USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 714 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -142:sc= 0.00664 (180deg=0) USER MOD Set 2.1: A 16 SER OG : rot 21:sc= 0.392 USER MOD Set 2.2: A 105 ASN : amide:sc= -1.05 K(o=-0.66,f=0.077) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 23 HIS : no HE2:sc= -7.15! C(o=-7.1!,f=-7.6!) USER MOD Single : A 24 LYS NZ :NH3+ 144:sc= 0.101 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -48:sc= 0.105 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.92 USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.0397 (180deg=-0.281) USER MOD Single : A 53 ASN : amide:sc= -0.609 K(o=-0.61,f=-0.0069) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.52) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc=-0.00618 X(o=-0.0062,f=-0.056) USER MOD Single : A 79 THR OG1 : rot -14:sc= -1.41! USER MOD Single : A 84 CYS SG : rot 180:sc= -3.13! USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -70:sc= -2.37 USER MOD Single : A 96 ASN : amide:sc= -0.39 K(o=-0.39,f=-3.4!) USER MOD Single : A 103 SER OG : rot 180:sc=-0.00593 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -11.836 -16.645 -7.100 1.00 0.00 N ATOM 2 CA SER A 16 -10.491 -16.445 -7.701 1.00 0.00 C ATOM 3 C SER A 16 -10.250 -17.419 -8.853 1.00 0.00 C ATOM 4 O SER A 16 -9.545 -18.417 -8.699 1.00 0.00 O ATOM 5 CB SER A 16 -9.433 -16.644 -6.613 1.00 0.00 C ATOM 6 OG SER A 16 -9.835 -16.040 -5.396 1.00 0.00 O ATOM 0 HA SER A 16 -10.429 -15.435 -8.105 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.264 -17.709 -6.456 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.485 -16.216 -6.940 1.00 0.00 H new ATOM 0 HG SER A 16 -10.807 -15.913 -5.399 1.00 0.00 H new ATOM 14 N PRO A 17 -10.839 -17.143 -10.031 1.00 0.00 N ATOM 15 CA PRO A 17 -10.693 -17.995 -11.215 1.00 0.00 C ATOM 16 C PRO A 17 -9.306 -17.888 -11.850 1.00 0.00 C ATOM 17 O PRO A 17 -9.015 -18.570 -12.832 1.00 0.00 O ATOM 18 CB PRO A 17 -11.764 -17.468 -12.186 1.00 0.00 C ATOM 19 CG PRO A 17 -12.586 -16.498 -11.400 1.00 0.00 C ATOM 20 CD PRO A 17 -11.697 -15.986 -10.307 1.00 0.00 C ATOM 0 HA PRO A 17 -10.811 -19.049 -10.962 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -11.306 -16.983 -13.048 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -12.380 -18.282 -12.568 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -12.935 -15.682 -12.032 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.471 -16.982 -10.987 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.119 -15.119 -10.626 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.267 -15.684 -9.428 1.00 0.00 H new ATOM 28 N THR A 18 -8.455 -17.034 -11.287 1.00 0.00 N ATOM 29 CA THR A 18 -7.110 -16.849 -11.803 1.00 0.00 C ATOM 30 C THR A 18 -6.181 -16.296 -10.729 1.00 0.00 C ATOM 31 O THR A 18 -6.591 -15.474 -9.909 1.00 0.00 O ATOM 32 CB THR A 18 -7.117 -15.894 -12.994 1.00 0.00 C ATOM 33 OG1 THR A 18 -8.094 -16.277 -13.946 1.00 0.00 O ATOM 34 CG2 THR A 18 -5.785 -15.811 -13.704 1.00 0.00 C ATOM 0 H THR A 18 -8.677 -16.461 -10.473 1.00 0.00 H new ATOM 0 HA THR A 18 -6.746 -17.826 -12.121 1.00 0.00 H new ATOM 0 HB THR A 18 -7.345 -14.915 -12.573 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.081 -15.650 -14.699 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.861 -15.115 -14.540 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.023 -15.461 -13.008 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.509 -16.797 -14.077 1.00 0.00 H new ATOM 42 N PRO A 19 -4.910 -16.730 -10.727 1.00 0.00 N ATOM 43 CA PRO A 19 -3.912 -16.270 -9.765 1.00 0.00 C ATOM 44 C PRO A 19 -3.983 -14.765 -9.523 1.00 0.00 C ATOM 45 O PRO A 19 -4.665 -14.038 -10.245 1.00 0.00 O ATOM 46 CB PRO A 19 -2.572 -16.638 -10.426 1.00 0.00 C ATOM 47 CG PRO A 19 -2.909 -17.238 -11.756 1.00 0.00 C ATOM 48 CD PRO A 19 -4.331 -17.701 -11.661 1.00 0.00 C ATOM 0 HA PRO A 19 -4.060 -16.725 -8.786 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.943 -15.756 -10.546 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.016 -17.345 -9.810 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.791 -16.505 -12.554 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.244 -18.070 -11.987 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.831 -17.683 -12.629 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.403 -18.721 -11.284 1.00 0.00 H new ATOM 56 N VAL A 20 -3.270 -14.305 -8.501 1.00 0.00 N ATOM 57 CA VAL A 20 -3.244 -12.889 -8.152 1.00 0.00 C ATOM 58 C VAL A 20 -2.975 -12.014 -9.372 1.00 0.00 C ATOM 59 O VAL A 20 -2.211 -12.390 -10.262 1.00 0.00 O ATOM 60 CB VAL A 20 -2.173 -12.593 -7.085 1.00 0.00 C ATOM 61 CG1 VAL A 20 -2.481 -13.340 -5.798 1.00 0.00 C ATOM 62 CG2 VAL A 20 -0.788 -12.954 -7.602 1.00 0.00 C ATOM 0 H VAL A 20 -2.699 -14.896 -7.896 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.230 -12.652 -7.752 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.187 -11.525 -6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.714 -13.119 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.454 -13.026 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.497 -14.412 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.045 -12.738 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.757 -14.015 -7.848 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.569 -12.368 -8.494 1.00 0.00 H new ATOM 72 N GLU A 21 -3.601 -10.844 -9.402 1.00 0.00 N ATOM 73 CA GLU A 21 -3.425 -9.911 -10.504 1.00 0.00 C ATOM 74 C GLU A 21 -2.687 -8.662 -10.031 1.00 0.00 C ATOM 75 O GLU A 21 -3.132 -7.978 -9.109 1.00 0.00 O ATOM 76 CB GLU A 21 -4.786 -9.532 -11.094 1.00 0.00 C ATOM 77 CG GLU A 21 -4.713 -8.437 -12.144 1.00 0.00 C ATOM 78 CD GLU A 21 -5.662 -8.674 -13.302 1.00 0.00 C ATOM 79 OE1 GLU A 21 -5.609 -9.769 -13.900 1.00 0.00 O ATOM 80 OE2 GLU A 21 -6.462 -7.764 -13.610 1.00 0.00 O ATOM 0 H GLU A 21 -4.236 -10.520 -8.673 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.828 -10.393 -11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.239 -10.419 -11.537 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.444 -9.207 -10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.944 -7.478 -11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.693 -8.370 -12.523 1.00 0.00 H new ATOM 87 N LEU A 22 -1.555 -8.376 -10.663 1.00 0.00 N ATOM 88 CA LEU A 22 -0.751 -7.217 -10.303 1.00 0.00 C ATOM 89 C LEU A 22 -1.526 -5.918 -10.486 1.00 0.00 C ATOM 90 O LEU A 22 -2.290 -5.765 -11.440 1.00 0.00 O ATOM 91 CB LEU A 22 0.524 -7.183 -11.139 1.00 0.00 C ATOM 92 CG LEU A 22 1.684 -7.979 -10.555 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.884 -7.939 -11.488 1.00 0.00 C ATOM 94 CD2 LEU A 22 2.056 -7.439 -9.182 1.00 0.00 C ATOM 0 H LEU A 22 -1.174 -8.932 -11.428 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.492 -7.308 -9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.301 -7.567 -12.134 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.836 -6.146 -11.260 1.00 0.00 H new ATOM 0 HG LEU A 22 1.371 -9.018 -10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.702 -8.513 -11.053 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.610 -8.369 -12.451 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.201 -6.906 -11.629 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.886 -8.017 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.351 -6.393 -9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.198 -7.519 -8.515 1.00 0.00 H new ATOM 106 N HIS A 23 -1.315 -4.984 -9.567 1.00 0.00 N ATOM 107 CA HIS A 23 -1.981 -3.691 -9.617 1.00 0.00 C ATOM 108 C HIS A 23 -1.130 -2.633 -8.915 1.00 0.00 C ATOM 109 O HIS A 23 -0.813 -2.761 -7.731 1.00 0.00 O ATOM 110 CB HIS A 23 -3.377 -3.796 -8.984 1.00 0.00 C ATOM 111 CG HIS A 23 -3.798 -2.593 -8.194 1.00 0.00 C ATOM 112 ND1 HIS A 23 -3.667 -1.301 -8.659 1.00 0.00 N ATOM 113 CD2 HIS A 23 -4.350 -2.492 -6.962 1.00 0.00 C ATOM 114 CE1 HIS A 23 -4.123 -0.458 -7.748 1.00 0.00 C ATOM 115 NE2 HIS A 23 -4.542 -1.157 -6.709 1.00 0.00 N ATOM 0 H HIS A 23 -0.684 -5.100 -8.774 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.102 -3.387 -10.657 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.107 -3.969 -9.774 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.401 -4.669 -8.332 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -3.279 -1.037 -9.565 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.594 -3.310 -6.301 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.148 0.618 -7.838 1.00 0.00 H new ATOM 124 N LYS A 24 -0.758 -1.596 -9.657 1.00 0.00 N ATOM 125 CA LYS A 24 0.060 -0.519 -9.113 1.00 0.00 C ATOM 126 C LYS A 24 -0.733 0.314 -8.112 1.00 0.00 C ATOM 127 O LYS A 24 -1.803 0.832 -8.433 1.00 0.00 O ATOM 128 CB LYS A 24 0.578 0.375 -10.239 1.00 0.00 C ATOM 129 CG LYS A 24 1.779 1.218 -9.842 1.00 0.00 C ATOM 130 CD LYS A 24 3.065 0.677 -10.444 1.00 0.00 C ATOM 131 CE LYS A 24 4.221 1.645 -10.250 1.00 0.00 C ATOM 132 NZ LYS A 24 4.772 1.584 -8.868 1.00 0.00 N ATOM 0 H LYS A 24 -1.010 -1.479 -10.638 1.00 0.00 H new ATOM 0 HA LYS A 24 0.908 -0.967 -8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.848 -0.248 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.226 1.034 -10.567 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.627 2.246 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.866 1.240 -8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.309 -0.280 -9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.920 0.491 -11.508 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.010 1.415 -10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.884 2.660 -10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.803 1.718 -8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.342 2.334 -8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.556 0.657 -8.449 1.00 0.00 H new ATOM 146 N VAL A 25 -0.205 0.436 -6.899 1.00 0.00 N ATOM 147 CA VAL A 25 -0.870 1.205 -5.855 1.00 0.00 C ATOM 148 C VAL A 25 0.066 2.255 -5.265 1.00 0.00 C ATOM 149 O VAL A 25 1.250 1.999 -5.047 1.00 0.00 O ATOM 150 CB VAL A 25 -1.389 0.305 -4.710 1.00 0.00 C ATOM 151 CG1 VAL A 25 -2.881 0.509 -4.502 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.078 -1.163 -4.980 1.00 0.00 C ATOM 0 H VAL A 25 0.679 0.013 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.720 1.693 -6.331 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.871 0.594 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.227 -0.133 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.074 1.551 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.414 0.256 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.455 -1.772 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.557 -1.471 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.000 -1.297 -5.066 1.00 0.00 H new ATOM 162 N THR A 26 -0.480 3.434 -5.002 1.00 0.00 N ATOM 163 CA THR A 26 0.290 4.529 -4.429 1.00 0.00 C ATOM 164 C THR A 26 -0.490 5.183 -3.291 1.00 0.00 C ATOM 165 O THR A 26 -1.577 5.721 -3.503 1.00 0.00 O ATOM 166 CB THR A 26 0.618 5.567 -5.503 1.00 0.00 C ATOM 167 OG1 THR A 26 1.381 4.984 -6.546 1.00 0.00 O ATOM 168 CG2 THR A 26 1.397 6.754 -4.976 1.00 0.00 C ATOM 0 H THR A 26 -1.460 3.657 -5.178 1.00 0.00 H new ATOM 0 HA THR A 26 1.223 4.128 -4.033 1.00 0.00 H new ATOM 0 HB THR A 26 -0.348 5.920 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.580 5.663 -7.224 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.595 7.450 -5.791 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.816 7.256 -4.203 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.342 6.411 -4.554 1.00 0.00 H new ATOM 176 N LEU A 27 0.061 5.121 -2.084 1.00 0.00 N ATOM 177 CA LEU A 27 -0.599 5.698 -0.918 1.00 0.00 C ATOM 178 C LEU A 27 0.213 6.844 -0.324 1.00 0.00 C ATOM 179 O LEU A 27 1.380 7.039 -0.664 1.00 0.00 O ATOM 180 CB LEU A 27 -0.825 4.621 0.145 1.00 0.00 C ATOM 181 CG LEU A 27 -1.670 3.429 -0.313 1.00 0.00 C ATOM 182 CD1 LEU A 27 -0.793 2.207 -0.541 1.00 0.00 C ATOM 183 CD2 LEU A 27 -2.762 3.121 0.703 1.00 0.00 C ATOM 0 H LEU A 27 0.959 4.679 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.559 6.097 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.145 4.253 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.307 5.079 1.008 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.146 3.692 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.412 1.371 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.051 2.429 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.286 1.944 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.351 2.271 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.307 2.882 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.411 3.990 0.815 1.00 0.00 H new ATOM 195 N TYR A 28 -0.420 7.593 0.575 1.00 0.00 N ATOM 196 CA TYR A 28 0.227 8.719 1.239 1.00 0.00 C ATOM 197 C TYR A 28 -0.080 8.696 2.732 1.00 0.00 C ATOM 198 O TYR A 28 -1.242 8.720 3.134 1.00 0.00 O ATOM 199 CB TYR A 28 -0.245 10.040 0.628 1.00 0.00 C ATOM 200 CG TYR A 28 -0.127 10.090 -0.879 1.00 0.00 C ATOM 201 CD1 TYR A 28 -0.904 9.268 -1.685 1.00 0.00 C ATOM 202 CD2 TYR A 28 0.762 10.962 -1.497 1.00 0.00 C ATOM 203 CE1 TYR A 28 -0.800 9.312 -3.062 1.00 0.00 C ATOM 204 CE2 TYR A 28 0.872 11.011 -2.874 1.00 0.00 C ATOM 205 CZ TYR A 28 0.088 10.185 -3.651 1.00 0.00 C ATOM 206 OH TYR A 28 0.196 10.232 -5.023 1.00 0.00 O ATOM 0 H TYR A 28 -1.387 7.438 0.861 1.00 0.00 H new ATOM 0 HA TYR A 28 1.304 8.633 1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.285 10.208 0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.337 10.856 1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.602 8.582 -1.227 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.377 11.612 -0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.412 8.665 -3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.569 11.693 -3.339 1.00 0.00 H new ATOM 0 HH TYR A 28 0.866 10.901 -5.276 1.00 0.00 H new ATOM 216 N LYS A 29 0.964 8.642 3.551 1.00 0.00 N ATOM 217 CA LYS A 29 0.793 8.605 5.001 1.00 0.00 C ATOM 218 C LYS A 29 0.895 10.002 5.606 1.00 0.00 C ATOM 219 O LYS A 29 1.385 10.934 4.968 1.00 0.00 O ATOM 220 CB LYS A 29 1.836 7.683 5.638 1.00 0.00 C ATOM 221 CG LYS A 29 1.479 7.239 7.047 1.00 0.00 C ATOM 222 CD LYS A 29 2.286 7.995 8.091 1.00 0.00 C ATOM 223 CE LYS A 29 2.728 7.082 9.223 1.00 0.00 C ATOM 224 NZ LYS A 29 4.085 6.521 8.987 1.00 0.00 N ATOM 0 H LYS A 29 1.935 8.623 3.239 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.203 8.215 5.209 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.961 6.801 5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.797 8.197 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.415 7.400 7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.661 6.169 7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.161 8.443 7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.687 8.812 8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.723 7.638 10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.012 6.267 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.349 5.904 9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.084 5.969 8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.773 7.297 8.908 1.00 0.00 H new ATOM 238 N ASP A 30 0.428 10.136 6.844 1.00 0.00 N ATOM 239 CA ASP A 30 0.463 11.416 7.541 1.00 0.00 C ATOM 240 C ASP A 30 0.909 11.235 8.988 1.00 0.00 C ATOM 241 O ASP A 30 0.506 10.284 9.657 1.00 0.00 O ATOM 242 CB ASP A 30 -0.915 12.082 7.497 1.00 0.00 C ATOM 243 CG ASP A 30 -0.827 13.578 7.265 1.00 0.00 C ATOM 244 OD1 ASP A 30 -0.516 14.310 8.229 1.00 0.00 O ATOM 245 OD2 ASP A 30 -1.069 14.016 6.122 1.00 0.00 O ATOM 0 H ASP A 30 0.021 9.373 7.385 1.00 0.00 H new ATOM 0 HA ASP A 30 1.185 12.058 7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.510 11.628 6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.437 11.893 8.435 1.00 0.00 H new ATOM 250 N SER A 31 1.741 12.156 9.464 1.00 0.00 N ATOM 251 CA SER A 31 2.242 12.100 10.832 1.00 0.00 C ATOM 252 C SER A 31 1.094 12.137 11.834 1.00 0.00 C ATOM 253 O SER A 31 0.729 13.198 12.338 1.00 0.00 O ATOM 254 CB SER A 31 3.202 13.263 11.094 1.00 0.00 C ATOM 255 OG SER A 31 4.306 12.847 11.879 1.00 0.00 O ATOM 0 H SER A 31 2.082 12.950 8.922 1.00 0.00 H new ATOM 0 HA SER A 31 2.779 11.160 10.957 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.558 13.666 10.146 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.672 14.068 11.604 1.00 0.00 H new ATOM 0 HG SER A 31 4.905 13.608 12.031 1.00 0.00 H new ATOM 261 N GLY A 32 0.528 10.968 12.119 1.00 0.00 N ATOM 262 CA GLY A 32 -0.574 10.889 13.060 1.00 0.00 C ATOM 263 C GLY A 32 -1.337 9.580 12.965 1.00 0.00 C ATOM 264 O GLY A 32 -1.988 9.165 13.923 1.00 0.00 O ATOM 0 H GLY A 32 0.813 10.075 11.716 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.190 11.007 14.073 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.259 11.717 12.880 1.00 0.00 H new ATOM 268 N MET A 33 -1.259 8.928 11.808 1.00 0.00 N ATOM 269 CA MET A 33 -1.953 7.660 11.599 1.00 0.00 C ATOM 270 C MET A 33 -1.176 6.504 12.220 1.00 0.00 C ATOM 271 O MET A 33 0.035 6.591 12.420 1.00 0.00 O ATOM 272 CB MET A 33 -2.158 7.409 10.104 1.00 0.00 C ATOM 273 CG MET A 33 -3.333 8.172 9.514 1.00 0.00 C ATOM 274 SD MET A 33 -2.998 9.933 9.334 1.00 0.00 S ATOM 275 CE MET A 33 -4.312 10.632 10.330 1.00 0.00 C ATOM 0 H MET A 33 -0.724 9.255 11.003 1.00 0.00 H new ATOM 0 HA MET A 33 -2.926 7.722 12.087 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.250 7.687 9.570 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.310 6.342 9.941 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.581 7.752 8.539 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.207 8.036 10.152 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.239 11.719 10.318 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.277 10.329 9.924 1.00 0.00 H new ATOM 0 HE3 MET A 33 -4.221 10.274 11.356 1.00 0.00 H new ATOM 285 N GLU A 34 -1.885 5.422 12.524 1.00 0.00 N ATOM 286 CA GLU A 34 -1.267 4.243 13.125 1.00 0.00 C ATOM 287 C GLU A 34 -0.729 3.290 12.059 1.00 0.00 C ATOM 288 O GLU A 34 -0.009 2.340 12.372 1.00 0.00 O ATOM 289 CB GLU A 34 -2.272 3.514 14.017 1.00 0.00 C ATOM 290 CG GLU A 34 -2.790 4.362 15.169 1.00 0.00 C ATOM 291 CD GLU A 34 -4.274 4.169 15.416 1.00 0.00 C ATOM 292 OE1 GLU A 34 -5.001 3.860 14.447 1.00 0.00 O ATOM 293 OE2 GLU A 34 -4.708 4.323 16.575 1.00 0.00 O ATOM 0 H GLU A 34 -2.889 5.336 12.364 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.427 4.581 13.731 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.116 3.188 13.409 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.803 2.616 14.420 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.239 4.111 16.076 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.595 5.413 14.958 1.00 0.00 H new ATOM 300 N ASP A 35 -1.081 3.544 10.804 1.00 0.00 N ATOM 301 CA ASP A 35 -0.632 2.705 9.699 1.00 0.00 C ATOM 302 C ASP A 35 -0.633 3.486 8.389 1.00 0.00 C ATOM 303 O ASP A 35 -0.843 4.699 8.381 1.00 0.00 O ATOM 304 CB ASP A 35 -1.527 1.469 9.572 1.00 0.00 C ATOM 305 CG ASP A 35 -0.735 0.208 9.290 1.00 0.00 C ATOM 306 OD1 ASP A 35 0.130 0.240 8.389 1.00 0.00 O ATOM 307 OD2 ASP A 35 -0.978 -0.811 9.970 1.00 0.00 O ATOM 0 H ASP A 35 -1.676 4.324 10.526 1.00 0.00 H new ATOM 0 HA ASP A 35 0.388 2.385 9.909 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.095 1.339 10.493 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.249 1.628 8.771 1.00 0.00 H new ATOM 312 N PHE A 36 -0.396 2.787 7.282 1.00 0.00 N ATOM 313 CA PHE A 36 -0.371 3.426 5.971 1.00 0.00 C ATOM 314 C PHE A 36 -1.701 3.256 5.249 1.00 0.00 C ATOM 315 O PHE A 36 -1.746 3.175 4.023 1.00 0.00 O ATOM 316 CB PHE A 36 0.763 2.861 5.117 1.00 0.00 C ATOM 317 CG PHE A 36 1.507 3.920 4.355 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.871 4.666 3.376 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.842 4.171 4.624 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.556 5.644 2.678 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.532 5.147 3.929 1.00 0.00 C ATOM 322 CZ PHE A 36 2.887 5.884 2.955 1.00 0.00 C ATOM 0 H PHE A 36 -0.219 1.783 7.267 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.199 4.491 6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.462 2.325 5.759 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.354 2.135 4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.170 4.482 3.156 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.350 3.598 5.385 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.050 6.219 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.573 5.333 4.147 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.423 6.647 2.411 1.00 0.00 H new ATOM 332 N GLY A 37 -2.784 3.212 6.016 1.00 0.00 N ATOM 333 CA GLY A 37 -4.097 3.065 5.423 1.00 0.00 C ATOM 334 C GLY A 37 -4.594 1.633 5.415 1.00 0.00 C ATOM 335 O GLY A 37 -5.734 1.373 5.031 1.00 0.00 O ATOM 0 H GLY A 37 -2.775 3.275 7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.807 3.686 5.970 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.070 3.439 4.399 1.00 0.00 H new ATOM 339 N PHE A 38 -3.749 0.697 5.839 1.00 0.00 N ATOM 340 CA PHE A 38 -4.141 -0.707 5.865 1.00 0.00 C ATOM 341 C PHE A 38 -3.105 -1.570 6.580 1.00 0.00 C ATOM 342 O PHE A 38 -1.912 -1.272 6.561 1.00 0.00 O ATOM 343 CB PHE A 38 -4.355 -1.224 4.440 1.00 0.00 C ATOM 344 CG PHE A 38 -3.109 -1.244 3.598 