USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 633 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ -117:sc= -0.542 (180deg=-5.29!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.942 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 16 THR OG1 : rot -61:sc= 0.89 USER MOD Single : A 17 SER OG : rot -67:sc= 0.618 USER MOD Single : A 19 THR OG1 : rot -166:sc= 0.64 USER MOD Single : A 22 ASN : amide:sc= -0.0384 X(o=-0.038,f=-0.084) USER MOD Single : A 23 THR OG1 : rot 163:sc= 1.04 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -70:sc= 1.06 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.92 F(o=-2.7,f=-0.92) USER MOD Single : A 41 MET CE :methyl -158:sc= 0 (180deg=-0.381) USER MOD Single : A 46 TYR OH : rot 80:sc= 0.599 USER MOD Single : A 47 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.32) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0233) USER MOD Single : A 50 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= 0.0799 (180deg=0.0602) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 62 MET CE :methyl -116:sc= -0.915 (180deg=-7.76!) USER MOD Single : A 67 THR OG1 : rot 55:sc= 0.339 USER MOD Single : A 69 HIS : no HE2:sc= -4.29! C(o=-4.3!,f=-6.4!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.364 0.001 0.261 1.00 51.14 N ATOM 2 CA MET A 1 2.154 -0.017 -0.965 1.00 2.31 C ATOM 3 C MET A 1 1.522 -0.934 -2.006 1.00 72.44 C ATOM 4 O MET A 1 1.056 -0.477 -3.051 1.00 2.31 O ATOM 5 CB MET A 1 3.584 -0.472 -0.668 1.00 44.12 C ATOM 6 CG MET A 1 4.602 0.022 -1.684 1.00 22.25 C ATOM 7 SD MET A 1 6.220 0.331 -0.951 1.00 3.43 S ATOM 8 CE MET A 1 7.174 0.761 -2.405 1.00 30.42 C ATOM 0 H1 MET A 1 1.001 0.961 0.426 1.00 51.14 H new ATOM 0 H2 MET A 1 0.566 -0.660 0.170 1.00 51.14 H new ATOM 0 H3 MET A 1 1.961 -0.286 1.063 1.00 51.14 H new ATOM 0 HA MET A 1 2.178 0.996 -1.367 1.00 2.31 H new ATOM 0 HB2 MET A 1 3.871 -0.119 0.323 1.00 44.12 H new ATOM 0 HB3 MET A 1 3.611 -1.561 -0.638 1.00 44.12 H new ATOM 0 HG2 MET A 1 4.703 -0.716 -2.480 1.00 22.25 H new ATOM 0 HG3 MET A 1 4.235 0.939 -2.144 1.00 22.25 H new ATOM 0 HE1 MET A 1 8.201 0.980 -2.114 1.00 30.42 H new ATOM 0 HE2 MET A 1 7.165 -0.074 -3.106 1.00 30.42 H new ATOM 0 HE3 MET A 1 6.736 1.639 -2.881 1.00 30.42 H new ATOM 18 N LEU A 2 1.508 -2.231 -1.716 1.00 5.40 N ATOM 19 CA LEU A 2 0.933 -3.213 -2.628 1.00 20.10 C ATOM 20 C LEU A 2 -0.398 -3.735 -2.097 1.00 31.13 C ATOM 21 O LEU A 2 -0.480 -4.223 -0.969 1.00 13.13 O ATOM 22 CB LEU A 2 1.904 -4.377 -2.835 1.00 3.45 C ATOM 23 CG LEU A 2 1.341 -5.600 -3.558 1.00 65.41 C ATOM 24 CD1 LEU A 2 2.366 -6.164 -4.531 1.00 1.35 C ATOM 25 CD2 LEU A 2 0.914 -6.663 -2.556 1.00 3.12 C ATOM 0 H LEU A 2 1.888 -2.626 -0.856 1.00 5.40 H new ATOM 0 HA LEU A 2 0.755 -2.722 -3.585 1.00 20.10 H new ATOM 0 HB2 LEU A 2 2.763 -4.011 -3.397 1.00 3.45 H new ATOM 0 HB3 LEU A 2 2.273 -4.694 -1.860 1.00 3.45 H new ATOM 0 HG LEU A 2 0.463 -5.290 -4.125 1.00 65.41 H new ATOM 0 HD11 LEU A 2 1.947 -7.034 -5.037 1.00 1.35 H new ATOM 0 HD12 LEU A 2 2.623 -5.404 -5.269 1.00 1.35 H new ATOM 0 HD13 LEU A 2 3.263 -6.458 -3.985 1.00 1.35 H new ATOM 0 HD21 LEU A 2 0.516 -7.526 -3.089 1.00 3.12 H new ATOM 0 HD22 LEU A 2 1.775 -6.969 -1.961 1.00 3.12 H new ATOM 0 HD23 LEU A 2 0.145 -6.256 -1.899 1.00 3.12 H new ATOM 37 N LEU A 3 -1.438 -3.631 -2.917 1.00 21.41 N ATOM 38 CA LEU A 3 -2.766 -4.095 -2.531 1.00 31.31 C ATOM 39 C LEU A 3 -3.457 -4.798 -3.695 1.00 71.00 C ATOM 40 O LEU A 3 -3.240 -4.457 -4.858 1.00 12.51 O ATOM 41 CB LEU A 3 -3.619 -2.920 -2.051 1.00 50.42 C ATOM 42 CG LEU A 3 -4.247 -2.056 -3.145 1.00 54.22 C ATOM 43 CD1 LEU A 3 -5.208 -1.043 -2.540 1.00 64.34 C ATOM 44 CD2 LEU A 3 -3.168 -1.352 -3.955 1.00 71.31 C ATOM 0 H LEU A 3 -1.387 -3.230 -3.853 1.00 21.41 H new ATOM 0 HA LEU A 3 -2.651 -4.809 -1.716 1.00 31.31 H new ATOM 0 HB2 LEU A 3 -4.418 -3.311 -1.421 1.00 50.42 H new ATOM 0 HB3 LEU A 3 -3.000 -2.281 -1.421 1.00 50.42 H new ATOM 0 HG LEU A 3 -4.810 -2.706 -3.815 1.00 54.22 H new ATOM 0 HD11 LEU A 3 -5.645 -0.437 -3.334 1.00 64.34 H new ATOM 0 HD12 LEU A 3 -6.000 -1.567 -2.005 1.00 64.34 H new ATOM 0 HD13 LEU A 3 -4.668 -0.398 -1.847 1.00 64.34 H new ATOM 0 HD21 LEU A 3 -3.634 -0.742 -4.729 1.00 71.31 H new ATOM 0 HD22 LEU A 3 -2.577 -0.715 -3.297 1.00 71.31 H new ATOM 0 HD23 LEU A 3 -2.519 -2.094 -4.420 1.00 71.31 H new ATOM 56 N LYS A 4 -4.292 -5.781 -3.375 1.00 11.44 N ATOM 57 CA LYS A 4 -5.019 -6.530 -4.392 1.00 61.25 C ATOM 58 C LYS A 4 -6.511 -6.216 -4.338 1.00 45.34 C ATOM 59 O LYS A 4 -7.196 -6.572 -3.380 1.00 1.32 O ATOM 60 CB LYS A 4 -4.797 -8.033 -4.205 1.00 4.42 C ATOM 61 CG LYS A 4 -5.746 -8.894 -5.019 1.00 60.40 C ATOM 62 CD LYS A 4 -5.473 -10.375 -4.810 1.00 55.44 C ATOM 63 CE LYS A 4 -4.232 -10.825 -5.565 1.00 1.40 C ATOM 64 NZ LYS A 4 -4.150 -12.308 -5.664 1.00 32.22 N ATOM 0 H LYS A 4 -4.482 -6.077 -2.418 1.00 11.44 H new ATOM 0 HA LYS A 4 -4.638 -6.231 -5.368 1.00 61.25 H new ATOM 0 HB2 LYS A 4 -3.771 -8.277 -4.481 1.00 4.42 H new ATOM 0 HB3 LYS A 4 -4.911 -8.280 -3.149 1.00 4.42 H new ATOM 0 HG2 LYS A 4 -6.775 -8.669 -4.738 1.00 60.40 H new ATOM 0 HG3 LYS A 4 -5.644 -8.650 -6.076 1.00 60.40 H new ATOM 0 HD2 LYS A 4 -5.346 -10.576 -3.746 1.00 55.44 H new ATOM 0 HD3 LYS A 4 -6.333 -10.955 -5.143 1.00 55.44 H new ATOM 0 HE2 LYS A 4 -4.240 -10.394 -6.566 1.00 1.40 H new ATOM 0 HE3 LYS A 4 -3.343 -10.445 -5.062 1.00 1.40 H new ATOM 0 HZ1 LYS A 4 -3.290 -12.574 -6.185 1.00 32.22 H new ATOM 0 HZ2 LYS A 4 -4.117 -12.718 -4.709 1.00 32.22 H new ATOM 0 HZ3 LYS A 4 -4.986 -12.669 -6.167 1.00 32.22 H new ATOM 78 N VAL A 5 -7.008 -5.547 -5.374 1.00 62.54 N ATOM 79 CA VAL A 5 -8.419 -5.188 -5.446 1.00 2.51 C ATOM 80 C VAL A 5 -9.158 -6.058 -6.456 1.00 64.21 C ATOM 81 O VAL A 5 -8.744 -6.178 -7.610 1.00 10.24 O ATOM 82 CB VAL A 5 -8.602 -3.707 -5.830 1.00 23.12 C ATOM 83 CG1 VAL A 5 -8.058 -2.801 -4.736 1.00 43.43 C ATOM 84 CG2 VAL A 5 -7.926 -3.415 -7.161 1.00 70.11 C ATOM 0 H VAL A 5 -6.454 -5.243 -6.175 1.00 62.54 H new ATOM 0 HA VAL A 5 -8.838 -5.354 -4.454 1.00 2.51 H new ATOM 0 HB VAL A 5 -9.668 -3.506 -5.938 1.00 23.12 H new ATOM 0 HG11 VAL A 5 -8.196 -1.759 -5.025 1.00 43.43 H new ATOM 0 HG12 VAL A 5 -8.592 -2.993 -3.805 1.00 43.43 H new ATOM 0 HG13 VAL A 5 -6.996 -3.000 -4.593 1.00 43.43 H new ATOM 0 HG21 VAL A 5 -8.065 -2.365 -7.417 1.00 70.11 H new ATOM 0 HG22 VAL A 5 -6.861 -3.632 -7.083 1.00 70.11 H new ATOM 0 HG23 VAL A 5 -8.367 -4.039 -7.938 1.00 70.11 H new ATOM 94 N LYS A 6 -10.254 -6.665 -6.015 1.00 54.05 N ATOM 95 CA LYS A 6 -11.054 -7.524 -6.881 1.00 30.25 C ATOM 96 C LYS A 6 -12.530 -7.146 -6.809 1.00 30.33 C ATOM 97 O LYS A 6 -13.114 -7.082 -5.726 1.00 44.22 O ATOM 98 CB LYS A 6 -10.872 -8.991 -6.485 1.00 75.51 C ATOM 99 CG LYS A 6 -11.263 -9.287 -5.047 1.00 43.42 C ATOM 100 CD LYS A 6 -10.567 -10.532 -4.525 1.00 61.41 C ATOM 101 CE LYS A 6 -11.171 -10.998 -3.209 1.00 71.33 C ATOM 102 NZ LYS A 6 -10.651 -12.333 -2.802 1.00 0.23 N ATOM 0 H LYS A 6 -10.609 -6.578 -5.063 1.00 54.05 H new ATOM 0 HA LYS A 6 -10.712 -7.385 -7.906 1.00 30.25 H new ATOM 0 HB2 LYS A 6 -11.469 -9.615 -7.150 1.00 75.51 H new ATOM 0 HB3 LYS A 6 -9.829 -9.272 -6.634 1.00 75.51 H new ATOM 0 HG2 LYS A 6 -11.008 -8.435 -4.417 1.00 43.42 H new ATOM 0 HG3 LYS A 6 -12.343 -9.419 -4.982 1.00 43.42 H new ATOM 0 HD2 LYS A 6 -10.643 -11.330 -5.264 1.00 61.41 H new ATOM 0 HD3 LYS A 6 -9.506 -10.326 -4.387 1.00 61.41 H new ATOM 0 HE2 LYS A 6 -10.950 -10.269 -2.429 1.00 71.33 H new ATOM 0 HE3 LYS A 6 -12.256 -11.044 -3.303 1.00 71.33 H new ATOM 0 HZ1 LYS A 6 -11.087 -12.615 -1.901 1.00 0.23 H new ATOM 0 HZ2 LYS A 6 -10.884 -13.034 -3.534 1.00 0.23 H new ATOM 0 HZ3 LYS A 6 -9.619 -12.283 -2.687 1.00 0.23 H new ATOM 116 N THR A 7 -13.130 -6.898 -7.969 1.00 30.31 N ATOM 117 CA THR A 7 -14.538 -6.527 -8.037 1.00 62.45 C ATOM 118 C THR A 7 -15.425 -7.760 -8.170 1.00 13.32 C ATOM 119 O THR A 7 -14.934 -8.877 -8.328 1.00 24.24 O ATOM 120 CB THR A 7 -14.812 -5.581 -9.222 1.00 34.34 C ATOM 121 OG1 THR A 7 -16.170 -5.129 -9.182 1.00 55.15 O ATOM 122 CG2 THR A 7 -14.543 -6.280 -10.546 1.00 13.20 C ATOM 0 H THR A 7 -12.663 -6.947 -8.874 1.00 30.31 H new ATOM 0 HA THR A 7 -14.775 -6.011 -7.107 1.00 62.45 H new ATOM 0 HB THR A 7 -14.142 -4.726 -9.139 1.00 34.34 H new ATOM 0 HG1 THR A 7 -16.337 -4.527 -9.937 1.00 55.15 H new ATOM 0 HG21 THR A 7 -14.743 -5.592 -11.368 1.00 13.20 H new ATOM 0 HG22 THR A 7 -13.501 -6.598 -10.585 1.00 13.20 H new ATOM 0 HG23 THR A 7 -15.192 -7.151 -10.636 1.00 13.20 H new ATOM 130 N VAL A 8 -16.736 -7.549 -8.105 1.00 52.12 N ATOM 131 CA VAL A 8 -17.693 -8.643 -8.220 1.00 20.13 C ATOM 132 C VAL A 8 -17.606 -9.308 -9.589 1.00 23.33 C ATOM 133 O VAL A 8 -18.119 -10.409 -9.789 1.00 62.11 O ATOM 134 CB VAL A 8 -19.135 -8.154 -7.990 1.00 12.21 C ATOM 135 CG1 VAL A 8 -19.579 -7.245 -9.126 1.00 64.23 C ATOM 136 CG2 VAL A 8 -20.081 -9.336 -7.841 1.00 