919 10.938 1.00 0.00 C ATOM 0 HA PRO A 6 -8.840 -16.157 9.557 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.325 -14.813 11.909 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.633 -16.538 11.947 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.005 -15.080 12.052 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.524 -16.484 12.963 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.908 -16.643 10.730 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.935 -17.959 11.265 1.00 0.00 H new ATOM 98 N HIS A 7 -7.634 -14.331 8.132 1.00 0.00 N ATOM 99 CA HIS A 7 -7.469 -13.047 7.454 1.00 0.00 C ATOM 100 C HIS A 7 -8.774 -12.534 6.833 1.00 0.00 C ATOM 101 O HIS A 7 -9.119 -11.369 7.028 1.00 0.00 O ATOM 102 CB HIS A 7 -6.382 -13.116 6.381 1.00 0.00 C ATOM 103 CG HIS A 7 -4.992 -13.047 6.928 1.00 0.00 C ATOM 104 ND1 HIS A 7 -4.322 -11.861 7.129 1.00 0.00 N ATOM 105 CD2 HIS A 7 -4.136 -14.025 7.297 1.00 0.00 C ATOM 106 CE1 HIS A 7 -3.116 -12.112 7.593 1.00 0.00 C ATOM 107 NE2 HIS A 7 -2.973 -13.420 7.705 1.00 0.00 N ATOM 0 H HIS A 7 -7.698 -15.133 7.505 1.00 0.00 H new ATOM 0 HA HIS A 7 -7.165 -12.340 8.226 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -6.496 -14.043 5.820 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -6.527 -12.297 5.677 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -4.701 -10.932 6.947 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -4.331 -15.087 7.275 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -2.369 -11.372 7.841 1.00 0.00 H new ATOM 116 N PRO A 8 -9.546 -13.366 6.098 1.00 0.00 N ATOM 117 CA PRO A 8 -10.704 -12.900 5.392 1.00 0.00 C ATOM 118 C PRO A 8 -11.968 -12.899 6.240 1.00 0.00 C ATOM 119 O PRO A 8 -12.899 -13.673 6.009 1.00 0.00 O ATOM 120 CB PRO A 8 -10.806 -13.845 4.223 1.00 0.00 C ATOM 121 CG PRO A 8 -10.217 -15.128 4.697 1.00 0.00 C ATOM 122 CD PRO A 8 -9.430 -14.811 5.948 1.00 0.00 C ATOM 0 HA PRO A 8 -10.605 -11.857 5.092 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.843 -13.979 3.916 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.265 -13.460 3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.999 -15.858 4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.571 -15.562 3.934 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.835 -15.333 6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.389 -15.117 5.850 1.00 0.00 H new ATOM 130 N GLY A 9 -11.981 -12.035 7.243 1.00 0.00 N ATOM 131 CA GLY A 9 -13.187 -11.819 8.014 1.00 0.00 C ATOM 132 C GLY A 9 -13.516 -10.359 8.175 1.00 0.00 C ATOM 133 O GLY A 9 -14.620 -9.994 8.577 1.00 0.00 O ATOM 0 H GLY A 9 -11.178 -11.479 7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.021 -12.324 7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.071 -12.272 8.998 1.00 0.00 H new ATOM 137 N ARG A 10 -12.560 -9.531 7.825 1.00 0.00 N ATOM 138 CA ARG A 10 -12.677 -8.079 7.971 1.00 0.00 C ATOM 139 C ARG A 10 -11.769 -7.359 6.978 1.00 0.00 C ATOM 140 O ARG A 10 -10.604 -7.096 7.272 1.00 0.00 O ATOM 141 CB ARG A 10 -12.293 -7.620 9.387 1.00 0.00 C ATOM 142 CG ARG A 10 -13.042 -8.303 10.520 1.00 0.00 C ATOM 143 CD ARG A 10 -12.600 -7.766 11.872 1.00 0.00 C ATOM 144 NE ARG A 10 -11.142 -7.696 11.977 1.00 0.00 N ATOM 145 CZ ARG A 10 -10.394 -8.510 12.720 1.00 0.00 C ATOM 146 NH1 ARG A 10 -10.953 -9.487 13.428 1.00 0.00 N ATOM 147 NH2 ARG A 10 -9.078 -8.341 12.744 1.00 0.00 N ATOM 0 H ARG A 10 -11.671 -9.836 7.428 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.720 -7.829 7.778 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.225 -7.787 9.528 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.460 -6.545 9.460 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.114 -8.148 10.397 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.869 -9.378 10.478 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.024 -6.774 12.025 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.991 -8.406 12.663 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.664 -6.971 11.442 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.964 -9.619 13.405 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.371 -10.105 13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.650 -7.594 12.197 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.495 -8.958 13.309 1.00 0.00 H new ATOM 161 N TYR A 11 -12.289 -7.065 5.801 1.00 0.00 N ATOM 162 CA TYR A 11 -11.599 -6.181 4.868 1.00 0.00 C ATOM 163 C TYR A 11 -12.451 -4.967 4.626 1.00 0.00 C ATOM 164 O TYR A 11 -13.671 -5.066 4.613 1.00 0.00 O ATOM 165 CB TYR A 11 -11.319 -6.849 3.520 1.00 0.00 C ATOM 166 CG TYR A 11 -10.168 -7.811 3.525 1.00 0.00 C ATOM 167 CD1 TYR A 11 -10.159 -8.924 4.355 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.080 -7.595 2.696 1.00 0.00 C ATOM 169 CE1 TYR A 11 -9.088 -9.798 4.356 1.00 0.00 C ATOM 170 CE2 TYR A 11 -8.005 -8.461 2.692 1.00 0.00 C ATOM 171 CZ TYR A 11 -8.011 -9.562 3.524 1.00 0.00 C ATOM 172 OH TYR A 11 -6.946 -10.435 3.519 1.00 0.00 O ATOM 0 H TYR A 11 -13.184 -7.422 5.465 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.641 -5.919 5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.216 -7.378 3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.124 -6.074 2.779 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.999 -9.109 5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.072 -6.735 2.042 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.093 -10.662 5.005 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.163 -8.278 2.041 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.261 -11.337 3.739 1.00 0.00 H new ATOM 182 N PHE A 12 -11.835 -3.823 4.441 1.00 0.00 N ATOM 183 CA PHE A 12 -12.589 -2.663 4.042 1.00 0.00 C ATOM 184 C PHE A 12 -12.101 -2.153 2.703 1.00 0.00 C ATOM 185 O PHE A 12 -10.922 -1.837 2.528 1.00 0.00 O ATOM 186 CB PHE A 12 -12.557 -1.545 5.078 1.00 0.00 C ATOM 187 CG PHE A 12 -13.503 -0.441 4.717 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.871 -0.644 4.799 1.00 0.00 C ATOM 189 CD2 PHE A 12 -13.033 0.780 4.259 1.00 0.00 C ATOM 190 CE1 PHE A 12 -15.754 0.355 4.431 1.00 0.00 C ATOM 191 CE2 PHE A 12 -13.909 1.782 3.896 1.00 0.00 C ATOM 192 CZ PHE A 12 -15.272 1.570 3.980 1.00 0.00 C ATOM 0 H PHE A 12 -10.833 -3.673 4.558 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.628 -2.980 3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.819 -1.946 6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.545 -1.148 5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.251 -1.591 5.153 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.969 0.949 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.819 0.186 4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.530 2.731 3.547 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.960 2.352 3.694 1.00 0.00 H new ATOM 202 N CYS A 13 -13.015 -2.095 1.758 1.00 0.00 N ATOM 203 CA CYS A 13 -12.720 -1.581 0.447 1.00 0.00 C ATOM 204 C CYS A 13 -13.193 -0.138 0.342 1.00 0.00 C ATOM 205 O CYS A 13 -14.336 0.180 0.674 1.00 0.00 O ATOM 206 CB CYS A 13 -13.378 -2.454 -0.600 1.00 0.00 C ATOM 207 SG CYS A 13 -13.752 -1.635 -2.154 1.00 0.00 S ATOM 0 H CYS A 13 -13.980 -2.403 1.881 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.644 -1.597 0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.726 -3.304 -0.803 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.304 -2.854 -0.187 1.00 0.00 H new ATOM 212 N HIS A 14 -12.314 0.730 -0.122 1.00 0.00 N ATOM 213 CA HIS A 14 -12.551 2.159 -0.059 1.00 0.00 C ATOM 214 C HIS A 14 -13.369 2.694 -1.229 1.00 0.00 C ATOM 215 O HIS A 14 -14.057 3.702 -1.082 1.00 0.00 O ATOM 216 CB HIS A 14 -11.222 2.885 0.026 1.00 0.00 C ATOM 217 CG HIS A 14 -10.562 2.740 1.360 1.00 0.00 C ATOM 218 ND1 HIS A 14 -10.630 3.701 2.343 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.836 1.723 1.882 1.00 0.00 C ATOM 220 CE1 HIS A 14 -9.978 3.283 3.411 1.00 0.00 C ATOM 221 NE2 HIS A 14 -9.485 2.085 3.158 1.00 0.00 N ATOM 0 H HIS A 14 -11.425 0.468 -0.549 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.147 2.344 0.835 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.555 2.503 -0.747 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.378 3.943 -0.183 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.581 0.798 1.386 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.866 3.829 4.336 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -8.934 1.521 3.805 1.00 0.00 H new ATOM 230 N CYS A 15 -13.319 2.031 -2.374 1.00 0.00 N ATOM 231 CA CYS A 15 -13.975 2.562 -3.566 1.00 0.00 C ATOM 232 C CYS A 15 -15.495 2.494 -3.443 1.00 0.00 C ATOM 233 O CYS A 15 -16.192 3.459 -3.751 1.00 0.00 O ATOM 234 CB CYS A 15 -13.497 1.831 -4.820 1.00 0.00 C ATOM 235 SG CYS A 15 -13.785 0.052 -4.812 1.00 0.00 S ATOM 0 H CYS A 15 -12.841 1.140 -2.506 1.00 0.00 H new ATOM 0 HA CYS A 15 -13.698 3.612 -3.656 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -13.996 2.262 -5.688 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -12.429 2.012 -4.944 1.00 0.00 H new ATOM 0 HG CYS A 15 -13.694 -0.397 -3.595 1.00 0.00 H new ATOM 241 N CYS A 16 -16.010 1.359 -2.987 1.00 0.00 N ATOM 242 CA CYS A 16 -17.450 1.219 -2.804 1.00 0.00 C ATOM 243 C CYS A 16 -17.851 1.530 -1.356 1.00 0.00 C ATOM 244 O CYS A 16 -19.031 1.515 -1.007 1.00 0.00 O ATOM 245 CB CYS A 16 -17.940 -0.176 -3.237 1.00 0.00 C ATOM 246 SG CYS A 16 -17.463 -1.550 -2.159 1.00 0.00 S ATOM 0 H CYS A 16 -15.463 0.534 -2.740 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.940 1.948 -3.449 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.028 -0.153 -3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -17.562 -0.378 -4.239 1.00 0.00 H new ATOM 251 N SER A 17 -16.836 1.846 -0.540 1.00 0.00 N ATOM 252 CA SER A 17 -16.991 2.263 0.867 1.00 0.00 C ATOM 253 C SER A 17 -17.871 1.323 1.695 1.00 0.00 C ATOM 254 O SER A 17 -18.698 1.769 2.495 1.00 0.00 O ATOM 255 CB SER A 17 -17.507 3.706 0.967 1.00 0.00 C ATOM 256 OG SER A 17 -18.691 3.901 0.211 1.00 0.00 O ATOM 0 H SER A 17 -15.862 1.819 -0.843 1.00 0.00 H new ATOM 0 HA SER A 17 -15.991 2.210 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.700 3.950 2.012 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.736 4.392 0.616 1.00 0.00 H new ATOM 0 HG SER A 17 -18.988 4.831 0.302 1.00 0.00 H new ATOM 262 N VAL A 18 -17.677 0.026 1.522 1.00 0.00 N ATOM 263 CA VAL A 18 -18.380 -0.965 2.325 1.00 0.00 C ATOM 264 C VAL A 18 -17.385 -2.006 2.819 1.00 0.00 C ATOM 265 O VAL A 18 -16.422 -2.330 2.115 1.00 0.00 O ATOM 266 CB VAL A 18 -19.490 -1.677 1.520 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.309 -2.600 2.411 1.00 0.00 C ATOM 268 CG2 VAL A 18 -20.400 -0.677 0.824 1.00 0.00 C ATOM 0 H VAL A 18 -17.037 -0.367 0.832 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.847 -0.446 3.162 1.00 0.00 H new ATOM 0 HB VAL A 18 -18.998 -2.280 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.082 -3.087 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.657 -3.356 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.775 -2.019 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.169 -1.212 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.871 -0.035 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.813 -0.067 0.138 1.00 0.00 H new ATOM 278 N GLU A 19 -17.596 -2.505 4.029 1.00 0.00 N ATOM 279 CA GLU A 19 -16.744 -3.544 4.577 1.00 0.00 C ATOM 280 C GLU A 19 -17.071 -4.870 3.910 1.00 0.00 C ATOM 281 O GLU A 19 -18.211 -5.100 3.511 1.00 0.00 O ATOM 282 CB GLU A 19 -16.905 -3.636 6.081 1.00 0.00 C ATOM 283 CG GLU A 19 -15.932 -4.566 6.721 1.00 0.00 C ATOM 284 CD GLU A 19 -16.128 -4.690 8.215 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.771 -3.746 8.950 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.645 -5.733 8.665 1.00 0.00 O ATOM 0 H GLU A 19 -18.350 -2.206 4.647 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.702 -3.295 4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.787 -2.643 6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.918 -3.965 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.026 -5.551 6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.919 -4.217 6.521 1.00 0.00 H new ATOM 293 N ILE A 20 -16.077 -5.733 3.764 1.00 0.00 N ATOM 294 CA ILE A 20 -16.216 -6.900 2.913 1.00 0.00 C ATOM 295 C ILE A 20 -15.568 -8.151 3.507 1.00 0.00 C ATOM 296 O ILE A 20 -14.813 -8.089 4.483 1.00 0.00 O ATOM 297 CB ILE A 20 -15.539 -6.672 1.545 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.045 -6.932 1.686 1.00 0.00 C ATOM 299 CG2 ILE A 20 -15.767 -5.257 1.048 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.322 -7.120 0.391 1.00 0.00 C ATOM 0 H ILE A 20 -15.170 -5.646 4.222 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.291 -7.050 2.814 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.976 -7.357 0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.593 -6.097 2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.900 -7.821 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.278 -5.127 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -16.837 -5.077 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.350 -4.548 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.265 -7.300 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.743 -7.974 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.431 -6.224 -0.220 1.00 0.00 H new ATOM 312 N VAL A 21 -15.893 -9.280 2.894 1.00 0.00 N ATOM 313 CA VAL A 21 -15.098 -10.485 2.983 1.00 0.00 C ATOM 314 C VAL A 21 -14.672 -10.856 1.568 1.00 0.00 C ATOM 315 O VAL A 21 -15.470 -11.302 0.746 1.00 0.00 O ATOM 316 CB VAL A 21 -15.853 -11.659 3.638 1.00 0.00 C ATOM 317 CG1 VAL A 21 -14.979 -12.905 3.674 1.00 0.00 C ATOM 318 CG2 VAL A 21 -16.320 -11.291 5.037 1.00 0.00 C ATOM 0 H VAL A 21 -16.727 -9.381 2.315 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.238 -10.290 3.623 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.734 -11.875 3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.530 -13.722 4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.704 -13.186 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.077 -12.700 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -16.850 -12.136 5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.457 -11.042 5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -16.988 -10.432 4.983 1.00 0.00 H new ATOM 328 N PRO A 22 -13.399 -10.633 1.297 1.00 0.00 N ATOM 329 CA PRO A 22 -12.824 -10.628 -0.044 1.00 0.00 C ATOM 330 C PRO A 22 -12.762 -11.962 -0.759 1.00 0.00 C ATOM 331 O PRO A 22 -13.061 -13.023 -0.214 1.00 0.00 O ATOM 332 CB PRO A 22 -11.409 -10.128 0.188 1.00 0.00 C ATOM 333 CG PRO A 22 -11.134 -10.362 1.624 1.00 0.00 C ATOM 334 CD PRO A 22 -12.407 -10.347 2.323 1.00 0.00 C ATOM 0 HA PRO A 22 -13.454 -10.024 -0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.696 -10.663 -0.440 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.321 -9.070 -0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.630 -11.318 1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.472 -9.591 2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.431 -11.094 3.116 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.590 -9.380 2.791 1.00 0.00 H new ATOM 342 N ARG A 23 -12.314 -11.855 -1.999 1.00 0.00 N ATOM 343 CA ARG A 23 -12.144 -12.951 -2.901 1.00 0.00 C ATOM 344 C ARG A 23 -10.646 -13.176 -3.069 1.00 0.00 C ATOM 345 O ARG A 23 -10.092 -13.186 -4.169 1.00 0.00 O ATOM 346 CB ARG A 23 -12.855 -12.608 -4.194 1.00 0.00 C ATOM 347 CG ARG A 23 -14.367 -12.752 -4.104 1.00 0.00 C ATOM 348 CD ARG A 23 -15.082 -11.952 -5.163 1.00 0.00 C ATOM 349 NE ARG A 23 -16.537 -12.043 -5.031 1.00 0.00 N ATOM 350 CZ ARG A 23 -17.404 -11.452 -5.855 