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.696 -0.111 2.912 1.00 0.00 C ATOM 346 CD2 PHE A 38 -2.358 -2.402 3.482 1.00 0.00 C ATOM 347 CE1 PHE A 38 -1.557 -0.135 2.128 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.221 -2.433 2.698 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.818 -1.300 2.020 1.00 0.00 C ATOM 0 H PHE A 38 -2.801 0.883 6.165 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.076 -0.776 6.421 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.763 -2.234 4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.103 -0.602 3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.271 0.800 2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.665 -3.292 4.011 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.245 0.754 1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.647 -3.344 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.071 -1.323 1.407 1.00 0.00 H new ATOM 359 N SER A 39 -3.578 -2.648 7.206 1.00 0.00 N ATOM 360 CA SER A 39 -2.702 -3.565 7.924 1.00 0.00 C ATOM 361 C SER A 39 -2.497 -4.845 7.120 1.00 0.00 C ATOM 362 O SER A 39 -3.454 -5.417 6.594 1.00 0.00 O ATOM 363 CB SER A 39 -3.288 -3.897 9.297 1.00 0.00 C ATOM 364 OG SER A 39 -3.553 -2.717 10.037 1.00 0.00 O ATOM 0 H SER A 39 -4.565 -2.905 7.228 1.00 0.00 H new ATOM 0 HA SER A 39 -1.736 -3.080 8.063 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.208 -4.468 9.175 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.592 -4.528 9.850 1.00 0.00 H new ATOM 0 HG SER A 39 -2.771 -2.128 10.004 1.00 0.00 H new ATOM 370 N VAL A 40 -1.244 -5.282 7.022 1.00 0.00 N ATOM 371 CA VAL A 40 -0.909 -6.486 6.273 1.00 0.00 C ATOM 372 C VAL A 40 -0.876 -7.720 7.171 1.00 0.00 C ATOM 373 O VAL A 40 -0.951 -7.614 8.395 1.00 0.00 O ATOM 374 CB VAL A 40 0.449 -6.340 5.561 1.00 0.00 C ATOM 375 CG1 VAL A 40 0.416 -5.172 4.587 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.574 -6.168 6.574 1.00 0.00 C ATOM 0 H VAL A 40 -0.444 -4.818 7.453 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.693 -6.617 5.527 1.00 0.00 H new ATOM 0 HB VAL A 40 0.640 -7.252 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.383 -5.083 4.093 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.359 -5.343 3.840 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.200 -4.252 5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.524 -6.067 6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.392 -5.274 7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.612 -7.040 7.227 1.00 0.00 H new ATOM 386 N ALA A 41 -0.767 -8.891 6.548 1.00 0.00 N ATOM 387 CA ALA A 41 -0.726 -10.152 7.279 1.00 0.00 C ATOM 388 C ALA A 41 0.297 -11.106 6.673 1.00 0.00 C ATOM 389 O ALA A 41 0.721 -10.932 5.532 1.00 0.00 O ATOM 390 CB ALA A 41 -2.104 -10.797 7.287 1.00 0.00 C ATOM 0 H ALA A 41 -0.705 -8.991 5.535 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.424 -9.940 8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.062 -11.738 7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.816 -10.127 7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.422 -10.988 6.262 1.00 0.00 H new ATOM 396 N ASP A 42 0.687 -12.118 7.443 1.00 0.00 N ATOM 397 CA ASP A 42 1.656 -13.103 6.977 1.00 0.00 C ATOM 398 C ASP A 42 0.971 -14.182 6.147 1.00 0.00 C ATOM 399 O ASP A 42 -0.040 -14.749 6.559 1.00 0.00 O ATOM 400 CB ASP A 42 2.380 -13.741 8.165 1.00 0.00 C ATOM 401 CG ASP A 42 1.419 -14.279 9.206 1.00 0.00 C ATOM 402 OD1 ASP A 42 0.691 -15.246 8.898 1.00 0.00 O ATOM 403 OD2 ASP A 42 1.396 -13.736 10.331 1.00 0.00 O ATOM 0 H ASP A 42 0.347 -12.277 8.391 1.00 0.00 H new ATOM 0 HA ASP A 42 2.386 -12.591 6.350 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.015 -14.552 7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.035 -13.003 8.627 1.00 0.00 H new ATOM 408 N GLY A 43 1.524 -14.456 4.971 1.00 0.00 N ATOM 409 CA GLY A 43 0.950 -15.460 4.098 1.00 0.00 C ATOM 410 C GLY A 43 1.722 -16.763 4.115 1.00 0.00 C ATOM 411 O GLY A 43 2.822 -16.849 3.568 1.00 0.00 O ATOM 0 H GLY A 43 2.361 -14.000 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.081 -15.650 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.919 -15.074 3.079 1.00 0.00 H new ATOM 415 N LEU A 44 1.141 -17.777 4.740 1.00 0.00 N ATOM 416 CA LEU A 44 1.776 -19.088 4.824 1.00 0.00 C ATOM 417 C LEU A 44 1.292 -20.002 3.707 1.00 0.00 C ATOM 418 O LEU A 44 1.995 -20.922 3.290 1.00 0.00 O ATOM 419 CB LEU A 44 1.500 -19.731 6.186 1.00 0.00 C ATOM 420 CG LEU A 44 1.761 -18.828 7.392 1.00 0.00 C ATOM 421 CD1 LEU A 44 0.472 -18.164 7.853 1.00 0.00 C ATOM 422 CD2 LEU A 44 2.387 -19.623 8.529 1.00 0.00 C ATOM 0 H LEU A 44 0.231 -17.719 5.197 1.00 0.00 H new ATOM 0 HA LEU A 44 2.851 -18.948 4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.460 -20.056 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.116 -20.625 6.280 1.00 0.00 H new ATOM 0 HG LEU A 44 2.460 -18.048 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.679 -17.526 8.712 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.063 -17.561 7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.251 -18.929 8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.566 -18.964 9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.712 -20.425 8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.333 -20.051 8.196 1.00 0.00 H new ATOM 434 N LEU A 45 0.083 -19.742 3.232 1.00 0.00 N ATOM 435 CA LEU A 45 -0.513 -20.538 2.164 1.00 0.00 C ATOM 436 C LEU A 45 -0.068 -20.056 0.784 1.00 0.00 C ATOM 437 O LEU A 45 -0.387 -20.679 -0.228 1.00 0.00 O ATOM 438 CB LEU A 45 -2.037 -20.496 2.260 1.00 0.00 C ATOM 439 CG LEU A 45 -2.764 -21.586 1.468 1.00 0.00 C ATOM 440 CD1 LEU A 45 -3.264 -22.680 2.400 1.00 0.00 C ATOM 441 CD2 LEU A 45 -3.917 -20.992 0.672 1.00 0.00 C ATOM 0 H LEU A 45 -0.509 -18.983 3.570 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.169 -21.565 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.323 -20.578 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.382 -19.523 1.911 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.057 -22.029 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.778 -23.446 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.418 -23.127 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.954 -22.252 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.421 -21.783 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.625 -20.520 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.532 -20.247 -0.025 1.00 0.00 H new ATOM 453 N GLU A 46 0.664 -18.947 0.744 1.00 0.00 N ATOM 454 CA GLU A 46 1.139 -18.396 -0.522 1.00 0.00 C ATOM 455 C GLU A 46 2.426 -17.603 -0.322 1.00 0.00 C ATOM 456 O GLU A 46 2.697 -16.656 -1.060 1.00 0.00 O ATOM 457 CB GLU A 46 0.072 -17.498 -1.155 1.00 0.00 C ATOM 458 CG GLU A 46 -1.355 -17.958 -0.897 1.00 0.00 C ATOM 459 CD GLU A 46 -2.381 -17.117 -1.634 1.00 0.00 C ATOM 460 OE1 GLU A 46 -2.136 -15.906 -1.817 1.00 0.00 O ATOM 461 OE2 GLU A 46 -3.431 -17.670 -2.025 1.00 0.00 O ATOM 0 H GLU A 46 0.940 -18.414 1.569 1.00 0.00 H new ATOM 0 HA GLU A 46 1.343 -19.231 -1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.191 -16.484 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.240 -17.454 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.458 -19.000 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.558 -17.917 0.173 1.00 0.00 H new ATOM 468 N LYS A 47 3.215 -18.004 0.678 1.00 0.00 N ATOM 469 CA LYS A 47 4.487 -17.348 0.998 1.00 0.00 C ATOM 470 C LYS A 47 4.499 -15.877 0.578 1.00 0.00 C ATOM 471 O LYS A 47 4.861 -15.549 -0.552 1.00 0.00 O ATOM 472 CB LYS A 47 5.643 -18.091 0.322 1.00 0.00 C ATOM 473 CG LYS A 47 6.398 -19.020 1.258 1.00 0.00 C ATOM 474 CD LYS A 47 7.424 -18.262 2.085 1.00 0.00 C ATOM 475 CE LYS A 47 6.806 -17.697 3.354 1.00 0.00 C ATOM 476 NZ LYS A 47 7.744 -17.775 4.508 1.00 0.00 N ATOM 0 H LYS A 47 2.992 -18.791 1.288 1.00 0.00 H new ATOM 0 HA LYS A 47 4.608 -17.382 2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.252 -18.670 -0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.339 -17.362 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.693 -19.522 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.898 -19.796 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.248 -18.927 2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.845 -17.451 1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.520 -16.658 3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.894 -18.245 3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.287 -17.380 5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.997 -18.768 4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.604 -17.231 4.294 1.00 0.00 H new ATOM 490 N GLY A 48 4.100 -14.999 1.492 1.00 0.00 N ATOM 491 CA GLY A 48 4.070 -13.580 1.196 1.00 0.00 C ATOM 492 C GLY A 48 3.124 -12.824 2.105 1.00 0.00 C ATOM 493 O GLY A 48 2.239 -13.417 2.718 1.00 0.00 O ATOM 0 H GLY A 48 3.796 -15.246 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.074 -13.169 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.769 -13.434 0.159 1.00 0.00 H new ATOM 497 N VAL A 49 3.310 -11.514 2.199 1.00 0.00 N ATOM 498 CA VAL A 49 2.461 -10.688 3.046 1.00 0.00 C ATOM 499 C VAL A 49 1.413 -9.946 2.226 1.00 0.00 C ATOM 500 O VAL A 49 1.724 -9.351 1.193 1.00 0.00 O ATOM 501 CB VAL A 49 3.289 -9.663 3.848 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.404 -8.891 4.816 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.420 -10.357 4.590 1.00 0.00 C ATOM 0 H VAL A 49 4.038 -11.002 1.701 1.00 0.00 H new ATOM 0 HA VAL A 49 1.961 -11.364 3.740 1.00 0.00 H new ATOM 0 HB VAL A 49 3.724 -8.951 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.010 -8.174 5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.632 -8.360 4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.935 -9.585 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.994 -9.619 5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.006 -11.094 5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.072 -10.856 3.874 1.00 0.00 H new ATOM 513 N TYR A 50 0.171 -9.981 2.695 1.00 0.00 N ATOM 514 CA TYR A 50 -0.925 -9.304 2.010 1.00 0.00 C ATOM 515 C TYR A 50 -1.642 -8.359 2.960 1.00 0.00 C ATOM 516 O TYR A 50 -1.254 -8.216 4.117 1.00 0.00 O ATOM 517 CB TYR A 50 -1.930 -10.310 1.435 1.00 0.00 C ATOM 518 CG TYR A 50 -1.442 -11.740 1.399 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.233 -12.066 0.799 1.00 0.00 C ATOM 520 CD2 TYR A 50 -2.195 -12.765 1.958 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.210 -13.374 0.756 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.759 -14.072 1.920 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.556 -14.373 1.318 1.00 0.00 C ATOM 524 OH TYR A 50 -0.119 -15.676 