51.04 C ATOM 0 H VAL A 8 -17.159 -6.630 -7.973 1.00 52.12 H new ATOM 0 HA VAL A 8 -17.436 -9.370 -7.449 1.00 20.13 H new ATOM 0 HB VAL A 8 -19.161 -7.578 -7.065 1.00 12.21 H new ATOM 0 HG11 VAL A 8 -20.600 -6.910 -8.946 1.00 64.23 H new ATOM 0 HG12 VAL A 8 -18.917 -6.380 -9.180 1.00 64.23 H new ATOM 0 HG13 VAL A 8 -19.538 -7.793 -10.068 1.00 64.23 H new ATOM 0 HG21 VAL A 8 -21.096 -8.972 -7.679 1.00 51.04 H new ATOM 0 HG22 VAL A 8 -20.053 -9.941 -8.747 1.00 51.04 H new ATOM 0 HG23 VAL A 8 -19.773 -9.943 -6.990 1.00 51.04 H new ATOM 146 N SER A 9 -16.952 -8.633 -10.528 1.00 41.33 N ATOM 147 CA SER A 9 -16.800 -9.157 -11.881 1.00 2.34 C ATOM 148 C SER A 9 -15.629 -10.132 -11.957 1.00 32.23 C ATOM 149 O SER A 9 -15.216 -10.539 -13.042 1.00 2.05 O ATOM 150 CB SER A 9 -16.590 -8.012 -12.873 1.00 44.33 C ATOM 151 OG SER A 9 -17.501 -8.101 -13.955 1.00 44.10 O ATOM 0 H SER A 9 -16.519 -7.722 -10.377 1.00 41.33 H new ATOM 0 HA SER A 9 -17.713 -9.692 -12.142 1.00 2.34 H new ATOM 0 HB2 SER A 9 -16.718 -7.057 -12.363 1.00 44.33 H new ATOM 0 HB3 SER A 9 -15.568 -8.037 -13.251 1.00 44.33 H new ATOM 0 HG SER A 9 -17.347 -7.357 -14.574 1.00 44.10 H new ATOM 157 N ASN A 10 -15.100 -10.503 -10.795 1.00 43.04 N ATOM 158 CA ASN A 10 -13.976 -11.430 -10.729 1.00 70.31 C ATOM 159 C ASN A 10 -12.725 -10.815 -11.349 1.00 54.24 C ATOM 160 O ASN A 10 -11.851 -11.525 -11.847 1.00 34.01 O ATOM 161 CB ASN A 10 -14.324 -12.737 -11.445 1.00 25.23 C ATOM 162 CG ASN A 10 -14.097 -13.954 -10.569 1.00 22.15 C ATOM 163 OD1 ASN A 10 -14.776 -14.141 -9.558 1.00 45.35 O ATOM 164 ND2 ASN A 10 -13.138 -14.789 -10.952 1.00 73.15 N ATOM 0 H ASN A 10 -15.431 -10.176 -9.887 1.00 43.04 H new ATOM 0 HA ASN A 10 -13.773 -11.641 -9.679 1.00 70.31 H new ATOM 0 HB2 ASN A 10 -15.367 -12.709 -11.760 1.00 25.23 H new ATOM 0 HB3 ASN A 10 -13.720 -12.825 -12.348 1.00 25.23 H new ATOM 0 HD21 ASN A 10 -12.939 -15.624 -10.402 1.00 73.15 H new ATOM 0 HD22 ASN A 10 -12.600 -14.595 -11.797 1.00 73.15 H new ATOM 171 N LYS A 11 -12.646 -9.489 -11.316 1.00 13.12 N ATOM 172 CA LYS A 11 -11.503 -8.776 -11.872 1.00 43.23 C ATOM 173 C LYS A 11 -10.517 -8.387 -10.775 1.00 15.32 C ATOM 174 O LYS A 11 -10.622 -7.311 -10.185 1.00 53.04 O ATOM 175 CB LYS A 11 -11.970 -7.525 -12.620 1.00 11.23 C ATOM 176 CG LYS A 11 -12.715 -7.829 -13.908 1.00 11.21 C ATOM 177 CD LYS A 11 -13.022 -6.561 -14.687 1.00 40.11 C ATOM 178 CE LYS A 11 -14.438 -6.576 -15.241 1.00 73.24 C ATOM 179 NZ LYS A 11 -14.570 -5.716 -16.450 1.00 15.14 N ATOM 0 H LYS A 11 -13.361 -8.886 -10.909 1.00 13.12 H new ATOM 0 HA LYS A 11 -10.997 -9.442 -12.571 1.00 43.23 H new ATOM 0 HB2 LYS A 11 -12.617 -6.941 -11.965 1.00 11.23 H new ATOM 0 HB3 LYS A 11 -11.104 -6.904 -12.849 1.00 11.23 H new ATOM 0 HG2 LYS A 11 -12.118 -8.501 -14.525 1.00 11.21 H new ATOM 0 HG3 LYS A 11 -13.644 -8.350 -13.678 1.00 11.21 H new ATOM 0 HD2 LYS A 11 -12.893 -5.694 -14.039 1.00 40.11 H new ATOM 0 HD3 LYS A 11 -12.311 -6.455 -15.506 1.00 40.11 H new ATOM 0 HE2 LYS A 11 -14.719 -7.599 -15.491 1.00 73.24 H new ATOM 0 HE3 LYS A 11 -15.132 -6.233 -14.474 1.00 73.24 H new ATOM 0 HZ1 LYS A 11 -15.550 -5.753 -16.797 1.00 15.14 H new ATOM 0 HZ2 LYS A 11 -14.326 -4.735 -16.206 1.00 15.14 H new ATOM 0 HZ3 LYS A 11 -13.927 -6.059 -17.192 1.00 15.14 H new ATOM 193 N VAL A 12 -9.559 -9.268 -10.506 1.00 34.20 N ATOM 194 CA VAL A 12 -8.554 -9.015 -9.481 1.00 63.51 C ATOM 195 C VAL A 12 -7.312 -8.363 -10.078 1.00 52.25 C ATOM 196 O VAL A 12 -6.783 -8.823 -11.091 1.00 12.31 O ATOM 197 CB VAL A 12 -8.143 -10.316 -8.765 1.00 44.14 C ATOM 198 CG1 VAL A 12 -7.281 -10.008 -7.551 1.00 4.43 C ATOM 199 CG2 VAL A 12 -9.373 -11.116 -8.367 1.00 34.13 C ATOM 0 H VAL A 12 -9.458 -10.163 -10.984 1.00 34.20 H new ATOM 0 HA VAL A 12 -9.005 -8.336 -8.757 1.00 63.51 H new ATOM 0 HB VAL A 12 -7.553 -10.919 -9.455 1.00 44.14 H new ATOM 0 HG11 VAL A 12 -7.001 -10.939 -7.058 1.00 4.43 H new ATOM 0 HG12 VAL A 12 -6.382 -9.480 -7.868 1.00 4.43 H new ATOM 0 HG13 VAL A 12 -7.842 -9.384 -6.855 1.00 4.43 H new ATOM 0 HG21 VAL A 12 -9.064 -12.032 -7.863 1.00 34.13 H new ATOM 0 HG22 VAL A 12 -9.991 -10.522 -7.694 1.00 34.13 H new ATOM 0 HG23 VAL A 12 -9.947 -11.369 -9.259 1.00 34.13 H new ATOM 209 N ILE A 13 -6.852 -7.289 -9.445 1.00 71.21 N ATOM 210 CA ILE A 13 -5.671 -6.574 -9.913 1.00 75.13 C ATOM 211 C ILE A 13 -4.680 -6.347 -8.777 1.00 64.55 C ATOM 212 O ILE A 13 -4.981 -5.653 -7.807 1.00 50.13 O ATOM 213 CB ILE A 13 -6.045 -5.214 -10.532 1.00 74.33 C ATOM 214 CG1 ILE A 13 -7.073 -5.403 -11.650 1.00 31.51 C ATOM 215 CG2 ILE A 13 -4.803 -4.513 -11.061 1.00 21.32 C ATOM 216 CD1 ILE A 13 -6.592 -6.302 -12.768 1.00 2.04 C ATOM 0 H ILE A 13 -7.279 -6.895 -8.607 1.00 71.21 H new ATOM 0 HA ILE A 13 -5.207 -7.197 -10.678 1.00 75.13 H new ATOM 0 HB ILE A 13 -6.489 -4.589 -9.757 1.00 74.33 H new ATOM 0 HG12 ILE A 13 -7.986 -5.821 -11.226 1.00 31.51 H new ATOM 0 HG13 ILE A 13 -7.331 -4.428 -12.064 1.00 31.51 H new ATOM 0 HG21 ILE A 13 -5.084 -3.554 -11.495 1.00 21.32 H new ATOM 0 HG22 ILE A 13 -4.101 -4.350 -10.243 1.00 21.32 H new ATOM 0 HG23 ILE A 13 -4.333 -5.133 -11.824 1.00 21.32 H new ATOM 0 HD11 ILE A 13 -7.372 -6.391 -13.525 1.00 2.04 H new ATOM 0 HD12 ILE A 13 -5.696 -5.875 -13.218 1.00 2.04 H new ATOM 0 HD13 ILE A 13 -6.361 -7.289 -12.367 1.00 2.04 H new ATOM 228 N GLN A 14 -3.495 -6.937 -8.907 1.00 14.12 N ATOM 229 CA GLN A 14 -2.458 -6.798 -7.891 1.00 55.01 C ATOM 230 C GLN A 14 -1.394 -5.800 -8.333 1.00 44.24 C ATOM 231 O GLN A 14 -0.656 -6.047 -9.288 1.00 0.21 O ATOM 232 CB GLN A 14 -1.814 -8.155 -7.601 1.00 41.53 C ATOM 233 CG GLN A 14 -1.408 -8.915 -8.853 1.00 73.33 C ATOM 234 CD GLN A 14 -0.756 -10.248 -8.541 1.00 40.30 C ATOM 235 OE1 GLN A 14 -0.629 -10.633 -7.378 1.00 54.42 O ATOM 236 NE2 GLN A 14 -0.338 -10.960 -9.580 1.00 64.44 N ATOM 0 H GLN A 14 -3.230 -7.515 -9.705 1.00 14.12 H new ATOM 0 HA GLN A 14 -2.924 -6.423 -6.980 1.00 55.01 H new ATOM 0 HB2 GLN A 14 -0.934 -8.004 -6.976 1.00 41.53 H new ATOM 0 HB3 GLN A 14 -2.512 -8.764 -7.027 1.00 41.53 H new ATOM 0 HG2 GLN A 14 -2.288 -9.082 -9.474 1.00 73.33 H new ATOM 0 HG3 GLN A 14 -0.718 -8.305 -9.436 1.00 73.33 H new ATOM 0 HE21 GLN A 14 -0.464 -10.602 -10.527 1.00 64.44 H new ATOM 0 HE22 GLN A 14 0.109 -11.865 -9.432 1.00 64.44 H new ATOM 245 N ILE A 15 -1.320 -4.672 -7.634 1.00 24.51 N ATOM 246 CA ILE A 15 -0.344 -3.638 -7.955 1.00 13.24 C ATOM 247 C ILE A 15 0.580 -3.368 -6.772 1.00 63.52 C ATOM 248 O ILE A 15 0.207 -3.576 -5.617 1.00 52.21 O ATOM 249 CB ILE A 15 -1.033 -2.322 -8.363 1.00 61.33 C ATOM 250 CG1 ILE A 15 -2.038 -1.893 -7.292 1.00 44.11 C ATOM 251 CG2 ILE A 15 -1.722 -2.482 -9.710 1.00 52.52 C ATOM 252 CD1 ILE A 15 -3.419 -2.475 -7.492 1.00 14.03 C ATOM 0 H ILE A 15 -1.924 -4.451 -6.842 1.00 24.51 H new ATOM 0 HA ILE A 15 0.243 -4.008 -8.795 1.00 13.24 H new ATOM 0 HB ILE A 15 -0.275 -1.544 -8.454 1.00 61.33 H new ATOM 0 HG12 ILE A 15 -1.664 -2.194 -6.313 1.00 44.11 H new ATOM 0 HG13 ILE A 15 -2.108 -0.805 -7.286 1.00 44.11 H new ATOM 0 HG21 ILE A 15 -2.205 -1.544 -9.986 1.00 52.52 H new ATOM 0 HG22 ILE A 15 -0.984 -2.746 -10.467 1.00 52.52 H new ATOM 0 HG23 ILE A 15 -2.472 -3.270 -9.644 1.00 52.52 H new ATOM 0 HD11 ILE A 15 -4.079 -2.129 -6.696 1.00 14.03 H new ATOM 0 HD12 ILE A 15 -3.813 -2.153 -8.456 1.00 14.03 H new ATOM 0 HD13 ILE A 15 -3.362 -3.563 -7.468 1.00 14.03 H new ATOM 264 N THR A 16 1.790 -2.903 -7.068 1.00 21.11 N ATOM 265 CA THR A 16 2.769 -2.604 -6.030 1.00 73.21 C ATOM 266 C THR A 16 3.192 -1.140 -6.078 1.00 74.43 C ATOM 267 O THR A 16 4.379 -0.830 -6.176 1.00 72.45 O ATOM 268 CB THR A 16 4.020 -3.493 -6.165 1.00 14.13 C ATOM 269 OG1 THR A 16 4.987 -3.131 -5.173 1.00 34.14 O ATOM 270 CG2 THR A 16 4.632 -3.358 -7.550 1.00 65.15 C ATOM 0 H THR A 16 2.115 -2.725 -8.018 1.00 21.11 H new ATOM 0 HA THR A 16 2.288 -2.809 -5.074 1.00 73.21 H new ATOM 0 HB THR A 16 3.720 -4.530 -6.017 1.00 14.13 H new ATOM 0 HG1 THR A 16 5.258 -2.199 -5.305 1.00 34.14 H new ATOM 0 HG21 THR A 16 5.514 -3.995 -7.622 1.00 65.15 H new ATOM 0 HG22 THR A 16 3.903 -3.662 -8.301 1.00 65.15 H new ATOM 0 HG23 THR A 16 4.919 -2.320 -7.722 1.00 65.15 H new ATOM 278 N SER A 17 2.213 -0.244 -6.008 1.00 51.21 N ATOM 279 CA SER A 17 2.484 1.188 -6.047 1.00 1.41 C ATOM 280 C SER A 17 1.285 1.982 -5.537 1.00 41.41 C ATOM 281 O SER A 17 0.449 2.438 -6.319 1.00 5.21 O ATOM 282 CB SER A 17 2.831 1.625 -7.472 1.00 34.13 C ATOM 283 OG SER A 17 2.619 3.015 -7.645 1.00 1.42 O ATOM 0 H SER A 17 1.225 -0.484 -5.924 1.00 51.21 H new ATOM 0 HA SER A 17 3.335 1.389 -5.396 1.00 1.41 H new ATOM 0 HB2 SER A 17 3.872 1.383 -7.686 1.00 34.13 H new ATOM 0 HB3 SER A 17 2.221 1.070 -8.185 1.00 34.13 H new ATOM 0 HG SER A 17 1.660 3.209 -7.591 1.00 1.42 H new ATOM 289 N LEU A 18 1.207 2.144 -4.221 1.00 22.12 N ATOM 290 CA LEU A 18 0.111 2.883 -3.604 1.00 72.23 C ATOM 291 C LEU A 18 0.580 4.251 -3.121 1.00 42.43 