1.00 0.00 C ATOM 351 NH1 ARG A 23 -16.975 -10.793 -6.927 1.00 0.00 N ATOM 352 NH2 ARG A 23 -18.706 -11.525 -5.609 1.00 0.00 N ATOM 0 H ARG A 23 -12.052 -10.959 -2.409 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.578 -13.881 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.610 -11.584 -4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.482 -13.254 -4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.636 -13.804 -4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.703 -12.428 -3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.777 -10.908 -5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.785 -12.309 -6.149 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.912 -12.594 -4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.976 -10.736 -7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.645 -10.344 -7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.043 -12.032 -4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.370 -11.074 -6.238 1.00 0.00 H new ATOM 366 N LEU A 24 -10.039 -13.214 -1.890 1.00 0.00 N ATOM 367 CA LEU A 24 -8.629 -13.541 -1.601 1.00 0.00 C ATOM 368 C LEU A 24 -7.745 -13.959 -2.779 1.00 0.00 C ATOM 369 O LEU A 24 -6.717 -13.318 -2.978 1.00 0.00 O ATOM 370 CB LEU A 24 -8.572 -14.614 -0.501 1.00 0.00 C ATOM 371 CG LEU A 24 -8.092 -14.161 0.882 1.00 0.00 C ATOM 372 CD1 LEU A 24 -6.589 -13.960 0.886 1.00 0.00 C ATOM 373 CD2 LEU A 24 -8.800 -12.890 1.315 1.00 0.00 C ATOM 0 H LEU A 24 -10.553 -13.001 -1.035 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.197 -12.592 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.569 -15.041 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.917 -15.416 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.338 -14.946 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.268 -13.638 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.096 -14.898 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.322 -13.199 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.441 -12.591 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.594 -12.096 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.874 -13.069 1.360 1.00 0.00 H new ATOM 385 N PRO A 25 -8.057 -15.048 -3.532 1.00 0.00 N ATOM 386 CA PRO A 25 -7.248 -15.472 -4.686 1.00 0.00 C ATOM 387 C PRO A 25 -6.688 -14.305 -5.501 1.00 0.00 C ATOM 388 O PRO A 25 -5.550 -14.351 -5.981 1.00 0.00 O ATOM 389 CB PRO A 25 -8.246 -16.262 -5.502 1.00 0.00 C ATOM 390 CG PRO A 25 -9.100 -16.929 -4.483 1.00 0.00 C ATOM 391 CD PRO A 25 -9.193 -15.974 -3.320 1.00 0.00 C ATOM 0 HA PRO A 25 -6.361 -16.028 -4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.833 -15.613 -6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.749 -16.990 -6.144 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.089 -17.148 -4.887 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.665 -17.879 -4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.145 -15.444 -3.313 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.111 -16.496 -2.366 1.00 0.00 H new ATOM 399 N ASP A 26 -7.483 -13.257 -5.625 1.00 0.00 N ATOM 400 CA ASP A 26 -7.074 -12.062 -6.343 1.00 0.00 C ATOM 401 C ASP A 26 -6.904 -10.880 -5.412 1.00 0.00 C ATOM 402 O ASP A 26 -6.218 -9.913 -5.742 1.00 0.00 O ATOM 403 CB ASP A 26 -8.131 -11.700 -7.351 1.00 0.00 C ATOM 404 CG ASP A 26 -7.635 -11.788 -8.779 1.00 0.00 C ATOM 405 OD1 ASP A 26 -6.862 -10.899 -9.195 1.00 0.00 O ATOM 406 OD2 ASP A 26 -8.015 -12.741 -9.492 1.00 0.00 O ATOM 0 H ASP A 26 -8.424 -13.209 -5.234 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.120 -12.279 -6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.987 -12.363 -7.227 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.482 -10.687 -7.155 1.00 0.00 H new ATOM 411 N TYR A 27 -7.552 -10.973 -4.256 1.00 0.00 N ATOM 412 CA TYR A 27 -7.677 -9.852 -3.328 1.00 0.00 C ATOM 413 C TYR A 27 -8.577 -8.789 -3.917 1.00 0.00 C ATOM 414 O TYR A 27 -8.198 -7.632 -4.094 1.00 0.00 O ATOM 415 CB TYR A 27 -6.326 -9.274 -2.930 1.00 0.00 C ATOM 416 CG TYR A 27 -5.637 -10.093 -1.876 1.00 0.00 C ATOM 417 CD1 TYR A 27 -6.010 -9.984 -0.547 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.621 -10.970 -2.206 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.386 -10.728 0.429 1.00 0.00 C ATOM 420 CE2 TYR A 27 -3.986 -11.718 -1.236 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.374 -11.593 0.081 1.00 0.00 C ATOM 422 OH TYR A 27 -3.739 -12.330 1.057 1.00 0.00 O ATOM 0 H TYR A 27 -8.006 -11.828 -3.935 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.130 -10.230 -2.412 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.688 -9.211 -3.811 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.464 -8.257 -2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.803 -9.305 -0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.320 -11.071 -3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.689 -10.633 1.461 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.191 -12.397 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.050 -12.892 0.646 1.00 0.00 H new ATOM 432 N ILE A 28 -9.775 -9.226 -4.224 1.00 0.00 N ATOM 433 CA ILE A 28 -10.824 -8.368 -4.738 1.00 0.00 C ATOM 434 C ILE A 28 -11.910 -8.240 -3.702 1.00 0.00 C ATOM 435 O ILE A 28 -12.008 -9.044 -2.775 1.00 0.00 O ATOM 436 CB ILE A 28 -11.456 -8.906 -6.044 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.144 -10.393 -6.188 1.00 0.00 C ATOM 438 CG2 ILE A 28 -10.936 -8.124 -7.238 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.119 -11.179 -7.025 1.00 0.00 C ATOM 0 H ILE A 28 -10.056 -10.201 -4.123 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.367 -7.404 -4.962 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.538 -8.779 -6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.150 -10.498 -6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.105 -10.837 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.388 -8.511 -8.151 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.194 -7.071 -7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.853 -8.227 -7.297 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.807 -12.223 -7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.113 -11.114 -6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.144 -10.770 -8.035 1.00 0.00 H new ATOM 451 N CYS A 29 -12.736 -7.254 -3.895 1.00 0.00 N ATOM 452 CA CYS A 29 -13.847 -6.999 -3.022 1.00 0.00 C ATOM 453 C CYS A 29 -15.069 -7.660 -3.635 1.00 0.00 C ATOM 454 O CYS A 29 -15.212 -7.693 -4.841 1.00 0.00 O ATOM 455 CB CYS A 29 -13.997 -5.479 -2.919 1.00 0.00 C ATOM 456 SG CYS A 29 -15.597 -4.839 -2.387 1.00 0.00 S ATOM 0 H CYS A 29 -12.658 -6.596 -4.671 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.710 -7.403 -2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.240 -5.112 -2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.770 -5.051 -3.895 1.00 0.00 H new ATOM 461 N PRO A 30 -15.945 -8.232 -2.827 1.00 0.00 N ATOM 462 CA PRO A 30 -17.086 -8.969 -3.328 1.00 0.00 C ATOM 463 C PRO A 30 -18.184 -7.995 -3.642 1.00 0.00 C ATOM 464 O PRO A 30 -19.125 -8.279 -4.377 1.00 0.00 O ATOM 465 CB PRO A 30 -17.455 -9.852 -2.143 1.00 0.00 C ATOM 466 CG PRO A 30 -17.091 -9.038 -0.947 1.00 0.00 C ATOM 467 CD PRO A 30 -15.947 -8.147 -1.368 1.00 0.00 C ATOM 0 HA PRO A 30 -16.902 -9.543 -4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.516 -10.100 -2.147 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.908 -10.794 -2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.940 -8.445 -0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.798 -9.679 -0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.095 -7.122 -1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.001 -8.488 -0.948 1.00 0.00 H new ATOM 475 N ARG A 31 -18.026 -6.830 -3.047 1.00 0.00 N ATOM 476 CA ARG A 31 -18.985 -5.769 -3.168 1.00 0.00 C ATOM 477 C ARG A 31 -18.659 -4.751 -4.257 1.00 0.00 C ATOM 478 O ARG A 31 -19.221 -3.655 -4.266 1.00 0.00 O ATOM 479 CB ARG A 31 -19.162 -5.134 -1.839 1.00 0.00 C ATOM 480 CG ARG A 31 -19.809 -6.139 -0.950 1.00 0.00 C ATOM 481 CD ARG A 31 -20.229 -5.589 0.400 1.00 0.00 C ATOM 482 NE ARG A 31 -21.281 -6.411 1.000 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.489 -6.551 2.310 1.00 0.00 C ATOM 484 NH1 ARG A 31 -20.689 -5.969 3.188 1.00 0.00 N ATOM 485 NH2 ARG A 31 -22.501 -7.294 2.739 1.00 0.00 N ATOM 0 H ARG A 31 -17.221 -6.599 -2.464 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.927 -6.209 -3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.200 -4.823 -1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.779 -4.239 -1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.686 -6.544 -1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.119 -6.969 -0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -19.367 -5.554 1.066 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.585 -4.565 0.284 1.00 0.00 H new ATOM 0 HE ARG A 31 -21.903 -6.915 0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -19.902 -5.405 2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.859 -6.084 4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -23.116 -7.755 2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.664 -7.404 3.740 1.00 0.00 H new ATOM 499 N CYS A 32 -17.747 -5.119 -5.165 1.00 0.00 N ATOM 500 CA CYS A 32 -17.460 -4.312 -6.360 1.00 0.00 C ATOM 501 C CYS A 32 -16.301 -4.898 -7.183 1.00 0.00 C ATOM 502 O CYS A 32 -16.061 -4.467 -8.313 1.00 0.00 O ATOM 503 CB CYS A 32 -17.165 -2.845 -6.010 1.00 0.00 C ATOM 504 SG CYS A 32 -15.536 -2.542 -5.300 1.00 0.00 S ATOM 0 H CYS A 32 -17.193 -5.973 -5.096 1.00 0.00 H new ATOM 0 HA CYS A 32 -18.364 -4.342 -6.968 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -17.268 -2.244 -6.914 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -17.921 -2.496 -5.307 1.00 0.00 H new ATOM 509 N GLU A 33 -15.578 -5.873 -6.608 1.00 0.00 N ATOM 510 CA GLU A 33 -14.500 -6.581 -7.304 1.00 0.00 C ATOM 511 C GLU A 33 -13.348 -5.655 -7.669 1.00 0.00 C ATOM 512 O GLU A 33 -12.648 -5.869 -8.654 1.00 0.00 O ATOM 513 CB GLU A 33 -15.028 -7.314 -8.530 1.00 0.00 C ATOM 514 CG GLU A 33 -14.249 -8.576 -8.834 1.00 0.00 C ATOM 515 CD GLU A 33 -14.735 -9.287 -10.075 1.00 0.00 C ATOM 516 OE1 GLU A 33 -14.219 -8.997 -11.173 1.00 0.00 O ATOM 517 OE2 GLU A 33 -15.623 -10.157 -9.952 1.00 0.00 O ATOM 0 H GLU A 33 -15.727 -6.189 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.104 -7.323 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.077 -7.567 -8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.986 -6.649 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.195 -8.325 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.320 -9.253 -7.983 1.00 0.00 H new ATOM 524 N SER A 34 -13.156 -4.629 -6.864 1.00 0.00 N ATOM 525 CA SER A 34 -11.958 -3.824 -6.943 1.00 0.00 C ATOM 526 C SER A 34 -10.984 -4.255 -5.855 1.00 0.00 C ATOM 527 O SER A 34 -11.403 -4.689 -4.779 1.00 0.00 O ATOM 528 CB SER A 34 -12.296 -2.368 -6.816 1.00 0.00 C ATOM 529 OG SER A 34 -13.304 -1.992 -7.738 1.00 0.00 O ATOM 0 H SER A 34 -13.818 -4.334 -6.146 1.00 0.00 H new ATOM 0 HA SER A 34 -11.487 -3.973 -7.914 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.632 -2.158 -5.801 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.402 -1.768 -6.987 1.00 0.00 H new ATOM 0 HG SER A 34 -14.181 -2.048 -7.305 1.00 0.00 H new ATOM 535 N GLY A 35 -9.693 -4.142 -6.132 1.00 0.00 N ATOM 536 CA GLY A 35 -8.683 -4.615 -5.201 1.00 0.00 C ATOM 537 C GLY A 35 -8.282 -3.566 -4.183 1.00 0.00 C ATOM 538 O GLY A 35 -7.202 -3.641 -3.593 1.00 0.00 O ATOM 0 H GLY A 35 -9.323 -3.729 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.060 -5.495 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.801 -4.929 -5.759 1.00 0.00 H new ATOM 542 N PHE A 36 -9.154 -2.590 -3.967 1.00 0.00 N ATOM 543 CA PHE A 36 -8.900 -1.530 -2.998 1.00 0.00 C ATOM 544 C PHE A 36 -9.344 -1.949 -1.602 1.00 0.00 C ATOM 545 O PHE A 36 -10.022 -1.191 -0.902 1.00 0.00 O ATOM 546 CB PHE A 36 -9.627 -0.247 -3.397 1.00 0.00 C ATOM 547 CG PHE A 36 -9.019 0.467 -4.566 1.00 0.00 C ATOM 548 CD1 PHE A 36 -7.995 1.376 -4.373 1.00 0.00 C ATOM 549 CD2 PHE A 36 -9.485 0.249 -5.851 1.00 0.00 C ATOM 550 CE1 PHE A 36 -7.443 2.057 -5.437 1.00 0.00 C ATOM 551 CE2 PHE A 36 -8.934 0.924 -6.924 1.00 0.00 C ATOM 552 CZ PHE A 36 -7.913 1.830 -6.715 1.00 0.00 C ATOM 0 H PHE A 36 -10.048 -2.510 -4.452 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.826 -1.345 -2.987 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.663 -0.489 -3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.644 0.429 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.623 1.555 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.287 -0.455 -6.017 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.645 2.766 -5.271 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.301 0.743 -7.923 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.482 2.361 -7.551 1.00 0.00 H new ATOM 562 N ILE A 37 -8.955 -3.147 -1.199 1.00 0.00 N ATOM 563 CA ILE A 37 -9.331 -3.665 0.104 1.00 0.00 C ATOM 564 C ILE A 37 -8.130 -3.742 1.032 1.00 0.00 C ATOM 565 O ILE A 37 -7.084 -4.268 0.653 1.00 0.00 O ATOM 566 CB ILE A 37 -9.939 -5.067 0.011 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.125 -6.015 -0.868 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.336 -4.987 -0.495 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.784 -7.372 -1.022 1.00 0.00 C ATOM 0 H ILE A 37 -8.379 -3.778 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.073 -2.971 0.500 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.928 -5.479 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.989 -5.567 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.132 -6.143 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.758 -5.990 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.935 -4.382 0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.339 -4.530 -1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.165 -8.007 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.896 -7.836 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.766 -7.250 -1.479 1.00 0.00 H new ATOM 581 N GLU A 38 -8.288 -3.234 2.240 1.00 0.00 N ATOM 582 CA GLU A 38 -7.265 -3.373 3.265 1.00 0.00 C ATOM 583 C GLU A 38 -7.855 -4.148 4.433 1.00 0.00 C ATOM 584 O GLU A 38 -9.051 -4.047 4.715 1.00 0.00 O ATOM 585 CB GLU A 38 -6.745 -1.999 3.715 1.00 0.00 C ATOM 586 CG GLU A 38 -7.667 -1.276 4.665 1.00 0.00 C ATOM 587 CD GLU A 38 -7.127 0.053 5.117 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.413 0.082 6.135 1.00 0.00 O ATOM 589 OE2 GLU A 38 -7.451 1.079 4.483 1.00 0.00 O ATOM 0 H GLU A 38 -9.117 -2.720 2.538 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.412 -3.917 2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.775 -2.128 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.585 -1.376 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.631 -1.123 4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.845 -1.905 5.538 1.00 0.00 H new ATOM 596 N GLU A 39 -7.029 -4.944 5.080 1.00 0.00 N ATOM 597 CA GLU A 39 -7.483 -5.787 6.174 1.00 0.00 C ATOM 598 C GLU A 39 -7.626 -4.964 7.450 1.00 0.00 C ATOM 599 O GLU A 39 -6.845 -4.044 7.698 1.00 0.00 O ATOM 600 CB GLU A 39 -6.496 -6.937 6.355 1.00 0.00 C ATOM 601 CG GLU A 39 -6.866 -7.923 7.428 1.00 0.00 C ATOM 602 CD GLU A 39 -5.811 -8.993 7.618 1.00 0.00 C ATOM 603 OE1 GLU A 39 -5.198 -9.416 6.613 1.00 0.00 O ATOM 604 OE2 GLU A 39 -5.569 -9.403 8.770 1.00 0.00 O ATOM 0 H GLU A 39 -6.035 -5.027 4.868 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.464 -6.202 5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.403 -7.469 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.515 -6.522 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.015 -7.393 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.815 -8.394 7.173 1.00 0.00 H new ATOM 611 N LEU A 40 -8.638 -5.288 8.237 1.00 0.00 N ATOM 612 CA LEU A 40 -8.986 -4.507 9.417 1.00 0.00 C ATOM 613 C LEU A 40 -8.397 -5.124 10.677 1.00 0.00 C ATOM 614 O LEU A 40 -9.040 -6.023 11.258 1.00 0.00 O ATOM 615 CB LEU A 40 -10.509 -4.410 9.544 1.00 0.00 C ATOM 616 CG LEU A 40 -11.203 -3.318 8.712 1.00 0.00 C ATOM 617 CD1 LEU A 40 -10.461 -3.028 7.419 1.00 0.00 C ATOM 618 CD2 LEU A 40 -12.619 -3.746 8.394 1.00 0.00 C ATOM 619 OXT LEU A 40 -7.303 -4.694 11.094 1.00 0.00 O ATOM 0 H LEU A 40 -9.241 -6.096 8.079 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.566 -3.508 9.302 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.936 -5.373 9.265 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.753 -4.245 10.593 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.207 -2.404 9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.987 -2.251 6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.450 -2.690 7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.413 -3.935 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.110 -2.971 7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.599 -4.676 7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.170 -3.899 9.322 1.00 0.00 H new TER 631 LEU A 40 ATOM 632 N MET C 2 22.187 -8.636 11.382 1.00 0.00 N ATOM 633 CA MET C 2 21.313 -7.991 10.380 1.00 0.00 C ATOM 634 C MET C 2 21.630 -6.505 10.272 1.00 0.00 C ATOM 635 O MET C 2 21.644 -5.796 11.280 1.00 0.00 O ATOM 636 CB MET C 2 19.841 -8.180 10.757 1.00 0.00 C ATOM 637 CG MET C 2 18.877 -7.531 9.779 1.00 0.00 C ATOM 638 SD MET C 2 17.153 -7.726 10.268 1.00 0.00 S ATOM 639 CE MET C 2 16.328 -6.871 8.927 1.00 0.00 C ATOM 0 HA MET C 2 21.496 -8.462 9.414 1.00 0.00 H new ATOM 0 HB2 MET C 2 19.623 -9.246 10.816 1.00 0.00 H new ATOM 0 HB3 MET C 2 19.672 -7.765 11.751 1.00 0.00 H new ATOM 0 HG2 MET C 2 19.109 -6.469 9.697 1.00 0.00 H new ATOM 0 HG3 MET C 2 19.021 -7.966 8.790 1.00 0.00 H new ATOM 0 HE1 MET C 2 15.250 -6.903 9.084 1.00 0.00 H new ATOM 0 HE2 MET C 2 16.660 -5.833 8.899 1.00 0.00 H new ATOM 0 HE3 MET C 2 16.572 -7.356 7.982 1.00 0.00 H new ATOM 651 N ALA C 3 21.902 -6.057 9.043 1.00 0.00 N ATOM 652 CA ALA C 3 22.149 -4.643 8.728 1.00 0.00 C ATOM 653 C ALA C 3 23.480 -4.145 9.290 1.00 0.00 C ATOM 654 O ALA C 3 24.363 -3.734 8.538 1.00 0.00 O ATOM 655 CB ALA C 3 21.000 -3.766 9.208 1.00 0.00 C ATOM 0 H ALA C 3 21.958 -6.670 8.230 1.00 0.00 H new ATOM 0 HA ALA C 3 22.211 -4.570 7.642 1.00 0.00 H new ATOM 0 HB1 ALA C 3 21.209 -2.725 8.962 1.00 0.00 H new ATOM 0 HB2 ALA C 3 20.077 -4.076 8.719 1.00 0.00 H new ATOM 0 HB3 ALA C 3 20.890 -3.869 10.288 1.00 0.00 H new ATOM 661 N HIS C 4 23.625 -4.183 10.608 1.00 0.00 N ATOM 662 CA HIS C 4 24.832 -3.697 11.264 1.00 0.00 C ATOM 663 C HIS C 4 25.943 -4.737 11.192 1.00 0.00 C ATOM 664 O HIS C 4 26.188 -5.472 12.150 1.00 0.00 O ATOM 665 CB HIS C 4 24.547 -3.329 12.724 1.00 0.00 C ATOM 666 CG HIS C 4 23.632 -2.154 12.891 1.00 0.00 C ATOM 667 ND1 HIS C 4 22.344 -2.263 13.365 1.00 0.00 N ATOM 668 CD2 HIS C 4 23.827 -0.838 12.643 1.00 0.00 C ATOM 669 CE1 HIS C 4 21.789 -1.067 13.404 1.00 0.00 C ATOM 670 NE2 HIS C 4 22.666 -0.184 12.971 1.00 0.00 N ATOM 0 H HIS C 4 22.918 -4.547 11.247 1.00 0.00 H new ATOM 0 HA HIS C 4 25.161 -2.801 10.738 1.00 0.00 H new ATOM 0 HB2 HIS C 4 24.109 -4.192 13.226 1.00 0.00 H new ATOM 0 HB3 HIS C 4 25.491 -3.115 13.225 1.00 0.00 H new ATOM 0 HD2 HIS C 4 24.729 -0.386 12.258 1.00 0.00 H new ATOM 0 HE1 HIS C 4 20.785 -0.848 13.735 1.00 0.00 H new ATOM 0 HE2 HIS C 4 22.508 0.821 12.893 1.00 0.00 H new ATOM 679 N HIS C 5 26.599 -4.802 10.044 1.00 0.00 N ATOM 680 CA HIS C 5 27.718 -5.714 9.842 1.00 0.00 C ATOM 681 C HIS C 5 28.947 -5.204 10.583 1.00 0.00 C ATOM 682 O HIS C 5 29.618 -5.957 11.287 1.00 0.00 O ATOM 683 CB HIS C 5 28.044 -5.856 8.350 1.00 0.00 C ATOM 684 CG HIS C 5 26.933 -6.427 7.524 1.00 0.00 C ATOM 685 ND1 HIS C 5 26.066 -5.650 6.786 1.00 0.00 N ATOM 686 CD2 HIS C 5 26.565 -7.709 7.298 1.00 0.00 C ATOM 687 CE1 HIS C 5 25.215 -6.428 6.146 1.00 0.00 C ATOM 688 NE2 HIS C 5 25.497 -7.683 6.438 1.00 0.00 N ATOM 0 H HIS C 5 26.374 -4.229 9.230 1.00 0.00 H new ATOM 0 HA HIS C 5 27.435 -6.691 10.233 1.00 0.00 H new ATOM 0 HB2 HIS C 5 28.308 -4.875 7.954 1.00 0.00 H new ATOM 0 HB3 HIS C 5 28.924 -6.491 8.242 1.00 0.00 H new ATOM 0 HD2 HIS C 5 27.027 -8.590 7.717 1.00 0.00 H new ATOM 0 HE1 HIS C 5 24.422 -6.094 5.493 1.00 0.00 H new ATOM 0 HE2 HIS C 5 25.002 -8.501 6.082 1.00 0.00 H new ATOM 697 N HIS C 6 29.232 -3.915 10.415 1.00 0.00 N ATOM 698 CA HIS C 6 30.368 -3.277 11.077 1.00 0.00 C ATOM 699 C HIS C 6 30.311 -1.760 10.911 1.00 0.00 C ATOM 700 O HIS C 6 30.602 -1.016 11.843 1.00 0.00 O ATOM 701 CB HIS C 6 31.712 -3.841 10.569 1.00 0.00 C ATOM 702 CG HIS C 6 31.903 -3.815 9.078 1.00 0.00 C ATOM 703 ND1 HIS C 6 31.684 -4.913 8.275 1.00 0.00 N ATOM 704 CD2 HIS C 6 32.318 -2.827 8.248 1.00 0.00 C ATOM 705 CE1 HIS C 6 31.955 -4.603 7.022 1.00 0.00 C ATOM 706 NE2 HIS C 6 32.340 -3.342 6.977 1.00 0.00 N ATOM 0 H HIS C 6 28.688 -3.288 9.822 1.00 0.00 H new ATOM 0 HA HIS C 6 30.301 -3.506 12.141 1.00 0.00 H new ATOM 0 HB2 HIS C 6 32.521 -3.276 11.031 1.00 0.00 H new ATOM 0 HB3 HIS C 6 31.807 -4.871 10.912 1.00 0.00 H new ATOM 0 HD2 HIS C 6 32.583 -1.820 8.535 1.00 0.00 H new ATOM 0 HE1 HIS C 6 31.875 -5.269 6.176 1.00 0.00 H new ATOM 0 HE2 HIS C 6 32.610 -2.833 6.135 1.00 0.00 H new ATOM 715 N HIS C 7 29.924 -1.313 9.725 1.00 0.00 N ATOM 716 CA HIS C 7 29.750 0.109 9.440 1.00 0.00 C ATOM 717 C HIS C 7 28.811 0.268 8.261 1.00 0.00 C ATOM 718 O HIS C 7 28.481 -0.713 7.596 1.00 0.00 O ATOM 719 CB HIS C 7 31.089 0.796 9.140 1.00 0.00 C ATOM 720 CG HIS C 7 31.750 1.387 10.350 1.00 0.00 C ATOM 721 ND1 HIS C 7 33.043 1.095 10.723 1.00 0.00 N ATOM 722 CD2 HIS C 7 31.289 2.272 11.264 1.00 0.00 C ATOM 723 CE1 HIS C 7 33.348 1.773 11.813 1.00 0.00 C ATOM 724 NE2 HIS C 7 32.301 2.496 12.163 1.00 0.00 N ATOM 0 H HIS C 7 29.721 -1.922 8.933 1.00 0.00 H new ATOM 0 HA HIS C 7 29.327 0.587 10.324 1.00 0.00 H new ATOM 0 HB2 HIS C 7 31.765 0.071 8.686 1.00 0.00 H new ATOM 0 HB3 HIS C 7 30.926 1.584 8.405 1.00 0.00 H new ATOM 0 HD2 HIS C 7 30.306 2.719 11.282 1.00 0.00 H new ATOM 0 HE1 HIS C 7 34.295 1.742 12.331 1.00 0.00 H new ATOM 0 HE2 HIS C 7 32.252 3.119 12.969 1.00 0.00 H new ATOM 733 N HIS C 8 28.375 1.484 7.995 1.00 0.00 N ATOM 734 CA HIS C 8 27.436 1.716 6.914 1.00 0.00 C ATOM 735 C HIS C 8 28.065 2.498 5.773 1.00 0.00 C ATOM 736 O HIS C 8 27.597 3.575 5.406 1.00 0.00 O ATOM 737 CB HIS C 8 26.171 2.405 7.423 1.00 0.00 C ATOM 738 CG HIS C 8 25.108 1.433 7.831 1.00 0.00 C ATOM 739 ND1 HIS C 8 24.826 1.122 9.143 1.00 0.00 N ATOM 740 CD2 HIS C 8 24.261 0.689 7.082 1.00 0.00 C ATOM 741 CE1 HIS C 8 23.855 0.227 9.181 1.00 0.00 C ATOM 742 NE2 HIS C 8 23.495 -0.051 7.945 1.00 0.00 N ATOM 0 H HIS C 8 28.653 2.321 8.508 1.00 0.00 H new ATOM 0 HA HIS C 8 27.154 0.741 6.518 1.00 0.00 H new ATOM 0 HB2 HIS C 8 26.424 3.038 8.273 1.00 0.00 H new ATOM 0 HB3 HIS C 8 25.780 3.059 6.644 1.00 0.00 H new ATOM 0 HD2 HIS C 8 24.200 0.680 6.004 1.00 0.00 H new ATOM 0 HE1 HIS C 8 23.428 -0.204 10.075 1.00 0.00 H new ATOM 0 HE2 HIS C 8 22.765 -0.710 7.674 1.00 0.00 H new ATOM 751 N HIS C 9 29.140 1.951 5.227 1.00 0.00 N ATOM 752 CA HIS C 9 29.670 2.411 3.952 1.00 0.00 C ATOM 753 C HIS C 9 29.171 1.452 2.886 1.00 0.00 C ATOM 754 O HIS C 9 29.928 0.649 2.339 1.00 0.00 O ATOM 755 CB HIS C 9 31.204 2.450 3.958 1.00 0.00 C ATOM 756 CG HIS C 9 31.801 3.039 2.709 1.00 0.00 C ATOM 757 ND1 HIS C 9 31.989 2.321 1.544 1.00 0.00 N ATOM 758 CD2 HIS C 9 32.247 4.287 2.448 1.00 0.00 C ATOM 759 CE1 HIS C 9 32.524 3.102 0.627 1.00 0.00 C ATOM 760 NE2 HIS C 9 32.690 4.302 1.149 1.00 0.00 N ATOM 0 H HIS C 9 29.665 1.185 5.649 1.00 0.00 H new ATOM 0 HA HIS C 9 29.332 3.428 3.756 1.00 0.00 H new ATOM 0 HB2 HIS C 9 31.540 3.029 4.818 1.00 0.00 H new ATOM 0 HB3 HIS C 9 31.583 1.436 4.088 1.00 0.00 H new ATOM 0 HD1 HIS C 9 31.751 1.338 1.414 1.00 0.00 H new ATOM 0 HD2 HIS C 9 32.254 5.120 3.135 1.00 0.00 H new ATOM 0 HE1 HIS C 9 32.782 2.809 -0.380 1.00 0.00 H new ATOM 769 N VAL C 10 27.883 1.514 2.623 1.00 0.00 N ATOM 770 CA VAL C 10 27.243 0.523 1.790 1.00 0.00 C ATOM 771 C VAL C 10 27.422 0.824 0.311 1.00 0.00 C ATOM 772 O VAL C 10 27.432 1.978 -0.127 1.00 0.00 O ATOM 773 CB VAL C 10 25.743 0.390 2.111 1.00 0.00 C ATOM 774 CG1 VAL C 10 25.537 0.017 3.567 1.00 0.00 C ATOM 775 CG2 VAL C 10 25.006 1.669 1.772 1.00 0.00 C ATOM 0 H VAL C 10 27.260 2.241 2.975 1.00 0.00 H new ATOM 0 HA VAL C 10 27.734 -0.424 2.013 1.00 0.00 H new ATOM 0 HB VAL C 10 25.332 -0.410 1.495 1.00 0.00 H new ATOM 0 HG11 VAL C 10 24.470 -0.072 3.772 1.00 0.00 H new ATOM 0 HG12 VAL C 10 26.026 -0.935 3.771 1.00 0.00 H new ATOM 0 HG13 VAL C 10 25.966 0.790 4.205 1.00 0.00 H new ATOM 0 HG21 VAL C 10 23.948 1.552 2.007 1.00 0.00 H new ATOM 0 HG22 VAL C 10 25.419 2.492 2.355 1.00 0.00 H new ATOM 0 HG23 VAL C 10 25.120 1.884 0.710 1.00 0.00 H new ATOM 785 N ASP C 11 27.585 -0.237 -0.440 1.00 0.00 N ATOM 786 CA ASP C 11 27.661 -0.172 -1.887 1.00 0.00 C ATOM 787 C ASP C 11 26.491 -0.942 -2.463 1.00 0.00 C ATOM 788 O ASP C 11 26.392 -1.161 -3.670 1.00 0.00 O ATOM 789 CB ASP C 11 28.991 -0.741 -2.398 1.00 0.00 C ATOM 790 CG ASP C 11 29.311 -2.104 -1.819 1.00 0.00 C ATOM 791 OD1 ASP C 11 28.838 -3.122 -2.367 1.00 0.00 O ATOM 792 OD2 ASP C 11 30.039 -2.162 -0.805 1.00 0.00 O ATOM 0 H ASP C 11 27.670 -1.182 -0.065 1.00 0.00 H new ATOM 0 HA ASP C 11 27.614 0.869 -2.207 1.00 0.00 H new ATOM 0 HB2 ASP C 11 28.956 -0.813 -3.485 1.00 0.00 H new ATOM 0 HB3 ASP C 11 29.796 -0.049 -2.150 1.00 0.00 H new ATOM 797 N ASP C 12 25.603 -1.340 -1.561 1.00 0.00 N ATOM 798 CA ASP C 12 24.404 -2.079 -1.911 1.00 0.00 C ATOM 799 C ASP C 12 23.334 -1.125 -2.421 1.00 0.00 C ATOM 800 O ASP C 12 22.493 -0.640 -1.659 1.00 0.00 O ATOM 801 CB ASP C 12 23.900 -2.855 -0.690 1.00 0.00 C ATOM 802 CG ASP C 12 22.610 -3.605 -0.952 1.00 0.00 C ATOM 803 OD1 ASP C 12 22.571 -4.419 -1.898 1.00 0.00 O ATOM 804 OD2 ASP C 12 21.632 -3.387 -0.199 1.00 0.00 O ATOM 0 H ASP C 12 25.698 -1.157 -0.562 1.00 0.00 H new ATOM 0 HA ASP C 12 24.636 -2.790 -2.704 1.00 0.00 H new ATOM 0 HB2 ASP C 12 24.667 -3.563 -0.375 1.00 0.00 H new ATOM 0 HB3 ASP C 12 23.748 -2.161 0.137 1.00 0.00 H new ATOM 809 N ASP C 13 23.393 -0.831 -3.707 1.00 0.00 N ATOM 810 CA ASP C 13 22.454 0.095 -4.319 1.00 0.00 C ATOM 811 C ASP C 13 21.745 -0.563 -5.492 1.00 0.00 C ATOM 812 O ASP C 13 20.895 0.047 -6.139 1.00 0.00 O ATOM 813 CB ASP C 13 23.180 1.358 -4.794 1.00 0.00 C ATOM 814 CG ASP C 13 23.889 1.171 -6.125 1.00 0.00 C ATOM 815 OD1 ASP C 13 25.014 0.625 -6.142 1.00 0.00 O ATOM 816 OD2 ASP C 13 23.324 1.575 -7.164 1.00 0.00 O ATOM 0 H ASP C 13 24.082 -1.220 -4.350 1.00 0.00 H new ATOM 0 HA ASP C 13 21.713 0.373 -3.570 1.00 0.00 H new ATOM 0 HB2 ASP C 13 22.461 2.172 -4.883 1.00 0.00 H new ATOM 0 HB3 ASP C 13 23.908 1.657 -4.040 1.00 0.00 H new ATOM 821 N ASP C 14 22.094 -1.819 -5.757 1.00 0.00 N ATOM 822 CA ASP C 14 21.547 -2.543 -6.889 1.00 0.00 C ATOM 823 C ASP C 14 20.050 -2.757 -6.739 1.00 0.00 C ATOM 824 O ASP C 14 19.310 -2.704 -7.721 1.00 0.00 O ATOM 825 CB ASP C 14 22.249 -3.883 -7.029 1.00 0.00 C ATOM 826 CG ASP C 14 21.732 -4.685 -8.208 1.00 0.00 C ATOM 827 OD1 ASP C 14 22.135 -4.390 -9.354 1.00 0.00 O ATOM 828 OD2 ASP C 14 20.916 -5.606 -7.996 1.00 0.00 O ATOM 0 H ASP C 14 22.757 -2.355 -5.197 1.00 0.00 H new ATOM 0 HA ASP C 14 21.713 -1.946 -7.786 1.00 0.00 H new ATOM 0 HB2 ASP C 14 23.320 -3.719 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP C 14 22.113 -4.459 -6.114 1.00 0.00 H new ATOM 833 N LYS C 15 19.615 -2.997 -5.504 1.00 0.00 N ATOM 834 CA LYS C 15 18.210 -3.221 -5.213 1.00 0.00 C ATOM 835 C LYS C 15 17.334 -2.128 -5.793 1.00 0.00 C ATOM 836 O LYS C 15 17.674 -0.942 -5.748 1.00 0.00 O ATOM 837 CB LYS C 15 17.987 -3.305 -3.718 1.00 0.00 C ATOM 838 CG LYS C 15 18.778 -4.420 -3.079 1.00 0.00 C ATOM 839 CD LYS C 15 18.732 -4.340 -1.568 1.00 0.00 C ATOM 840 CE LYS C 15 19.460 -5.507 -0.929 1.00 0.00 C ATOM 841 NZ LYS C 15 19.774 -5.239 0.496 1.00 0.00 N ATOM 0 H LYS C 15 20.224 -3.040 -4.687 1.00 0.00 H new ATOM 0 HA LYS C 15 17.931 -4.166 -5.679 1.00 0.00 H new ATOM 0 HB2 LYS C 15 18.265 -2.357 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS C 15 16.926 -3.456 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS C 15 18.382 -5.382 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS C 15 19.814 -4.371 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS C 15 19.182 -3.404 -1.238 1.00 0.00 H new ATOM 0 HD3 LYS C 15 17.694 -4.330 -1.234 1.00 0.00 H new ATOM 0 HE2 LYS C 15 18.847 -6.405 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS C 15 20.383 -5.704 -1.475 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 20.271 -6.057 0.902 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 20.380 -4.396 0.566 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 18.891 -5.075 1.021 1.00 0.00 H new ATOM 855 N MET C 16 16.196 -2.541 -6.303 1.00 0.00 N ATOM 856 CA MET C 16 15.301 -1.651 -7.015 1.00 0.00 C ATOM 857 C MET C 16 13.991 -2.359 -7.306 1.00 0.00 C ATOM 858 O MET C 16 13.981 -3.430 -7.914 1.00 0.00 O ATOM 859 CB MET C 16 15.963 -1.168 -8.316 1.00 0.00 C ATOM 860 CG MET C 16 15.072 -0.302 -9.199 1.00 0.00 C ATOM 861 SD MET C 16 14.012 -1.263 -10.303 1.00 0.00 S ATOM 862 CE MET C 16 15.236 -2.176 -11.243 1.00 0.00 C ATOM 0 H MET C 16 15.863 -3.503 -6.237 1.00 0.00 H new ATOM 0 HA MET C 16 15.091 -0.780 -6.394 1.00 0.00 H new ATOM 0 HB2 MET C 16 16.860 -0.603 -8.063 1.00 0.00 H new ATOM 0 HB3 MET C 16 16.284 -2.038 -8.889 1.00 0.00 H new ATOM 0 HG2 MET C 16 14.448 0.330 -8.566 1.00 0.00 H new ATOM 0 HG3 MET C 16 15.698 0.363 -9.795 1.00 0.00 H new ATOM 0 HE1 MET C 16 14.968 -2.162 -12.300 1.00 0.00 H new ATOM 0 HE2 MET C 16 16.215 -1.715 -11.110 1.00 0.00 H new ATOM 0 HE3 MET C 16 15.270 -3.207 -10.891 1.00 0.00 H new ATOM 872 N LEU C 17 12.894 -1.786 -6.842 1.00 0.00 N ATOM 873 CA LEU C 17 11.584 -2.290 -7.196 1.00 0.00 C ATOM 874 C LEU C 17 10.954 -1.340 -8.178 1.00 0.00 C ATOM 875 O LEU C 17 11.095 -0.117 -8.067 1.00 0.00 O ATOM 876 CB LEU C 17 10.626 -2.431 -6.029 1.00 0.00 C ATOM 877 CG LEU C 17 10.936 -3.432 -4.904 1.00 0.00 C ATOM 878 CD1 LEU C 17 12.215 -4.206 -5.116 1.00 0.00 C ATOM 879 CD2 LEU C 17 10.922 -2.720 -3.577 1.00 0.00 C ATOM 0 H LEU C 17 12.887 -0.976 -6.223 1.00 0.00 H new ATOM 0 HA LEU C 17 11.748 -3.288 -7.603 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.525 -1.447 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU C 17 9.651 -2.694 -6.439 1.00 0.00 H new ATOM 0 HG LEU C 17 10.150 -4.187 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU C 17 12.368 -4.892 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU C 17 12.148 -4.773 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU C 17 13.054 -3.513 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU C 17 11.142 -3.431 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.675 -1.932 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU C 17 9.938 -2.281 -3.410 1.00 0.00 H new ATOM 891 N GLU C 18 10.247 -1.895 -9.114 1.00 0.00 N ATOM 892 CA GLU C 18 9.478 -1.102 -10.032 1.00 0.00 C ATOM 893 C GLU C 18 8.103 -0.987 -9.451 1.00 0.00 C ATOM 894 O GLU C 18 7.248 -1.849 -9.644 1.00 0.00 O ATOM 895 CB GLU C 18 9.452 -1.701 -11.411 1.00 0.00 C ATOM 896 CG GLU C 18 8.827 -0.793 -12.455 1.00 0.00 C ATOM 897 CD GLU C 18 8.838 -1.396 -13.838 