1.275 1.00 0.00 O ATOM 0 H TYR A 50 -0.103 -10.471 3.547 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.495 -8.734 1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.845 -10.267 2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.191 -10.004 0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.370 -11.285 0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.138 -12.534 2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.152 -13.613 0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.357 -14.856 2.360 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.774 -16.256 1.716 1.00 0.00 H new ATOM 534 N VAL A 51 -2.695 -7.722 2.464 1.00 0.00 N ATOM 535 CA VAL A 51 -3.475 -6.796 3.272 1.00 0.00 C ATOM 536 C VAL A 51 -4.601 -7.528 3.992 1.00 0.00 C ATOM 537 O VAL A 51 -4.958 -8.649 3.626 1.00 0.00 O ATOM 538 CB VAL A 51 -4.058 -5.661 2.409 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.755 -4.625 3.278 1.00 0.00 C ATOM 540 CG2 VAL A 51 -2.958 -5.015 1.583 1.00 0.00 C ATOM 0 H VAL A 51 -3.028 -7.830 1.506 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.805 -6.359 4.012 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.799 -6.086 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.159 -3.833 2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.567 -5.099 3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.039 -4.199 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.381 -4.214 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.198 -4.604 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.505 -5.763 0.932 1.00 0.00 H new ATOM 550 N LYS A 52 -5.150 -6.899 5.023 1.00 0.00 N ATOM 551 CA LYS A 52 -6.223 -7.503 5.800 1.00 0.00 C ATOM 552 C LYS A 52 -7.213 -6.446 6.269 1.00 0.00 C ATOM 553 O LYS A 52 -8.426 -6.649 6.224 1.00 0.00 O ATOM 554 CB LYS A 52 -5.634 -8.259 6.998 1.00 0.00 C ATOM 555 CG LYS A 52 -6.656 -8.651 8.058 1.00 0.00 C ATOM 556 CD LYS A 52 -6.775 -10.160 8.187 1.00 0.00 C ATOM 557 CE LYS A 52 -7.694 -10.740 7.124 1.00 0.00 C ATOM 558 NZ LYS A 52 -9.115 -10.353 7.345 1.00 0.00 N ATOM 0 H LYS A 52 -4.870 -5.971 5.340 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.761 -8.207 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.140 -9.161 6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.867 -7.639 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.367 -8.225 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.628 -8.229 7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.787 -10.612 8.101 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.157 -10.413 9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.373 -10.396 6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.610 -11.827 7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.737 -11.002 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.335 -10.406 8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.267 -9.381 7.008 1.00 0.00 H new ATOM 572 N ASN A 53 -6.684 -5.324 6.711 1.00 0.00 N ATOM 573 CA ASN A 53 -7.512 -4.223 7.188 1.00 0.00 C ATOM 574 C ASN A 53 -7.205 -2.947 6.413 1.00 0.00 C ATOM 575 O ASN A 53 -6.046 -2.576 6.258 1.00 0.00 O ATOM 576 CB ASN A 53 -7.281 -3.995 8.684 1.00 0.00 C ATOM 577 CG ASN A 53 -7.644 -5.209 9.515 1.00 0.00 C ATOM 578 OD1 ASN A 53 -8.820 -5.521 9.701 1.00 0.00 O ATOM 579 ND2 ASN A 53 -6.630 -5.903 10.021 1.00 0.00 N ATOM 0 H ASN A 53 -5.681 -5.145 6.752 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.558 -4.485 7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.234 -3.742 8.853 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.873 -3.141 9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.811 -6.731 10.589 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.670 -5.608 9.841 1.00 0.00 H new ATOM 586 N ILE A 54 -8.248 -2.285 5.922 1.00 0.00 N ATOM 587 CA ILE A 54 -8.079 -1.058 5.157 1.00 0.00 C ATOM 588 C ILE A 54 -9.093 0.001 5.576 1.00 0.00 C ATOM 589 O ILE A 54 -10.300 -0.190 5.428 1.00 0.00 O ATOM 590 CB ILE A 54 -8.229 -1.326 3.651 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.289 -2.465 3.225 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.965 -0.049 2.857 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.563 -2.227 1.914 1.00 0.00 C ATOM 0 H ILE A 54 -9.218 -2.579 6.041 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.074 -0.689 5.362 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.252 -1.639 3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.550 -2.622 4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.868 -3.385 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.075 -0.254 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.679 0.719 3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.952 0.301 3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.923 -3.081 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.291 -2.102 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.953 -1.327 1.994 1.00 0.00 H new ATOM 605 N ARG A 55 -8.595 1.120 6.090 1.00 0.00 N ATOM 606 CA ARG A 55 -9.461 2.214 6.519 1.00 0.00 C ATOM 607 C ARG A 55 -10.162 2.849 5.316 1.00 0.00 C ATOM 608 O ARG A 55 -9.517 3.498 4.495 1.00 0.00 O ATOM 609 CB ARG A 55 -8.646 3.271 7.270 1.00 0.00 C ATOM 610 CG ARG A 55 -9.060 3.437 8.723 1.00 0.00 C ATOM 611 CD ARG A 55 -8.353 2.435 9.623 1.00 0.00 C ATOM 612 NE ARG A 55 -8.978 2.347 10.940 1.00 0.00 N ATOM 613 CZ ARG A 55 -10.179 1.818 11.158 1.00 0.00 C ATOM 614 NH1 ARG A 55 -10.888 1.328 10.148 1.00 0.00 N ATOM 615 NH2 ARG A 55 -10.673 1.778 12.386 1.00 0.00 N ATOM 0 H ARG A 55 -7.598 1.294 6.220 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.220 1.810 7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.591 3.001 7.230 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.749 4.228 6.759 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.831 4.450 9.054 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.139 3.309 8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.363 1.453 9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.308 2.723 9.736 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.463 2.713 11.741 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.512 1.356 9.200 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.808 0.923 10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.133 2.153 13.166 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.594 1.372 12.552 1.00 0.00 H new ATOM 629 N PRO A 56 -11.490 2.666 5.188 1.00 0.00 N ATOM 630 CA PRO A 56 -12.262 3.225 4.069 1.00 0.00 C ATOM 631 C PRO A 56 -12.351 4.751 4.115 1.00 0.00 C ATOM 632 O PRO A 56 -13.444 5.318 4.091 1.00 0.00 O ATOM 633 CB PRO A 56 -13.660 2.606 4.239 1.00 0.00 C ATOM 634 CG PRO A 56 -13.489 1.496 5.224 1.00 0.00 C ATOM 635 CD PRO A 56 -12.345 1.900 6.105 1.00 0.00 C ATOM 0 HA PRO A 56 -11.793 2.997 3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -14.375 3.345 4.601 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.042 2.232 3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.398 1.348 5.807 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.278 0.554 4.718 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.677 2.504 6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.825 1.035 6.517 1.00 0.00 H new ATOM 643 N ALA A 57 -11.200 5.412 4.173 1.00 0.00 N ATOM 644 CA ALA A 57 -11.155 6.864 4.213 1.00 0.00 C ATOM 645 C ALA A 57 -9.722 7.375 4.124 1.00 0.00 C ATOM 646 O ALA A 57 -9.435 8.330 3.404 1.00 0.00 O ATOM 647 CB ALA A 57 -11.828 7.381 5.475 1.00 0.00 C ATOM 0 H ALA A 57 -10.285 4.961 4.193 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.699 7.241 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.786 8.470 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.869 7.058 5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.312 6.986 6.350 1.00 0.00 H new ATOM 653 N GLY A 58 -8.826 6.732 4.867 1.00 0.00 N ATOM 654 CA GLY A 58 -7.433 7.135 4.867 1.00 0.00 C ATOM 655 C GLY A 58 -6.728 6.805 3.565 1.00 0.00 C ATOM 656 O GLY A 58 -7.364 6.736 2.512 1.00 0.00 O ATOM 0 H GLY A 58 -9.041 5.938 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.369 8.208 5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.916 6.642 5.690 1.00 0.00 H new ATOM 660 N PRO A 59 -5.403 6.591 3.605 1.00 0.00 N ATOM 661 CA PRO A 59 -4.613 6.266 2.410 1.00 0.00 C ATOM 662 C PRO A 59 -5.053 4.955 1.772 1.00 0.00 C ATOM 663 O PRO A 59 -5.028 4.806 0.550 1.00 0.00 O ATOM 664 CB PRO A 59 -3.179 6.145 2.942 1.00 0.00 C ATOM 665 CG PRO A 59 -3.190 6.845 4.259 1.00 0.00 C ATOM 666 CD PRO A 59 -4.568 6.651 4.815 1.00 0.00 C ATOM 0 HA PRO A 59 -4.726 7.020 1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.887 5.101 3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.465 6.604 2.258 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.437 6.430 4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.962 7.904 4.140 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.642 5.736 5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.860 7.474 5.468 1.00 0.00 H new ATOM 674 N GLY A 60 -5.450 4.002 2.610 1.00 0.00 N ATOM 675 CA GLY A 60 -5.889 2.710 2.115 1.00 0.00 C ATOM 676 C GLY A 60 -7.032 2.820 1.124 1.00 0.00 C ATOM 677 O GLY A 60 -6.976 2.245 0.038 1.00 0.00 O ATOM 0 H GLY A 60 -5.475 4.102 3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.049 2.203 1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.201 2.090 2.956 1.00 0.00 H new ATOM 681 N ASP A 61 -8.068 3.567 1.494 1.00 0.00 N ATOM 682 CA ASP A 61 -9.219 3.755 0.624 1.00 0.00 C ATOM 683 C ASP A 61 -8.865 4.692 -0.520 1.00 0.00 C ATOM 684 O ASP A 61 -9.326 4.519 -1.649 1.00 0.00 O ATOM 685 CB ASP A 61 -10.400 4.320 1.415 1.00 0.00 C ATOM 686 CG ASP A 61 -11.738 3.909 0.831 1.00 0.00 C ATOM 687 OD1 ASP A 61 -11.919 2.704 0.552 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.603 4.790 0.652 1.00 0.00 O ATOM 0 H ASP A 61 -8.132 4.051 2.390 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.504 2.786 0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.338 3.979 2.448 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.334 5.408 1.434 1.00 0.00 H new ATOM 693 N LEU A 62 -8.039 5.685 -0.217 1.00 0.00 N ATOM 694 CA LEU A 62 -7.615 6.657 -1.212 1.00 0.00 C ATOM 695 C LEU A 62 -6.866 5.977 -2.356 1.00 0.00 C ATOM 696 O LEU A 62 -6.898 6.445 -3.495 1.00 0.00 O ATOM 697 CB LEU A 62 -6.728 7.724 -0.566 1.00 0.00 C ATOM 698 CG LEU A 62 -7.453 8.677 0.388 1.00 0.00 C ATOM 699 CD1 LEU A 62 -6.463 9.339 1.335 1.00 0.00 C ATOM 700 CD2 LEU A 62 -8.226 9.727 -0.395 1.00 0.00 C ATOM 0 H LEU A 62 -7.649 5.837 0.713 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.506 7.134 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.927 