C ATOM 292 O LEU A 18 1.753 4.438 -2.794 1.00 53.53 O ATOM 293 CB LEU A 18 -0.471 2.088 -2.434 1.00 11.32 C ATOM 294 CG LEU A 18 -1.680 1.209 -2.755 1.00 13.04 C ATOM 295 CD1 LEU A 18 -2.119 0.435 -1.522 1.00 33.43 C ATOM 296 CD2 LEU A 18 -2.826 2.054 -3.292 1.00 73.43 C ATOM 0 H LEU A 18 1.890 1.773 -3.560 1.00 22.12 H new ATOM 0 HA LEU A 18 -0.664 3.030 -4.356 1.00 72.23 H new ATOM 0 HB2 LEU A 18 0.315 1.454 -2.025 1.00 11.32 H new ATOM 0 HB3 LEU A 18 -0.755 2.790 -1.650 1.00 11.32 H new ATOM 0 HG LEU A 18 -1.391 0.493 -3.525 1.00 13.04 H new ATOM 0 HD11 LEU A 18 -2.981 -0.185 -1.769 1.00 33.43 H new ATOM 0 HD12 LEU A 18 -1.301 -0.200 -1.180 1.00 33.43 H new ATOM 0 HD13 LEU A 18 -2.390 1.134 -0.731 1.00 33.43 H new ATOM 0 HD21 LEU A 18 -3.678 1.412 -3.515 1.00 73.43 H new ATOM 0 HD22 LEU A 18 -3.114 2.793 -2.545 1.00 73.43 H new ATOM 0 HD23 LEU A 18 -2.507 2.563 -4.202 1.00 73.43 H new ATOM 308 N THR A 19 -0.343 5.207 -3.077 1.00 35.52 N ATOM 309 CA THR A 19 -0.025 6.558 -2.633 1.00 31.43 C ATOM 310 C THR A 19 -0.181 6.691 -1.122 1.00 41.02 C ATOM 311 O THR A 19 -0.577 5.743 -0.443 1.00 43.34 O ATOM 312 CB THR A 19 -0.922 7.602 -3.324 1.00 44.11 C ATOM 313 OG1 THR A 19 -1.492 7.047 -4.514 1.00 73.13 O ATOM 314 CG2 THR A 19 -0.127 8.852 -3.672 1.00 31.10 C ATOM 0 H THR A 19 -1.318 5.070 -3.344 1.00 35.52 H new ATOM 0 HA THR A 19 1.014 6.744 -2.906 1.00 31.43 H new ATOM 0 HB THR A 19 -1.720 7.878 -2.634 1.00 44.11 H new ATOM 0 HG1 THR A 19 -1.874 7.766 -5.060 1.00 73.13 H new ATOM 0 HG21 THR A 19 -0.781 9.575 -4.159 1.00 31.10 H new ATOM 0 HG22 THR A 19 0.282 9.289 -2.761 1.00 31.10 H new ATOM 0 HG23 THR A 19 0.688 8.589 -4.346 1.00 31.10 H new ATOM 322 N ASP A 20 0.132 7.873 -0.602 1.00 72.31 N ATOM 323 CA ASP A 20 0.025 8.131 0.829 1.00 34.42 C ATOM 324 C ASP A 20 -0.884 9.326 1.099 1.00 3.14 C ATOM 325 O ASP A 20 -1.070 9.730 2.247 1.00 30.25 O ATOM 326 CB ASP A 20 1.409 8.380 1.429 1.00 1.33 C ATOM 327 CG ASP A 20 2.305 9.180 0.504 1.00 25.40 C ATOM 328 OD1 ASP A 20 2.283 10.425 0.587 1.00 1.21 O ATOM 329 OD2 ASP A 20 3.029 8.559 -0.304 1.00 13.52 O ATOM 0 H ASP A 20 0.462 8.667 -1.150 1.00 72.31 H new ATOM 0 HA ASP A 20 -0.413 7.251 1.300 1.00 34.42 H new ATOM 0 HB2 ASP A 20 1.302 8.911 2.375 1.00 1.33 H new ATOM 0 HB3 ASP A 20 1.883 7.424 1.652 1.00 1.33 H new ATOM 334 N ASP A 21 -1.445 9.888 0.035 1.00 53.31 N ATOM 335 CA ASP A 21 -2.334 11.038 0.157 1.00 72.12 C ATOM 336 C ASP A 21 -3.794 10.596 0.172 1.00 14.55 C ATOM 337 O ASP A 21 -4.560 10.981 1.056 1.00 65.42 O ATOM 338 CB ASP A 21 -2.097 12.017 -0.994 1.00 2.44 C ATOM 339 CG ASP A 21 -1.527 13.340 -0.520 1.00 23.22 C ATOM 340 OD1 ASP A 21 -0.292 13.428 -0.355 1.00 52.21 O ATOM 341 OD2 ASP A 21 -2.315 14.286 -0.313 1.00 11.23 O ATOM 0 H ASP A 21 -1.300 9.566 -0.922 1.00 53.31 H new ATOM 0 HA ASP A 21 -2.114 11.538 1.100 1.00 72.12 H new ATOM 0 HB2 ASP A 21 -1.414 11.568 -1.715 1.00 2.44 H new ATOM 0 HB3 ASP A 21 -3.038 12.196 -1.515 1.00 2.44 H new ATOM 346 N ASN A 22 -4.173 9.788 -0.812 1.00 55.11 N ATOM 347 CA ASN A 22 -5.543 9.296 -0.912 1.00 64.34 C ATOM 348 C ASN A 22 -5.585 7.776 -0.783 1.00 40.12 C ATOM 349 O ASN A 22 -6.442 7.224 -0.092 1.00 64.31 O ATOM 350 CB ASN A 22 -6.164 9.723 -2.244 1.00 11.25 C ATOM 351 CG ASN A 22 -6.653 11.159 -2.219 1.00 23.40 C ATOM 352 OD1 ASN A 22 -7.470 11.534 -1.378 1.00 70.42 O ATOM 353 ND2 ASN A 22 -6.153 11.969 -3.144 1.00 43.52 N ATOM 0 H ASN A 22 -3.552 9.460 -1.551 1.00 55.11 H new ATOM 0 HA ASN A 22 -6.119 9.729 -0.094 1.00 64.34 H new ATOM 0 HB2 ASN A 22 -5.428 9.606 -3.039 1.00 11.25 H new ATOM 0 HB3 ASN A 22 -6.997 9.062 -2.482 1.00 11.25 H new ATOM 0 HD21 ASN A 22 -6.444 12.946 -3.177 1.00 43.52 H new ATOM 0 HD22 ASN A 22 -5.478 11.614 -3.821 1.00 43.52 H new ATOM 360 N THR A 23 -4.653 7.104 -1.453 1.00 55.41 N ATOM 361 CA THR A 23 -4.584 5.649 -1.414 1.00 51.23 C ATOM 362 C THR A 23 -5.861 5.023 -1.962 1.00 73.03 C ATOM 363 O THR A 23 -5.919 4.626 -3.127 1.00 11.44 O ATOM 364 CB THR A 23 -4.348 5.136 0.019 1.00 52.02 C ATOM 365 OG1 THR A 23 -3.066 5.567 0.489 1.00 60.14 O ATOM 366 CG2 THR A 23 -4.429 3.618 0.070 1.00 22.21 C ATOM 0 H THR A 23 -3.936 7.545 -2.029 1.00 55.41 H new ATOM 0 HA THR A 23 -3.741 5.356 -2.040 1.00 51.23 H new ATOM 0 HB THR A 23 -5.126 5.547 0.662 1.00 52.02 H new ATOM 0 HG1 THR A 23 -3.030 5.483 1.465 1.00 60.14 H new ATOM 0 HG21 THR A 23 -4.259 3.279 1.092 1.00 22.21 H new ATOM 0 HG22 THR A 23 -5.416 3.295 -0.260 1.00 22.21 H new ATOM 0 HG23 THR A 23 -3.670 3.191 -0.585 1.00 22.21 H new ATOM 374 N ILE A 24 -6.883 4.938 -1.117 1.00 22.31 N ATOM 375 CA ILE A 24 -8.160 4.361 -1.518 1.00 41.13 C ATOM 376 C ILE A 24 -8.910 5.292 -2.464 1.00 54.33 C ATOM 377 O ILE A 24 -9.383 4.872 -3.520 1.00 32.12 O ATOM 378 CB ILE A 24 -9.050 4.061 -0.298 1.00 74.21 C ATOM 379 CG1 ILE A 24 -8.299 3.183 0.705 1.00 11.33 C ATOM 380 CG2 ILE A 24 -10.341 3.386 -0.738 1.00 11.03 C ATOM 381 CD1 ILE A 24 -7.628 3.968 1.811 1.00 52.23 C ATOM 0 H ILE A 24 -6.851 5.262 -0.150 1.00 22.31 H new ATOM 0 HA ILE A 24 -7.937 3.426 -2.033 1.00 41.13 H new ATOM 0 HB ILE A 24 -9.302 5.003 0.190 1.00 74.21 H new ATOM 0 HG12 ILE A 24 -8.997 2.472 1.147 1.00 11.33 H new ATOM 0 HG13 ILE A 24 -7.545 2.602 0.174 1.00 11.33 H new ATOM 0 HG21 ILE A 24 -10.960 3.180 0.135 1.00 11.03 H new ATOM 0 HG22 ILE A 24 -10.882 4.043 -1.419 1.00 11.03 H new ATOM 0 HG23 ILE A 24 -10.108 2.450 -1.246 1.00 11.03 H new ATOM 0 HD11 ILE A 24 -7.115 3.282 2.485 1.00 52.23 H new ATOM 0 HD12 ILE A 24 -6.905 4.660 1.379 1.00 52.23 H new ATOM 0 HD13 ILE A 24 -8.380 4.528 2.367 1.00 52.23 H new ATOM 393 N ALA A 25 -9.014 6.560 -2.079 1.00 50.12 N ATOM 394 CA ALA A 25 -9.703 7.552 -2.895 1.00 14.33 C ATOM 395 C ALA A 25 -9.073 7.658 -4.279 1.00 54.43 C ATOM 396 O ALA A 25 -9.774 7.816 -5.279 1.00 3.33 O ATOM 397 CB ALA A 25 -9.690 8.907 -2.201 1.00 70.44 C ATOM 0 H ALA A 25 -8.630 6.924 -1.207 1.00 50.12 H new ATOM 0 HA ALA A 25 -10.737 7.230 -3.019 1.00 14.33 H new ATOM 0 HB1 ALA A 25 -10.208 9.638 -2.821 1.00 70.44 H new ATOM 0 HB2 ALA A 25 -10.193 8.827 -1.237 1.00 70.44 H new ATOM 0 HB3 ALA A 25 -8.659 9.227 -2.047 1.00 70.44 H new ATOM 403 N GLU A 26 -7.748 7.571 -4.330 1.00 1.23 N ATOM 404 CA GLU A 26 -7.025 7.659 -5.593 1.00 3.31 C ATOM 405 C GLU A 26 -7.290 6.431 -6.459 1.00 14.13 C ATOM 406 O GLU A 26 -7.451 6.538 -7.675 1.00 64.13 O ATOM 407 CB GLU A 26 -5.523 7.801 -5.337 1.00 42.44 C ATOM 408 CG GLU A 26 -4.688 7.814 -6.607 1.00 1.41 C ATOM 409 CD GLU A 26 -3.854 9.073 -6.744 1.00 10.41 C ATOM 410 OE1 GLU A 26 -2.715 9.089 -6.231 1.00 73.41 O ATOM 411 OE2 GLU A 26 -4.340 10.043 -7.363 1.00 64.10 O ATOM 0 H GLU A 26 -7.153 7.440 -3.512 1.00 1.23 H new ATOM 0 HA GLU A 26 -7.381 8.541 -6.125 1.00 3.31 H new ATOM 0 HB2 GLU A 26 -5.343 8.723 -4.784 1.00 42.44 H new ATOM 0 HB3 GLU A 26 -5.192 6.979 -4.703 1.00 42.44 H new ATOM 0 HG2 GLU A 26 -4.031 6.945 -6.614 1.00 1.41 H new ATOM 0 HG3 GLU A 26 -5.346 7.723 -7.471 1.00 1.41 H new ATOM 418 N LEU A 27 -7.335 5.265 -5.823 1.00 53.43 N ATOM 419 CA LEU A 27 -7.581 4.015 -6.534 1.00 40.44 C ATOM 420 C LEU A 27 -8.994 3.984 -7.108 1.00 40.00 C ATOM 421 O LEU A 27 -9.192 3.681 -8.285 1.00 25.11 O ATOM 422 CB LEU A 27 -7.372 2.824 -5.598 1.00 63.34 C ATOM 423 CG LEU A 27 -6.255 1.854 -5.986 1.00 62.10 C ATOM 424 CD1 LEU A 27 -6.234 0.660 -5.044 1.00 70.14 C ATOM 425 CD2 LEU A 27 -6.423 1.396 -7.427 1.00 63.15 C ATOM 0 H LEU A 27 -7.204 5.159 -4.817 1.00 53.43 H new ATOM 0 HA LEU A 27 -6.872 3.949 -7.359 1.00 40.44 H new ATOM 0 HB2 LEU A 27 -7.164 3.205 -4.598 1.00 63.34 H new ATOM 0 HB3 LEU A 27 -8.306 2.266 -5.538 1.00 63.34 H new ATOM 0 HG LEU A 27 -5.301 2.375 -5.900 1.00 62.10 H new ATOM 0 HD11 LEU A 27 -5.433 -0.019 -5.335 1.00 70.14 H new ATOM 0 HD12 LEU A 27 -6.065 1.004 -4.024 1.00 70.14 H new ATOM 0 HD13 LEU A 27 -7.189 0.138 -5.097 1.00 70.14 H new ATOM 0 HD21 LEU A 27 -5.619 0.706 -7.686 1.00 63.15 H new ATOM 0 HD22 LEU A 27 -7.383 0.893 -7.539 1.00 63.15 H new ATOM 0 HD23 LEU A 27 -6.387 2.260 -8.090 1.00 63.15 H new ATOM 437 N LYS A 28 -9.975 4.301 -6.269 1.00 44.25 N ATOM 438 CA LYS A 28 -11.370 4.313 -6.693 1.00 1.34 C ATOM 439 C LYS A 28 -11.613 5.399 -7.737 1.00 25.54 C ATOM 440 O LYS A 28 -12.352 5.194 -8.698 1.00 14.30 O ATOM 441 CB LYS A 28 -12.288 4.535 -5.488 1.00 45.11 C ATOM 442 CG LYS A 28 -12.108 5.891 -4.828 1.00 41.22 C ATOM 443 CD LYS A 28 -12.942 6.011 -3.564 1.00 21.13 C ATOM 444 CE LYS A 28 -14.431 5.954 -3.870 1.00 64.34 C ATOM 445 NZ LYS A 28 -15.013 4.622 -3.548 1.00 23.44 N ATOM 0 H LYS A 28 -9.829 4.553 -5.291 1.00 44.25 H new ATOM 0 HA LYS A 28 -11.596 3.346 -7.142 1.00 1.34 H new ATOM 0 HB2 LYS A 28 -13.325 4.431 -5.808 1.00 45.11 H new ATOM 0 HB3 LYS A 28 -12.101 3.754 -4.751 1.00 45.11 H new ATOM 0 HG2 LYS A 28 -11.056 6.042 -4.587 1.00 41.22 H new ATOM 0 HG3 LYS A 28 -12.391 6.678 -5.528 1.00 41.22 H new