1.00 0.00 C ATOM 898 OE1 GLU C 18 7.871 -2.101 -14.195 1.00 0.00 O ATOM 899 OE2 GLU C 18 9.812 -1.165 -14.581 1.00 0.00 O ATOM 0 H GLU C 18 10.185 -2.902 -9.265 1.00 0.00 H new ATOM 0 HA GLU C 18 9.929 -0.118 -10.156 1.00 0.00 H new ATOM 0 HB2 GLU C 18 10.471 -1.941 -11.713 1.00 0.00 H new ATOM 0 HB3 GLU C 18 8.899 -2.640 -11.380 1.00 0.00 H new ATOM 0 HG2 GLU C 18 7.799 -0.572 -12.168 1.00 0.00 H new ATOM 0 HG3 GLU C 18 9.364 0.155 -12.473 1.00 0.00 H new ATOM 906 N VAL C 19 7.920 0.057 -8.685 1.00 0.00 N ATOM 907 CA VAL C 19 6.749 0.190 -7.883 1.00 0.00 C ATOM 908 C VAL C 19 5.582 0.589 -8.748 1.00 0.00 C ATOM 909 O VAL C 19 5.485 1.718 -9.190 1.00 0.00 O ATOM 910 CB VAL C 19 6.990 1.220 -6.769 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.679 1.830 -6.301 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.687 0.569 -5.600 1.00 0.00 C ATOM 0 H VAL C 19 8.579 0.831 -8.605 1.00 0.00 H new ATOM 0 HA VAL C 19 6.518 -0.767 -7.415 1.00 0.00 H new ATOM 0 HB VAL C 19 7.620 2.012 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL C 19 5.877 2.556 -5.512 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.190 2.328 -7.138 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.029 1.044 -5.916 1.00 0.00 H new ATOM 0 HG21 VAL C 19 7.852 1.309 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.067 -0.239 -5.211 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.646 0.166 -5.926 1.00 0.00 H new ATOM 922 N LEU C 20 4.730 -0.350 -9.045 1.00 0.00 N ATOM 923 CA LEU C 20 3.518 -0.022 -9.743 1.00 0.00 C ATOM 924 C LEU C 20 2.457 0.232 -8.680 1.00 0.00 C ATOM 925 O LEU C 20 2.375 -0.504 -7.710 1.00 0.00 O ATOM 926 CB LEU C 20 3.087 -1.150 -10.696 1.00 0.00 C ATOM 927 CG LEU C 20 4.188 -2.072 -11.238 1.00 0.00 C ATOM 928 CD1 LEU C 20 3.577 -3.147 -12.116 1.00 0.00 C ATOM 929 CD2 LEU C 20 5.232 -1.305 -12.027 1.00 0.00 C ATOM 0 H LEU C 20 4.848 -1.338 -8.819 1.00 0.00 H new ATOM 0 HA LEU C 20 3.665 0.859 -10.368 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.354 -1.768 -10.177 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.577 -0.697 -11.546 1.00 0.00 H new ATOM 0 HG LEU C 20 4.684 -2.528 -10.381 1.00 0.00 H new ATOM 0 HD11 LEU C 20 4.365 -3.797 -12.497 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.871 -3.737 -11.531 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.056 -2.681 -12.952 1.00 0.00 H new ATOM 0 HD21 LEU C 20 5.992 -1.996 -12.392 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.757 -0.808 -12.873 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.699 -0.559 -11.384 1.00 0.00 H new ATOM 941 N VAL C 21 1.705 1.299 -8.826 1.00 0.00 N ATOM 942 CA VAL C 21 0.726 1.714 -7.827 1.00 0.00 C ATOM 943 C VAL C 21 -0.509 2.262 -8.534 1.00 0.00 C ATOM 944 O VAL C 21 -0.418 3.212 -9.311 1.00 0.00 O ATOM 945 CB VAL C 21 1.344 2.814 -6.913 1.00 0.00 C ATOM 946 CG1 VAL C 21 0.315 3.485 -6.028 1.00 0.00 C ATOM 947 CG2 VAL C 21 2.442 2.229 -6.060 1.00 0.00 C ATOM 0 H VAL C 21 1.749 1.911 -9.641 1.00 0.00 H new ATOM 0 HA VAL C 21 0.444 0.859 -7.212 1.00 0.00 H new ATOM 0 HB VAL C 21 1.753 3.578 -7.574 1.00 0.00 H new ATOM 0 HG11 VAL C 21 0.802 4.242 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL C 21 -0.447 3.957 -6.649 1.00 0.00 H new ATOM 0 HG13 VAL C 21 -0.152 2.740 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL C 21 2.865 3.009 -5.426 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.033 1.435 -5.435 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.222 1.820 -6.702 1.00 0.00 H new ATOM 957 N LYS C 22 -1.655 1.657 -8.280 1.00 0.00 N ATOM 958 CA LYS C 22 -2.885 2.079 -8.907 1.00 0.00 C ATOM 959 C LYS C 22 -3.600 3.022 -7.964 1.00 0.00 C ATOM 960 O LYS C 22 -3.420 2.954 -6.745 1.00 0.00 O ATOM 961 CB LYS C 22 -3.812 0.898 -9.244 1.00 0.00 C ATOM 962 CG LYS C 22 -3.242 -0.154 -10.200 1.00 0.00 C ATOM 963 CD LYS C 22 -4.339 -1.090 -10.716 1.00 0.00 C ATOM 964 CE LYS C 22 -5.475 -0.331 -11.389 1.00 0.00 C ATOM 965 NZ LYS C 22 -6.473 -1.254 -11.995 1.00 0.00 N ATOM 0 H LYS C 22 -1.755 0.869 -7.640 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.635 2.569 -9.848 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.088 0.402 -8.313 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -4.730 1.295 -9.678 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.758 0.341 -11.042 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.475 -0.736 -9.688 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -3.907 -1.797 -11.424 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -4.736 -1.674 -9.885 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -5.969 0.309 -10.657 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -5.069 0.323 -12.161 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -7.231 -0.700 -12.443 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -6.007 -1.847 -12.711 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -6.879 -1.861 -11.254 1.00 0.00 H new ATOM 979 N THR C 23 -4.408 3.883 -8.523 1.00 0.00 N ATOM 980 CA THR C 23 -5.117 4.880 -7.751 1.00 0.00 C ATOM 981 C THR C 23 -6.612 4.696 -7.930 1.00 0.00 C ATOM 982 O THR C 23 -7.051 3.997 -8.845 1.00 0.00 O ATOM 983 CB THR C 23 -4.715 6.307 -8.182 1.00 0.00 C ATOM 984 OG1 THR C 23 -4.931 6.476 -9.591 1.00 0.00 O ATOM 985 CG2 THR C 23 -3.255 6.587 -7.858 1.00 0.00 C ATOM 0 H THR C 23 -4.596 3.917 -9.525 1.00 0.00 H new ATOM 0 HA THR C 23 -4.852 4.752 -6.702 1.00 0.00 H new ATOM 0 HB THR C 23 -5.336 7.011 -7.628 1.00 0.00 H new ATOM 0 HG1 THR C 23 -4.675 7.384 -9.855 1.00 0.00 H new ATOM 0 HG21 THR C 23 -3.000 7.599 -8.173 1.00 0.00 H new ATOM 0 HG22 THR C 23 -3.096 6.490 -6.784 1.00 0.00 H new ATOM 0 HG23 THR C 23 -2.622 5.873 -8.385 1.00 0.00 H new ATOM 993 N LEU C 24 -7.393 5.325 -7.062 1.00 0.00 N ATOM 994 CA LEU C 24 -8.846 5.251 -7.137 1.00 0.00 C ATOM 995 C LEU C 24 -9.363 5.950 -8.388 1.00 0.00 C ATOM 996 O LEU C 24 -10.536 5.837 -8.741 1.00 0.00 O ATOM 997 CB LEU C 24 -9.464 5.858 -5.885 1.00 0.00 C ATOM 998 CG LEU C 24 -9.429 4.956 -4.651 1.00 0.00 C ATOM 999 CD1 LEU C 24 -9.627 5.767 -3.386 1.00 0.00 C ATOM 1000 CD2 LEU C 24 -10.495 3.878 -4.752 1.00 0.00 C ATOM 0 H LEU C 24 -7.042 5.896 -6.293 1.00 0.00 H new ATOM 0 HA LEU C 24 -9.137 4.202 -7.198 1.00 0.00 H new ATOM 0 HB2 LEU C 24 -8.943 6.787 -5.654 1.00 0.00 H new ATOM 0 HB3 LEU C 24 -10.501 6.118 -6.098 1.00 0.00 H new ATOM 0 HG LEU C 24 -8.449 4.480 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU C 24 -9.598 5.105 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU C 24 -8.833 6.509 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU C 24 -10.592 6.272 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU C 24 -10.457 3.244 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU C 24 -11.478 4.344 -4.823 1.00 0.00 H new ATOM 0 HD23 LEU C 24 -10.316 3.271 -5.640 1.00 0.00 H new ATOM 1012 N ASP C 25 -8.465 6.665 -9.058 1.00 0.00 N ATOM 1013 CA ASP C 25 -8.748 7.245 -10.367 1.00 0.00 C ATOM 1014 C ASP C 25 -8.727 6.160 -11.441 1.00 0.00 C ATOM 1015 O ASP C 25 -8.852 6.453 -12.628 1.00 0.00 O ATOM 1016 CB ASP C 25 -7.723 8.326 -10.724 1.00 0.00 C ATOM 1017 CG ASP C 25 -7.754 9.517 -9.790 1.00 0.00 C ATOM 1018 OD1 ASP C 25 -8.583 10.428 -10.003 1.00 0.00 O ATOM 1019 OD2 ASP C 25 -6.934 9.560 -8.849 1.00 0.00 O ATOM 0 H ASP C 25 -7.525 6.858 -8.712 1.00 0.00 H new ATOM 0 HA ASP C 25 -9.738 7.699 -10.322 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -6.725 7.888 -10.710 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -7.907 8.668 -11.743 1.00 0.00 H new ATOM 1024 N SER C 26 -8.527 4.912 -11.005 1.00 0.00 N ATOM 1025 CA SER C 26 -8.546 3.741 -11.884 1.00 0.00 C ATOM 1026 C SER C 26 -7.287 3.655 -12.744 1.00 0.00 C ATOM 1027 O SER C 26 -7.236 2.903 -13.719 1.00 0.00 O ATOM 1028 CB SER C 26 -9.791 3.754 -12.768 1.00 0.00 C ATOM 1029 OG SER C 26 -10.977 3.765 -11.983 1.00 0.00 O ATOM 0 H SER C 26 -8.347 4.686 -10.027 1.00 0.00 H new ATOM 0 HA SER C 26 -8.572 2.857 -11.247 1.00 0.00 H new ATOM 0 HB2 SER C 26 -9.772 4.631 -13.415 1.00 0.00 H new ATOM 0 HB3 SER C 26 -9.789 2.878 -13.417 1.00 0.00 H new ATOM 0 HG SER C 26 -11.760 3.775 -12.573 1.00 0.00 H new ATOM 1035 N GLN C 27 -6.278 4.423 -12.377 1.00 0.00 N ATOM 1036 CA GLN C 27 -5.032 4.450 -13.098 1.00 0.00 C ATOM 1037 C GLN C 27 -4.018 3.497 -12.485 1.00 0.00 C ATOM 1038 O GLN C 27 -4.295 2.803 -11.511 1.00 0.00 O ATOM 1039 CB GLN C 27 -4.476 5.866 -13.093 1.00 0.00 C ATOM 1040 CG GLN C 27 -5.428 6.863 -13.715 1.00 0.00 C ATOM 1041 CD GLN C 27 -4.946 8.287 -13.620 1.00 0.00 C ATOM 1042 OE1 GLN C 27 -3.744 8.553 -13.532 1.00 0.00 O ATOM 1043 NE2 GLN C 27 -5.876 9.216 -13.683 1.00 0.00 N ATOM 0 H GLN C 27 -6.306 5.044 -11.569 1.00 0.00 H new ATOM 0 HA GLN C 27 -5.220 4.128 -14.122 1.00 0.00 H new ATOM 0 HB2 GLN C 27 -4.261 6.165 -12.067 1.00 0.00 H new ATOM 0 HB3 GLN C 27 -3.531 5.884 -13.635 1.00 0.00 H new ATOM 0 HG2 GLN C 27 -5.577 6.607 -14.764 1.00 0.00 H new ATOM 0 HG3 GLN C 27 -6.399 6.782 -13.226 1.00 0.00 H new ATOM 0 HE21 GLN C 27 -6.858 8.950 -13.755 1.00 0.00 H new ATOM 0 HE22 GLN C 27 -5.615 10.202 -13.660 1.00 0.00 H new ATOM 1052 N THR C 28 -2.848 3.506 -13.076 1.00 0.00 N ATOM 1053 CA THR C 28 -1.708 2.702 -12.653 1.00 0.00 C ATOM 1054 C THR C 28 -0.433 3.517 -12.880 1.00 0.00 C ATOM 1055 O THR C 28 -0.127 3.867 -14.022 1.00 0.00 O ATOM 1056 CB THR C 28 -1.590 1.410 -13.481 1.00 0.00 C ATOM 1057 OG1 THR C 28 -2.718 0.558 -13.248 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.296 0.685 -13.144 1.00 0.00 C ATOM 0 H THR C 28 -2.648 4.088 -13.890 1.00 0.00 H new ATOM 0 HA THR C 28 -1.845 2.439 -11.604 1.00 0.00 H new ATOM 0 HB THR C 28 -1.575 1.676 -14.538 1.00 0.00 H new ATOM 0 HG1 THR C 28 -2.628 -0.258 -13.783 1.00 0.00 H new ATOM 0 HG21 THR C 28 -0.225 -0.227 -13.737 1.00 0.00 H new ATOM 0 HG22 THR C 28 0.552 1.331 -13.369 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.287 0.431 -12.084 1.00 0.00 H new ATOM 1066 N ARG C 29 0.306 3.836 -11.830 1.00 0.00 N ATOM 1067 CA ARG C 29 1.514 4.629 -12.001 1.00 0.00 C ATOM 1068 C ARG C 29 2.690 3.966 -11.312 1.00 0.00 C ATOM 1069 O ARG C 29 2.514 3.243 -10.341 1.00 0.00 O ATOM 1070 CB ARG C 29 1.324 6.039 -11.457 1.00 0.00 C ATOM 1071 CG ARG C 29 0.141 6.773 -12.045 1.00 0.00 C ATOM 1072 CD ARG C 29 -0.021 8.153 -11.431 1.00 0.00 C ATOM 1073 NE ARG C 29 -1.176 8.867 -11.972 1.00 0.00 N ATOM 1074 CZ ARG C 29 -1.419 10.159 -11.749 1.00 0.00 C ATOM 1075 NH1 ARG C 29 -0.583 10.876 -11.010 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -2.498 10.729 -12.269 1.00 0.00 N ATOM 0 H ARG C 29 0.098 3.565 -10.869 1.00 0.00 H new ATOM 0 HA ARG C 29 1.720 4.694 -13.069 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.204 5.986 -10.375 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.228 6.616 -11.650 1.00 0.00 H new ATOM 0 HG2 ARG C 29 0.269 6.867 -13.123 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.767 6.192 -11.881 1.00 0.00 H new ATOM 0 HD2 ARG C 29 -0.129 8.057 -10.351 1.00 0.00 H new ATOM 0 HD3 ARG C 29 0.882 8.737 -11.611 1.00 0.00 H new ATOM 0 HE ARG C 29 -1.834 8.347 -12.553 1.00 0.00 H new ATOM 0 HH11 ARG C 29 0.248 10.439 -10.611 1.00 0.00 H new ATOM 0 HH12 ARG C 29 -0.771 11.864 -10.841 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -3.141 10.179 -12.839 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -2.685 11.717 -12.099 1.00 0.00 H new ATOM 1090 N THR C 30 3.881 4.200 -11.825 1.00 0.00 N ATOM 1091 CA THR C 30 5.056 3.578 -11.330 1.00 0.00 C ATOM 1092 C THR C 30 5.910 4.533 -10.496 1.00 0.00 C ATOM 1093 O THR C 30 6.013 5.722 -10.804 1.00 0.00 O ATOM 1094 CB THR C 30 5.847 3.082 -12.516 1.00 0.00 C ATOM 1095 OG1 THR C 30 5.826 4.050 -13.576 1.00 0.00 O ATOM 1096 CG2 THR C 30 5.302 1.765 -13.013 1.00 0.00 C ATOM 0 H THR C 30 4.044 4.837 -12.605 1.00 0.00 H new ATOM 0 HA THR C 30 4.772 2.757 -10.672 1.00 0.00 H new ATOM 0 HB THR C 30 6.877 2.933 -12.193 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.345 3.714 -14.336 1.00 0.00 H new ATOM 0 HG21 THR C 30 5.888 1.428 -13.868 1.00 0.00 H new ATOM 0 HG22 THR C 30 5.362 1.023 -12.217 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.262 1.892 -13.314 1.00 0.00 H new ATOM 1104 N PHE C 31 6.535 3.994 -9.451 1.00 0.00 N ATOM 1105 CA PHE C 31 7.289 4.788 -8.492 1.00 0.00 C ATOM 1106 C PHE C 31 8.561 4.078 -8.118 1.00 0.00 C ATOM 1107 O PHE C 31 8.777 3.696 -6.968 1.00 0.00 O ATOM 1108 CB PHE C 31 6.463 5.018 -7.250 1.00 0.00 C ATOM 1109 CG PHE C 31 5.211 5.737 -7.532 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.283 6.936 -8.184 1.00 0.00 C ATOM 1111 CD2 PHE C 31 3.987 5.245 -7.125 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.147 7.659 -8.448 1.00 0.00 C ATOM 1113 CE2 PHE C 31 2.837 5.954 -7.388 1.00 0.00 C ATOM 1114 CZ PHE C 31 2.915 7.170 -8.051 1.00 0.00 C ATOM 0 H PHE C 31 6.531 2.994 -9.248 1.00 0.00 H new ATOM 0 HA PHE C 31 7.532 5.747 -8.949 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.231 4.058 -6.789 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.049 5.585 -6.527 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.244 7.318 -8.495 1.00 0.00 H new ATOM 0 HD2 PHE C 31 3.932 4.303 -6.600 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.214 8.606 -8.963 1.00 0.00 H new ATOM 0 HE2 PHE C 31 1.878 5.565 -7.079 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.017 7.733 -8.257 1.00 0.00 H new ATOM 1124 N ILE C 32 9.383 3.888 -9.108 1.00 0.00 N ATOM 1125 CA ILE C 32 10.581 3.110 -8.974 1.00 0.00 C ATOM 1126 C ILE C 32 11.556 3.623 -7.959 1.00 0.00 C ATOM 1127 O ILE C 32 12.037 4.760 -7.997 1.00 0.00 O ATOM 1128 CB ILE C 32 11.248 2.933 -10.312 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.349 2.103 -11.096 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.546 2.200 -10.184 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.523 2.818 -12.135 1.00 0.00 C ATOM 0 H ILE C 32 9.240 4.273 -10.042 1.00 0.00 H new ATOM 0 HA ILE C 32 10.255 2.143 -8.590 1.00 0.00 H new ATOM 0 HB ILE C 32 11.448 3.906 -10.760 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.939 1.335 -11.596 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.672 1.590 -10.413 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.000 2.090 -11.169 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.218 2.761 -9.535 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.366 1.214 -9.755 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.892 2.098 -12.656 1.00 0.00 H new ATOM 0 HD12 ILE C 32 8.896 3.566 -11.650 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.183 3.307 -12.851 1.00 0.00 H new ATOM 1143 N VAL C 33 11.818 2.717 -7.060 1.00 0.00 N ATOM 1144 CA VAL C 33 12.739 2.922 -5.951 1.00 0.00 C ATOM 1145 C VAL C 33 13.583 1.696 -5.668 1.00 0.00 C ATOM 1146 O VAL C 33 13.648 0.774 -6.470 1.00 0.00 O ATOM 1147 CB VAL C 33 11.975 3.277 -4.674 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.355 4.619 -4.846 1.00 0.00 C ATOM 1149 CG2 VAL C 33 10.917 2.232 -4.371 1.00 0.00 C ATOM 0 H VAL C 33 11.393 1.790 -7.068 1.00 0.00 H new ATOM 0 HA VAL C 33 13.395 3.741 -6.247 1.00 0.00 H new ATOM 0 HB VAL C 33 12.665 3.298 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.807 4.885 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL C 33 12.134 5.359 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.669 4.597 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.387 2.505 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.211 2.179 -5.199 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.393 1.261 -4.237 1.00 0.00 H new ATOM 1159 N GLY C 34 14.227 1.713 -4.515 1.00 0.00 N ATOM 1160 CA GLY C 34 14.978 0.554 -4.052 1.00 0.00 C ATOM 1161 C GLY C 34 14.071 -0.493 -3.427 1.00 0.00 C ATOM 1162 O GLY C 34 12.869 -0.273 -3.307 1.00 0.00 O ATOM 0 H GLY C 34 14.247 2.512 -3.882 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.519 0.113 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY C 34 15.723 0.871 -3.323 1.00 0.00 H new ATOM 1166 N ALA C 35 14.642 -1.620 -3.006 1.00 0.00 N ATOM 1167 CA ALA C 35 13.854 -2.716 -2.431 1.00 0.00 C ATOM 1168 C ALA C 35 13.503 -2.446 -0.981 1.00 0.00 C ATOM 1169 O ALA C 35 12.677 -3.130 -0.386 1.00 0.00 O ATOM 1170 CB ALA C 35 14.614 -4.016 -2.500 1.00 0.00 C ATOM 0 H ALA C 35 15.645 -1.801 -3.051 1.00 0.00 H new ATOM 0 HA ALA C 35 12.938 -2.787 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.010 -4.814 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA C 35 14.837 -4.252 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.545 -3.923 -1.942 1.00 0.00 H new ATOM 1176 N GLN C 36 14.187 -1.490 -0.408 1.00 0.00 N ATOM 1177 CA GLN C 36 13.956 -1.090 0.962 1.00 0.00 C ATOM 1178 C GLN C 36 14.563 0.274 1.148 1.00 0.00 C ATOM 1179 O GLN C 36 14.978 0.656 2.239 1.00 0.00 O ATOM 1180 CB GLN C 36 14.568 -2.113 1.919 1.00 0.00 C ATOM 1181 CG GLN C 36 16.069 -2.295 1.751 1.00 0.00 C ATOM 1182 CD GLN C 36 16.511 -3.708 2.060 1.00 0.00 C ATOM 1183 OE1 GLN C 36 17.500 -4.197 1.519 1.00 0.00 O ATOM 1184 NE2 GLN C 36 15.775 -4.384 2.921 1.00 0.00 N ATOM 0 H GLN C 36 14.923 -0.963 -0.877 1.00 0.00 H new ATOM 0 HA GLN C 36 12.889 -1.047 1.181 1.00 0.00 H new ATOM 0 HB2 GLN C 36 14.362 -1.805 2.944 1.00 0.00 H new ATOM 0 HB3 GLN C 36 14.077 -3.074 1.770 1.00 0.00 H new ATOM 0 HG2 GLN C 36 16.352 -2.043 0.729 1.00 0.00 H new ATOM 0 HG3 GLN C 36 16.593 -1.600 2.407 1.00 0.00 H new ATOM 0 HE21 GLN C 36 14.961 -3.945 3.351 1.00 0.00 H new ATOM 0 HE22 GLN C 36 16.020 -5.345 3.157 1.00 0.00 H new ATOM 1193 N MET C 37 14.607 0.993 0.038 1.00 0.00 N ATOM 1194 CA MET C 37 15.247 2.285 -0.031 1.00 0.00 C ATOM 1195 C MET C 37 14.662 3.278 0.970 1.00 0.00 C ATOM 1196 O MET C 37 15.272 3.566 1.996 1.00 0.00 O ATOM 1197 CB MET C 37 15.118 2.828 -1.433 1.00 0.00 C ATOM 1198 CG MET C 37 16.391 3.459 -1.941 1.00 0.00 C ATOM 1199 SD MET C 37 16.202 4.197 -3.574 1.00 0.00 S ATOM 1200 CE MET C 37 15.056 5.527 -3.225 1.00 0.00 C ATOM 0 H MET C 37 14.195 0.689 -0.844 1.00 0.00 H new ATOM 0 HA MET C 37 16.297 2.152 0.229 1.00 0.00 H new ATOM 0 HB2 MET C 37 14.827 2.020 -2.104 1.00 0.00 H new ATOM 0 HB3 MET C 37 14.318 3.567 -1.458 1.00 0.00 H new ATOM 0 HG2 MET C 37 16.718 4.224 -1.237 1.00 0.00 H new ATOM 0 HG3 MET C 37 17.176 2.704 -1.977 1.00 0.00 H new ATOM 0 HE1 MET C 37 15.125 6.282 -4.008 1.00 0.00 H new ATOM 0 HE2 MET C 37 14.041 5.132 -3.190 1.00 0.00 H new ATOM 0 HE3 MET C 37 15.303 5.978 -2.264 1.00 0.00 H new ATOM 1210 N ASN C 38 13.484 3.804 0.672 1.00 0.00 N ATOM 1211 CA ASN C 38 12.867 4.798 1.521 1.00 0.00 C ATOM 1212 C ASN C 38 11.523 4.352 1.994 1.00 0.00 C ATOM 1213 O ASN C 38 11.382 3.847 3.097 1.00 0.00 O ATOM 1214 CB ASN C 38 12.723 6.118 0.774 1.00 0.00 C ATOM 1215 CG ASN C 38 14.041 6.809 0.513 1.00 0.00 C ATOM 1216 OD1 ASN C 38 15.008 6.588 1.383 1.00 0.00 O flip ATOM 1217 ND2 ASN C 38 14.191 7.529 -0.472 1.00 0.00 N flip ATOM 0 H ASN C 38 12.939 3.555 -0.154 1.00 0.00 H new ATOM 0 HA ASN C 38 13.514 4.935 2.388 1.00 0.00 H new ATOM 0 HB2 ASN C 38 12.223 5.936 -0.177 1.00 0.00 H new ATOM 0 HB3 ASN C 38 12.080 6.784 1.350 1.00 0.00 H new ATOM 0 HD21 ASN C 38 13.417 7.674 -1.121 1.00 0.00 H new ATOM 0 HD22 ASN C 38 15.089 7.982 -0.641 1.00 0.00 H new ATOM 1224 N VAL C 39 10.557 4.556 1.133 1.00 0.00 N ATOM 1225 CA VAL C 39 9.158 4.335 1.417 1.00 0.00 C ATOM 1226 C VAL C 39 8.532 5.454 2.233 1.00 0.00 C ATOM 1227 O VAL C 39 7.342 5.705 2.145 1.00 0.00 O ATOM 1228 CB VAL C 39 8.871 2.973 2.014 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.618 3.081 3.460 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.666 2.426 1.332 1.00 0.00 C ATOM 0 H VAL C 39 10.727 4.891 0.185 1.00 0.00 H new ATOM 0 HA VAL C 39 8.671 4.348 0.442 1.00 0.00 H new ATOM 0 HB VAL C 39 9.730 2.317 1.873 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.414 2.091 3.869 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.494 3.503 3.952 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.758 3.729 3.632 1.00 0.00 H new ATOM 0 HG21 VAL C 39 7.432 1.443 1.740 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.821 3.096 1.493 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.861 2.338 0.263 1.00 0.00 H new ATOM 1240 N LYS C 40 9.343 6.142 2.976 1.00 0.00 N ATOM 1241 CA LYS C 40 8.912 7.278 3.743 1.00 0.00 C ATOM 1242 C LYS C 40 8.961 8.508 2.872 1.00 0.00 C ATOM 1243 O LYS C 40 7.944 9.077 2.479 1.00 0.00 O ATOM 1244 CB LYS C 40 9.841 7.440 4.935 1.00 0.00 C ATOM 1245 CG LYS C 40 10.428 6.144 5.432 1.00 0.00 C ATOM 1246 CD LYS C 40 11.892 6.025 5.044 1.00 0.00 C ATOM 1247 CE LYS C 40 12.745 6.998 5.855 1.00 0.00 C ATOM 1248 NZ LYS C 40 14.171 6.992 5.448 1.00 0.00 N ATOM 0 H LYS C 40 10.336 5.931 3.070 1.00 0.00 H new ATOM 0 HA LYS C 40 7.891 7.136 4.097 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.653 8.114 4.662 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.293 7.915 5.749 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.330 6.088 6.516 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.869 5.305 5.018 1.00 0.00 H new ATOM 0 HD2 LYS C 40 12.236 5.004 5.212 1.00 0.00 H new ATOM 0 HD3 LYS C 40 12.009 6.230 3.980 1.00 0.00 H new ATOM 0 HE2 LYS C 40 12.344 8.005 5.742 1.00 0.00 H new ATOM 0 HE3 LYS C 40 12.673 6.743 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 14.773 7.091 6.290 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 14.391 6.096 4.968 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 14.350 7.785 4.799 1.00 0.00 H new ATOM 1262 N GLU C 41 10.180 8.870 2.566 1.00 0.00 N ATOM 1263 CA GLU C 41 10.497 9.892 1.609 1.00 0.00 C ATOM 1264 C GLU C 41 9.895 9.547 0.250 1.00 0.00 C ATOM 1265 O GLU C 41 9.495 10.414 -0.514 1.00 0.00 O ATOM 1266 CB GLU C 41 12.009 9.954 1.527 1.00 0.00 C ATOM 1267 CG GLU C 41 12.668 10.184 2.874 1.00 0.00 C ATOM 1268 CD GLU C 41 14.088 9.672 2.925 1.00 0.00 C ATOM 1269 OE1 GLU C 41 15.016 10.434 2.579 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.282 8.504 3.322 1.00 0.00 O ATOM 0 H GLU C 41 11.004 8.446 2.991 1.00 0.00 H new ATOM 0 HA GLU C 41 10.086 10.856 1.908 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.382 9.023 1.101 1.00 0.00 H new ATOM 0 HB3 GLU C 41 12.298 10.755 0.846 1.00 0.00 H new ATOM 0 HG2 GLU C 41 12.663 11.251 3.099 1.00 0.00 H new ATOM 0 HG3 GLU C 41 12.081 9.692 3.649 1.00 0.00 H new ATOM 1277 N PHE C 42 9.835 8.251 -0.014 1.00 0.00 N ATOM 1278 CA PHE C 42 9.237 7.701 -1.208 1.00 0.00 C ATOM 1279 C PHE C 42 7.741 8.028 -1.243 1.00 0.00 C ATOM 1280 O PHE C 42 7.230 8.534 -2.242 1.00 0.00 O ATOM 1281 CB PHE C 42 9.520 6.201 -1.154 1.00 0.00 C ATOM 1282 CG PHE C 42 8.732 5.299 -2.054 1.00 0.00 C ATOM 1283 CD1 PHE C 42 7.957 5.777 -3.083 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.783 3.939 -1.834 1.00 0.00 C ATOM 1285 CE1 PHE C 42 7.231 4.911 -3.876 1.00 0.00 C ATOM 1286 CE2 PHE C 42 8.069 3.067 -2.618 1.00 0.00 C ATOM 1287 CZ PHE C 42 7.291 3.552 -3.639 1.00 0.00 C ATOM 0 H PHE C 42 10.211 7.541 0.614 1.00 0.00 H new ATOM 0 HA PHE C 42 9.649 8.124 -2.124 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.577 6.053 -1.377 1.00 0.00 H new ATOM 0 HB3 PHE C 42 9.361 5.869 -0.128 1.00 0.00 H new ATOM 0 HD1 PHE C 42 7.915 6.839 -3.273 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.395 3.553 -1.032 1.00 0.00 H new ATOM 0 HE1 PHE C 42 6.619 5.295 -4.678 1.00 0.00 H new ATOM 0 HE2 PHE C 42 8.119 2.004 -2.432 1.00 0.00 H new ATOM 0 HZ PHE C 42 6.725 2.871 -4.257 1.00 0.00 H new ATOM 1297 N LYS C 43 7.048 7.742 -0.150 1.00 0.00 N ATOM 1298 CA LYS C 43 5.633 8.068 -0.034 1.00 0.00 C ATOM 1299 C LYS C 43 5.422 9.566 -0.196 1.00 0.00 C ATOM 1300 O LYS C 43 4.566 10.002 -0.962 1.00 0.00 O ATOM 1301 CB LYS C 43 5.102 7.619 1.325 1.00 0.00 C ATOM 1302 CG LYS C 43 4.071 6.494 1.278 1.00 0.00 C ATOM 1303 CD LYS C 43 4.693 5.117 1.059 1.00 0.00 C ATOM 1304 CE LYS C 43 5.323 4.970 -0.319 1.00 0.00 C ATOM 1305 NZ LYS C 43 4.321 5.106 -1.410 1.00 0.00 N ATOM 0 H LYS C 43 7.443 7.284 0.671 1.00 0.00 H new ATOM 0 HA LYS C 43 5.090 7.546 -0.822 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.943 7.294 1.937 1.00 0.00 H new ATOM 0 HB3 LYS C 43 4.656 8.479 1.826 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.508 6.487 2.211 1.00 0.00 H new ATOM 0 HG3 LYS C 43 3.359 6.695 0.478 1.00 0.00 H new ATOM 0 HD2 LYS C 43 5.451 4.940 1.822 1.00 0.00 H new ATOM 0 HD3 LYS C 43 3.927 4.352 1.187 1.00 0.00 H new ATOM 0 HE2 LYS C 43 6.099 5.725 -0.444 1.00 0.00 H new ATOM 0 HE3 LYS C 43 5.809 3.997 -0.393 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 4.151 4.176 -1.843 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 3.430 5.474 -1.019 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 4.680 5.763 -2.132 1.00 0.00 H new ATOM 1319 N GLU C 44 6.224 10.337 0.527 1.00 0.00 N ATOM 1320 CA GLU C 44 6.201 11.781 0.465 1.00 0.00 C ATOM 1321 C GLU C 44 6.444 12.284 -0.961 1.00 0.00 C ATOM 1322 O GLU C 44 5.918 13.314 -1.373 1.00 0.00 O ATOM 1323 CB GLU C 44 7.282 12.305 1.384 1.00 0.00 C ATOM 1324 CG GLU C 44 7.026 13.706 1.863 1.00 0.00 C ATOM 1325 CD GLU C 44 8.093 14.200 2.811 1.00 0.00 C ATOM 1326 OE1 GLU C 44 9.158 14.641 2.338 1.00 0.00 O ATOM 1327 OE2 GLU C 44 7.872 14.144 4.040 1.00 0.00 O ATOM 0 H GLU C 44 6.915 9.966 1.179 1.00 0.00 H new ATOM 0 HA GLU C 44 5.219 12.139 0.775 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.369 11.644 2.246 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.239 12.276 0.862 1.00 0.00 H new ATOM 0 HG2 GLU C 44 6.970 14.375 1.004 1.00 0.00 H new ATOM 0 HG3 GLU C 44 6.057 13.744 2.361 1.00 0.00 H new ATOM 1334 N HIS C 45 7.254 11.543 -1.698 1.00 0.00 N ATOM 1335 CA HIS C 45 7.625 11.901 -3.060 1.00 0.00 C ATOM 1336 C HIS C 45 6.448 11.761 -4.006 1.00 0.00 C ATOM 1337 O HIS C 45 6.136 12.675 -4.764 1.00 0.00 O ATOM 1338 CB HIS C 45 8.748 10.995 -3.528 1.00 0.00 C ATOM 1339 CG HIS C 45 9.564 11.562 -4.647 1.00 0.00 C ATOM 1340 ND1 HIS C 45 9.316 11.291 -5.977 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.637 12.385 -4.628 1.00 0.00 C ATOM 1342 CE1 HIS C 45 10.202 11.921 -6.724 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.012 12.592 -5.929 1.00 0.00 N ATOM 0 H HIS C 45 7.675 10.674 -1.370 1.00 0.00 H new ATOM 0 HA HIS C 45 7.948 12.942 -3.063 1.00 0.00 H new ATOM 0 HB2 HIS C 45 9.405 10.783 -2.684 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.323 10.043 -3.848 1.00 0.00 H new ATOM 0 HD2 HIS C 45 11.110 12.801 -3.751 1.00 0.00 H new ATOM 0 HE1 HIS C 45 10.255 11.892 -7.802 1.00 0.00 H new ATOM 0 HE2 HIS C 45 11.793 13.173 -6.234 1.00 0.00 H new ATOM 1352 N ILE C 46 5.807 10.602 -3.964 1.00 0.00 N ATOM 1353 CA ILE C 46 4.705 10.309 -4.857 1.00 0.00 C ATOM 1354 C ILE C 46 3.455 11.055 -4.423 1.00 0.00 C ATOM 1355 O ILE C 46 2.497 11.169 -5.189 1.00 0.00 O ATOM 1356 CB ILE C 46 4.410 8.797 -4.907 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.737 8.302 -3.635 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.690 8.016 -5.107 1.00 0.00 C ATOM 1359 CD1 ILE C 46 3.200 6.897 -3.778 1.00 0.00 C ATOM 0 H ILE C 46 6.036 9.848 -3.316 1.00 0.00 H new ATOM 0 HA ILE C 46 4.996 10.639 -5.854 1.00 0.00 H new ATOM 0 HB ILE C 46 3.732 8.638 -5.745 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.452 8.333 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.921 8.975 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.464 6.950 -5.140 1.00 0.00 H new ATOM 0 HG22 ILE C 46 6.157 8.317 -6.044 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.372 8.217 -4.281 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.730 6.590 -2.844 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.464 6.869 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE C 46 4.019 6.217 -4.012 1.00 0.00 H new ATOM 1371 N ALA C 47 3.497 11.572 -3.193 1.00 0.00 N ATOM 1372 CA ALA C 47 2.378 12.280 -2.582 1.00 0.00 C ATOM 1373 C ALA C 47 1.660 13.220 -3.546 1.00 0.00 C ATOM 1374 O ALA C 47 0.464 13.084 -3.758 1.00 0.00 O ATOM 1375 CB ALA C 47 2.860 13.059 -1.372 1.00 0.00 C ATOM 0 H ALA C 47 4.318 11.509 -2.591 1.00 0.00 H new ATOM 0 HA ALA C 47 1.654 11.522 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA C 47 2.020 13.586 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA C 47 3.291 12.371 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.616 13.780 -1.681 1.00 0.00 H new ATOM 1381 N ALA C 48 2.379 14.160 -4.135 1.00 0.00 N ATOM 1382 CA ALA C 48 1.748 15.154 -4.997 1.00 0.00 C ATOM 1383 C ALA C 48 1.168 14.539 -6.260 1.00 0.00 C ATOM 1384 O ALA C 48 0.062 14.891 -6.670 1.00 0.00 O ATOM 1385 CB ALA C 48 2.726 16.226 -5.380 1.00 0.00 C ATOM 0 H ALA C 48 3.389 14.259 -4.036 1.00 0.00 H new ATOM 0 HA ALA C 48 0.930 15.586 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA C 48 2.233 16.956 -6.023 1.00 0.00 H new ATOM 0 HB2 ALA C 48 3.092 16.723 -4.481 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.564 15.780 -5.915 1.00 0.00 H new ATOM 1391 N SER C 49 1.918 13.633 -6.878 1.00 0.00 N ATOM 1392 CA SER C 49 1.473 12.990 -8.101 1.00 0.00 C ATOM 1393 C SER C 49 0.145 12.293 -7.881 1.00 0.00 C ATOM 1394 O SER C 49 -0.780 12.402 -8.687 1.00 0.00 O ATOM 1395 CB SER C 49 2.500 12.010 -8.591 1.00 0.00 C ATOM 1396 OG SER C 49 2.038 11.264 -9.707 1.00 0.00 O ATOM 0 H SER C 49 2.835 13.330 -6.550 1.00 0.00 H new ATOM 0 HA SER C 49 1.342 13.760 -8.861 1.00 0.00 H new ATOM 0 HB2 SER C 49 3.409 12.545 -8.865 1.00 0.00 H new ATOM 0 HB3 SER C 49 2.763 11.327 -7.783 1.00 0.00 H new ATOM 0 HG SER C 49 2.736 10.640 -9.995 1.00 0.00 H new ATOM 1402 N VAL C 50 0.046 11.604 -6.761 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.160 10.882 -6.426 1.00 0.00 C ATOM 1404 C VAL C 50 -2.145 11.769 -5.674 1.00 0.00 C ATOM 1405 O VAL C 50 -3.272 11.355 -5.411 1.00 0.00 O ATOM 1406 CB VAL C 50 -0.847 9.613 -5.607 1.00 0.00 C ATOM 1407 CG1 VAL C 50 -0.023 8.640 -6.436 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.120 9.951 -4.314 1.00 0.00 C ATOM 0 H VAL C 50 0.790 11.531 -6.067 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.623 10.576 -7.364 1.00 0.00 H new ATOM 0 HB VAL C 50 -1.795 9.143 -5.345 1.00 0.00 H new ATOM 0 HG11 VAL C 50 0.191 7.749 -5.845 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.582 8.358 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.914 9.114 -6.729 1.00 0.00 H new ATOM 0 HG21 VAL C 50 0.085 9.034 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.819 10.453 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -0.743 10.608 -3.707 1.00 0.00 H new ATOM 1418 N SER C 51 -1.713 12.995 -5.330 1.00 0.00 N ATOM 1419 CA SER C 51 -2.564 13.956 -4.638 1.00 0.00 C ATOM 1420 C SER C 51 -2.848 13.458 -3.233 1.00 0.00 C ATOM 1421 O SER C 51 -3.816 13.865 -2.586 1.00 0.00 O ATOM 1422 CB SER C 51 -3.866 14.194 -5.411 1.00 0.00 C ATOM 1423 OG SER C 51 -3.593 14.522 -6.767 1.00 0.00 O ATOM 0 H SER C 51 -0.772 13.337 -5.525 1.00 0.00 H new ATOM 0 HA SER C 51 -2.044 14.912 -4.577 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.490 13.301 -5.366 1.00 0.00 H new ATOM 0 HB3 SER C 51 -4.430 15.001 -4.943 1.00 0.00 H new ATOM 0 HG SER C 51 -4.436 14.669 -7.244 1.00 0.00 H new ATOM 1429 N ILE C 52 -1.983 12.570 -2.770 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.124 11.988 -1.460 1.00 0.00 C ATOM 1431 C ILE C 52 -0.824 12.083 -0.668 1.00 0.00 C ATOM 1432 O ILE C 52 0.149 11.398 -0.981 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.528 10.507 -1.512 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -3.779 10.288 -2.362 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -2.776 10.032 -0.094 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.056 10.556 -1.606 1.00 0.00 C ATOM 0 H ILE C 52 -1.172 12.239 -3.293 1.00 0.00 H new ATOM 0 HA ILE C 52 -2.914 12.560 -0.973 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.722 9.938 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.737 10.938 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -3.788 9.261 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.065 8.981 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -1.866 10.151 0.494 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.576 10.622 0.353 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -5.910 10.384 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.117 9.888 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.065 11.590 -1.262 1.00 0.00 H new ATOM 1448 N PRO C 53 -0.804 12.895 0.393 1.00 0.00 N ATOM 1449 CA PRO C 53 0.369 13.057 1.242 1.00 0.00 C ATOM 1450 C PRO C 53 0.621 11.820 2.088 1.00 0.00 C ATOM 1451 O PRO C 53 -0.310 11.137 2.494 1.00 0.00 O ATOM 1452 CB PRO C 53 0.024 14.235 2.137 1.00 0.00 C ATOM 1453 CG PRO C 53 -1.262 14.796 1.631 1.00 0.00 C ATOM 1454 CD PRO C 53 -1.932 13.698 0.867 1.00 0.00 C ATOM 0 HA PRO C 53 1.273 13.213 0.654 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.074 13.917 3.175 1.00 0.00 H new ATOM 0 HB3 PRO C 53 0.812 14.987 2.108 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -1.889 15.134 2.456 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -1.083 15.661 0.992 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -2.604 13.117 1.499 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -2.528 14.086 0.041 1.00 0.00 H new ATOM 1462 N SER C 54 1.898 11.565 2.354 1.00 0.00 N ATOM 1463 CA SER C 54 2.364 10.376 3.070 1.00 0.00 C ATOM 1464 C SER C 54 1.625 10.152 4.394 1.00 0.00 C ATOM 1465 O SER C 54 1.538 9.020 4.866 1.00 0.00 O ATOM 1466 CB SER C 54 3.878 10.486 3.308 1.00 0.00 C ATOM 1467 OG SER C 54 4.377 9.402 4.077 1.00 0.00 O ATOM 0 H SER C 54 2.655 12.189 2.074 1.00 0.00 H new ATOM 0 HA SER C 54 2.147 9.508 2.447 1.00 0.00 H new ATOM 0 HB2 SER C 54 4.394 10.517 2.348 1.00 0.00 H new ATOM 0 HB3 SER C 54 4.097 11.424 3.819 1.00 0.00 H new ATOM 0 HG SER C 54 5.343 9.509 4.204 1.00 0.00 H new ATOM 1473 N GLU C 55 1.089 11.221 4.980 1.00 0.00 N ATOM 1474 CA GLU C 55 0.375 11.116 6.254 1.00 0.00 C ATOM 1475 C GLU C 55 -1.042 10.566 6.065 1.00 0.00 C ATOM 1476 O GLU C 55 -1.649 10.051 7.005 1.00 0.00 O ATOM 1477 CB GLU C 55 0.327 12.473 6.944 1.00 0.00 C ATOM 1478 CG GLU C 55 -0.273 13.538 6.084 1.00 0.00 C ATOM 1479 CD GLU C 55 -0.353 14.878 6.774 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -1.252 15.065 7.622 1.00 0.00 O ATOM 1481 OE2 GLU C 55 0.485 15.750 6.472 1.00 0.00 O ATOM 0 H GLU C 55 1.134 12.165 4.597 1.00 0.00 H new ATOM 0 HA GLU C 55 0.921 10.413 6.883 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -0.250 12.387 7.865 1.00 0.00 H new ATOM 0 HB3 GLU C 55 1.337 12.767 7.228 1.00 0.00 H new ATOM 0 HG2 GLU C 55 0.319 13.639 5.174 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -1.274 13.231 5.781 1.00 0.00 H new ATOM 1488 N LYS C 56 -1.565 10.682 4.851 1.00 0.00 N ATOM 1489 CA LYS C 56 -2.895 10.170 4.532 1.00 0.00 C ATOM 1490 C LYS C 56 -2.790 9.006 3.556 1.00 0.00 C ATOM 1491 O LYS C 56 -3.740 8.242 3.371 1.00 0.00 O ATOM 1492 CB LYS C 56 -3.762 11.265 3.907 1.00 0.00 C ATOM 1493 CG LYS C 56 -3.911 12.514 4.760 1.00 0.00 C ATOM 1494 CD LYS C 56 -4.716 13.581 4.037 1.00 0.00 C ATOM 1495 CE LYS C 56 -6.178 13.187 3.896 1.00 0.00 C ATOM 1496 NZ LYS C 56 -6.905 14.082 2.958 1.00 0.00 N ATOM 0 H LYS C 56 -1.088 11.128 4.067 1.00 0.00 H new ATOM 0 HA LYS C 56 -3.356 9.833 5.460 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -3.333 11.546 2.945 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -4.753 10.857 3.707 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -4.401 12.259 5.700 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -2.925 12.906 5.011 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -4.644 14.522 4.582 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -4.289 13.752 3.049 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -6.244 12.158 3.541 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -6.658 13.219 4.874 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -7.929 13.989 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -6.618 15.067 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -6.677 13.817 1.978 1.00 0.00 H new ATOM 1510 N GLN C 57 -1.621 8.887 2.950 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.369 7.917 1.895 1.00 0.00 C ATOM 1512 C GLN C 57 -1.207 6.512 2.466 1.00 0.00 C ATOM 1513 O GLN C 57 -0.352 6.278 3.320 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.094 8.315 1.141 1.00 0.00 C ATOM 1515 CG GLN C 57 0.252 7.396 -0.010 1.00 0.00 C ATOM 1516 CD GLN C 57 1.586 7.718 -0.653 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.301 6.807 -1.060 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.923 8.998 -0.803 1.00 0.00 N ATOM 0 H GLN C 57 -0.812 9.465 3.178 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.222 7.912 1.217 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.211 9.330 0.760 1.00 0.00 H new ATOM 0 HB3 GLN C 57 0.740 8.332 1.842 1.00 0.00 H new ATOM 0 HG2 GLN C 57 0.268 6.367 0.348 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -0.532 7.459 -0.765 1.00 0.00 H new ATOM 0 HE21 GLN C 57 1.307 9.732 -0.454 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.797 9.244 -1.267 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.033 5.584 2.002 1.00 0.00 N ATOM 1528 CA ARG C 58 -1.909 4.186 2.400 1.00 0.00 C ATOM 1529 C ARG C 58 -1.702 3.296 1.184 1.00 0.00 C ATOM 1530 O ARG C 58 -2.500 3.324 0.243 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.144 3.710 3.176 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.119 4.041 4.661 1.00 0.00 C ATOM 1533 CD ARG C 58 -3.328 5.522 4.925 1.00 0.00 C ATOM 1534 NE ARG C 58 -3.289 5.822 6.352 1.00 0.00 N ATOM 1535 CZ ARG C 58 -3.796 6.921 6.905 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -4.374 7.848 6.150 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -3.711 7.099 8.216 1.00 0.00 N ATOM 0 H ARG C 58 -2.795 5.772 1.351 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.040 4.113 3.053 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.033 4.158 2.731 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.238 2.630 3.058 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -3.895 3.470 5.171 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -2.164 3.730 5.084 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -2.558 6.096 4.410 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -4.288 5.834 4.513 1.00 0.00 H new ATOM 0 HE ARG C 58 -2.842 5.143 6.968 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -4.431 7.720 5.140 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -4.761 8.688 6.580 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -3.258 6.395 8.798 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -4.099 7.940 8.643 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.622 2.525 1.195 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.373 1.545 0.167 1.00 0.00 C ATOM 1553 C LEU C 59 -1.029 0.227 0.546 1.00 0.00 C ATOM 1554 O LEU C 59 -0.697 -0.352 1.563 1.00 0.00 O ATOM 1555 CB LEU C 59 1.121 1.310 0.051 1.00 0.00 C ATOM 1556 CG LEU C 59 1.976 2.461 -0.471 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.439 2.040 -0.471 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.539 2.868 -1.871 1.00 0.00 C ATOM 0 H LEU C 59 0.098 2.567 1.917 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.779 1.910 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.496 1.033 1.036 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.277 0.452 -0.603 1.00 0.00 H new ATOM 0 HG LEU C 59 1.848 3.324 0.182 1.00 0.00 H new ATOM 0 HD11 LEU C 59 4.053 2.860 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.745 1.789 0.545 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.567 1.169 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.163 3.690 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU C 59 1.644 2.019 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.497 3.187 -1.849 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.961 -0.246 -0.241 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.530 -1.557 0.012 1.00 0.00 C ATOM 1572 C ILE C 60 -2.188 -2.520 -1.099 1.00 0.00 C ATOM 1573 O ILE C 60 -2.632 -2.360 -2.238 1.00 0.00 O ATOM 1574 CB ILE C 60 -4.048 -1.511 0.146 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.463 -0.288 0.934 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.542 -2.772 0.834 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.908 0.060 0.732 1.00 0.00 C ATOM 0 H ILE C 60 -2.341 0.243 -1.051 1.00 0.00 H new ATOM 0 HA ILE C 60 -2.098 -1.895 0.954 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.492 -1.453 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.279 -0.463 1.994 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.844 0.559 0.638 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.627 -2.734 0.927 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.259 -3.643 0.244 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -4.095 -2.845 1.825 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.155 0.945 1.319 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.089 0.263 -0.323 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.532 -0.774 1.053 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.390 -3.511 -0.774 1.00 0.00 N ATOM 1590 CA TYR C 61 -1.136 -4.588 -1.696 1.00 0.00 C ATOM 1591 C TYR C 61 -1.440 -5.910 -1.013 1.00 0.00 C ATOM 1592 O TYR C 61 -0.876 -6.217 0.038 1.00 0.00 O ATOM 1593 CB TYR C 61 0.302 -4.565 -2.214 1.00 0.00 C ATOM 1594 CG TYR C 61 0.521 -5.556 -3.327 1.00 0.00 C ATOM 1595 CD1 TYR C 61 -0.234 -5.483 -4.486 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.445 -6.580 -3.207 1.00 0.00 C ATOM 1597 CE1 TYR C 61 -0.073 -6.403 -5.502 1.00 0.00 C ATOM 1598 CE2 TYR C 61 1.610 -7.512 -4.214 1.00 0.00 C ATOM 1599 CZ TYR C 61 0.850 -7.418 -5.360 1.00 0.00 C ATOM 1600 OH TYR C 61 1.005 -8.352 -6.360 1.00 0.00 O ATOM 0 H TYR C 61 -0.907 -3.592 0.121 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.786 -4.464 -2.562 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.543 -3.563 -2.569 1.00 0.00 H new ATOM 0 HB3 TYR C 61 0.986 -4.785 -1.394 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -0.961 -4.692 -4.597 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.046 -6.652 -2.313 1.00 0.00 H new ATOM 0 HE1 TYR C 61 -0.666 -6.329 -6.402 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.330 -8.309 -4.104 1.00 0.00 H new ATOM 0 HH TYR C 61 1.696 -8.997 -6.101 1.00 0.00 H new ATOM 1610 N GLN C 62 -2.356 -6.666 -1.605 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.807 -7.938 -1.045 1.00 0.00 C ATOM 1612 C GLN C 62 -3.420 -7.734 0.341 1.00 0.00 C ATOM 1613 O GLN C 62 -3.221 -8.543 1.246 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.657 -8.948 -0.976 1.00 0.00 C ATOM 1615 CG GLN C 62 -1.001 -9.216 -2.321 1.00 0.00 C ATOM 1616 CD GLN C 62 -0.076 -10.409 -2.297 1.00 0.00 C ATOM 1617 OE1 GLN C 62 -0.357 -11.360 -1.431 1.00 0.00 O flip ATOM 1618 NE2 GLN C 62 0.894 -10.471 -3.052 1.00 0.00 N flip ATOM 0 H GLN C 62 -2.808 -6.417 -2.485 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.574 -8.340 -1.707 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.903 -8.580 -0.280 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -2.033 -9.887 -0.571 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -1.775 -9.378 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN C 62 -0.440 -8.334 -2.628 1.00 0.00 H new ATOM 0 HE21 GLN C 62 1.078 -9.713 -3.709 1.00 0.00 H new ATOM 0 HE22 GLN C 62 1.514 -11.280 -3.020 1.00 0.00 H new ATOM 1627 N GLY C 63 -4.153 -6.638 0.498 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.833 -6.358 1.754 1.00 0.00 C ATOM 1629 C GLY C 63 -3.899 -5.883 2.858 1.00 0.00 C ATOM 1630 O GLY C 63 -4.352 -5.521 3.944 1.00 0.00 O ATOM 0 H GLY C 63 -4.291 -5.933 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.596 -5.599 1.583 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.348 -7.259 2.088 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.602 -5.879 2.581 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.609 -5.440 3.544 1.00 0.00 C ATOM 1636 C ARG C 64 -1.414 -3.940 3.410 1.00 0.00 C ATOM 1637 O ARG C 64 -1.239 -3.433 2.301 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.287 -6.173 3.293 1.00 0.00 C ATOM 1639 CG ARG C 64 0.800 -5.911 4.329 1.00 0.00 C ATOM 1640 CD ARG C 64 0.530 -6.639 5.636 1.00 0.00 C ATOM 1641 NE ARG C 64 -0.555 -6.045 6.414 1.00 0.00 N ATOM 1642 CZ ARG C 64 -0.377 -5.151 7.386 1.00 0.00 C ATOM 1643 NH1 ARG C 64 0.839 -4.690 7.662 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -1.414 -4.714 8.081 1.00 0.00 N ATOM 0 H ARG C 64 -2.213 -6.179 1.687 1.00 0.00 H new ATOM 0 HA ARG C 64 -1.948 -5.668 4.555 1.00 0.00 H new ATOM 0 HB2 ARG C 64 -0.484 -7.245 3.258 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.090 -5.885 2.312 1.00 0.00 H new ATOM 0 HG2 ARG C 64 1.764 -6.227 3.931 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.869 -4.840 4.519 1.00 0.00 H new ATOM 0 HD2 ARG C 64 0.286 -7.679 5.421 1.00 0.00 H new ATOM 0 HD3 ARG C 64 1.439 -6.642 6.237 1.00 0.00 H new ATOM 0 HE ARG C 64 -1.510 -6.333 6.199 1.00 0.00 H new ATOM 0 HH11 ARG C 64 1.643 -5.021 7.128 1.00 0.00 H new ATOM 0 HH12 ARG C 64 0.968 -4.006 8.407 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -2.350 -5.061 7.873 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -1.277 -4.030 8.825 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.462 -3.229 4.524 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.337 -1.783 4.497 1.00 0.00 C ATOM 1660 C VAL C 65 0.150 -1.385 4.567 1.00 0.00 C ATOM 1661 O VAL C 65 0.707 -1.192 5.651 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.134 -1.143 5.668 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.736 0.199 5.267 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.233 -2.084 6.145 1.00 0.00 C ATOM 0 H VAL C 65 -1.586 -3.628 5.454 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.756 -1.410 3.562 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.433 -0.970 6.485 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.286 0.617 6.110 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -1.939 0.884 4.978 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.414 0.057 4.426 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -3.780 -1.619 6.965 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -3.918 -2.290 5.323 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -2.788 -3.018 6.489 1.00 0.00 H new ATOM 1674 N LEU C 66 0.780 -1.285 3.392 1.00 0.00 N ATOM 1675 CA LEU C 66 2.193 -0.907 3.261 1.00 0.00 C ATOM 1676 C LEU C 66 2.326 0.590 3.531 1.00 0.00 C ATOM 1677 O LEU C 66 1.462 1.371 3.126 1.00 0.00 O ATOM 1678 CB LEU C 66 2.721 -1.211 1.846 1.00 0.00 C ATOM 1679 CG LEU C 66 1.929 -2.245 1.032 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.463 -2.325 -0.387 1.00 0.00 C ATOM 1681 CD2 LEU C 66 1.981 -3.612 1.690 1.00 0.00 C ATOM 0 H LEU C 66 0.322 -1.465 2.499 1.00 0.00 H new ATOM 0 HA LEU C 66 2.778 -1.484 3.977 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.746 -0.278 1.282 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.750 -1.559 1.932 1.00 0.00 H new ATOM 0 HG LEU C 66 0.889 -1.922 0.999 1.00 0.00 H new ATOM 0 HD11 LEU C 66 1.891 -3.062 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.370 -1.350 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.512 -2.620 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.412 -4.325 1.093 1.00 0.00 H new ATOM 0 HD22 LEU C 66 3.017 -3.943 1.760 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.551 -3.551 2.690 1.00 0.00 H new ATOM 1693 N GLN C 67 3.397 1.007 4.184 1.00 0.00 N ATOM 1694 CA GLN C 67 3.492 2.389 4.624 1.00 0.00 C ATOM 1695 C GLN C 67 4.944 2.840 4.790 1.00 0.00 C ATOM 1696 O GLN C 67 5.864 2.150 4.363 1.00 0.00 O ATOM 1697 CB GLN C 67 2.721 2.552 5.935 1.00 0.00 C ATOM 1698 CG GLN C 67 3.164 1.591 7.021 1.00 0.00 C ATOM 1699 CD GLN C 67 2.149 1.472 8.136 1.00 0.00 C ATOM 1700 OE1 GLN C 67 2.180 2.229 9.105 1.00 0.00 O ATOM 1701 NE2 GLN C 67 1.250 0.509 8.012 1.00 0.00 N ATOM 0 H GLN C 67 4.199 0.422 4.418 1.00 0.00 H new ATOM 0 HA GLN C 67 3.052 3.025 3.856 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.842 3.574 6.294 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.658 2.406 5.743 1.00 0.00 H new ATOM 0 HG2 GLN C 67 3.336 0.607 6.584 1.00 0.00 H new ATOM 0 HG3 GLN C 67 4.115 1.927 7.434 1.00 0.00 H new ATOM 0 HE21 GLN C 67 1.261 -0.096 7.191 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.546 0.372 8.737 1.00 0.00 H new ATOM 1710 N ASP C 68 5.123 4.005 5.410 1.00 0.00 N ATOM 1711 CA ASP C 68 6.439 4.604 5.674 1.00 0.00 C ATOM 1712 C ASP C 68 7.343 3.729 6.566 1.00 0.00 C ATOM 1713 O ASP C 68 8.487 4.087 6.839 1.00 0.00 O ATOM 1714 CB ASP C 68 6.259 5.976 6.325 1.00 0.00 C ATOM 1715 CG ASP C 68 5.432 5.903 7.591 1.00 0.00 C ATOM 1716 OD1 ASP C 68 4.187 5.969 7.492 1.00 0.00 O ATOM 1717 OD2 ASP C 68 6.017 5.774 8.686 1.00 0.00 O ATOM 0 H ASP C 68 4.347 4.572 5.751 1.00 0.00 H new ATOM 0 HA ASP C 68 6.938 4.695 4.709 1.00 0.00 H new ATOM 0 HB2 ASP C 68 7.237 6.398 6.556 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.779 6.652 5.618 1.00 0.00 H new ATOM 1722 N ASP C 69 6.827 2.588 7.010 1.00 0.00 N ATOM 1723 CA ASP C 69 7.521 1.707 7.966 1.00 0.00 C ATOM 1724 C ASP C 69 8.757 1.046 7.350 1.00 0.00 C ATOM 1725 O ASP C 69 9.493 0.327 8.029 1.00 0.00 O ATOM 1726 CB ASP C 69 6.556 0.624 8.448 1.00 0.00 C ATOM 1727 CG ASP C 69 7.021 -0.082 9.713 1.00 0.00 C ATOM 1728 OD1 ASP C 69 7.752 -1.091 9.610 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.643 0.363 10.818 1.00 0.00 O ATOM 0 H ASP C 69 5.913 2.239 6.721 1.00 0.00 H new ATOM 0 HA ASP C 69 7.856 2.323 8.801 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.580 1.073 8.630 1.00 0.00 H new ATOM 0 HB3 ASP C 69 6.425 -0.114 7.656 1.00 0.00 H new ATOM 1734 N LYS C 70 8.966 1.308 6.063 1.00 0.00 N ATOM 1735 CA LYS C 70 10.095 0.771 5.291 1.00 0.00 C ATOM 1736 C LYS C 70 9.851 -0.689 4.928 1.00 0.00 C ATOM 1737 O LYS C 70 8.726 -1.174 5.020 1.00 0.00 O ATOM 1738 CB LYS C 70 11.424 0.904 6.051 1.00 0.00 C ATOM 1739 CG LYS C 70 11.742 2.314 6.513 1.00 0.00 C ATOM 1740 CD LYS C 70 13.135 2.383 7.124 1.00 0.00 C ATOM 1741 CE LYS C 70 13.432 3.746 7.728 1.00 0.00 C ATOM 1742 NZ LYS C 70 12.588 4.028 8.918 1.00 0.00 N ATOM 0 H LYS C 70 8.350 1.908 5.514 1.00 0.00 H new ATOM 0 HA LYS C 70 10.169 1.362 4.378 1.00 0.00 H new ATOM 0 HB2 LYS C 70 11.399 0.247 6.920 1.00 0.00 H new ATOM 0 HB3 LYS C 70 12.232 0.554 5.409 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.676 3.001 5.670 1.00 0.00 H new ATOM 0 HG3 LYS C 70 11.002 2.637 7.246 1.00 0.00 H new ATOM 0 HD2 LYS C 70 13.230 1.618 7.895 1.00 0.00 H new ATOM 0 HD3 LYS C 70 13.877 2.158 6.358 1.00 0.00 H new ATOM 0 HE2 LYS C 70 14.484 3.795 8.011 1.00 0.00 H new ATOM 0 HE3 LYS C 70 13.267 4.518 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 12.946 4.874 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 11.606 4.192 8.616 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 12.620 3.216 9.567 1.00 0.00 H new ATOM 1756 N LYS C 71 10.917 -1.371 4.496 1.00 0.00 N ATOM 1757 CA LYS C 71 10.871 -2.808 4.217 1.00 0.00 C ATOM 1758 C LYS C 71 10.008 -3.113 2.990 1.00 0.00 C ATOM 1759 O LYS C 71 9.076 -3.912 3.057 1.00 0.00 O ATOM 1760 CB LYS C 71 10.330 -3.560 5.436 1.00 0.00 C ATOM 1761 CG LYS C 71 11.017 -3.193 6.741 1.00 0.00 C ATOM 1762 CD LYS C 71 10.069 -3.372 7.910 1.00 0.00 C ATOM 1763 CE LYS C 71 10.660 -2.857 9.208 1.00 0.00 C ATOM 1764 NZ LYS C 71 9.656 -2.867 10.306 1.00 0.00 N ATOM 0 H LYS C 71 11.829 -0.945 4.331 1.00 0.00 H new ATOM 0 HA LYS C 71 11.887 -3.141 4.005 1.00 0.00 H new ATOM 0 HB2 LYS C 71 9.263 -3.360 5.530 1.00 0.00 H new ATOM 0 HB3 LYS C 71 10.440 -4.631 5.268 1.00 0.00 H new ATOM 0 HG2 LYS C 71 11.899 -3.817 6.882 1.00 0.00 H new ATOM 0 HG3 LYS C 71 11.361 -2.160 6.699 1.00 0.00 H new ATOM 0 HD2 LYS C 71 9.136 -2.847 7.703 1.00 0.00 H new ATOM 0 HD3 LYS C 71 9.823 -4.428 8.018 1.00 0.00 H new ATOM 0 HE2 LYS C 71 11.515 -3.472 9.489 1.00 0.00 H new ATOM 0 HE3 LYS C 71 11.032 -1.843 9.063 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 10.134 -2.706 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 8.957 -2.114 10.144 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 9.173 -3.788 10.327 1.00 0.00 H new ATOM 1778 N LEU C 72 10.340 -2.493 1.864 1.00 0.00 N ATOM 1779 CA LEU C 72 9.577 -2.683 0.632 1.00 0.00 C ATOM 1780 C LEU C 72 9.601 -4.135 0.154 1.00 0.00 C ATOM 1781 O LEU C 72 8.635 -4.614 -0.432 1.00 0.00 O ATOM 1782 CB LEU C 72 10.102 -1.773 -0.476 1.00 0.00 C ATOM 1783 CG LEU C 72 9.653 -0.318 -0.416 1.00 0.00 C ATOM 1784 CD1 LEU C 72 10.323 0.486 -1.511 1.00 0.00 C ATOM 1785 CD2 LEU C 72 8.142 -0.234 -0.545 1.00 0.00 C ATOM 0 H LEU C 72 11.131 -1.855 1.776 1.00 0.00 H new ATOM 0 HA LEU C 72 8.544 -2.421 0.861 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.191 -1.797 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU C 72 9.794 -2.188 -1.436 1.00 0.00 H new ATOM 0 HG LEU C 72 9.946 0.101 0.547 1.00 0.00 H new ATOM 0 HD11 LEU C 72 9.992 1.523 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU C 72 11.405 0.443 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU C 72 10.055 0.071 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU C 72 7.831 0.810 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU C 72 7.834 -0.665 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU C 72 7.676 -0.786 0.271 1.00 0.00 H new ATOM 1797 N GLN C 73 10.704 -4.831 0.394 1.00 0.00 N ATOM 1798 CA GLN C 73 10.847 -6.206 0.002 1.00 0.00 C ATOM 1799 C GLN C 73 9.989 -7.126 0.862 1.00 0.00 C ATOM 1800 O GLN C 73 9.709 -8.261 0.482 1.00 0.00 O ATOM 1801 CB GLN C 73 12.312 -6.580 0.098 1.00 0.00 C ATOM 1802 CG GLN C 73 12.935 -6.304 1.459 1.00 0.00 C ATOM 1803 CD GLN C 73 14.338 -6.873 1.603 1.00 0.00 C ATOM 1804 OE1 GLN C 73 14.758 -7.229 2.702 1.00 0.00 O ATOM 1805 NE2 GLN C 73 15.080 -6.955 0.508 1.00 0.00 N ATOM 0 H GLN C 73 11.521 -4.447 0.868 1.00 0.00 H new ATOM 0 HA GLN C 73 10.500 -6.327 -1.024 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.421 -7.640 -0.132 1.00 0.00 H new ATOM 0 HB3 GLN C 73 12.867 -6.030 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN C 73 12.968 -5.227 1.624 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.297 -6.726 2.236 1.00 0.00 H new ATOM 0 HE21 GLN C 73 14.701 -6.651 -0.389 1.00 0.00 H new ATOM 0 HE22 GLN C 73 16.030 -7.322 0.562 1.00 0.00 H new ATOM 1814 N GLU C 74 9.564 -6.631 2.018 1.00 0.00 N ATOM 1815 CA GLU C 74 8.608 -7.353 2.840 1.00 0.00 C ATOM 1816 C GLU C 74 7.226 -7.206 2.231 1.00 0.00 C ATOM 1817 O GLU C 74 6.355 -8.058 2.413 1.00 0.00 O ATOM 1818 CB GLU C 74 8.617 -6.869 4.290 1.00 0.00 C ATOM 1819 CG GLU C 74 9.925 -7.158 5.010 1.00 0.00 C ATOM 1820 CD GLU C 74 9.813 -7.031 6.517 1.00 0.00 C ATOM 1821 OE1 GLU C 74 8.887 -6.349 7.004 1.00 0.00 O ATOM 1822 OE2 GLU C 74 10.650 -7.625 7.226 1.00 0.00 O ATOM 0 H GLU C 74 9.866 -5.736 2.404 1.00 0.00 H new ATOM 0 HA GLU C 74 8.893 -8.405 2.861 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.429 -5.796 4.309 1.00 0.00 H new ATOM 0 HB3 GLU C 74 7.799 -7.346 4.830 1.00 0.00 H new ATOM 0 HG2 GLU C 74 10.256 -8.166 4.760 1.00 0.00 H new ATOM 0 HG3 GLU C 74 10.691 -6.472 4.649 1.00 0.00 H new ATOM 1829 N TYR C 75 7.032 -6.106 1.508 1.00 0.00 N ATOM 1830 CA TYR C 75 5.798 -5.885 0.785 1.00 0.00 C ATOM 1831 C TYR C 75 5.889 -6.633 -0.536 1.00 0.00 C ATOM 1832 O TYR C 75 4.881 -6.994 -1.144 1.00 0.00 O ATOM 1833 CB TYR C 75 5.570 -4.386 0.546 1.00 0.00 C ATOM 1834 CG TYR C 75 5.641 -3.519 1.797 1.00 0.00 C ATOM 1835 CD1 TYR C 75 5.049 -3.910 2.993 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.288 -2.291 1.766 1.00 0.00 C ATOM 1837 CE1 TYR C 75 5.099 -3.106 4.115 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.348 -1.476 2.889 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.747 -1.893 4.061 1.00 0.00 C ATOM 1840 OH TYR C 75 5.778 -1.089 5.178 1.00 0.00 O ATOM 0 H TYR C 75 7.718 -5.358 1.412 1.00 0.00 H new ATOM 0 HA TYR C 75 4.952 -6.253 1.366 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.313 -4.030 -0.168 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.592 -4.251 0.083 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.540 -4.861 3.046 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.755 -1.962 0.849 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.630 -3.429 5.033 1.00 0.00 H new ATOM 0 HE2 TYR C 75 6.859 -0.526 2.846 1.00 0.00 H new ATOM 0 HH TYR C 75 6.709 -0.892 5.413 1.00 0.00 H new ATOM 1850 N ASN C 76 7.150 -6.852 -0.947 1.00 0.00 N ATOM 1851 CA ASN C 76 7.502 -7.712 -2.078 1.00 0.00 C ATOM 1852 C ASN C 76 6.897 -7.109 -3.312 1.00 0.00 C ATOM 1853 O ASN C 76 6.375 -7.779 -4.195 1.00 0.00 O ATOM 1854 CB ASN C 76 7.012 -9.146 -1.851 1.00 0.00 C ATOM 1855 CG ASN C 76 7.469 -10.113 -2.935 1.00 0.00 C ATOM 1856 OD1 ASN C 76 8.545 -9.952 -3.516 1.00 0.00 O ATOM 1857 ND2 ASN C 76 6.657 -11.124 -3.213 1.00 0.00 N ATOM 0 H ASN C 76 7.960 -6.429 -0.494 1.00 0.00 H new ATOM 0 HA ASN C 76 8.585 -7.772 -2.189 1.00 0.00 H new ATOM 0 HB2 ASN C 76 7.372 -9.498 -0.884 1.00 0.00 H new ATOM 0 HB3 ASN C 76 5.923 -9.148 -1.806 1.00 0.00 H new ATOM 0 HD21 ASN C 76 6.914 -11.803 -3.930 1.00 0.00 H new ATOM 0 HD22 ASN C 76 5.775 -11.223 -2.710 1.00 0.00 H new ATOM 1864 N VAL C 77 7.013 -5.808 -3.353 1.00 0.00 N ATOM 1865 CA VAL C 77 6.161 -5.007 -4.164 1.00 0.00 C ATOM 1866 C VAL C 77 6.776 -4.682 -5.528 1.00 0.00 C ATOM 1867 O VAL C 77 6.124 -4.084 -6.389 1.00 0.00 O ATOM 1868 CB VAL C 77 5.836 -3.769 -3.332 1.00 0.00 C ATOM 1869 CG1 VAL C 77 6.557 -2.531 -3.812 1.00 0.00 C ATOM 1870 CG2 VAL C 77 4.347 -3.606 -3.232 1.00 0.00 C ATOM 0 H VAL C 77 7.705 -5.281 -2.821 1.00 0.00 H new ATOM 0 HA VAL C 77 5.247 -5.541 -4.424 1.00 0.00 H new ATOM 0 HB VAL C 77 6.219 -3.917 -2.322 1.00 0.00 H new ATOM 0 HG11 VAL C 77 6.286 -1.684 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL C 77 7.634 -2.693 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL C 77 6.273 -2.321 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL C 77 4.117 -2.722 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL C 77 3.926 -3.492 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL C 77 3.916 -4.486 -2.755 1.00 0.00 H new ATOM 1880 N GLY C 78 8.028 -5.088 -5.715 1.00 0.00 N ATOM 1881 CA GLY C 78 8.682 -4.974 -6.987 1.00 0.00 C ATOM 1882 C GLY C 78 7.913 -5.570 -8.112 1.00 0.00 C ATOM 1883 O GLY C 78 7.778 -6.787 -8.272 1.00 0.00 O ATOM 0 H GLY C 78 8.605 -5.502 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY C 78 8.862 -3.920 -7.200 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.657 -5.458 -6.929 1.00 0.00 H new ATOM 1887 N GLY C 79 7.369 -4.661 -8.842 1.00 0.00 N ATOM 1888 CA GLY C 79 6.784 -4.952 -10.132 1.00 0.00 C ATOM 1889 C GLY C 79 5.317 -5.318 -10.073 1.00 0.00 C ATOM 1890 O GLY C 79 4.762 -5.849 -11.035 1.00 0.00 O ATOM 0 H GLY C 79 7.310 -3.680 -8.570 1.00 0.00 H new ATOM 0 HA2 GLY C 79 6.906 -4.083 -10.779 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.335 -5.772 -10.593 1.00 0.00 H new ATOM 1894 N LYS C 80 4.685 -5.055 -8.949 1.00 0.00 N ATOM 1895 CA LYS C 80 3.263 -5.342 -8.788 1.00 0.00 C ATOM 1896 C LYS C 80 2.518 -4.056 -8.446 1.00 0.00 C ATOM 1897 O LYS C 80 3.025 -3.251 -7.668 1.00 0.00 O ATOM 1898 CB LYS C 80 3.066 -6.373 -7.677 1.00 0.00 C ATOM 1899 CG LYS C 80 3.980 -7.588 -7.788 1.00 0.00 C ATOM 1900 CD LYS C 80 3.721 -8.376 -9.063 1.00 0.00 C ATOM 1901 CE LYS C 80 4.689 -9.543 -9.206 1.00 0.00 C ATOM 1902 NZ LYS C 80 6.103 -9.090 -9.317 1.00 0.00 N ATOM 0 H LYS C 80 5.128 -4.642 -8.128 1.00 0.00 H new ATOM 0 HA LYS C 80 2.868 -5.747 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.235 -5.891 -6.714 1.00 0.00 H new ATOM 0 HB3 LYS C 80 2.029 -6.709 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS C 80 5.020 -7.263 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS C 80 3.830 -8.235 -6.924 1.00 0.00 H new ATOM 0 HD2 LYS C 80 2.697 -8.750 -9.059 1.00 0.00 H new ATOM 0 HD3 LYS C 80 3.816 -7.716 -9.925 1.00 0.00 H new ATOM 0 HE2 LYS C 80 4.588 -10.205 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS C 80 4.425 -10.125 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 6.552 -9.550 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 6.128 -8.058 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 6.618 -9.345 -8.450 1.00 0.00 H new ATOM 1916 N VAL C 81 1.328 -3.841 -9.028 1.00 0.00 N ATOM 1917 CA VAL C 81 0.605 -2.605 -8.751 1.00 0.00 C ATOM 1918 C VAL C 81 -0.018 -2.625 -7.371 1.00 0.00 C ATOM 1919 O VAL C 81 -0.711 -3.565 -6.977 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.479 -2.204 -9.777 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.020 -2.153 -11.202 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.674 -3.086 -9.686 1.00 0.00 C ATOM 0 H VAL C 81 0.865 -4.485 -9.669 1.00 0.00 H new ATOM 0 HA VAL C 81 1.384 -1.846 -8.824 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.763 -1.187 -9.506 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.797 -1.865 -11.863 1.00 0.00 H new ATOM 0 HG12 VAL C 81 0.825 -1.422 -11.280 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.393 -3.135 -11.492 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -2.414 -2.773 -10.423 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -1.381 -4.117 -9.882 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -2.104 -3.014 -8.687 1.00 0.00 H new ATOM 1932 N ILE C 82 0.275 -1.581 -6.632 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.315 -1.374 -5.345 1.00 0.00 C ATOM 1934 C ILE C 82 -1.632 -0.654 -5.522 1.00 0.00 C ATOM 1935 O ILE C 82 -1.947 -0.213 -6.613 1.00 0.00 O ATOM 1936 CB ILE C 82 0.627 -0.572 -4.427 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.010 -1.149 -4.502 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.134 -0.554 -2.989 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.000 -0.516 -3.559 1.00 0.00 C ATOM 0 H ILE C 82 0.932 -0.853 -6.914 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.488 -2.339 -4.869 1.00 0.00 H new ATOM 0 HB ILE C 82 0.643 0.461 -4.774 1.00 0.00 H new ATOM 0 HG12 ILE C 82 1.957 -2.217 -4.291 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.380 -1.044 -5.522 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.826 0.022 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.854 -0.096 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE C 82 0.076 -1.575 -2.611 1.00 0.00 H new ATOM 0 HD11 ILE C 82 3.973 -0.993 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.087 0.547 -3.783 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.658 -0.644 -2.532 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.432 -0.590 -4.490 