7.227 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.259 8.311 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.161 8.099 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.996 10.013 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.952 8.574 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.731 9.905 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.735 10.396 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.536 10.302 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.962 9.237 -1.033 1.00 0.00 H new ATOM 712 N GLY A 63 -6.198 4.870 -2.048 1.00 0.00 N ATOM 713 CA GLY A 63 -5.454 4.145 -3.062 1.00 0.00 C ATOM 714 C GLY A 63 -6.326 3.176 -3.837 1.00 0.00 C ATOM 715 O GLY A 63 -6.337 3.188 -5.068 1.00 0.00 O ATOM 0 H GLY A 63 -6.159 4.462 -1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.001 4.855 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.639 3.597 -2.589 1.00 0.00 H new ATOM 719 N GLY A 64 -7.061 2.336 -3.114 1.00 0.00 N ATOM 720 CA GLY A 64 -7.931 1.369 -3.756 1.00 0.00 C ATOM 721 C GLY A 64 -7.429 -0.055 -3.615 1.00 0.00 C ATOM 722 O GLY A 64 -7.375 -0.801 -4.593 1.00 0.00 O ATOM 0 H GLY A 64 -7.069 2.308 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.929 1.442 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.022 1.615 -4.814 1.00 0.00 H new ATOM 726 N LEU A 65 -7.057 -0.434 -2.396 1.00 0.00 N ATOM 727 CA LEU A 65 -6.555 -1.778 -2.132 1.00 0.00 C ATOM 728 C LEU A 65 -7.592 -2.615 -1.388 1.00 0.00 C ATOM 729 O LEU A 65 -8.566 -2.085 -0.854 1.00 0.00 O ATOM 730 CB LEU A 65 -5.259 -1.712 -1.320 1.00 0.00 C ATOM 731 CG LEU A 65 -4.347 -0.529 -1.648 1.00 0.00 C ATOM 732 CD1 LEU A 65 -4.550 0.597 -0.646 1.00 0.00 C ATOM 733 CD2 LEU A 65 -2.890 -0.968 -1.671 1.00 0.00 C ATOM 0 H LEU A 65 -7.094 0.171 -1.576 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.352 -2.255 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.514 -1.672 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.702 -2.635 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.610 -0.158 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.892 1.430 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.587 0.931 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.316 0.239 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.256 -0.113 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.615 -1.366 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.754 -1.739 -2.429 1.00 0.00 H new ATOM 745 N LYS A 66 -7.369 -3.925 -1.356 1.00 0.00 N ATOM 746 CA LYS A 66 -8.280 -4.843 -0.676 1.00 0.00 C ATOM 747 C LYS A 66 -7.505 -5.804 0.223 1.00 0.00 C ATOM 748 O LYS A 66 -6.309 -6.007 0.036 1.00 0.00 O ATOM 749 CB LYS A 66 -9.096 -5.633 -1.700 1.00 0.00 C ATOM 750 CG LYS A 66 -10.267 -4.855 -2.279 1.00 0.00 C ATOM 751 CD LYS A 66 -11.531 -5.697 -2.326 1.00 0.00 C ATOM 752 CE LYS A 66 -11.344 -6.938 -3.186 1.00 0.00 C ATOM 753 NZ LYS A 66 -11.315 -6.610 -4.637 1.00 0.00 N ATOM 0 H LYS A 66 -6.565 -4.376 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.958 -4.256 -0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.440 -5.943 -2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.472 -6.541 -1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.445 -3.964 -1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.018 -4.516 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.810 -5.993 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.353 -5.100 -2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.415 -7.435 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.153 -7.641 -2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.186 -7.483 -5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.212 -6.158 -4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.527 -5.959 -4.830 1.00 0.00 H new ATOM 767 N PRO A 67 -8.178 -6.414 1.214 1.00 0.00 N ATOM 768 CA PRO A 67 -7.537 -7.358 2.138 1.00 0.00 C ATOM 769 C PRO A 67 -7.062 -8.626 1.432 1.00 0.00 C ATOM 770 O PRO A 67 -7.552 -9.721 1.707 1.00 0.00 O ATOM 771 CB PRO A 67 -8.645 -7.685 3.146 1.00 0.00 C ATOM 772 CG PRO A 67 -9.916 -7.382 2.430 1.00 0.00 C ATOM 773 CD PRO A 67 -9.610 -6.234 1.513 1.00 0.00 C ATOM 0 HA PRO A 67 -6.643 -6.935 2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.604 -8.730 3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.547 -7.083 4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.263 -8.249 1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.707 -7.120 3.133 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.218 -6.268 0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.804 -5.274 1.991 1.00 0.00 H new ATOM 781 N TYR A 68 -6.103 -8.467 0.524 1.00 0.00 N ATOM 782 CA TYR A 68 -5.555 -9.593 -0.221 1.00 0.00 C ATOM 783 C TYR A 68 -4.373 -9.164 -1.091 1.00 0.00 C ATOM 784 O TYR A 68 -3.466 -9.955 -1.350 1.00 0.00 O ATOM 785 CB TYR A 68 -6.637 -10.234 -1.093 1.00 0.00 C ATOM 786 CG TYR A 68 -7.370 -11.367 -0.412 1.00 0.00 C ATOM 787 CD1 TYR A 68 -6.688 -12.495 0.025 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.742 -11.306 -0.204 1.00 0.00 C ATOM 789 CE1 TYR A 68 -7.355 -13.531 0.653 1.00 0.00 C ATOM 790 CE2 TYR A 68 -9.415 -12.338 0.420 1.00 0.00 C ATOM 791 CZ TYR A 68 -8.718 -13.448 0.847 1.00 0.00 C ATOM 792 OH TYR A 68 -9.384 -14.478 1.471 1.00 0.00 O ATOM 0 H TYR A 68 -5.689 -7.565 0.287 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.197 -10.325 0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.357 -9.470 -1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.180 -10.607 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.621 -12.564 -0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.291 -10.437 -0.536 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.811 -14.401 0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.482 -12.276 0.573 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.338 -14.262 1.530 1.00 0.00 H new ATOM 802 N ASP A 69 -4.389 -7.913 -1.545 1.00 0.00 N ATOM 803 CA ASP A 69 -3.321 -7.387 -2.384 1.00 0.00 C ATOM 804 C ASP A 69 -1.961 -7.663 -1.763 1.00 0.00 C ATOM 805 O ASP A 69 -1.490 -6.928 -0.897 1.00 0.00 O ATOM 806 CB ASP A 69 -3.505 -5.885 -2.632 1.00 0.00 C ATOM 807 CG ASP A 69 -3.388 -5.049 -1.374 1.00 0.00 C ATOM 808 OD1 ASP A 69 -2.260 -4.629 -1.043 1.00 0.00 O ATOM 809 OD2 ASP A 69 -4.425 -4.804 -0.728 1.00 0.00 O ATOM 0 H ASP A 69 -5.133 -7.245 -1.344 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.369 -7.898 -3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.760 -5.549 -3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.483 -5.716 -3.082 1.00 0.00 H new ATOM 814 N ARG A 70 -1.346 -8.741 -2.214 1.00 0.00 N ATOM 815 CA ARG A 70 -0.046 -9.147 -1.721 1.00 0.00 C ATOM 816 C ARG A 70 1.044 -8.239 -2.277 1.00 0.00 C ATOM 817 O ARG A 70 1.422 -8.346 -3.443 1.00 0.00 O ATOM 818 CB ARG A 70 0.205 -10.600 -2.112 1.00 0.00 C ATOM 819 CG ARG A 70 1.634 -11.070 -1.882 1.00 0.00 C ATOM 820 CD ARG A 70 1.799 -12.543 -2.223 1.00 0.00 C ATOM 821 NE ARG A 70 1.875 -12.766 -3.665 1.00 0.00 N ATOM 822 CZ ARG A 70 2.385 -13.863 -4.219 1.00 0.00 C ATOM 823 NH1 ARG A 70 2.861 -14.841 -3.456 1.00 0.00 N ATOM 824 NH2 ARG A 70 2.421 -13.985 -5.539 1.00 0.00 N ATOM 0 H ARG A 70 -1.733 -9.356 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.026 -9.061 -0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.472 -11.239 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.043 -10.729 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.316 -10.476 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.910 -10.904 -0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.703 -12.926 -1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.961 -13.106 -1.813 1.00 0.00 H new ATOM 0 HE ARG A 70 1.516 -12.038 -4.283 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.837 -14.753 -2.440 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.251 -15.680 -3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.058 -13.238 -6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.812 -14.826 -5.963 1.00 0.00 H new ATOM 838 N LEU A 71 1.540 -7.337 -1.435 1.00 0.00 N ATOM 839 CA LEU A 71 2.581 -6.400 -1.839 1.00 0.00 C ATOM 840 C LEU A 71 3.784 -7.135 -2.416 1.00 0.00 C ATOM 841 O LEU A 71 4.532 -7.791 -1.692 1.00 0.00 O ATOM 842 CB LEU A 71 3.011 -5.545 -0.648 1.00 0.00 C ATOM 843 CG LEU A 71 1.879 -4.753 0.014 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.851 -5.009 1.513 1.00 0.00 C ATOM 845 CD2 LEU A 71 2.025 -3.266 -0.277 1.00 0.00 C ATOM 0 H LEU A 71 1.236 -7.236 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 71 2.172 -5.753 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.469 -6.192 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.780 -4.846 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 71 0.932 -5.091 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.040 -4.437 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.693 -6.072 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.800 -4.702 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.212 -2.720 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.979 -2.911 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.989 -3.101 -1.354 1.00 0.00 H new ATOM 857 N LEU A 72 3.961 -7.024 -3.729 1.00 0.00 N ATOM 858 CA LEU A 72 5.068 -7.682 -4.405 1.00 0.00 C ATOM 859 C LEU A 72 6.346 -6.854 -4.302 1.00 0.00 C ATOM 860 O LEU A 72 7.314 -7.269 -3.666 1.00 0.00 O ATOM 861 CB LEU A 72 4.717 -7.936 -5.876 1.00 0.00 C ATOM 862 CG LEU A 72 3.439 -8.752 -6.127 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.532 -9.483 -7.457 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.178 -9.746 -5.000 1.00 0.00 C ATOM 0 H LEU A 72 3.351 -6.484 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 72 5.244 -8.638 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.615 -6.973 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.554 -8.453 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 72 2.602 -8.054 -6.159 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.620 -10.057 -7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.655 -8.759 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.388 -10.158 -7.442 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.267 -10.305 -5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.018 -10.437 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.063 -9.208 -4.059 1.00 0.00 H new ATOM 876 N GLN A 73 6.345 -5.684 -4.931 1.00 0.00 N ATOM 877 CA GLN A 73 7.509 -4.803 -4.909 1.00 0.00 C ATOM 878 C GLN A 73 7.142 -3.419 -4.385 1.00 0.00 C ATOM 879 O GLN A 73 6.157 -2.822 -4.815 1.00 0.00 O ATOM 880 CB GLN A 73 8.117 -4.688 -6.311 1.00 0.00 C ATOM 881 