ATOM 0 HD2 LYS A 28 -12.680 5.207 -2.876 1.00 21.13 H new ATOM 0 HD3 LYS A 28 -12.709 6.949 -3.061 1.00 21.13 H new ATOM 0 HE2 LYS A 28 -14.949 6.724 -3.299 1.00 64.34 H new ATOM 0 HE3 LYS A 28 -14.594 6.176 -4.925 1.00 64.34 H new ATOM 0 HZ1 LYS A 28 -16.029 4.624 -3.771 1.00 23.44 H new ATOM 0 HZ2 LYS A 28 -14.536 3.889 -4.112 1.00 23.44 H new ATOM 0 HZ3 LYS A 28 -14.881 4.421 -2.536 1.00 23.44 H new ATOM 459 N GLY A 29 -10.983 6.553 -7.541 1.00 43.21 N ATOM 460 CA GLY A 29 -11.142 7.653 -8.475 1.00 34.43 C ATOM 461 C GLY A 29 -10.527 7.358 -9.828 1.00 45.11 C ATOM 462 O GLY A 29 -11.032 7.802 -10.859 1.00 54.01 O ATOM 0 H GLY A 29 -10.365 6.746 -6.752 1.00 43.21 H new ATOM 0 HA2 GLY A 29 -12.203 7.868 -8.601 1.00 34.43 H new ATOM 0 HA3 GLY A 29 -10.682 8.549 -8.058 1.00 34.43 H new ATOM 466 N LYS A 30 -9.430 6.608 -9.827 1.00 3.24 N ATOM 467 CA LYS A 30 -8.742 6.255 -11.063 1.00 34.50 C ATOM 468 C LYS A 30 -9.547 5.232 -11.859 1.00 42.03 C ATOM 469 O LYS A 30 -9.566 5.264 -13.090 1.00 43.45 O ATOM 470 CB LYS A 30 -7.351 5.697 -10.756 1.00 22.25 C ATOM 471 CG LYS A 30 -6.274 6.764 -10.665 1.00 11.31 C ATOM 472 CD LYS A 30 -5.402 6.784 -11.909 1.00 21.51 C ATOM 473 CE LYS A 30 -4.288 7.812 -11.793 1.00 3.44 C ATOM 474 NZ LYS A 30 -3.508 7.931 -13.056 1.00 12.11 N ATOM 0 H LYS A 30 -8.998 6.233 -8.983 1.00 3.24 H new ATOM 0 HA LYS A 30 -8.639 7.159 -11.663 1.00 34.50 H new ATOM 0 HB2 LYS A 30 -7.388 5.149 -9.814 1.00 22.25 H new ATOM 0 HB3 LYS A 30 -7.077 4.981 -11.531 1.00 22.25 H new ATOM 0 HG2 LYS A 30 -6.739 7.741 -10.530 1.00 11.31 H new ATOM 0 HG3 LYS A 30 -5.653 6.582 -9.788 1.00 11.31 H new ATOM 0 HD2 LYS A 30 -4.971 5.796 -12.068 1.00 21.51 H new ATOM 0 HD3 LYS A 30 -6.016 7.008 -12.781 1.00 21.51 H new ATOM 0 HE2 LYS A 30 -4.714 8.782 -11.537 1.00 3.44 H new ATOM 0 HE3 LYS A 30 -3.620 7.533 -10.979 1.00 3.44 H new ATOM 0 HZ1 LYS A 30 -2.758 8.642 -12.935 1.00 12.11 H new ATOM 0 HZ2 LYS A 30 -3.080 7.012 -13.287 1.00 12.11 H new ATOM 0 HZ3 LYS A 30 -4.140 8.223 -13.828 1.00 12.11 H new ATOM 488 N LEU A 31 -10.211 4.327 -11.150 1.00 31.52 N ATOM 489 CA LEU A 31 -11.019 3.295 -11.791 1.00 33.13 C ATOM 490 C LEU A 31 -12.256 3.901 -12.447 1.00 4.10 C ATOM 491 O LEU A 31 -12.611 3.545 -13.570 1.00 30.12 O ATOM 492 CB LEU A 31 -11.438 2.238 -10.767 1.00 63.11 C ATOM 493 CG LEU A 31 -11.760 0.852 -11.327 1.00 53.01 C ATOM 494 CD1 LEU A 31 -11.451 -0.225 -10.298 1.00 54.52 C ATOM 495 CD2 LEU A 31 -13.218 0.777 -11.759 1.00 5.21 C ATOM 0 H LEU A 31 -10.206 4.286 -10.131 1.00 31.52 H new ATOM 0 HA LEU A 31 -10.414 2.823 -12.565 1.00 33.13 H new ATOM 0 HB2 LEU A 31 -10.639 2.135 -10.033 1.00 63.11 H new ATOM 0 HB3 LEU A 31 -12.315 2.605 -10.234 1.00 63.11 H new ATOM 0 HG LEU A 31 -11.133 0.680 -12.202 1.00 53.01 H new ATOM 0 HD11 LEU A 31 -11.686 -1.204 -10.714 1.00 54.52 H new ATOM 0 HD12 LEU A 31 -10.393 -0.186 -10.037 1.00 54.52 H new ATOM 0 HD13 LEU A 31 -12.051 -0.057 -9.404 1.00 54.52 H new ATOM 0 HD21 LEU A 31 -13.430 -0.216 -12.155 1.00 5.21 H new ATOM 0 HD22 LEU A 31 -13.862 0.970 -10.901 1.00 5.21 H new ATOM 0 HD23 LEU A 31 -13.408 1.523 -12.531 1.00 5.21 H new ATOM 507 N GLU A 32 -12.905 4.820 -11.739 1.00 2.01 N ATOM 508 CA GLU A 32 -14.101 5.476 -12.254 1.00 45.52 C ATOM 509 C GLU A 32 -13.758 6.383 -13.433 1.00 73.23 C ATOM 510 O GLU A 32 -14.499 6.449 -14.414 1.00 31.45 O ATOM 511 CB GLU A 32 -14.778 6.291 -11.150 1.00 40.24 C ATOM 512 CG GLU A 32 -13.876 7.345 -10.531 1.00 43.30 C ATOM 513 CD GLU A 32 -14.551 8.102 -9.404 1.00 11.02 C ATOM 514 OE1 GLU A 32 -14.679 7.533 -8.300 1.00 14.12 O ATOM 515 OE2 GLU A 32 -14.951 9.264 -9.626 1.00 52.15 O ATOM 0 H GLU A 32 -12.623 5.127 -10.808 1.00 2.01 H new ATOM 0 HA GLU A 32 -14.788 4.704 -12.599 1.00 45.52 H new ATOM 0 HB2 GLU A 32 -15.663 6.778 -11.560 1.00 40.24 H new ATOM 0 HB3 GLU A 32 -15.121 5.613 -10.368 1.00 40.24 H new ATOM 0 HG2 GLU A 32 -12.972 6.867 -10.153 1.00 43.30 H new ATOM 0 HG3 GLU A 32 -13.565 8.050 -11.302 1.00 43.30 H new ATOM 522 N GLU A 33 -12.631 7.080 -13.329 1.00 31.32 N ATOM 523 CA GLU A 33 -12.192 7.983 -14.386 1.00 4.24 C ATOM 524 C GLU A 33 -11.796 7.205 -15.637 1.00 63.21 C ATOM 525 O GLU A 33 -12.009 7.663 -16.759 1.00 73.15 O ATOM 526 CB GLU A 33 -11.012 8.831 -13.905 1.00 12.04 C ATOM 527 CG GLU A 33 -10.904 10.176 -14.604 1.00 33.15 C ATOM 528 CD GLU A 33 -11.973 11.154 -14.155 1.00 22.10 C ATOM 529 OE1 GLU A 33 -11.769 11.819 -13.118 1.00 12.41 O ATOM 530 OE2 GLU A 33 -13.012 11.254 -14.840 1.00 61.40 O ATOM 0 H GLU A 33 -12.006 7.037 -12.524 1.00 31.32 H new ATOM 0 HA GLU A 33 -13.025 8.640 -14.636 1.00 4.24 H new ATOM 0 HB2 GLU A 33 -11.107 8.995 -12.832 1.00 12.04 H new ATOM 0 HB3 GLU A 33 -10.088 8.274 -14.061 1.00 12.04 H new ATOM 0 HG2 GLU A 33 -9.921 10.604 -14.410 1.00 33.15 H new ATOM 0 HG3 GLU A 33 -10.981 10.029 -15.681 1.00 33.15 H new ATOM 537 N SER A 34 -11.217 6.025 -15.435 1.00 1.51 N ATOM 538 CA SER A 34 -10.787 5.185 -16.546 1.00 24.41 C ATOM 539 C SER A 34 -11.981 4.736 -17.382 1.00 33.21 C ATOM 540 O SER A 34 -11.942 4.778 -18.611 1.00 73.41 O ATOM 541 CB SER A 34 -10.027 3.963 -16.024 1.00 40.34 C ATOM 542 OG SER A 34 -10.918 2.995 -15.498 1.00 2.22 O ATOM 0 H SER A 34 -11.035 5.630 -14.512 1.00 1.51 H new ATOM 0 HA SER A 34 -10.124 5.774 -17.179 1.00 24.41 H new ATOM 0 HB2 SER A 34 -9.442 3.523 -16.831 1.00 40.34 H new ATOM 0 HB3 SER A 34 -9.323 4.272 -15.251 1.00 40.34 H new ATOM 0 HG SER A 34 -11.309 3.329 -14.664 1.00 2.22 H new ATOM 548 N GLU A 35 -13.042 4.307 -16.705 1.00 22.33 N ATOM 549 CA GLU A 35 -14.248 3.849 -17.385 1.00 3.11 C ATOM 550 C GLU A 35 -15.158 5.025 -17.728 1.00 61.34 C ATOM 551 O GLU A 35 -16.179 4.859 -18.394 1.00 15.34 O ATOM 552 CB GLU A 35 -15.002 2.844 -16.512 1.00 60.11 C ATOM 553 CG GLU A 35 -14.443 1.433 -16.587 1.00 20.01 C ATOM 554 CD GLU A 35 -15.039 0.629 -17.726 1.00 31.11 C ATOM 555 OE1 GLU A 35 -16.150 0.087 -17.552 1.00 74.41 O ATOM 556 OE2 GLU A 35 -14.394 0.542 -18.792 1.00 4.44 O ATOM 0 H GLU A 35 -13.091 4.267 -15.687 1.00 22.33 H new ATOM 0 HA GLU A 35 -13.949 3.361 -18.312 1.00 3.11 H new ATOM 0 HB2 GLU A 35 -14.974 3.182 -15.476 1.00 60.11 H new ATOM 0 HB3 GLU A 35 -16.049 2.827 -16.814 1.00 60.11 H new ATOM 0 HG2 GLU A 35 -13.361 1.481 -16.708 1.00 20.01 H new ATOM 0 HG3 GLU A 35 -14.636 0.919 -15.645 1.00 20.01 H new ATOM 563 N GLY A 36 -14.779 6.213 -17.268 1.00 41.44 N ATOM 564 CA GLY A 36 -15.571 7.399 -17.536 1.00 13.32 C ATOM 565 C GLY A 36 -16.604 7.662 -16.458 1.00 21.14 C ATOM 566 O GLY A 36 -16.775 8.799 -16.017 1.00 75.01 O ATOM 0 H GLY A 36 -13.938 6.375 -16.715 1.00 41.44 H new ATOM 0 HA2 GLY A 36 -14.910 8.262 -17.620 1.00 13.32 H new ATOM 0 HA3 GLY A 36 -16.073 7.287 -18.497 1.00 13.32 H new ATOM 570 N ILE A 37 -17.294 6.609 -16.033 1.00 12.12 N ATOM 571 CA ILE A 37 -18.316 6.732 -15.000 1.00 64.02 C ATOM 572 C ILE A 37 -18.251 5.565 -14.021 1.00 61.43 C ATOM 573 O ILE A 37 -17.780 4.475 -14.347 1.00 25.34 O ATOM 574 CB ILE A 37 -19.728 6.798 -15.610 1.00 71.14 C ATOM 575 CG1 ILE A 37 -19.906 5.697 -16.658 1.00 54.54 C ATOM 576 CG2 ILE A 37 -19.976 8.167 -16.225 1.00 12.41 C ATOM 577 CD1 ILE A 37 -21.277 5.059 -16.636 1.00 74.45 C ATOM 0 H ILE A 37 -17.164 5.661 -16.388 1.00 12.12 H new ATOM 0 HA ILE A 37 -18.116 7.662 -14.467 1.00 64.02 H new ATOM 0 HB ILE A 37 -20.458 6.640 -14.816 1.00 71.14 H new ATOM 0 HG12 ILE A 37 -19.725 6.116 -17.648 1.00 54.54 H new ATOM 0 HG13 ILE A 37 -19.153 4.926 -16.495 1.00 54.54 H new ATOM 0 HG21 ILE A 37 -20.978 8.198 -16.652 1.00 12.41 H new ATOM 0 HG22 ILE A 37 -19.886 8.933 -15.455 1.00 12.41 H new ATOM 0 HG23 ILE A 37 -19.242 8.352 -17.009 1.00 12.41 H new ATOM 0 HD11 ILE A 37 -21.332 4.288 -17.405 1.00 74.45 H new ATOM 0 HD12 ILE A 37 -21.454 4.610 -15.659 1.00 74.45 H new ATOM 0 HD13 ILE A 37 -22.035 5.818 -16.829 1.00 74.45 H new ATOM 589 N PRO A 38 -18.737 5.795 -12.793 1.00 31.04 N ATOM 590 CA PRO A 38 -18.748 4.774 -11.741 1.00 71.42 C ATOM 591 C PRO A 38 -19.742 3.654 -12.031 1.00 61.11 C ATOM 592 O PRO A 38 -20.845 3.900 -12.517 1.00 41.22 O ATOM 593 CB PRO A 38 -19.170 5.553 -10.493 1.00 52.45 C ATOM 594 CG PRO A 38 -19.942 6.715 -11.016 1.00 54.31 C ATOM 595 CD PRO A 38 -19.314 7.070 -12.335 1.00 52.34 C ATOM 0 HA PRO A 38 -17.782 4.279 -11.644 1.00 71.42 H new ATOM 0 HB2 PRO A 38 -19.779 4.939 -9.830 1.00 52.45 H new ATOM 0 HB3 PRO A 38 -18.303 5.880 -9.918 1.00 52.45 H new ATOM 0 HG2 PRO A 38 -20.994 6.460 -11.141 1.00 54.31 H new ATOM 0 HG3 PRO A 38 -19.898 7.556 -10.324 1.00 54.31 H new ATOM 0 HD2 PRO A 38 -20.051 7.454 -13.040 1.00 52.34 H new ATOM 0 HD3 PRO A 38 -18.550 7.839 -12.222 1.00 52.34 H new ATOM 603 N GLY A 39 -19.343 2.422 -11.729 1.00 34.12 N ATOM 604 CA GLY A 39 -20.211 1.283 -11.964 1.00 34.13 C ATOM 605 C GLY A 39 -21.589 1.470 -11.360 1.00 73.31 C ATOM 606 O GLY A 39 -22.600 1.197 -12.007 1.00 4.11 O ATOM 0 H GLY A 