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.657 0.168 -4.561 1.00 0.00 C ATOM 1953 C HIS C 83 -3.625 1.276 -3.526 1.00 0.00 C ATOM 1954 O HIS C 83 -3.563 1.008 -2.328 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.862 -0.754 -4.338 1.00 0.00 C ATOM 1956 CG HIS C 83 -5.059 -1.756 -5.438 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.690 -3.080 -5.330 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.587 -1.618 -6.676 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -4.981 -3.711 -6.452 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.526 -2.847 -7.285 1.00 0.00 N ATOM 0 H HIS C 83 -2.261 -1.049 -3.596 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.753 0.615 -5.551 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.735 -1.283 -3.393 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.762 -0.147 -4.245 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -5.983 -0.710 -7.105 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -4.803 -4.757 -6.653 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -5.850 -3.057 -8.229 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.624 2.512 -3.988 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.572 3.644 -3.116 1.00 0.00 C ATOM 1971 C LEU C 84 -4.969 4.155 -2.760 1.00 0.00 C ATOM 1972 O LEU C 84 -5.825 4.339 -3.630 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.781 4.716 -3.792 1.00 0.00 C ATOM 1974 CG LEU C 84 -2.964 6.063 -3.183 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -2.486 6.077 -1.747 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -2.233 7.078 -3.995 1.00 0.00 C ATOM 0 H LEU C 84 -3.659 2.747 -4.980 1.00 0.00 H new ATOM 0 HA LEU C 84 -3.098 3.351 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -1.724 4.452 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -3.067 4.759 -4.843 1.00 0.00 H new ATOM 0 HG LEU C 84 -4.026 6.308 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU C 84 -2.630 7.072 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -3.055 5.351 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -1.428 5.819 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU C 84 -2.366 8.064 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -1.172 6.830 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -2.626 7.082 -5.012 1.00 0.00 H new ATOM 1988 N VAL C 85 -5.174 4.393 -1.476 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.432 4.932 -0.967 1.00 0.00 C ATOM 1990 C VAL C 85 -6.164 6.060 0.018 1.00 0.00 C ATOM 1991 O VAL C 85 -5.023 6.267 0.444 1.00 0.00 O ATOM 1992 CB VAL C 85 -7.286 3.859 -0.256 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.583 2.696 -1.187 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -6.604 3.379 1.017 1.00 0.00 C ATOM 0 H VAL C 85 -4.475 4.219 -0.753 1.00 0.00 H new ATOM 0 HA VAL C 85 -6.984 5.299 -1.832 1.00 0.00 H new ATOM 0 HB VAL C 85 -8.236 4.315 0.023 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -8.185 1.955 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -8.130 3.058 -2.058 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -6.647 2.240 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -7.225 2.624 1.500 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -5.634 2.948 0.770 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -6.464 4.221 1.695 1.00 0.00 H new ATOM 2004 N GLU C 86 -7.215 6.771 0.398 1.00 0.00 N ATOM 2005 CA GLU C 86 -7.088 7.857 1.353 1.00 0.00 C ATOM 2006 C GLU C 86 -7.988 7.640 2.557 1.00 0.00 C ATOM 2007 O GLU C 86 -9.203 7.489 2.420 1.00 0.00 O ATOM 2008 CB GLU C 86 -7.422 9.179 0.717 1.00 0.00 C ATOM 2009 CG GLU C 86 -7.203 10.363 1.646 1.00 0.00 C ATOM 2010 CD GLU C 86 -7.601 11.681 1.024 1.00 0.00 C ATOM 2011 OE1 GLU C 86 -8.814 11.947 0.910 1.00 0.00 O ATOM 2012 OE2 GLU C 86 -6.703 12.475 0.676 1.00 0.00 O ATOM 0 H GLU C 86 -8.164 6.614 0.059 1.00 0.00 H new ATOM 0 HA GLU C 86 -6.050 7.871 1.684 1.00 0.00 H new ATOM 0 HB2 GLU C 86 -6.812 9.309 -0.177 1.00 0.00 H new ATOM 0 HB3 GLU C 86 -8.463 9.167 0.394 1.00 0.00 H new ATOM 0 HG2 GLU C 86 -7.776 10.211 2.561 1.00 0.00 H new ATOM 0 HG3 GLU C 86 -6.152 10.405 1.931 1.00 0.00 H new ATOM 2019 N ARG C 87 -7.388 7.612 3.734 1.00 0.00 N ATOM 2020 CA ARG C 87 -8.147 7.549 4.966 1.00 0.00 C ATOM 2021 C ARG C 87 -8.176 8.923 5.619 1.00 0.00 C ATOM 2022 O ARG C 87 -7.375 9.796 5.276 1.00 0.00 O ATOM 2023 CB ARG C 87 -7.555 6.518 5.919 1.00 0.00 C ATOM 2024 CG ARG C 87 -7.309 5.175 5.257 1.00 0.00 C ATOM 2025 CD ARG C 87 -7.452 4.032 6.248 1.00 0.00 C ATOM 2026 NE ARG C 87 -8.778 4.018 6.865 1.00 0.00 N ATOM 2027 CZ ARG C 87 -9.418 2.917 7.252 1.00 0.00 C ATOM 2028 NH1 ARG C 87 -8.883 1.721 7.045 1.00 0.00 N ATOM 2029 NH2 ARG C 87 -10.607 3.016 7.837 1.00 0.00 N ATOM 0 H ARG C 87 -6.376 7.632 3.860 1.00 0.00 H new ATOM 0 HA ARG C 87 -9.166 7.241 4.733 1.00 0.00 H new ATOM 0 HB2 ARG C 87 -6.615 6.898 6.319 1.00 0.00 H new ATOM 0 HB3 ARG C 87 -8.230 6.383 6.764 1.00 0.00 H new ATOM 0 HG2 ARG C 87 -8.014 5.038 4.437 1.00 0.00 H new ATOM 0 HG3 ARG C 87 -6.309 5.159 4.824 1.00 0.00 H new ATOM 0 HD2 ARG C 87 -7.277 3.084 5.739 1.00 0.00 H new ATOM 0 HD3 ARG C 87 -6.690 4.124 7.022 1.00 0.00 H new ATOM 0 HE ARG C 87 -9.244 4.914 7.009 1.00 0.00 H new ATOM 0 HH11 ARG C 87 -7.975 1.641 6.587 1.00 0.00 H new ATOM 0 HH12 ARG C 87 -9.379 0.882 7.344 1.00 0.00 H new ATOM 0 HH21 ARG C 87 -11.026 3.934 7.988 1.00 0.00 H new ATOM 0 HH22 ARG C 87 -11.100 2.174 8.135 1.00 0.00 H new ATOM 2043 N ALA C 88 -9.080 9.103 6.564 1.00 0.00 N ATOM 2044 CA ALA C 88 -9.308 10.384 7.167 1.00 0.00 C ATOM 2045 C ALA C 88 -9.392 10.265 8.683 1.00 0.00 C ATOM 2046 O ALA C 88 -9.742 9.205 9.205 1.00 0.00 O ATOM 2047 CB ALA C 88 -10.577 11.011 6.605 1.00 0.00 C ATOM 0 H ALA C 88 -9.673 8.358 6.929 1.00 0.00 H new ATOM 0 HA ALA C 88 -8.464 11.031 6.929 1.00 0.00 H new ATOM 0 HB1 ALA C 88 -10.739 11.983 7.070 1.00 0.00 H new ATOM 0 HB2 ALA C 88 -10.474 11.137 5.527 1.00 0.00 H new ATOM 0 HB3 ALA C 88 -11.427 10.362 6.814 1.00 0.00 H new ATOM 2053 N PRO C 89 -9.037 11.336 9.413 1.00 0.00 N ATOM 2054 CA PRO C 89 -9.169 11.375 10.870 1.00 0.00 C ATOM 2055 C PRO C 89 -10.623 11.254 11.320 1.00 0.00 C ATOM 2056 O PRO C 89 -11.524 11.816 10.695 1.00 0.00 O ATOM 2057 CB PRO C 89 -8.614 12.745 11.257 1.00 0.00 C ATOM 2058 CG PRO C 89 -7.783 13.159 10.100 1.00 0.00 C ATOM 2059 CD PRO C 89 -8.452 12.582 8.890 1.00 0.00 C ATOM 0 HA PRO C 89 -8.644 10.544 11.341 1.00 0.00 H new ATOM 0 HB2 PRO C 89 -9.417 13.459 11.443 1.00 0.00 H new ATOM 0 HB3 PRO C 89 -8.021 12.688 12.170 1.00 0.00 H new ATOM 0 HG2 PRO C 89 -7.721 14.245 10.032 1.00 0.00 H new ATOM 0 HG3 PRO C 89 -6.763 12.787 10.198 1.00 0.00 H new ATOM 0 HD2 PRO C 89 -9.214 13.251 8.490 1.00 0.00 H new ATOM 0 HD3 PRO C 89 -7.741 12.390 8.086 1.00 0.00 H new ATOM 2067 N PRO C 90 -10.867 10.527 12.417 1.00 0.00 N ATOM 2068 CA PRO C 90 -12.214 10.331 12.955 1.00 0.00 C ATOM 2069 C PRO C 90 -12.715 11.557 13.723 1.00 0.00 C ATOM 2070 O PRO C 90 -12.912 11.513 14.940 1.00 0.00 O ATOM 2071 CB PRO C 90 -12.041 9.133 13.890 1.00 0.00 C ATOM 2072 CG PRO C 90 -10.623 9.208 14.345 1.00 0.00 C ATOM 2073 CD PRO C 90 -9.843 9.838 13.221 1.00 0.00 C ATOM 0 HA PRO C 90 -12.956 10.172 12.172 1.00 0.00 H new ATOM 0 HB2 PRO C 90 -12.730 9.186 14.733 1.00 0.00 H new ATOM 0 HB3 PRO C 90 -12.242 8.195 13.373 1.00 0.00 H new ATOM 0 HG2 PRO C 90 -10.539 9.802 15.255 1.00 0.00 H new ATOM 0 HG3 PRO C 90 -10.237 8.215 14.575 1.00 0.00 H new ATOM 0 HD2 PRO C 90 -9.095 10.536 13.597 1.00 0.00 H new ATOM 0 HD3 PRO C 90 -9.313 9.088 12.634 1.00 0.00 H new ATOM 2081 N GLN C 91 -12.895 12.659 13.005 1.00 0.00 N ATOM 2082 CA GLN C 91 -13.388 13.894 13.603 1.00 0.00 C ATOM 2083 C GLN C 91 -14.879 14.063 13.297 1.00 0.00 C ATOM 2084 O GLN C 91 -15.591 14.801 13.978 1.00 0.00 O ATOM 2085 CB GLN C 91 -12.568 15.098 13.095 1.00 0.00 C ATOM 2086 CG GLN C 91 -13.220 15.868 11.950 1.00 0.00 C ATOM 2087 CD GLN C 91 -12.283 16.699 11.175 1.00 0.00 C ATOM 2088 OE1 GLN C 91 -11.315 17.267 11.678 1.00 0.00 O ATOM 2089 NE2 GLN C 91 -12.537 16.685 9.893 1.00 0.00 N ATOM 0 H GLN C 91 -12.706 12.723 12.005 1.00 0.00 H new ATOM 0 HA GLN C 91 -13.268 13.844 14.685 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -12.398 15.782 13.926 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -11.590 14.744 12.768 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -13.702 15.159 11.277 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -14.005 16.506 12.356 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -13.359 16.194 9.541 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -11.913 17.165 9.244 1.00 0.00 H new ATOM 2098 N THR C 92 -15.338 13.363 12.268 1.00 0.00 N ATOM 2099 CA THR C 92 -16.731 13.384 11.877 1.00 0.00 C ATOM 2100 C THR C 92 -17.096 12.072 11.191 1.00 0.00 C ATOM 2101 O THR C 92 -16.237 11.419 10.587 1.00 0.00 O ATOM 2102 CB THR C 92 -17.011 14.567 10.932 1.00 0.00 C ATOM 2103 OG1 THR C 92 -18.419 14.701 10.714 1.00 0.00 O ATOM 2104 CG2 THR C 92 -16.301 14.391 9.594 1.00 0.00 C ATOM 0 H THR C 92 -14.751 12.767 11.685 1.00 0.00 H new ATOM 0 HA THR C 92 -17.342 13.504 12.772 1.00 0.00 H new ATOM 0 HB THR C 92 -16.627 15.470 11.407 1.00 0.00 H new ATOM 0 HG1 THR C 92 -18.587 15.457 10.113 1.00 0.00 H new ATOM 0 HG21 THR C 92 -16.520 15.243 8.951 1.00 0.00 H new ATOM 0 HG22 THR C 92 -15.225 14.327 9.758 1.00 0.00 H new ATOM 0 HG23 THR C 92 -16.649 13.476 9.115 1.00 0.00 H new ATOM 2112 N HIS C 93 -18.357 11.674 11.294 1.00 0.00 N ATOM 2113 CA HIS C 93 -18.826 10.457 10.643 1.00 0.00 C ATOM 2114 C HIS C 93 -19.270 10.756 9.220 1.00 0.00 C ATOM 2115 O HIS C 93 -20.466 10.882 8.957 1.00 0.00 O ATOM 2116 CB HIS C 93 -19.974 9.821 11.419 1.00 0.00 C ATOM 2117 CG HIS C 93 -19.575 9.224 12.733 1.00 0.00 C ATOM 2118 ND1 HIS C 93 -19.693 7.882 13.016 1.00 0.00 N ATOM 2119 CD2 HIS C 93 -19.073 9.797 13.850 1.00 0.00 C ATOM 2120 CE1 HIS C 93 -19.279 7.656 14.248 1.00 0.00 C ATOM 2121 NE2 HIS C 93 -18.898 8.802 14.777 1.00 0.00 N ATOM 0 H HIS C 93 -19.073 12.175 11.821 1.00 0.00 H new ATOM 0 HA HIS C 93 -17.995 9.751 10.620 1.00 0.00 H new ATOM 0 HB2 HIS C 93 -20.740 10.576 11.594 1.00 0.00 H new ATOM 0 HB3 HIS C 93 -20.427 9.044 10.803 1.00 0.00 H new ATOM 0 HD2 HIS C 93 -18.851 10.845 13.987 1.00 0.00 H new ATOM 0 HE1 HIS C 93 -19.256 6.695 14.740 1.00 0.00 H new ATOM 0 HE2 HIS C 93 -18.533 8.928 15.721 1.00 0.00 H new ATOM 2130 N LEU C 94 -18.290 10.878 8.320 1.00 0.00 N ATOM 2131 CA LEU C 94 -18.531 11.190 6.908 1.00 0.00 C ATOM 2132 C LEU C 94 -18.964 12.649 6.757 1.00 0.00 C ATOM 2133 O LEU C 94 -19.966 13.069 7.336 1.00 0.00 O ATOM 2134 CB LEU C 94 -19.574 10.236 6.310 1.00 0.00 C ATOM 2135 CG LEU C 94 -19.656 10.176 4.776 1.00 0.00 C ATOM 2136 CD1 LEU C 94 -20.439 8.949 4.345 1.00 0.00 C ATOM 2137 CD2 LEU C 94 -20.314 11.424 4.204 1.00 0.00 C ATOM 0 H LEU C 94 -17.303 10.763 8.551 1.00 0.00 H new ATOM 0 HA LEU C 94 -17.602 11.051 6.355 1.00 0.00 H new ATOM 0 HB2 LEU C 94 -19.367 9.231 6.679 1.00 0.00 H new ATOM 0 HB3 LEU C 94 -20.554 10.521 6.692 1.00 0.00 H new ATOM 0 HG LEU C 94 -18.638 10.119 4.391 1.00 0.00 H new ATOM 0 HD11 LEU C 94 -20.492 8.915 3.257 1.00 0.00 H new ATOM 0 HD12 LEU C 94 -19.941 8.052 4.712 1.00 0.00 H new ATOM 0 HD13 LEU C 94 -21.447 8.998 4.756 1.00 0.00 H new ATOM 0 HD21 LEU C 94 -20.355 11.348 3.117 1.00 0.00 H new ATOM 0 HD22 LEU C 94 -21.325 11.516 4.600 1.00 0.00 H new ATOM 0 HD23 LEU C 94 -19.733 12.303 4.484 1.00 0.00 H new ATOM 2149 N PRO C 95 -18.200 13.445 5.986 1.00 0.00 N ATOM 2150 CA PRO C 95 -18.518 14.856 5.748 1.00 0.00 C ATOM 2151 C PRO C 95 -19.882 15.032 5.093 1.00 0.00 C ATOM 2152 O PRO C 95 -20.048 14.800 3.895 1.00 0.00 O ATOM 2153 CB PRO C 95 -17.423 15.337 4.800 1.00 0.00 C ATOM 2154 CG PRO C 95 -16.321 14.343 4.934 1.00 0.00 C ATOM 2155 CD PRO C 95 -16.972 13.035 5.285 1.00 0.00 C ATOM 0 HA PRO C 95 -18.559 15.415 6.683 1.00 0.00 H new ATOM 0 HB2 PRO C 95 -17.786 15.386 3.773 1.00 0.00 H new ATOM 0 HB3 PRO C 95 -17.084 16.338 5.067 1.00 0.00 H new ATOM 0 HG2 PRO C 95 -15.758 14.260 4.005 1.00 0.00 H new ATOM 0 HG3 PRO C 95 -15.616 14.646 5.708 1.00 0.00 H new ATOM 0 HD2 PRO C 95 -17.194 12.445 4.396 1.00 0.00 H new ATOM 0 HD3 PRO C 95 -16.331 12.424 5.921 1.00 0.00 H new ATOM 2163 N SER C 96 -20.843 15.439 5.900 1.00 0.00 N ATOM 2164 CA SER C 96 -22.214 15.613 5.462 1.00 0.00 C ATOM 2165 C SER C 96 -22.307 16.693 4.387 1.00 0.00 C ATOM 2166 O SER C 96 -21.829 17.815 4.576 1.00 0.00 O ATOM 2167 CB SER C 96 -23.096 15.975 6.662 1.00 0.00 C ATOM 2168 OG SER C 96 -24.468 16.026 6.305 1.00 0.00 O ATOM 0 H SER C 96 -20.693 15.660 6.884 1.00 0.00 H new ATOM 0 HA SER C 96 -22.566 14.677 5.029 1.00 0.00 H new ATOM 0 HB2 SER C 96 -22.953 15.240 7.454 1.00 0.00 H new ATOM 0 HB3 SER C 96 -22.788 16.941 7.063 1.00 0.00 H new ATOM 0 HG SER C 96 -25.003 16.258 7.093 1.00 0.00 H new ATOM 2174 N GLY C 97 -22.908 16.346 3.260 1.00 0.00 N ATOM 2175 CA GLY C 97 -23.078 17.300 2.188 1.00 0.00 C ATOM 2176 C GLY C 97 -22.396 16.852 0.916 1.00 0.00 C ATOM 2177 O GLY C 97 -22.508 15.692 0.515 1.00 0.00 O ATOM 0 H GLY C 97 -23.282 15.416 3.069 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -24.141 17.445 1.997 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -22.675 18.265 2.495 1.00 0.00 H new ATOM 2181 N ALA C 98 -21.676 17.764 0.285 1.00 0.00 N ATOM 2182 CA ALA C 98 -21.001 17.465 -0.963 1.00 0.00 C ATOM 2183 C ALA C 98 -19.562 17.033 -0.715 1.00 0.00 C ATOM 2184 O ALA C 98 -18.636 17.839 -0.794 1.00 0.00 O ATOM 2185 CB ALA C 98 -21.046 18.670 -1.892 1.00 0.00 C ATOM 0 H ALA C 98 -21.545 18.719 0.619 1.00 0.00 H new ATOM 0 HA ALA C 98 -21.523 16.637 -1.442 1.00 0.00 H new ATOM 0 HB1 ALA C 98 -20.535 18.430 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA C 98 -22.084 18.928 -2.103 1.00 0.00 H new ATOM 0 HB3 ALA C 98 -20.551 19.516 -1.415 1.00 0.00 H new ATOM 2191 N SER C 99 -19.379 15.759 -0.398 1.00 0.00 N ATOM 2192 CA SER C 99 -18.049 15.213 -0.174 1.00 0.00 C ATOM 2193 C SER C 99 -17.354 14.969 -1.512 1.00 0.00 C ATOM 2194 O SER C 99 -16.131 14.826 -1.582 1.00 0.00 O ATOM 2195 CB SER C 99 -18.141 13.919 0.633 1.00 0.00 C ATOM 2196 OG SER C 99 -16.858 13.443 1.004 1.00 0.00 O ATOM 0 H SER C 99 -20.136 15.084 -0.290 1.00 0.00 H new ATOM 0 HA SER C 99 -17.459 15.931 0.396 1.00 0.00 H new ATOM 0 HB2 SER C 99 -18.739 14.089 1.528 1.00 0.00 H new ATOM 0 HB3 SER C 99 -18.656 13.159 0.045 1.00 0.00 H new ATOM 0 HG SER C 99 -16.953 12.615 1.520 1.00 0.00 H new ATOM 2202 N SER C 100 -18.149 14.932 -2.573 1.00 0.00 N ATOM 2203 CA SER C 100 -17.627 14.757 -3.914 1.00 0.00 C ATOM 2204 C SER C 100 -18.197 15.821 -4.847 1.00 0.00 C ATOM 2205 O SER C 100 -17.455 16.549 -5.508 1.00 0.00 O ATOM 2206 CB SER C 100 -17.966 13.358 -4.432 1.00 0.00 C ATOM 2207 OG SER C 100 -17.432 13.147 -5.728 1.00 0.00 O ATOM 0 H SER C 100 -19.164 15.022 -2.526 1.00 0.00 H new ATOM 0 HA SER C 100 -16.543 14.866 -3.886 1.00 0.00 H new ATOM 0 HB2 SER C 100 -17.571 12.608 -3.747 1.00 0.00 H new ATOM 0 HB3 SER C 100 -19.048 13.229 -4.456 1.00 0.00 H new ATOM 0 HG SER C 100 -17.662 12.245 -6.034 1.00 0.00 H new ATOM 2213 N GLY C 101 -19.517 15.916 -4.882 1.00 0.00 N ATOM 2214 CA GLY C 101 -20.174 16.863 -5.752 1.00 0.00 C ATOM 2215 C GLY C 101 -21.565 16.402 -6.121 1.00 0.00 C ATOM 2216 O GLY C 101 -22.519 16.752 -5.401 1.00 0.00 O ATOM 2217 OXT GLY C 101 -21.706 15.665 -7.120 1.00 0.00 O ATOM 0 H GLY C 101 -20.148 15.348 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY C 101 -20.230 17.834 -5.259 1.00 0.00 H new ATOM 0 HA3 GLY C 101 -19.582 16.999 -6.657 1.00 0.00 H new TER 2221 GLY C 101 HETATM 2222 ZN ZN A 101 -15.623 -2.630 -3.011 1.00 0.00 ZN