CG GLN A 73 7.242 -3.930 -7.298 1.00 0.00 C ATOM 882 CD GLN A 73 7.787 -2.553 -7.625 1.00 0.00 C ATOM 883 OE1 GLN A 73 7.634 -1.612 -6.846 1.00 0.00 O ATOM 884 NE2 GLN A 73 8.426 -2.429 -8.782 1.00 0.00 N ATOM 0 H GLN A 73 5.553 -5.323 -5.462 1.00 0.00 H new ATOM 0 HA GLN A 73 8.246 -5.239 -4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.083 -4.189 -6.238 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.304 -5.689 -6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.153 -4.509 -8.217 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.238 -3.830 -6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.529 -3.236 -9.397 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.814 -1.526 -9.056 1.00 0.00 H new ATOM 893 N VAL A 74 7.945 -2.915 -3.454 1.00 0.00 N ATOM 894 CA VAL A 74 7.709 -1.601 -2.872 1.00 0.00 C ATOM 895 C VAL A 74 8.691 -0.576 -3.432 1.00 0.00 C ATOM 896 O VAL A 74 9.862 -0.555 -3.055 1.00 0.00 O ATOM 897 CB VAL A 74 7.830 -1.631 -1.337 1.00 0.00 C ATOM 898 CG1 VAL A 74 7.431 -0.289 -0.741 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.980 -2.752 -0.756 1.00 0.00 C ATOM 0 H VAL A 74 8.765 -3.398 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 74 6.692 -1.313 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 74 8.871 -1.822 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.523 -0.331 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.085 0.491 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.399 -0.064 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.078 -2.758 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.936 -2.594 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.317 -3.709 -1.156 1.00 0.00 H new ATOM 909 N ASN A 75 8.206 0.267 -4.341 1.00 0.00 N ATOM 910 CA ASN A 75 9.039 1.292 -4.963 1.00 0.00 C ATOM 911 C ASN A 75 9.968 0.671 -5.998 1.00 0.00 C ATOM 912 O ASN A 75 9.939 1.029 -7.176 1.00 0.00 O ATOM 913 CB ASN A 75 9.854 2.047 -3.906 1.00 0.00 C ATOM 914 CG ASN A 75 9.603 3.542 -3.941 1.00 0.00 C ATOM 915 OD1 ASN A 75 10.231 4.270 -4.709 1.00 0.00 O ATOM 916 ND2 ASN A 75 8.681 4.007 -3.106 1.00 0.00 N ATOM 0 H ASN A 75 7.238 0.260 -4.663 1.00 0.00 H new ATOM 0 HA ASN A 75 8.382 2.003 -5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.605 1.663 -2.917 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.915 1.856 -4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.469 5.005 -3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.185 3.367 -2.486 1.00 0.00 H new ATOM 923 N HIS A 76 10.790 -0.264 -5.544 1.00 0.00 N ATOM 924 CA HIS A 76 11.735 -0.951 -6.414 1.00 0.00 C ATOM 925 C HIS A 76 12.340 -2.175 -5.721 1.00 0.00 C ATOM 926 O HIS A 76 12.958 -3.019 -6.368 1.00 0.00 O ATOM 927 CB HIS A 76 12.850 0.005 -6.842 1.00 0.00 C ATOM 928 CG HIS A 76 13.694 -0.522 -7.961 1.00 0.00 C ATOM 929 ND1 HIS A 76 13.176 -0.893 -9.183 1.00 0.00 N ATOM 930 CD2 HIS A 76 15.029 -0.735 -8.039 1.00 0.00 C ATOM 931 CE1 HIS A 76 14.154 -1.316 -9.965 1.00 0.00 C ATOM 932 NE2 HIS A 76 15.289 -1.230 -9.294 1.00 0.00 N ATOM 0 H HIS A 76 10.822 -0.566 -4.570 1.00 0.00 H new ATOM 0 HA HIS A 76 11.191 -1.291 -7.295 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.407 0.953 -7.147 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.488 0.213 -5.983 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.754 -0.550 -7.260 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.044 -1.671 -10.979 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.209 -1.489 -9.650 1.00 0.00 H new ATOM 941 N VAL A 77 12.159 -2.267 -4.403 1.00 0.00 N ATOM 942 CA VAL A 77 12.689 -3.387 -3.636 1.00 0.00 C ATOM 943 C VAL A 77 11.729 -4.572 -3.650 1.00 0.00 C ATOM 944 O VAL A 77 10.514 -4.398 -3.567 1.00 0.00 O ATOM 945 CB VAL A 77 12.967 -2.987 -2.174 1.00 0.00 C ATOM 946 CG1 VAL A 77 13.690 -4.105 -1.440 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.768 -1.694 -2.118 1.00 0.00 C ATOM 0 H VAL A 77 11.650 -1.579 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 77 13.626 -3.676 -4.112 1.00 0.00 H new ATOM 0 HB VAL A 77 12.013 -2.818 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.877 -3.802 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.073 -5.004 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.639 -4.311 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.955 -1.427 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.718 -1.832 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 77 13.205 -0.896 -2.602 1.00 0.00 H new ATOM 957 N ARG A 78 12.283 -5.775 -3.745 1.00 0.00 N ATOM 958 CA ARG A 78 11.475 -6.989 -3.759 1.00 0.00 C ATOM 959 C ARG A 78 10.857 -7.236 -2.386 1.00 0.00 C ATOM 960 O ARG A 78 11.557 -7.242 -1.374 1.00 0.00 O ATOM 961 CB ARG A 78 12.326 -8.189 -4.172 1.00 0.00 C ATOM 962 CG ARG A 78 12.416 -8.382 -5.678 1.00 0.00 C ATOM 963 CD ARG A 78 11.493 -9.491 -6.155 1.00 0.00 C ATOM 964 NE ARG A 78 11.989 -10.134 -7.369 1.00 0.00 N ATOM 965 CZ ARG A 78 11.595 -11.333 -7.789 1.00 0.00 C ATOM 966 NH1 ARG A 78 10.699 -12.024 -7.097 1.00 0.00 N ATOM 967 NH2 ARG A 78 12.101 -11.843 -8.904 1.00 0.00 N ATOM 0 H ARG A 78 13.288 -5.936 -3.813 1.00 0.00 H new ATOM 0 HA ARG A 78 10.673 -6.859 -4.485 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.331 -8.067 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.910 -9.091 -3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.157 -7.450 -6.181 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.443 -8.619 -5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.386 -10.237 -5.368 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.501 -9.081 -6.342 1.00 0.00 H new ATOM 0 HE ARG A 78 12.679 -9.633 -7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.308 -11.636 -6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.400 -12.943 -7.424 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.792 -11.316 -9.438 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.800 -12.762 -9.227 1.00 0.00 H new ATOM 981 N THR A 79 9.544 -7.438 -2.358 1.00 0.00 N ATOM 982 CA THR A 79 8.840 -7.683 -1.105 1.00 0.00 C ATOM 983 C THR A 79 7.709 -8.689 -1.296 1.00 0.00 C ATOM 984 O THR A 79 6.734 -8.690 -0.545 1.00 0.00 O ATOM 985 CB THR A 79 8.281 -6.374 -0.546 1.00 0.00 C ATOM 986 OG1 THR A 79 7.475 -5.720 -1.509 1.00 0.00 O ATOM 987 CG2 THR A 79 9.356 -5.402 -0.110 1.00 0.00 C ATOM 0 H THR A 79 8.948 -7.437 -3.186 1.00 0.00 H new ATOM 0 HA THR A 79 9.555 -8.101 -0.396 1.00 0.00 H new ATOM 0 HB THR A 79 7.696 -6.660 0.328 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.621 -6.127 -2.388 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.891 -4.495 0.276 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.965 -5.859 0.671 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.987 -5.151 -0.962 1.00 0.00 H new ATOM 995 N ARG A 80 7.846 -9.549 -2.301 1.00 0.00 N ATOM 996 CA ARG A 80 6.835 -10.563 -2.580 1.00 0.00 C ATOM 997 C ARG A 80 6.884 -11.671 -1.534 1.00 0.00 C ATOM 998 O ARG A 80 5.870 -12.004 -0.919 1.00 0.00 O ATOM 999 CB ARG A 80 7.040 -11.152 -3.976 1.00 0.00 C ATOM 1000 CG ARG A 80 6.752 -10.171 -5.101 1.00 0.00 C ATOM 1001 CD ARG A 80 7.594 -10.471 -6.332 1.00 0.00 C ATOM 1002 NE ARG A 80 6.813 -10.391 -7.564 1.00 0.00 N ATOM 1003 CZ ARG A 80 7.352 -10.270 -8.776 1.00 0.00 C ATOM 1004 NH1 ARG A 80 8.670 -10.213 -8.922 1.00 0.00 N ATOM 1005 NH2 ARG A 80 6.569 -10.203 -9.844 1.00 0.00 N ATOM 0 H ARG A 80 8.645 -9.564 -2.934 1.00 0.00 H new ATOM 0 HA ARG A 80 5.855 -10.087 -2.539 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.068 -11.502 -4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.395 -12.023 -4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.695 -10.216 -5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.953 -9.155 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.424 -9.767 -6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.026 -11.468 -6.241 1.00 0.00 H new ATOM 0 HE ARG A 80 5.796 -10.430 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.276 -10.262 -8.103 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.076 -10.120 -9.853 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.555 -10.244 -9.737 1.00 0.00 H new ATOM 0 HH22 ARG A 80 6.980 -10.110 -10.773 1.00 0.00 H new ATOM 1019 N ASP A 81 8.072 -12.233 -1.334 1.00 0.00 N ATOM 1020 CA ASP A 81 8.259 -13.302 -0.358 1.00 0.00 C ATOM 1021 C ASP A 81 8.708 -12.743 0.991 1.00 0.00 C ATOM 1022 O ASP A 81 9.349 -13.439 1.778 1.00 0.00 O ATOM 1023 CB ASP A 81 9.289 -14.311 -0.872 1.00 0.00 C ATOM 1024 CG ASP A 81 9.040 -15.710 -0.343 1.00 0.00 C ATOM 1025 OD1 ASP A 81 8.184 -16.417 -0.915 1.00 0.00 O ATOM 1026 OD2 ASP A 81 9.703 -16.101 0.641 1.00 0.00 O ATOM 0 H ASP A 81 8.920 -11.966 -1.835 1.00 0.00 H new ATOM 0 HA ASP A 81 7.301 -13.804 -0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.265 -14.328 -1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 81 10.288 -13.987 -0.580 1.00 0.00 H new ATOM 1031 N PHE A 82 8.369 -11.483 1.252 1.00 0.00 N ATOM 1032 CA PHE A 82 8.740 -10.836 2.504 1.00 0.00 C ATOM 1033 C PHE A 82 7.772 -11.214 3.619 1.00 0.00 C ATOM 1034 O PHE A 82 6.696 -11.754 3.362 1.00 0.00 O ATOM 1035 CB PHE A 82 8.757 -9.316 2.325 1.00 0.00 C ATOM 1036 CG PHE A 82 10.109 -8.760 1.979 1.00 0.00 C ATOM 1037 CD1 PHE A 82 10.960 -9.448 1.128 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.527 -7.549 2.504 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.204 -8.936 0.808 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.770 -7.033 2.188 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.609 -7.727 1.339 1.00 0.00 C ATOM 0 H PHE A 82 7.838 -10.891 0.613 1.00 0.00 H new ATOM 0 HA PHE A 82 9.737 -11.178 2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.051 -9.044 1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.407 -8.848 3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.648 -10.394 0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.875 -7.001 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.858 -9.481 0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.085 -6.088 2.605 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.580 -7.325 1.091 1.00 0.00 H new ATOM 1051 N ASP A 83 8.159 -10.919 4.853 1.00 0.00 N ATOM 1052 CA ASP A 83 7.323 -11.219 6.007 1.00 0.00 C ATOM 1053 C ASP A 83 6.698 -9.945 6.560 1.00 0.00 C ATOM 1054 O ASP A 83 7.170 -8.843 6.283 1.00 0.00 O ATOM 1055 CB ASP A 83 8.145 -11.914 7.095 1.00 0.00 C ATOM 1056 CG ASP A 83 7.276 -12.512 8.183 1.00 0.00 C ATOM 1057 OD1 ASP A 83 6.848 -13.675 8.029 1.00 0.00 O ATOM 1058 OD2 ASP A 83 7.024 -11.818 9.190 1.00 0.00 O ATOM 0 H ASP A 83 9.047 -10.472 5.080 1.00 0.00 H new ATOM 0 HA ASP A 83 6.525 -11.889 