39 -18.435 2.193 -11.326 1.00 34.12 H new ATOM 0 HA2 GLY A 39 -20.307 1.119 -13.037 1.00 34.13 H new ATOM 0 HA3 GLY A 39 -19.752 0.388 -11.544 1.00 34.13 H new ATOM 610 N ASN A 40 -21.630 1.935 -10.116 1.00 34.54 N ATOM 611 CA ASN A 40 -22.895 2.155 -9.424 1.00 0.25 C ATOM 612 C ASN A 40 -22.657 2.592 -7.981 1.00 42.34 C ATOM 613 O ASN A 40 -22.899 3.745 -7.624 1.00 31.45 O ATOM 614 CB ASN A 40 -23.743 0.882 -9.449 1.00 30.12 C ATOM 615 CG ASN A 40 -25.068 1.084 -10.159 1.00 21.34 C ATOM 616 OD1 ASN A 40 -25.185 0.531 -11.360 1.00 62.24 O flip ATOM 617 ND2 ASN A 40 -25.975 1.729 -9.632 1.00 73.13 N flip ATOM 0 H ASN A 40 -20.803 2.167 -9.566 1.00 34.54 H new ATOM 0 HA ASN A 40 -23.430 2.950 -9.943 1.00 0.25 H new ATOM 0 HB2 ASN A 40 -23.186 0.087 -9.945 1.00 30.12 H new ATOM 0 HB3 ASN A 40 -23.928 0.552 -8.427 1.00 30.12 H new ATOM 0 HD21 ASN A 40 -25.840 2.136 -8.707 1.00 73.13 H new ATOM 0 HD22 ASN A 40 -26.861 1.856 -10.121 1.00 73.13 H new ATOM 624 N MET A 41 -22.180 1.664 -7.158 1.00 71.05 N ATOM 625 CA MET A 41 -21.907 1.954 -5.756 1.00 13.14 C ATOM 626 C MET A 41 -20.409 2.101 -5.512 1.00 65.42 C ATOM 627 O MET A 41 -19.974 2.984 -4.773 1.00 11.04 O ATOM 628 CB MET A 41 -22.475 0.848 -4.864 1.00 61.01 C ATOM 629 CG MET A 41 -23.958 1.006 -4.570 1.00 22.34 C ATOM 630 SD MET A 41 -24.465 0.135 -3.074 1.00 55.15 S ATOM 631 CE MET A 41 -24.849 1.512 -1.995 1.00 34.10 C ATOM 0 H MET A 41 -21.975 0.705 -7.438 1.00 71.05 H new ATOM 0 HA MET A 41 -22.392 2.898 -5.506 1.00 13.14 H new ATOM 0 HB2 MET A 41 -22.309 -0.116 -5.344 1.00 61.01 H new ATOM 0 HB3 MET A 41 -21.926 0.834 -3.923 1.00 61.01 H new ATOM 0 HG2 MET A 41 -24.193 2.065 -4.467 1.00 22.34 H new ATOM 0 HG3 MET A 41 -24.534 0.633 -5.416 1.00 22.34 H new ATOM 0 HE1 MET A 41 -24.796 1.186 -0.956 1.00 34.10 H new ATOM 0 HE2 MET A 41 -24.131 2.315 -2.160 1.00 34.10 H new ATOM 0 HE3 MET A 41 -25.854 1.874 -2.211 1.00 34.10 H new ATOM 641 N ILE A 42 -19.624 1.230 -6.138 1.00 72.32 N ATOM 642 CA ILE A 42 -18.175 1.264 -5.989 1.00 64.35 C ATOM 643 C ILE A 42 -17.773 1.283 -4.518 1.00 72.25 C ATOM 644 O ILE A 42 -17.037 2.165 -4.077 1.00 2.11 O ATOM 645 CB ILE A 42 -17.565 2.491 -6.692 1.00 51.13 C ATOM 646 CG1 ILE A 42 -18.173 2.662 -8.086 1.00 11.11 C ATOM 647 CG2 ILE A 42 -16.053 2.354 -6.782 1.00 24.55 C ATOM 648 CD1 ILE A 42 -17.975 1.461 -8.983 1.00 62.33 C ATOM 0 H ILE A 42 -19.968 0.492 -6.753 1.00 72.32 H new ATOM 0 HA ILE A 42 -17.789 0.358 -6.457 1.00 64.35 H new ATOM 0 HB ILE A 42 -17.795 3.379 -6.103 1.00 51.13 H new ATOM 0 HG12 ILE A 42 -19.240 2.859 -7.986 1.00 11.11 H new ATOM 0 HG13 ILE A 42 -17.731 3.537 -8.562 1.00 11.11 H new ATOM 0 HG21 ILE A 42 -15.637 3.229 -7.281 1.00 24.55 H new ATOM 0 HG22 ILE A 42 -15.634 2.276 -5.779 1.00 24.55 H new ATOM 0 HG23 ILE A 42 -15.802 1.459 -7.351 1.00 24.55 H new ATOM 0 HD11 ILE A 42 -18.431 1.653 -9.954 1.00 62.33 H new ATOM 0 HD12 ILE A 42 -16.909 1.276 -9.113 1.00 62.33 H new ATOM 0 HD13 ILE A 42 -18.442 0.587 -8.529 1.00 62.33 H new ATOM 660 N ARG A 43 -18.261 0.303 -3.765 1.00 20.21 N ATOM 661 CA ARG A 43 -17.953 0.206 -2.343 1.00 44.52 C ATOM 662 C ARG A 43 -17.196 -1.083 -2.037 1.00 52.11 C ATOM 663 O ARG A 43 -17.708 -2.182 -2.253 1.00 35.12 O ATOM 664 CB ARG A 43 -19.238 0.265 -1.516 1.00 30.02 C ATOM 665 CG ARG A 43 -19.254 1.390 -0.494 1.00 51.53 C ATOM 666 CD ARG A 43 -20.666 1.688 -0.015 1.00 74.05 C ATOM 667 NE ARG A 43 -21.382 2.568 -0.935 1.00 11.40 N ATOM 668 CZ ARG A 43 -21.227 3.887 -0.960 1.00 2.50 C ATOM 669 NH1 ARG A 43 -20.385 4.475 -0.121 1.00 14.32 N ATOM 670 NH2 ARG A 43 -21.914 4.621 -1.826 1.00 42.22 N ATOM 0 H ARG A 43 -18.871 -0.435 -4.116 1.00 20.21 H new ATOM 0 HA ARG A 43 -17.318 1.051 -2.076 1.00 44.52 H new ATOM 0 HB2 ARG A 43 -20.088 0.384 -2.188 1.00 30.02 H new ATOM 0 HB3 ARG A 43 -19.371 -0.686 -0.999 1.00 30.02 H new ATOM 0 HG2 ARG A 43 -18.630 1.118 0.357 1.00 51.53 H new ATOM 0 HG3 ARG A 43 -18.821 2.288 -0.934 1.00 51.53 H new ATOM 0 HD2 ARG A 43 -21.216 0.754 0.095 1.00 74.05 H new ATOM 0 HD3 ARG A 43 -20.624 2.151 0.971 1.00 74.05 H new ATOM 0 HE ARG A 43 -22.037 2.147 -1.594 1.00 11.40 H new ATOM 0 HH11 ARG A 43 -19.854 3.914 0.546 1.00 14.32 H new ATOM 0 HH12 ARG A 43 -20.268 5.488 -0.142 1.00 14.32 H new ATOM 0 HH21 ARG A 43 -22.562 4.172 -2.473 1.00 42.22 H new ATOM 0 HH22 ARG A 43 -21.794 5.634 -1.844 1.00 42.22 H new ATOM 684 N LEU A 44 -15.975 -0.941 -1.534 1.00 40.20 N ATOM 685 CA LEU A 44 -15.147 -2.094 -1.198 1.00 42.04 C ATOM 686 C LEU A 44 -15.082 -2.297 0.312 1.00 12.30 C ATOM 687 O LEU A 44 -15.286 -1.360 1.084 1.00 1.21 O ATOM 688 CB LEU A 44 -13.736 -1.915 -1.761 1.00 42.52 C ATOM 689 CG LEU A 44 -12.979 -0.671 -1.292 1.00 31.40 C ATOM 690 CD1 LEU A 44 -11.924 -1.046 -0.263 1.00 2.31 C ATOM 691 CD2 LEU A 44 -12.343 0.044 -2.475 1.00 30.11 C ATOM 0 H LEU A 44 -15.536 -0.039 -1.350 1.00 40.20 H new ATOM 0 HA LEU A 44 -15.601 -2.978 -1.645 1.00 42.04 H new ATOM 0 HB2 LEU A 44 -13.148 -2.794 -1.499 1.00 42.52 H new ATOM 0 HB3 LEU A 44 -13.801 -1.888 -2.849 1.00 42.52 H new ATOM 0 HG LEU A 44 -13.690 0.009 -0.822 1.00 31.40 H new ATOM 0 HD11 LEU A 44 -11.395 -0.149 0.060 1.00 2.31 H new ATOM 0 HD12 LEU A 44 -12.404 -1.513 0.597 1.00 2.31 H new ATOM 0 HD13 LEU A 44 -11.215 -1.745 -0.707 1.00 2.31 H new ATOM 0 HD21 LEU A 44 -11.809 0.926 -2.123 1.00 30.11 H new ATOM 0 HD22 LEU A 44 -11.644 -0.628 -2.974 1.00 30.11 H new ATOM 0 HD23 LEU A 44 -13.120 0.347 -3.178 1.00 30.11 H new ATOM 703 N VAL A 45 -14.795 -3.527 0.727 1.00 11.51 N ATOM 704 CA VAL A 45 -14.700 -3.852 2.145 1.00 21.01 C ATOM 705 C VAL A 45 -13.288 -4.293 2.514 1.00 30.21 C ATOM 706 O VAL A 45 -12.776 -5.280 1.984 1.00 14.05 O ATOM 707 CB VAL A 45 -15.692 -4.965 2.533 1.00 4.34 C ATOM 708 CG1 VAL A 45 -15.709 -5.163 4.041 1.00 4.34 C ATOM 709 CG2 VAL A 45 -17.084 -4.641 2.014 1.00 35.41 C ATOM 0 H VAL A 45 -14.624 -4.314 0.101 1.00 11.51 H new ATOM 0 HA VAL A 45 -14.950 -2.945 2.696 1.00 21.01 H new ATOM 0 HB VAL A 45 -15.365 -5.897 2.072 1.00 4.34 H new ATOM 0 HG11 VAL A 45 -16.415 -5.953 4.296 1.00 4.34 H new ATOM 0 HG12 VAL A 45 -14.712 -5.443 4.382 1.00 4.34 H new ATOM 0 HG13 VAL A 45 -16.011 -4.235 4.526 1.00 4.34 H new ATOM 0 HG21 VAL A 45 -17.772 -5.437 2.297 1.00 35.41 H new ATOM 0 HG22 VAL A 45 -17.423 -3.699 2.445 1.00 35.41 H new ATOM 0 HG23 VAL A 45 -17.056 -4.554 0.928 1.00 35.41 H new ATOM 719 N TYR A 46 -12.663 -3.556 3.426 1.00 74.42 N ATOM 720 CA TYR A 46 -11.309 -3.870 3.865 1.00 61.30 C ATOM 721 C TYR A 46 -11.325 -4.584 5.213 1.00 30.51 C ATOM 722 O TYR A 46 -11.742 -4.017 6.222 1.00 20.35 O ATOM 723 CB TYR A 46 -10.473 -2.593 3.962 1.00 62.11 C ATOM 724 CG TYR A 46 -9.073 -2.743 3.411 1.00 43.40 C ATOM 725 CD1 TYR A 46 -8.320 -3.881 3.672 1.00 1.31 C ATOM 726 CD2 TYR A 46 -8.503 -1.746 2.628 1.00 11.22 C ATOM 727 CE1 TYR A 46 -7.040 -4.021 3.171 1.00 11.04 C ATOM 728 CE2 TYR A 46 -7.225 -1.878 2.122 1.00 25.10 C ATOM 729 CZ TYR A 46 -6.497 -3.017 2.397 1.00 61.22 C ATOM 730 OH TYR A 46 -5.223 -3.154 1.895 1.00 41.10 O ATOM 0 H TYR A 46 -13.073 -2.737 3.875 1.00 74.42 H new ATOM 0 HA TYR A 46 -10.860 -4.535 3.127 1.00 61.30 H new ATOM 0 HB2 TYR A 46 -10.982 -1.793 3.424 1.00 62.11 H new ATOM 0 HB3 TYR A 46 -10.413 -2.287 5.006 1.00 62.11 H new ATOM 0 HD1 TYR A 46 -8.742 -4.670 4.277 1.00 1.31 H new ATOM 0 HD2 TYR A 46 -9.070 -0.852 2.412 1.00 11.22 H new ATOM 0 HE1 TYR A 46 -6.468 -4.912 3.384 1.00 11.04 H new ATOM 0 HE2 TYR A 46 -6.798 -1.094 1.514 1.00 25.10 H new ATOM 0 HH TYR A 46 -5.244 -3.729 1.102 1.00 41.10 H new ATOM 740 N GLN A 47 -10.867 -5.832 5.220 1.00 73.23 N ATOM 741 CA GLN A 47 -10.829 -6.625 6.443 1.00 2.31 C ATOM 742 C GLN A 47 -12.211 -6.707 7.082 1.00 73.31 C ATOM 743 O GLN A 47 -12.341 -6.730 8.305 1.00 25.31 O ATOM 744 CB GLN A 47 -9.831 -6.023 7.434 1.00 30.33 C ATOM 745 CG GLN A 47 -8.940 -7.057 8.104 1.00 73.21 C ATOM 746 CD GLN A 47 -8.103 -7.838 7.110 1.00 41.41 C ATOM 747 OE1 GLN A 47 -7.066 -7.363 6.646 1.00 2.43 O ATOM 748 NE2 GLN A 47 -8.550 -9.043 6.777 1.00 45.03 N ATOM 0 H GLN A 47 -10.517 -6.315 4.393 1.00 73.23 H new ATOM 0 HA GLN A 47 -10.509 -7.634 6.183 1.00 2.31 H new ATOM 0 HB2 GLN A 47 -9.205 -5.300 6.912 1.00 30.33 H new ATOM 0 HB3 GLN A 47 -10.379 -5.476 8.201 1.00 30.33 H new ATOM 0 HG2 GLN A 47 -8.281 -6.558 8.815 1.00 73.21 H new ATOM 0 HG3 GLN A 47 -9.559 -7.749 8.675 1.00 73.21 H new ATOM 0 HE21 GLN A 47 -9.415 -9.397 7.186 1.00 45.03 H new ATOM 0 HE22 GLN A 47 -8.029 -9.615 6.112 1.00 45.03 H new ATOM 757 N GLY A 48 -13.243 -6.751 6.245 1.00 73.25 N ATOM 758 CA GLY A 48 -14.603 -6.830 6.746 1.00 23.12 C ATOM 759 C GLY A 48 -15.145 -5.478 7.165 1.00 34.34 C ATOM 760 O GLY A 48 -16.263 -5.379 7.672 1.00 73.12 O ATOM 0 H GLY A 48 -13.162 -6.733 5.228 1.00 73.25 H new ATOM 0 HA2 GLY A 48 -15.247 -7.253 5.975 1.00 23.12 H new ATOM 0 HA3 GLY A 48 -14.635 -7.510 7.597 1.00 23.12 H new ATOM 764 N LYS A 49 -14.352 -4.433 6.956 1.00 21.32 N ATOM 765 CA LYS A 49 -14.758 -3.080 7.316 1.00 44.31 C ATOM 766 C LYS A 49 -15.157 -2.284 6.077 1.00 5.02 C ATOM 767 O LYS A 49 -14.729 -2.594 4.966 1.00 63.12 O ATOM 768 CB LYS A 49 -13.623 -2.364 8.052 1.00 42.44 C ATOM 769 CG LYS A 49 -13.963 -1.997 9.486 1.00 73.42 C ATOM 770 CD LYS A 49 -13.153 -2.816 10.478 1.00 55.45 C ATOM 771 CE LYS A 49 -13.681 -4.238 10.589 1.00 40.11 C ATOM 772 NZ LYS A 49 -14.935 -4.303 11.390 1.00 64.40 N ATOM 0 H LYS A 49 -13.423 -4.497 6.539 1.00 21.32 H new ATOM 0 HA LYS A 49 -15.623 -3.150 7.975 1.00 44.31 H new ATOM 0 HB2 LYS A 49 -12.740 -3.003 8.049 1.00 42.44 H new ATOM 0 HB3 LYS A 49 -13.362 -1.457 7.506 1.00 42.44 H new ATOM 0 HG2 LYS A 49 -13.771 -0.936 9.646 1.00 73.42 H new ATOM 0 HG3 LYS A 49 -15.027 -2.159 9.662 1.00 73.42 H new ATOM 0 HD2 LYS A 49 -12.109 -2.838 10.166 1.00 55.45 H new ATOM 0 HD3 LYS A 49 -13.184 -2.338 11.457 1.00 55.45 H new ATOM 0 HE2 LYS A 49 -13.866 -4.635 9.591 1.00 40.11 H new ATOM 0 HE3 LYS A 49 -12.923 -4.872 11.049 1.00 40.11 H new ATOM 0 HZ1 LYS A 49 -15.207 -5.297 11.528 1.00 64.40 H new ATOM 0 HZ2 LYS A 49 -14.779 -3.855 12.315 1.00 64.40 H new ATOM 0 HZ3 LYS A 49 -15.695 -3.803 10.886 1.00 64.40 H new ATOM 786 N GLN A 50 -15.977 -1.257 6.278 1.00 64.44 N ATOM 787 CA GLN A 50 -16.432 -0.417 5.176 1.00 24.50 C ATOM 788 C GLN A 50 -15.885 1.000 5.311 1.00 70.05 C ATOM 789 O GLN A 50 -15.495 1.426 6.399 1.00 60.34 O ATOM 790 CB GLN A 50 -17.960 -0.385 5.129 1.00 32.12 C ATOM 791 CG GLN A 50 -18.603 -1.753 5.291 1.00 61.23 C ATOM 792 CD GLN A 50 -19.862 -1.908 4.461 1.00 13.12 C ATOM 793 OE1 GLN A 50 -20.798 -1.116 4.578 1.00 2.21 O ATOM 794 NE2 GLN A 50 -19.893 -2.932 3.616 1.00 1.22 N ATOM 0 H GLN A 50 -16.339 -0.987 7.192 1.00 64.44 H new ATOM 0 HA GLN A 50 -16.056 -0.845 4.246 1.00 24.50 H new ATOM 0 HB2 GLN A 50 -18.326 0.274 5.916 1.00 32.12 H new ATOM 0 HB3 GLN A 50 -18.277 0.046 4.179 1.00 32.12 H new ATOM 0 HG2 GLN A 50 -17.887 -2.523 5.005 1.00 61.23 H new ATOM 0 HG3 GLN A 50 -18.843 -1.915 6.342 1.00 61.23 H new ATOM 0 HE21 GLN A 50 -19.095 -3.564 3.551 1.00 1.22 H new ATOM 0 HE22 GLN A 50 -20.715 -3.086 3.032 1.00 1.22 H new ATOM 803 N LEU A 51 -15.859 1.727 4.199 1.00 70.53 N ATOM 804 CA LEU A 51 -15.360 3.097 4.192 1.00 44.20 C ATOM 805 C LEU A 51 -13.889 3.143 4.593 1.00 65.24 C ATOM 806 O LEU A 51 -13.553 3.035 5.772 1.00 74.04 O ATOM 807 CB LEU A 51 -16.186 3.967 5.142 1.00 63.54 C ATOM 808 CG LEU A 51 -17.691 3.696 5.161 1.00 4.21 C ATOM 809 CD1 LEU A 51 -18.362 4.494 6.268 1.00 21.24 C ATOM 810 CD2 LEU A 51 -18.310 4.029 3.811 1.00 23.53 C ATOM 0 H LEU A 51 -16.178 1.390 3.291 1.00 70.53 H new ATOM 0 HA LEU A 51 -15.454 3.486 3.178 1.00 44.20 H new ATOM 0 HB2 LEU A 51 -15.800 3.834 6.153 1.00 63.54 H new ATOM 0 HB3 LEU A 51 -16.028 5.012 4.875 1.00 63.54 H new ATOM 0 HG LEU A 51 -17.848 2.636 5.358 1.00 4.21 H new ATOM 0 HD11 LEU A 51 -19.433 4.289 6.267 1.00 21.24 H new ATOM 0 HD12 LEU A 51 -17.939 4.208 7.231 1.00 21.24 H new ATOM 0 HD13 LEU A 51 -18.196 5.558 6.101 1.00 21.24 H new ATOM 0 HD21 LEU A 51 -19.381 3.830 3.843 1.00 23.53 H new ATOM 0 HD22 LEU A 51 -18.143 5.082 3.584 1.00 23.53 H new ATOM 0 HD23 LEU A 51 -17.850 3.414 3.038 1.00 23.53 H new ATOM 822 N GLU A 52 -13.016 3.305 3.603 1.00 2.20 N ATOM 823 CA GLU A 52 -11.581 3.367 3.854 1.00 64.44 C ATOM 824 C GLU A 52 -10.990 4.669 3.320 1.00 33.31 C ATOM 825 O GLU A 52 -9.795 4.927 3.467 1.00 55.04 O ATOM 826 CB GLU A 52 -10.876 2.172 3.207 1.00 30.14 C ATOM 827 CG GLU A 52 -11.421 0.827 3.658 1.00 11.11 C ATOM 828 CD GLU A 52 -10.772 0.334 4.937 1.00 74.42 C ATOM 829 OE1 GLU A 52 -9.530 0.409 5.040 1.00 33.11 O ATOM 830 OE2 GLU A 52 -11.508 -0.128 5.835 1.00 40.24 O ATOM 0 H GLU A 52 -13.277 3.396 2.621 1.00 2.20 H new ATOM 0 HA GLU A 52 -11.425 3.333 4.932 1.00 64.44 H new ATOM 0 HB2 GLU A 52 -10.970 2.248 2.124 1.00 30.14 H new ATOM 0 HB3 GLU A 52 -9.812 2.220 3.438 1.00 30.14 H new ATOM 0 HG2 GLU A 52 -12.498 0.907 3.809 1.00 11.11 H new ATOM 0 HG3 GLU A 52 -11.264 0.092 2.868 1.00 11.11 H new ATOM 837 N ASP A 53 -11.836 5.484 2.701 1.00 50.55 N ATOM 838 CA ASP A 53 -11.400 6.760 2.145 1.00 5.20 C ATOM 839 C ASP A 53 -10.691 7.600 3.203 1.00 22.34 C ATOM 840 O ASP A 53 -9.680 8.243 2.924 1.00 52.44 O ATOM 841 CB ASP A 53 -12.594 7.531 1.581 1.00 73.30 C ATOM 842 CG ASP A 53 -12.299 8.146 0.227 1.00 14.43 C ATOM 843 OD1 ASP A 53 -11.761 7.433 -0.644 1.00 25.51 O ATOM 844 OD2 ASP A 53 -12.607 9.342 0.039 1.00 3.44 O ATOM 0 H ASP A 53 -12.828 5.284 2.571 1.00 50.55 H new ATOM 0 HA ASP A 53 -10.697 6.554 1.338 1.00 5.20 H new ATOM 0 HB2 ASP A 53 -13.448 6.859 1.493 1.00 73.30 H new ATOM 0 HB3 ASP A 53 -12.878 8.318 2.280 1.00 73.30 H new ATOM 849 N GLU A 54 -11.229 7.588 4.419 1.00 51.21 N ATOM 850 CA GLU A 54 -10.649 8.350 5.518 1.00 5.40 C ATOM 851 C GLU A 54 -9.292 7.779 5.919 1.00 4.12 C ATOM 852 O GLU A 54 -8.470 8.467 6.526 1.00 32.32 O ATOM 853 CB GLU A 54 -11.591 8.349 6.723 1.00 33.22 C ATOM 854 CG GLU A 54 -11.941 9.740 7.224 1.00 34.10 C ATOM 855 CD GLU A 54 -11.360 10.030 8.594 1.00 34.13 C ATOM 856 OE1 GLU A 54 -11.630 9.249 9.531 1.00 44.31 O ATOM 857 OE2 GLU A 54 -10.636 11.038 8.729 1.00 2.25 O ATOM 0 H GLU A 54 -12.065 7.059 4.667 1.00 51.21 H new ATOM 0 HA GLU A 54 -10.507 9.376 5.179 1.00 5.40 H new ATOM 0 HB2 GLU A 54 -12.510 7.827 6.455 1.00 33.22 H new ATOM 0 HB3 GLU A 54 -11.129 7.786 7.534 1.00 33.22 H new ATOM 0 HG2 GLU A 54 -11.574 10.481 6.514 1.00 34.10 H new ATOM 0 HG3 GLU A 54 -13.025 9.846 7.263 1.00 34.10 H new ATOM 864 N LYS A 55 -9.063 6.516 5.576 1.00 33.01 N ATOM 865 CA LYS A 55 -7.807 5.850 5.899 1.00 41.14 C ATOM 866 C LYS A 55 -6.850 5.889 4.711 1.00 32.31 C ATOM 867 O LYS A 55 -6.141 4.919 4.442 1.00 51.14 O ATOM 868 CB LYS A 55 -8.066 4.399 6.311 1.00 0.44 C ATOM 869 CG LYS A 55 -8.490 4.246 7.762 1.00 53.33 C ATOM 870 CD LYS A 55 -9.961 4.579 7.951 1.00 61.44 C ATOM 871 CE LYS A 55 -10.642 3.585 8.879 1.00 73.44 C ATOM 872 NZ LYS A 55 -12.094 3.450 8.577 1.00 34.02 N ATOM 0 H LYS A 55 -9.732 5.932 5.074 1.00 33.01 H new ATOM 0 HA LYS A 55 -7.347 6.381 6.732 1.00 41.14 H new ATOM 0 HB2 LYS A 55 -8.841 3.980 5.669 1.00 0.44 H new ATOM 0 HB3 LYS A 55 -7.161 3.815 6.142 1.00 0.44 H new ATOM 0 HG2 LYS A 55 -8.302 3.224 8.091 1.00 53.33 H new ATOM 0 HG3 LYS A 55 -7.884 4.900 8.390 1.00 53.33 H new ATOM 0 HD2 LYS A 55 -10.058 5.585 8.359 1.00 61.44 H new ATOM 0 HD3 LYS A 55 -10.463 4.578 6.983 1.00 61.44 H new ATOM 0 HE2 LYS A 55 -10.160 2.612 8.786 1.00 73.44 H new ATOM 0 HE3 LYS A 55 -10.514 3.907 9.913 1.00 73.44 H new ATOM 0 HZ1 LYS A 55 -12.479 2.628 9.084 1.00 34.02 H new ATOM 0 HZ2 LYS A 55 -12.593 4.310 8.882 1.00 34.02 H new ATOM 0 HZ3 LYS A 55 -12.225 3.318 7.554 1.00 34.02 H new ATOM 886 N ARG A 56 -6.835 7.015 4.006 1.00 61.02 N ATOM 887 CA ARG A 56 -5.965 7.179 2.848 1.00 42.34 C ATOM 888 C ARG A 56 -4.535 6.759 3.177 1.00 15.13 C ATOM 889 O ARG A 56 -4.108 5.654 2.841 1.00 74.15 O ATOM 890 CB ARG A 56 -5.983 8.633 2.371 1.00 34.11 C ATOM 891 CG ARG A 56 -6.185 9.639 3.493 1.00 64.24 C ATOM 892 CD ARG A 56 -7.611 10.165 3.520 1.00 71.21 C ATOM 893 NE ARG A 56 -7.664 11.587 3.847 1.00 42.22 N ATOM 894 CZ ARG A 56 -7.574 12.061 5.085 1.00 61.34 C ATOM 895 NH1 ARG A 56 -7.427 11.229 6.107 1.00 52.21 N ATOM 896 NH2 ARG A 56 -7.630 13.368 5.302 1.00 53.52 N ATOM 0 H ARG A 56 -7.415 7.827 4.216 1.00 61.02 H new ATOM 0 HA ARG A 56 -6.340 6.537 2.051 1.00 42.34 H new ATOM 0 HB2 ARG A 56 -5.044 8.852 1.863 1.00 34.11 H new ATOM 0 HB3 ARG A 56 -6.779 8.756 1.636 1.00 34.11 H new ATOM 0 HG2 ARG A 56 -5.951 9.171 4.449 1.00 64.24 H new ATOM 0 HG3 ARG A 56 -5.492 10.471 3.367 1.00 64.24 H new ATOM 0 HD2 ARG A 56 -8.077 9.999 2.549 1.00 71.21 H new ATOM 0 HD3 ARG A 56 -8.191 9.603 4.252 1.00 71.21 H new ATOM 0 HE ARG A 56 -7.776 12.253 3.083 1.00 42.22 H new ATOM 0 HH11 ARG A 56 -7.383 10.223 5.943 1.00 52.21 H new ATOM 0 HH12 ARG A 56 -7.358 11.595 7.057 1.00 52.21 H new ATOM 0 HH21 ARG A 56 -7.742 14.011 4.518 1.00 53.52 H new ATOM 0 HH22 ARG A 56 -7.561 13.731 6.253 1.00 53.52 H new ATOM 910 N LEU A 57 -3.801 7.648 3.837 1.00 24.51 N ATOM 911 CA LEU A 57 -2.419 7.370 4.212 1.00 25.44 C ATOM 912 C LEU A 57 -2.342 6.183 5.168 1.00 42.03 C ATOM 913 O LEU A 57 -1.398 5.394 5.121 1.00 43.12 O ATOM 914 CB LEU A 57 -1.788 8.603 4.861 1.00 23.12 C ATOM 915 CG LEU A 57 -0.262 8.683 4.808 1.00 24.33 C ATOM 916 CD1 LEU A 57 0.205 10.115 5.015 1.00 45.25 C ATOM 917 CD2 LEU A 57 0.357 7.763 5.851 1.00 70.33 C ATOM 0 H LEU A 57 -4.139 8.567 4.123 1.00 24.51 H new ATOM 0 HA LEU A 57 -1.866 7.120 3.306 1.00 25.44 H new ATOM 0 HB2 LEU A 57 -2.195 9.491 4.378 1.00 23.12 H new ATOM 0 HB3 LEU A 57 -2.098 8.638 5.906 1.00 23.12 H new ATOM 0 HG LEU A 57 0.066 8.354 3.822 1.00 24.33 H new ATOM 0 HD11 LEU A 57 1.294 10.152 4.974 1.00 45.25 H new