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.749 -12.701 6.643 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.836 -11.197 7.539 1.00 0.00 H new ATOM 1063 N CYS A 84 5.635 -10.098 7.343 1.00 0.00 N ATOM 1064 CA CYS A 84 4.950 -8.954 7.931 1.00 0.00 C ATOM 1065 C CYS A 84 5.940 -8.047 8.651 1.00 0.00 C ATOM 1066 O CYS A 84 5.866 -6.824 8.548 1.00 0.00 O ATOM 1067 CB CYS A 84 3.867 -9.423 8.903 1.00 0.00 C ATOM 1068 SG CYS A 84 2.467 -8.289 9.051 1.00 0.00 S ATOM 0 H CYS A 84 5.230 -11.002 7.584 1.00 0.00 H new ATOM 0 HA CYS A 84 4.480 -8.388 7.127 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.500 -10.397 8.579 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.313 -9.563 9.888 1.00 0.00 H new ATOM 0 HG CYS A 84 1.603 -8.773 9.893 1.00 0.00 H new ATOM 1074 N CYS A 85 6.868 -8.656 9.380 1.00 0.00 N ATOM 1075 CA CYS A 85 7.873 -7.909 10.115 1.00 0.00 C ATOM 1076 C CYS A 85 8.764 -7.105 9.171 1.00 0.00 C ATOM 1077 O CYS A 85 9.376 -6.117 9.573 1.00 0.00 O ATOM 1078 CB CYS A 85 8.727 -8.856 10.960 1.00 0.00 C ATOM 1079 SG CYS A 85 7.946 -9.368 12.509 1.00 0.00 S ATOM 0 H CYS A 85 6.942 -9.669 9.476 1.00 0.00 H new ATOM 0 HA CYS A 85 7.356 -7.211 10.773 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.958 -9.744 10.371 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.675 -8.369 11.187 1.00 0.00 H new ATOM 0 HG CYS A 85 8.743 -10.169 13.153 1.00 0.00 H new ATOM 1085 N LEU A 86 8.834 -7.535 7.913 1.00 0.00 N ATOM 1086 CA LEU A 86 9.652 -6.853 6.915 1.00 0.00 C ATOM 1087 C LEU A 86 8.827 -5.823 6.148 1.00 0.00 C ATOM 1088 O LEU A 86 9.336 -4.774 5.744 1.00 0.00 O ATOM 1089 CB LEU A 86 10.253 -7.869 5.939 1.00 0.00 C ATOM 1090 CG LEU A 86 11.550 -8.531 6.411 1.00 0.00 C ATOM 1091 CD1 LEU A 86 11.259 -9.573 7.480 1.00 0.00 C ATOM 1092 CD2 LEU A 86 12.283 -9.161 5.237 1.00 0.00 C ATOM 0 H LEU A 86 8.334 -8.352 7.562 1.00 0.00 H new ATOM 0 HA LEU A 86 10.458 -6.334 7.434 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.514 -8.647 5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.443 -7.369 4.989 1.00 0.00 H new ATOM 0 HG LEU A 86 12.191 -7.763 6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.193 -10.033 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.776 -9.095 8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.600 -10.339 7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.203 -9.627 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.648 -9.916 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.525 -8.392 4.504 1.00 0.00 H new ATOM 1104 N VAL A 87 7.548 -6.126 5.959 1.00 0.00 N ATOM 1105 CA VAL A 87 6.649 -5.233 5.247 1.00 0.00 C ATOM 1106 C VAL A 87 6.215 -4.073 6.135 1.00 0.00 C ATOM 1107 O VAL A 87 6.054 -2.947 5.665 1.00 0.00 O ATOM 1108 CB VAL A 87 5.406 -5.986 4.732 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.479 -5.048 3.970 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.826 -7.157 3.858 1.00 0.00 C ATOM 0 H VAL A 87 7.112 -6.986 6.291 1.00 0.00 H new ATOM 0 HA VAL A 87 7.196 -4.837 4.391 1.00 0.00 H new ATOM 0 HB VAL A 87 4.857 -6.373 5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.610 -5.603 3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.153 -4.244 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.010 -4.625 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.939 -7.681 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.398 -6.789 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.442 -7.842 4.440 1.00 0.00 H new ATOM 1120 N VAL A 88 6.030 -4.347 7.424 1.00 0.00 N ATOM 1121 CA VAL A 88 5.620 -3.311 8.364 1.00 0.00 C ATOM 1122 C VAL A 88 6.583 -2.122 8.314 1.00 0.00 C ATOM 1123 O VAL A 88 6.157 -0.980 8.136 1.00 0.00 O ATOM 1124 CB VAL A 88 5.535 -3.851 9.808 1.00 0.00 C ATOM 1125 CG1 VAL A 88 5.243 -2.728 10.793 1.00 0.00 C ATOM 1126 CG2 VAL A 88 4.477 -4.941 9.906 1.00 0.00 C ATOM 0 H VAL A 88 6.157 -5.271 7.838 1.00 0.00 H new ATOM 0 HA VAL A 88 4.625 -2.981 8.064 1.00 0.00 H new ATOM 0 HB VAL A 88 6.502 -4.283 10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.188 -3.135 11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.039 -1.985 10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.293 -2.259 10.539 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.430 -5.311 10.930 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.507 -4.533 9.622 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.736 -5.761 9.236 1.00 0.00 H new ATOM 1136 N PRO A 89 7.900 -2.371 8.455 1.00 0.00 N ATOM 1137 CA PRO A 89 8.905 -1.308 8.407 1.00 0.00 C ATOM 1138 C PRO A 89 9.030 -0.710 7.010 1.00 0.00 C ATOM 1139 O PRO A 89 9.061 0.510 6.847 1.00 0.00 O ATOM 1140 CB PRO A 89 10.201 -2.017 8.805 1.00 0.00 C ATOM 1141 CG PRO A 89 9.976 -3.443 8.444 1.00 0.00 C ATOM 1142 CD PRO A 89 8.510 -3.698 8.664 1.00 0.00 C ATOM 0 HA PRO A 89 8.651 -0.473 9.060 1.00 0.00 H new ATOM 0 HB2 PRO A 89 11.058 -1.604 8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 89 10.403 -1.905 9.870 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.254 -3.632 7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.584 -4.103 9.062 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.120 -4.435 7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.314 -4.078 9.667 1.00 0.00 H new ATOM 1150 N LEU A 90 9.095 -1.577 6.000 1.00 0.00 N ATOM 1151 CA LEU A 90 9.209 -1.126 4.619 1.00 0.00 C ATOM 1152 C LEU A 90 8.071 -0.173 4.270 1.00 0.00 C ATOM 1153 O LEU A 90 8.238 0.745 3.466 1.00 0.00 O ATOM 1154 CB LEU A 90 9.202 -2.322 3.666 1.00 0.00 C ATOM 1155 CG LEU A 90 10.477 -3.165 3.674 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.197 -4.564 3.146 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.566 -2.490 2.852 1.00 0.00 C ATOM 0 H LEU A 90 9.071 -2.590 6.114 1.00 0.00 H new ATOM 0 HA LEU A 90 10.154 -0.594 4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.359 -2.964 3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.032 -1.958 2.653 1.00 0.00 H new ATOM 0 HG LEU A 90 10.826 -3.252 4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.117 -5.149 3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.450 -5.048 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.823 -4.499 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.467 -3.103 2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.225 -2.373 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.787 -1.510 3.275 1.00 0.00 H new ATOM 1169 N ILE A 91 6.916 -0.398 4.885 1.00 0.00 N ATOM 1170 CA ILE A 91 5.742 0.435 4.653 1.00 0.00 C ATOM 1171 C ILE A 91 5.888 1.780 5.364 1.00 0.00 C ATOM 1172 O ILE A 91 5.595 2.830 4.791 1.00 0.00 O ATOM 1173 CB ILE A 91 4.454 -0.290 5.125 1.00 0.00 C ATOM 1174 CG1 ILE A 91 4.103 -1.412 4.147 1.00 0.00 C ATOM 1175 CG2 ILE A 91 3.274 0.670 5.267 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.980 -2.306 4.628 1.00 0.00 C ATOM 0 H ILE A 91 6.767 -1.155 5.552 1.00 0.00 H new ATOM 0 HA ILE A 91 5.661 0.618 3.582 1.00 0.00 H new ATOM 0 HB ILE A 91 4.653 -0.710 6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.822 -0.973 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.990 -2.020 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.394 0.119 5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.518 1.440 5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.067 1.137 4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.786 -3.078 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.265 -2.774 5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.079 -1.711 4.777 1.00 0.00 H new ATOM 1188 N ALA A 92 6.337 1.739 6.615 1.00 0.00 N ATOM 1189 CA ALA A 92 6.515 2.948 7.402 1.00 0.00 C ATOM 1190 C ALA A 92 7.794 3.694 7.022 1.00 0.00 C ATOM 1191 O ALA A 92 8.069 4.772 7.549 1.00 0.00 O ATOM 1192 CB ALA A 92 6.524 2.611 8.885 1.00 0.00 C ATOM 0 H ALA A 92 6.584 0.878 7.103 1.00 0.00 H new ATOM 0 HA ALA A 92 5.675 3.608 7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.658 3.524 9.465 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.578 2.144 9.158 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.343 1.923 9.097 1.00 0.00 H new ATOM 1198 N GLU A 93 8.579 3.117 6.114 1.00 0.00 N ATOM 1199 CA GLU A 93 9.828 3.737 5.684 1.00 0.00 C ATOM 1200 C GLU A 93 9.600 4.750 4.565 1.00 0.00 C ATOM 1201 O GLU A 93 10.469 5.571 4.273 1.00 0.00 O ATOM 1202 CB GLU A 93 10.820 2.667 5.226 1.00 0.00 C ATOM 1203 CG GLU A 93 11.817 2.263 6.300 1.00 0.00 C ATOM 1204 CD GLU A 93 12.886 1.323 5.781 1.00 0.00 C ATOM 1205 OE1 GLU A 93 12.610 0.109 5.677 1.00 0.00 O ATOM 1206 OE2 GLU A 93 13.999 1.800 5.476 1.00 0.00 O ATOM 0 H GLU A 93 8.372 2.225 5.664 1.00 0.00 H new ATOM 0 HA GLU A 93 10.241 4.271 6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.267 1.784 4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.364 3.036 4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.291 3.157 6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.285 1.784 7.122 1.00 0.00 H new ATOM 1213 N SER A 94 8.431 4.687 3.941 1.00 0.00 N ATOM 1214 CA SER A 94 8.098 5.600 2.853 1.00 0.00 C ATOM 1215 C SER A 94 8.010 7.038 3.346 1.00 0.00 C ATOM 1216 O SER A 94 8.192 7.984 2.578 1.00 0.00 O ATOM 1217 CB SER A 94 6.775 5.193 2.204 1.00 0.00 C ATOM 1218 OG SER A 94 6.986 4.272 1.146 1.00 0.00 O ATOM 0 H SER A 94 7.698 4.015 4.168 1.00 0.00 H new ATOM 0 HA SER A 94 8.896 5.540 2.113 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.121 4.747 2.953 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.266 6.078 1.823 1.00 0.00 H new ATOM 0 HG SER A 94 7.416 4.730 0.394 1.00 0.00 H new ATOM 1224 N GLY A 95 7.727 7.191 4.628 1.00 0.00 N ATOM 1225 CA GLY A 95 7.614 8.515 5.214 1.00 0.00 C ATOM 1226 C GLY A 95 6.204 9.066 5.117 1.00 0.00 C ATOM 1227 O GLY A 95 5.563 9.332 6.133 1.00 0.00 O ATOM 0 H GLY A 95 7.572 6.421 5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.915 8.474 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.303 9.193 4.711 1.00 0.00 H new ATOM 1231 N ASN A 96 5.722 9.233 3.890 1.00 0.00 N ATOM 1232 CA ASN A 96 4.376 9.754 3.664 1.00 0.00 C ATOM 1233 C ASN A 96 3.892 9.475 2.238 1.00 0.00 C ATOM 1234 O ASN A 96 2.923 10.076 1.779 1.00 0.00 O ATOM 1235 CB ASN A 96 4.339 11.259 3.936 1.00 0.00 C ATOM 1236 CG ASN A 96 5.415 12.012 3.179 1.00 0.00 C ATOM 1237 OD1 ASN A 96 5.832 11.598 2.098 1.00 0.00 O ATOM 1238 ND2 ASN A 96 5.870 13.124 3.744 1.00 0.00 N ATOM 0 H ASN A 96 6.240 9.016 3.039 1.00 0.00 H new ATOM 0 HA ASN A 96 3.706 9.241 4.354 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.361 11.651 3.657 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.460 11.435 5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.594 13.672 3.280 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.495 