ATOM 0 HD12 LEU A 57 -0.209 10.750 4.232 1.00 45.25 H new ATOM 0 HD13 LEU A 57 -0.134 10.471 5.988 1.00 45.25 H new ATOM 0 HD21 LEU A 57 1.444 7.833 5.799 1.00 70.33 H new ATOM 0 HD22 LEU A 57 0.021 8.061 6.844 1.00 70.33 H new ATOM 0 HD23 LEU A 57 0.050 6.735 5.658 1.00 70.33 H new ATOM 929 N LYS A 58 -3.343 6.061 6.033 1.00 43.00 N ATOM 930 CA LYS A 58 -3.392 4.969 6.998 1.00 61.12 C ATOM 931 C LYS A 58 -3.366 3.617 6.291 1.00 0.34 C ATOM 932 O LYS A 58 -2.928 2.617 6.860 1.00 10.24 O ATOM 933 CB LYS A 58 -4.650 5.081 7.862 1.00 60.31 C ATOM 934 CG LYS A 58 -4.358 5.296 9.337 1.00 63.32 C ATOM 935 CD LYS A 58 -4.795 4.104 10.171 1.00 31.35 C ATOM 936 CE LYS A 58 -4.129 4.106 11.539 1.00 41.22 C ATOM 937 NZ LYS A 58 -4.406 2.853 12.293 1.00 32.33 N ATOM 0 H LYS A 58 -4.132 6.705 6.086 1.00 43.00 H new ATOM 0 HA LYS A 58 -2.512 5.042 7.637 1.00 61.12 H new ATOM 0 HB2 LYS A 58 -5.259 5.908 7.497 1.00 60.31 H new ATOM 0 HB3 LYS A 58 -5.242 4.173 7.746 1.00 60.31 H new ATOM 0 HG2 LYS A 58 -3.291 5.467 9.476 1.00 63.32 H new ATOM 0 HG3 LYS A 58 -4.872 6.192 9.684 1.00 63.32 H new ATOM 0 HD2 LYS A 58 -5.878 4.121 10.293 1.00 31.35 H new ATOM 0 HD3 LYS A 58 -4.548 3.181 9.646 1.00 31.35 H new ATOM 0 HE2 LYS A 58 -3.052 4.227 11.418 1.00 41.22 H new ATOM 0 HE3 LYS A 58 -4.483 4.962 12.114 1.00 41.22 H new ATOM 0 HZ1 LYS A 58 -3.935 2.894 13.219 1.00 32.33 H new ATOM 0 HZ2 LYS A 58 -5.432 2.750 12.431 1.00 32.33 H new ATOM 0 HZ3 LYS A 58 -4.045 2.038 11.757 1.00 32.33 H new ATOM 951 N ASP A 59 -3.836 3.595 5.049 1.00 11.12 N ATOM 952 CA ASP A 59 -3.864 2.366 4.264 1.00 13.51 C ATOM 953 C ASP A 59 -2.506 2.100 3.622 1.00 12.34 C ATOM 954 O ASP A 59 -2.233 0.992 3.160 1.00 0.24 O ATOM 955 CB ASP A 59 -4.945 2.450 3.185 1.00 44.33 C ATOM 956 CG ASP A 59 -6.247 1.806 3.618 1.00 63.45 C ATOM 957 OD1 ASP A 59 -6.569 1.869 4.823 1.00 64.43 O ATOM 958 OD2 ASP A 59 -6.944 1.239 2.751 1.00 73.31 O ATOM 0 H ASP A 59 -4.203 4.414 4.564 1.00 11.12 H new ATOM 0 HA ASP A 59 -4.096 1.540 4.936 1.00 13.51 H new ATOM 0 HB2 ASP A 59 -5.125 3.496 2.936 1.00 44.33 H new ATOM 0 HB3 ASP A 59 -4.587 1.964 2.278 1.00 44.33 H new ATOM 963 N TYR A 60 -1.659 3.123 3.596 1.00 14.43 N ATOM 964 CA TYR A 60 -0.331 3.001 3.008 1.00 41.31 C ATOM 965 C TYR A 60 0.602 2.218 3.927 1.00 72.14 C ATOM 966 O TYR A 60 1.638 1.716 3.493 1.00 25.25 O ATOM 967 CB TYR A 60 0.255 4.386 2.728 1.00 3.12 C ATOM 968 CG TYR A 60 1.609 4.346 2.056 1.00 52.24 C ATOM 969 CD1 TYR A 60 1.747 3.871 0.757 1.00 1.01 C ATOM 970 CD2 TYR A 60 2.749 4.782 2.718 1.00 2.43 C ATOM 971 CE1 TYR A 60 2.982 3.832 0.139 1.00 72.15 C ATOM 972 CE2 TYR A 60 3.988 4.748 2.107 1.00 14.32 C ATOM 973 CZ TYR A 60 4.099 4.272 0.817 1.00 12.15 C ATOM 974 OH TYR A 60 5.331 4.235 0.206 1.00 51.23 O ATOM 0 H TYR A 60 -1.869 4.046 3.976 1.00 14.43 H new ATOM 0 HA TYR A 60 -0.426 2.457 2.068 1.00 41.31 H new ATOM 0 HB2 TYR A 60 -0.438 4.944 2.098 1.00 3.12 H new ATOM 0 HB3 TYR A 60 0.341 4.932 3.668 1.00 3.12 H new ATOM 0 HD1 TYR A 60 0.874 3.527 0.222 1.00 1.01 H new ATOM 0 HD2 TYR A 60 2.666 5.154 3.728 1.00 2.43 H new ATOM 0 HE1 TYR A 60 3.072 3.459 -0.870 1.00 72.15 H new ATOM 0 HE2 TYR A 60 4.864 5.092 2.636 1.00 14.32 H new ATOM 0 HH TYR A 60 6.011 4.582 0.820 1.00 51.23 H new ATOM 984 N GLN A 61 0.224 2.118 5.197 1.00 40.30 N ATOM 985 CA GLN A 61 1.026 1.396 6.178 1.00 41.35 C ATOM 986 C GLN A 61 0.753 -0.103 6.107 1.00 44.54 C ATOM 987 O GLN A 61 1.330 -0.884 6.862 1.00 70.40 O ATOM 988 CB GLN A 61 0.734 1.914 7.587 1.00 20.31 C ATOM 989 CG GLN A 61 1.888 2.690 8.202 1.00 73.34 C ATOM 990 CD GLN A 61 1.976 4.112 7.684 1.00 32.10 C ATOM 991 OE1 GLN A 61 2.387 4.347 6.547 1.00 30.23 O ATOM 992 NE2 GLN A 61 1.589 5.070 8.517 1.00 11.55 N ATOM 0 H GLN A 61 -0.632 2.528 5.571 1.00 40.30 H new ATOM 0 HA GLN A 61 2.078 1.566 5.947 1.00 41.35 H new ATOM 0 HB2 GLN A 61 -0.147 2.555 7.554 1.00 20.31 H new ATOM 0 HB3 GLN A 61 0.490 1.070 8.232 1.00 20.31 H new ATOM 0 HG2 GLN A 61 1.772 2.709 9.286 1.00 73.34 H new ATOM 0 HG3 GLN A 61 2.823 2.172 7.990 1.00 73.34 H new ATOM 0 HE21 GLN A 61 1.255 4.830 9.450 1.00 11.55 H new ATOM 0 HE22 GLN A 61 1.625 6.046 8.224 1.00 11.55 H new ATOM 1001 N MET A 62 -0.130 -0.496 5.194 1.00 5.24 N ATOM 1002 CA MET A 62 -0.478 -1.902 5.025 1.00 42.32 C ATOM 1003 C MET A 62 0.458 -2.577 4.028 1.00 65.31 C ATOM 1004 O MET A 62 1.265 -3.430 4.399 1.00 35.30 O ATOM 1005 CB MET A 62 -1.927 -2.037 4.553 1.00 10.15 C ATOM 1006 CG MET A 62 -2.894 -1.126 5.292 1.00 2.31 C ATOM 1007 SD MET A 62 -3.017 -1.521 7.047 1.00 14.31 S ATOM 1008 CE MET A 62 -2.059 -0.187 7.763 1.00 74.24 C ATOM 0 H MET A 62 -0.617 0.139 4.561 1.00 5.24 H new ATOM 0 HA MET A 62 -0.370 -2.396 5.990 1.00 42.32 H new ATOM 0 HB2 MET A 62 -1.975 -1.816 3.487 1.00 10.15 H new ATOM 0 HB3 MET A 62 -2.247 -3.071 4.679 1.00 10.15 H new ATOM 0 HG2 MET A 62 -2.571 -0.091 5.178 1.00 2.31 H new ATOM 0 HG3 MET A 62 -3.881 -1.204 4.836 1.00 2.31 H new ATOM 0 HE1 MET A 62 -1.178 -0.596 8.258 1.00 74.24 H new ATOM 0 HE2 MET A 62 -1.747 0.500 6.976 1.00 74.24 H new ATOM 0 HE3 MET A 62 -2.668 0.348 8.491 1.00 74.24 H new ATOM 1018 N SER A 63 0.346 -2.190 2.761 1.00 31.52 N ATOM 1019 CA SER A 63 1.180 -2.762 1.710 1.00 32.14 C ATOM 1020 C SER A 63 1.016 -4.278 1.652 1.00 44.15 C ATOM 1021 O SER A 63 1.912 -4.993 1.202 1.00 11.35 O ATOM 1022 CB SER A 63 2.649 -2.405 1.945 1.00 52.12 C ATOM 1023 OG SER A 63 2.786 -1.057 2.361 1.00 33.32 O ATOM 0 H SER A 63 -0.314 -1.483 2.438 1.00 31.52 H new ATOM 0 HA SER A 63 0.860 -2.342 0.756 1.00 32.14 H new ATOM 0 HB2 SER A 63 3.071 -3.067 2.701 1.00 52.12 H new ATOM 0 HB3 SER A 63 3.217 -2.566 1.028 1.00 52.12 H new ATOM 0 HG SER A 63 3.734 -0.854 2.506 1.00 33.32 H new ATOM 1029 N ALA A 64 -0.134 -4.761 2.109 1.00 52.12 N ATOM 1030 CA ALA A 64 -0.417 -6.191 2.107 1.00 51.21 C ATOM 1031 C ALA A 64 -1.821 -6.473 2.630 1.00 31.35 C ATOM 1032 O ALA A 64 -2.020 -7.370 3.449 1.00 73.35 O ATOM 1033 CB ALA A 64 0.618 -6.935 2.938 1.00 52.41 C ATOM 0 H ALA A 64 -0.885 -4.183 2.486 1.00 52.12 H new ATOM 0 HA ALA A 64 -0.363 -6.546 1.078 1.00 51.21 H new ATOM 0 HB1 ALA A 64 0.394 -8.002 2.928 1.00 52.41 H new ATOM 0 HB2 ALA A 64 1.610 -6.768 2.518 1.00 52.41 H new ATOM 0 HB3 ALA A 64 0.592 -6.569 3.964 1.00 52.41 H new ATOM 1039 N GLY A 65 -2.792 -5.701 2.153 1.00 15.35 N ATOM 1040 CA GLY A 65 -4.166 -5.884 2.586 1.00 43.52 C ATOM 1041 C GLY A 65 -5.102 -6.180 1.431 1.00 33.15 C ATOM 1042 O GLY A 65 -5.252 -5.367 0.520 1.00 43.10 O ATOM 0 H GLY A 65 -2.653 -4.952 1.475 1.00 15.35 H new ATOM 0 HA2 GLY A 65 -4.211 -6.702 3.305 1.00 43.52 H new ATOM 0 HA3 GLY A 65 -4.504 -4.986 3.103 1.00 43.52 H new ATOM 1046 N ALA A 66 -5.734 -7.349 1.469 1.00 3.10 N ATOM 1047 CA ALA A 66 -6.661 -7.751 0.418 1.00 3.43 C ATOM 1048 C ALA A 66 -7.848 -6.797 0.340 1.00 35.53 C ATOM 1049 O ALA A 66 -8.425 -6.422 1.362 1.00 53.14 O ATOM 1050 CB ALA A 66 -7.139 -9.176 0.653 1.00 15.53 C ATOM 0 H ALA A 66 -5.621 -8.034 2.216 1.00 3.10 H new ATOM 0 HA ALA A 66 -6.133 -7.710 -0.535 1.00 3.43 H new ATOM 0 HB1 ALA A 66 -7.831 -9.463 -0.139 1.00 15.53 H new ATOM 0 HB2 ALA A 66 -6.284 -9.852 0.651 1.00 15.53 H new ATOM 0 HB3 ALA A 66 -7.646 -9.236 1.616 1.00 15.53 H new ATOM 1056 N THR A 67 -8.210 -6.408 -0.878 1.00 41.04 N ATOM 1057 CA THR A 67 -9.328 -5.497 -1.089 1.00 62.05 C ATOM 1058 C THR A 67 -10.366 -6.108 -2.024 1.00 45.54 C ATOM 1059 O THR A 67 -10.020 -6.756 -3.012 1.00 75.42 O ATOM 1060 CB THR A 67 -8.854 -4.153 -1.674 1.00 54.20 C ATOM 1061 OG1 THR A 67 -7.438 -4.180 -1.881 1.00 61.43 O ATOM 1062 CG2 THR A 67 -9.214 -3.002 -0.746 1.00 21.52 C ATOM 0 H THR A 67 -7.745 -6.710 -1.734 1.00 41.04 H new ATOM 0 HA THR A 67 -9.781 -5.321 -0.113 1.00 62.05 H new ATOM 0 HB THR A 67 -9.357 -4.001 -2.629 1.00 54.20 H new ATOM 0 HG1 THR A 67 -7.204 -4.950 -2.440 1.00 61.43 H new ATOM 0 HG21 THR A 67 -8.869 -2.063 -1.180 1.00 21.52 H new ATOM 0 HG22 THR A 67 -10.295 -2.965 -0.614 1.00 21.52 H new ATOM 0 HG23 THR A 67 -8.735 -3.152 0.222 1.00 21.52 H new ATOM 1070 N PHE A 68 -11.638 -5.895 -1.707 1.00 75.23 N ATOM 1071 CA PHE A 68 -12.727 -6.425 -2.520 1.00 33.34 C ATOM 1072 C PHE A 68 -13.744 -5.335 -2.844 1.00 73.04 C ATOM 1073 O PHE A 68 -14.427 -4.823 -1.957 1.00 0.33 O ATOM 1074 CB PHE A 68 -13.417 -7.582 -1.793 1.00 53.05 C ATOM 1075 CG PHE A 68 -14.704 -8.012 -2.438 1.00 12.23 C ATOM 1076 CD1 PHE A 68 -15.901 -7.401 -2.100 1.00 51.45 C ATOM 1077 CD2 PHE A 68 -14.717 -9.027 -3.380 1.00 71.42 C ATOM 1078 CE1 PHE A 68 -17.087 -7.793 -2.692 1.00 32.53 C ATOM 1079 CE2 PHE A 68 -15.900 -9.424 -3.975 1.00 21.10 C ATOM 1080 CZ PHE A 68 -17.086 -8.807 -3.629 1.00 75.34 C ATOM 0 H PHE A 68 -11.941 -5.359 -0.893 1.00 75.23 H new ATOM 0 HA PHE A 68 -12.304 -6.792 -3.455 1.00 33.34 H new ATOM 0 HB2 PHE A 68 -12.737 -8.433 -1.754 1.00 53.05 H new ATOM 0 HB3 PHE A 68 -13.617 -7.286 -0.763 1.00 53.05 H new ATOM 0 HD1 PHE A 68 -15.907 -6.609 -1.365 1.00 51.45 H new ATOM 0 HD2 PHE A 68 -13.792 -9.514 -3.653 1.00 71.42 H new ATOM 0 HE1 PHE A 68 -18.013 -7.307 -2.422 1.00 32.53 H new ATOM 0 HE2 PHE A 68 -15.897 -10.216 -4.710 1.00 21.10 H new ATOM 0 HZ PHE A 68 -18.012 -9.117 -4.091 1.00 75.34 H new ATOM 1090 N HIS A 69 -13.839 -4.984 -4.123 1.00 71.51 N ATOM 1091 CA HIS A 69 -14.772 -3.955 -4.566 1.00 53.14 C ATOM 1092 C HIS A 69 -16.126 -4.564 -4.920 1.00 65.24 C ATOM 1093 O HIS A 69 -16.199 -5.681 -5.432 1.00 32.13 O ATOM 1094 CB HIS A 69 -14.205 -3.208 -5.774 1.00 2.13 C ATOM 1095 CG HIS A 69 -12.965 -2.426 -5.466 1.00 12.34 C ATOM 1096 ND1 HIS A 69 -12.756 -1.139 -5.915 1.00 12.12 N ATOM 1097 CD2 HIS A 69 -11.867 -2.755 -4.747 1.00 5.22 C ATOM 1098 CE1 HIS A 69 -11.582 -0.711 -5.487 1.00 42.11 C ATOM 1099 NE2 HIS A 69 -11.022 -1.673 -4.775 1.00 41.55 N ATOM 0 H HIS A 69 -13.281 -5.397 -4.870 1.00 71.51 H new ATOM 0 HA HIS A 69 -14.913 -3.251 -3.746 1.00 53.14 H new ATOM 0 HB2 HIS A 69 -13.985 -3.926 -6.564 1.00 2.13 H new ATOM 0 HB3 HIS A 69 -14.965 -2.530 -6.161 1.00 2.13 H new ATOM 0 HD1 HIS A 69 -13.406 -0.602 -6.488 1.00 12.12 H new ATOM 0 HD2 HIS A 69 -11.688 -3.694 -4.244 1.00 5.22 H new ATOM 0 HE1 HIS A 69 -11.153 0.260 -5.685 1.00 42.11 H new ATOM 1107 N MET A 70 -17.193 -3.823 -4.644 1.00 14.11 N ATOM 1108 CA MET A 70 -18.544 -4.291 -4.934 1.00 2.21 C ATOM 1109 C MET A 70 -19.325 -3.243 -5.721 1.00 21.22 C ATOM 1110 O MET A 70 -19.346 -2.067 -5.357 1.00 31.31 O ATOM 1111 CB MET A 70 -19.281 -4.624 -3.635 1.00 62.44 C ATOM 1112 CG MET A 70 -20.766 -4.883 -3.829 1.00 31.41 C ATOM 1113 SD MET A 70 -21.403 -6.145 -2.709 1.00 61.12 S ATOM 1114 CE MET A 70 -23.165 -5.983 -2.984 1.00 34.13 C ATOM 0 H MET A 70 -17.149 -2.896 -4.220 1.00 14.11 H new ATOM 0 HA MET A 70 -18.467 -5.193 -5.541 1.00 2.21 H new ATOM 0 HB2 MET A 70 -18.823 -5.503 -3.182 1.00 62.44 H new ATOM 0 HB3 MET A 70 -19.153 -3.800 -2.933 1.00 62.44 H new ATOM 0 HG2 MET A 70 -21.316 -3.955 -3.675 1.00 31.41 H new ATOM 0 HG3 MET A 70 -20.945 -5.192 -4.859 1.00 31.41 H new ATOM 0 HE1 MET A 70 -23.698 -6.700 -2.360 1.00 34.13 H new ATOM 0 HE2 MET A 70 -23.482 -4.972 -2.727 1.00 34.13 H new ATOM 0 HE3 MET A 70 -23.389 -6.178 -4.033 1.00 34.13 H new ATOM 1124 N VAL A 71 -19.966 -3.677 -6.801 1.00 62.44 N ATOM 1125 CA VAL A 71 -20.749 -2.777 -7.639 1.00 41.12 C ATOM 1126 C VAL A 71 -22.172 -3.292 -7.819 1.00 35.13 C ATOM 1127 O VAL A 71 -22.400 -4.300 -8.489 1.00 1.45 O ATOM 1128 CB VAL A 71 -20.102 -2.595 -9.025 1.00 61.01 C ATOM 1129 CG1 VAL A 71 -19.798 -3.946 -9.654 1.00 72.23 C ATOM 1130 CG2 VAL A 71 -21.003 -1.767 -9.929 1.00 32.42 C ATOM 0 H VAL A 71 -19.958 -4.647 -7.116 1.00 62.44 H new ATOM 0 HA VAL A 71 -20.776 -1.814 -7.129 1.00 41.12 H new ATOM 0 HB VAL A 71 -19.161 -2.060 -8.900 1.00 61.01 H new ATOM 0 HG11 VAL A 71 -19.341 -3.797 -10.633 1.00 72.23 H new ATOM 0 HG12 VAL A 71 -19.111 -4.499 -9.013 1.00 72.23 H new ATOM 0 HG13 VAL A 71 -20.723 -4.511 -9.767 1.00 72.23 H new ATOM 0 HG21 VAL A 71 -20.530 -1.648 -10.904 1.00 32.42 H new ATOM 0 HG22 VAL A 71 -21.961 -2.273 -10.049 1.00 32.42 H new ATOM 0 HG23 VAL A 71 -21.164 -0.786 -9.482 1.00 32.42 H new ATOM 1140 N VAL A 72 -23.129 -2.593 -7.216 1.00 32.43 N ATOM 1141 CA VAL A 72 -24.532 -2.979 -7.310 1.00 12.31 C ATOM 1142 C VAL A 72 -25.218 -2.275 -8.476 1.00 32.44 C ATOM 1143 O VAL A 72 -25.529 -1.087 -8.401 1.00 2.02 O ATOM 1144 CB VAL A 72 -25.292 -2.654 -6.010 1.00 21.20 C ATOM 1145 CG1 VAL A 72 -26.501 -3.564 -5.857 1.00 15.21 C ATOM 1146 CG2 VAL A 72 -24.367 -2.776 -4.808 1.00 72.43 C ATOM 0 H VAL A 72 -22.958 -1.757 -6.657 1.00 32.43 H new ATOM 0 HA VAL A 72 -24.554 -4.056 -7.475 1.00 12.31 H new ATOM 0 HB VAL A 72 -25.646 -1.625 -6.064 1.00 21.20 H new ATOM 0 HG11 VAL A 72 -27.026 -3.320 -4.933 1.00 15.21 H new ATOM 0 HG12 VAL A 72 -27.172 -3.422 -6.704 1.00 15.21 H new ATOM 0 HG13 VAL A 72 -26.173 -4.603 -5.824 1.00 15.21 H new ATOM 0 HG21 VAL A 72 -24.920 -2.543 -3.898 1.00 72.43 H new ATOM 0 HG22 VAL A 72 -23.981 -3.794 -4.748 1.00 72.43 H new ATOM 0 HG23 VAL A 72 -23.536 -2.079 -4.916 1.00 72.43 H new ATOM 1156 N ALA A 73 -25.452 -3.018 -9.553 1.00 33.03 N ATOM 1157 CA ALA A 73 -26.104 -2.466 -10.734 1.00 31.40 C ATOM 1158 C ALA A 73 -27.371 -3.243 -11.075 1.00 32.31 C ATOM 1159 O ALA A 73 -27.317 -4.280 -11.738 1.00 23.01 O ATOM 1160 CB ALA A 73 -25.146 -2.471 -11.916 1.00 0.31 C ATOM 0 H ALA A 73 -25.200 -4.003 -9.632 1.00 33.03 H new ATOM 0 HA ALA A 73 -26.388 -1.437 -10.514 1.00 31.40 H new ATOM 0 HB1 ALA A 73 -25.646 -2.056 -12.791 1.00 0.31 H new ATOM 0 HB2 ALA A 73 -24.271 -1.867 -11.678 1.00 0.31 H new ATOM 0 HB3 ALA A 73 -24.834 -3.494 -12.127 1.00 0.31 H new ATOM 1166 N LEU A 74 -28.511 -2.737 -10.618 1.00 0.05 N ATOM 1167 CA LEU A 74 -29.793 -3.384 -10.874 1.00 31.23 C ATOM 1168 C LEU A 74 -30.688 -2.499 -11.735 1.00 43.41 C ATOM 1169 O LEU A 74 -31.227 -2.943 -12.748 1.00 74.23 O ATOM 1170 CB LEU A 74 -30.496 -3.709 -9.554 1.00 44.42 C ATOM 1171 CG LEU A 74 -29.648 -4.422 -8.500 1.00 72.13 C ATOM 1172 CD1 LEU A 74 -29.597 -3.609 -7.216 1.00 52.22 C ATOM 1173 CD2 LEU A 74 -30.196 -5.816 -8.230 1.00 1.24 C ATOM 0 H LEU A 74 -28.574 -1.880 -10.068 1.00 0.05 H new ATOM 0 HA LEU A 74 -29.602 -4.311 -11.415 1.00 31.23 H new ATOM 0 HB2 LEU A 74 -30.867 -2.779 -9.124 1.00 44.42 H new ATOM 0 HB3 LEU A 74 -31.366 -4.329 -9.772 1.00 44.42 H new ATOM 0 HG LEU A 74 -28.632 -4.520 -8.883 1.00 72.13 H new ATOM 0 HD11 LEU A 74 -28.989 -4.132 -6.478 1.00 52.22 H new ATOM 0 HD12 LEU A 74 -29.158 -2.632 -7.421 1.00 52.22 H new ATOM 0 HD13 LEU A 74 -30.607 -3.479 -6.828 1.00 52.22 H new ATOM 0 HD21 LEU A 74 -29.581 -6.309 -7.478 1.00 1.24 H new ATOM 0 HD22 LEU A 74 -31.221 -5.740 -7.868 1.00 1.24 H new ATOM 0 HD23 LEU A 74 -30.179 -6.398 -9.151 1.00 1.24 H new ATOM 1185 N ARG A 75 -30.838 -1.243 -11.326 1.00 74.02 N ATOM 1186 CA ARG A 75 -31.667 -0.294 -12.061 1.00 64.50 C ATOM 1187 C ARG A 75 -33.074 -0.847 -12.267 1.00 21.11 C ATOM 1188 O ARG A 75 -33.409 -1.921 -11.769 1.00 24.43 O ATOM 1189 CB ARG A 75 -31.031 0.028 -13.415 1.00 1.45 C ATOM 1190 CG ARG A 75 -29.846 0.975 -13.320 1.00 44.14 C ATOM 1191 CD ARG A 75 -30.273 2.359 -12.856 1.00 71.24 C ATOM 1192 NE ARG A 75 -29.761 3.411 -13.729 1.00 45.43 N ATOM 1193 CZ ARG A 75 -29.781 4.702 -13.415 1.00 34.10 C ATOM 1194 NH1 ARG A 75 -30.286 5.097 -12.254 1.00 74.24 N ATOM 1195 NH2 ARG A 75 -29.296 5.600 -14.262 1.00 41.32 N ATOM 0 H ARG A 75 -30.397 -0.859 -10.490 1.00 74.02 H new ATOM 0 HA ARG A 75 -31.737 0.621 -11.473 1.00 64.50 H new ATOM 0 HB2 ARG A 75 -30.707 -0.901 -13.885 1.00 1.45 H new ATOM 0 HB3 ARG A 75 -31.786 0.468 -14.066 1.00 1.45 H new ATOM 0 HG2 ARG A 75 -29.109 0.569 -12.627 1.00 44.14 H new ATOM 0 HG3 ARG A 75 -29.360 1.050 -14.293 1.00 44.14 H new ATOM 0 HD2 ARG A 75 -31.361 2.411 -12.825 1.00 71.24 H new ATOM 0 HD3 ARG A 75 -29.917 2.526 -11.839 1.00 71.24 H new ATOM 0 HE ARG A 75 -29.366 3.140 -14.630 1.00 45.43 H new ATOM 0 HH11 ARG A 75 -30.660 4.409 -11.600 1.00 74.24 H new ATOM 0 HH12 ARG A 75 -30.300 6.088 -12.015 1.00 74.24 H new ATOM 0 HH21 ARG A 75 -28.907 5.300 -15.156 1.00 41.32 H new ATOM 0 HH22 ARG A 75 -29.312 6.591 -14.020 1.00 41.32 H new ATOM 1209 N ALA A 76 -33.894 -0.104 -13.004 1.00 23.54 N ATOM 1210 CA ALA A 76 -35.264 -0.521 -13.276 1.00 42.54 C ATOM 1211 C ALA A 76 -35.799 0.147 -14.538 1.00 53.24 C ATOM 1212 O ALA A 76 -35.053 0.787 -15.278 1.00 52.22 O ATOM 1213 CB ALA A 76 -36.159 -0.202 -12.088 1.00 3.20 C ATOM 0 H ALA A 76 -33.633 0.789 -13.423 1.00 23.54 H new ATOM 0 HA ALA A 76 -35.265 -1.599 -13.438 1.00 42.54 H new ATOM 0 HB1 ALA A 76 -37.179 -0.519 -12.305 1.00 3.20 H new ATOM 0 HB2 ALA A 76 -35.795 -0.730 -11.206 1.00 3.20 H new ATOM 0 HB3 ALA A 76 -36.145 0.872 -11.900 1.00 3.20 H new ATOM 1219 N GLY A 77 -37.098 -0.007 -14.779 1.00 20.12 N ATOM 1220 CA GLY A 77 -37.711 0.586 -15.953 1.00 43.10 C ATOM 1221 C GLY A 77 -38.098 -0.449 -16.991 1.00 5.14 C ATOM 1222 O GLY A 77 -37.658 -0.380 -18.139 1.00 73.52 O ATOM 0 H GLY A 77 -37.737 -0.532 -14.182 1.00 20.12 H new ATOM 0 HA2 GLY A 77 -38.598 1.144 -15.653 1.00 43.10 H new ATOM 0 HA3 GLY A 77 -37.019 1.301 -16.398 1.00 43.10 H new ATOM 1226 N CYS A 78 -38.920 -1.411 -16.586 1.00 41.45 N ATOM 1227 CA CYS A 78 -39.364 -2.467 -17.490 1.00 0.55 C ATOM 1228 C CYS A 78 -38.181 -3.291 -17.986 1.00 5.31 C ATOM 1229 O CYS A 78 -38.305 -4.491 -18.228 1.00 13.32 O ATOM 1230 CB CYS A 78 -40.117 -1.867 -18.678 1.00 14.34 C ATOM 1231 SG CYS A 78 -41.609 -2.777 -19.142 1.00 30.25 S ATOM 0 H CYS A 78 -39.292 -1.482 -15.639 1.00 41.45 H new ATOM 0 HA CYS A 78 -40.036 -3.125 -16.938 1.00 0.55 H new ATOM 0 HB2 CYS A 78 -40.391 -0.839 -18.439 1.00 14.34 H new ATOM 0 HB3 CYS A 78 -39.447 -1.827 -19.537 1.00 14.34 H new ATOM 0 HG CYS A 78 -42.177 -2.192 -20.154 1.00 30.25 H new TER 1237 CYS A 78