13.430 4.642 1.00 0.00 H new ATOM 1245 N LYS A 97 4.555 8.548 1.551 1.00 0.00 N ATOM 1246 CA LYS A 97 4.181 8.185 0.189 1.00 0.00 C ATOM 1247 C LYS A 97 4.682 6.784 -0.135 1.00 0.00 C ATOM 1248 O LYS A 97 5.878 6.573 -0.334 1.00 0.00 O ATOM 1249 CB LYS A 97 4.754 9.196 -0.809 1.00 0.00 C ATOM 1250 CG LYS A 97 3.690 9.977 -1.562 1.00 0.00 C ATOM 1251 CD LYS A 97 4.290 10.764 -2.716 1.00 0.00 C ATOM 1252 CE LYS A 97 4.712 9.850 -3.855 1.00 0.00 C ATOM 1253 NZ LYS A 97 3.704 9.824 -4.950 1.00 0.00 N ATOM 0 H LYS A 97 5.356 8.034 1.918 1.00 0.00 H new ATOM 0 HA LYS A 97 3.094 8.198 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.397 9.896 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.382 8.669 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.934 9.290 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.185 10.659 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.562 11.489 -3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.153 11.329 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.671 10.184 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.860 8.840 -3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.632 8.860 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.779 10.119 -4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.996 10.475 -5.706 1.00 0.00 H new ATOM 1267 N LEU A 98 3.765 5.821 -0.168 1.00 0.00 N ATOM 1268 CA LEU A 98 4.132 4.438 -0.445 1.00 0.00 C ATOM 1269 C LEU A 98 3.694 3.990 -1.836 1.00 0.00 C ATOM 1270 O LEU A 98 2.512 3.752 -2.080 1.00 0.00 O ATOM 1271 CB LEU A 98 3.525 3.504 0.607 1.00 0.00 C ATOM 1272 CG LEU A 98 4.539 2.685 1.407 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.824 1.720 2.339 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.480 1.934 0.473 1.00 0.00 C ATOM 0 H LEU A 98 2.769 5.972 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 98 5.220 4.385 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.933 4.100 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.839 2.819 0.110 1.00 0.00 H new ATOM 0 HG LEU A 98 5.135 3.369 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.560 1.145 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.196 2.281 3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.203 1.042 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.194 1.358 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.903 1.260 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.018 2.647 -0.152 1.00 0.00 H new ATOM 1286 N ASP A 99 4.663 3.844 -2.730 1.00 0.00 N ATOM 1287 CA ASP A 99 4.393 3.382 -4.083 1.00 0.00 C ATOM 1288 C ASP A 99 4.826 1.926 -4.198 1.00 0.00 C ATOM 1289 O ASP A 99 5.999 1.606 -4.003 1.00 0.00 O ATOM 1290 CB ASP A 99 5.136 4.243 -5.107 1.00 0.00 C ATOM 1291 CG ASP A 99 4.226 4.749 -6.208 1.00 0.00 C ATOM 1292 OD1 ASP A 99 3.612 3.911 -6.901 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.127 5.983 -6.377 1.00 0.00 O ATOM 0 H ASP A 99 5.646 4.040 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 99 3.326 3.466 -4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.594 5.092 -4.599 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.945 3.661 -5.548 1.00 0.00 H new ATOM 1298 N LEU A 100 3.880 1.038 -4.478 1.00 0.00 N ATOM 1299 CA LEU A 100 4.196 -0.382 -4.569 1.00 0.00 C ATOM 1300 C LEU A 100 3.280 -1.119 -5.538 1.00 0.00 C ATOM 1301 O LEU A 100 2.150 -0.703 -5.790 1.00 0.00 O ATOM 1302 CB LEU A 100 4.086 -1.019 -3.182 1.00 0.00 C ATOM 1303 CG LEU A 100 2.881 -0.563 -2.356 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.670 -1.430 -2.657 1.00 0.00 C ATOM 1305 CD2 LEU A 100 3.211 -0.599 -0.871 1.00 0.00 C ATOM 0 H LEU A 100 2.901 1.271 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 100 5.214 -0.467 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.039 -2.102 -3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.995 -0.797 -2.624 1.00 0.00 H new ATOM 0 HG LEU A 100 2.642 0.465 -2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.823 -1.091 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.422 -1.354 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.895 -2.468 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.344 -0.272 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.475 -1.616 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.051 0.065 -0.669 1.00 0.00 H new ATOM 1317 N VAL A 101 3.778 -2.241 -6.054 1.00 0.00 N ATOM 1318 CA VAL A 101 3.013 -3.073 -6.972 1.00 0.00 C ATOM 1319 C VAL A 101 2.533 -4.324 -6.249 1.00 0.00 C ATOM 1320 O VAL A 101 3.326 -5.202 -5.912 1.00 0.00 O ATOM 1321 CB VAL A 101 3.852 -3.487 -8.198 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.974 -4.157 -9.243 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.574 -2.283 -8.787 1.00 0.00 C ATOM 0 H VAL A 101 4.713 -2.594 -5.849 1.00 0.00 H new ATOM 0 HA VAL A 101 2.162 -2.488 -7.322 1.00 0.00 H new ATOM 0 HB VAL A 101 4.604 -4.206 -7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.583 -4.442 -10.101 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.512 -5.046 -8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.197 -3.463 -9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.160 -2.597 -9.651 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.843 -1.536 -9.097 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.237 -1.853 -8.036 1.00 0.00 H new ATOM 1333 N ILE A 102 1.232 -4.391 -6.001 1.00 0.00 N ATOM 1334 CA ILE A 102 0.647 -5.527 -5.299 1.00 0.00 C ATOM 1335 C ILE A 102 -0.017 -6.493 -6.272 1.00 0.00 C ATOM 1336 O ILE A 102 -0.197 -6.181 -7.447 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.403 -5.064 -4.268 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.494 -4.245 -4.961 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.254 -4.252 -3.154 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.531 -5.091 -5.667 1.00 0.00 C ATOM 0 H ILE A 102 0.561 -3.673 -6.275 1.00 0.00 H new ATOM 0 HA ILE A 102 1.462 -6.035 -4.784 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.860 -5.945 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.991 -3.618 -4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.029 -3.576 -5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.505 -3.936 -2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.998 -4.866 -2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.738 -3.374 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.272 -4.443 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.046 -5.699 -6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.023 -5.742 -4.944 1.00 0.00 H new ATOM 1352 N SER A 103 -0.389 -7.663 -5.767 1.00 0.00 N ATOM 1353 CA SER A 103 -1.044 -8.678 -6.582 1.00 0.00 C ATOM 1354 C SER A 103 -2.239 -9.272 -5.842 1.00 0.00 C ATOM 1355 O SER A 103 -2.076 -10.099 -4.944 1.00 0.00 O ATOM 1356 CB SER A 103 -0.051 -9.781 -6.957 1.00 0.00 C ATOM 1357 OG SER A 103 0.065 -9.905 -8.363 1.00 0.00 O ATOM 0 H SER A 103 -0.247 -7.933 -4.794 1.00 0.00 H new ATOM 0 HA SER A 103 -1.404 -8.205 -7.496 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.925 -9.558 -6.527 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.378 -10.729 -6.531 1.00 0.00 H new ATOM 0 HG SER A 103 0.706 -10.615 -8.577 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.440 -8.841 -6.221 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.659 -9.330 -5.585 1.00 0.00 C ATOM 1365 C ARG A 104 -5.475 -10.188 -6.549 1.00 0.00 C ATOM 1366 O ARG A 104 -5.831 -9.745 -7.641 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.511 -8.159 -5.092 1.00 0.00 C ATOM 1368 CG ARG A 104 -5.913 -7.191 -6.193 1.00 0.00 C ATOM 1369 CD ARG A 104 -7.423 -7.026 -6.272 1.00 0.00 C ATOM 1370 NE ARG A 104 -7.805 -5.687 -6.709 1.00 0.00 N ATOM 1371 CZ ARG A 104 -7.563 -4.579 -6.010 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -6.941 -4.649 -4.841 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -7.943 -3.400 -6.483 1.00 0.00 N ATOM 0 H ARG A 104 -3.594 -8.157 -6.962 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.367 -9.945 -4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.411 -8.550 -4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.958 -7.615 -4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.450 -6.221 -6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.535 -7.551 -7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.833 -7.763 -6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.861 -7.227 -5.294 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.286 -5.594 -7.603 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.646 -5.554 -4.474 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.758 -3.798 -4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.421 -3.341 -7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.758 -2.552 -5.948 1.00 0.00 H new ATOM 1387 N ASN A 105 -5.769 -11.415 -6.135 1.00 0.00 N ATOM 1388 CA ASN A 105 -6.547 -12.333 -6.960 1.00 0.00 C ATOM 1389 C ASN A 105 -8.015 -11.915 -6.994 1.00 0.00 C ATOM 1390 O ASN A 105 -8.535 -11.363 -6.025 1.00 0.00 O ATOM 1391 CB ASN A 105 -6.422 -13.762 -6.431 1.00 0.00 C ATOM 1392 CG ASN A 105 -6.698 -13.854 -4.944 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -5.782 -14.034 -4.141 1.00 0.00 O ATOM 1394 ND2 ASN A 105 -7.965 -13.732 -4.569 1.00 0.00 N ATOM 0 H ASN A 105 -5.481 -11.797 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.151 -12.297 -7.975 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.118 -14.407 -6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.419 -14.136 -6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.212 -13.786 -3.581 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -8.692 -13.584 -5.269 1.00 0.00 H new ATOM 1401 N PRO A 106 -8.705 -12.174 -8.120 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.114 -11.823 -8.278 1.00 0.00 C ATOM 1403 C PRO A 106 -11.045 -12.868 -7.673 1.00 0.00 C ATOM 1404 O PRO A 106 -12.123 -13.106 -8.256 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.278 -11.770 -9.794 1.00 0.00 C ATOM 1406 CG PRO A 106 -9.305 -12.774 -10.313 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.163 -12.828 -9.326 1.00 0.00 C ATOM 1408 OXT PRO A 106 -10.687 -13.439 -6.622 1.00 0.00 O ATOM 0 HA PRO A 106 -10.371 -10.894 -7.769 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.298 -12.016 -10.091 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.064 -10.774 -10.181 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.776 -13.752 -10.413 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -8.947 -12.490 -11.303 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.860 -13.855 -9.122 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.284 -12.305 -9.703 1.00 0.00 H new TER 1416 PRO A 106