USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 894 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 111 SER OG : rot 50:sc= 2.07 USER MOD Set 1.2: A 114 TYR OH : rot 180:sc= 0.021 USER MOD Set 2.1: A 34 ASN : amide:sc= -1.37 K(o=-1.9,f=1.1) USER MOD Set 2.2: A 38 LYS NZ :NH3+ 140:sc= -0.543 (180deg=0.942) USER MOD Set 3.1: A 16 THR OG1 : rot 116:sc= 0.627 USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.168 (180deg=-0.354) USER MOD Single : A 2 HIS : no HD1:sc= 0.344 K(o=0.34,f=-3.9!) USER MOD Single : A 3 HIS : no HE2:sc= 0.162 K(o=0.16,f=-7.4!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-3.2!) USER MOD Single : A 6 HIS : no HD1:sc= 0.712 K(o=0.71,f=-3.1!) USER MOD Single : A 7 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.5!) USER MOD Single : A 11 GLN : amide:sc= -0.255 X(o=-0.26,f=-0.64) USER MOD Single : A 15 LYS NZ :NH3+ 156:sc= -0.0396 (180deg=-0.33) USER MOD Single : A 20 LYS NZ :NH3+ -107:sc= 0.00722 (180deg=-0.95) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 23 THR OG1 : rot -77:sc= 1.73 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 172:sc= 0.0999 (180deg=0.0824) USER MOD Single : A 37 SER OG : rot 80:sc= -0.724 USER MOD Single : A 40 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.12) USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= 0.345 (180deg=0.144) USER MOD Single : A 49 GLN : amide:sc= -0.118 K(o=-0.12,f=-3.1!) USER MOD Single : A 50 GLN : amide:sc= -10.7! C(o=-11!,f=-15!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.067) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 66 SER OG : rot 3:sc= 0.532 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.75 K(o=0.75,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 73:sc= 0.706 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-2.5!) USER MOD Single : A 86 SER OG : rot 17:sc= 0.679 USER MOD Single : A 87 MET CE :methyl 168:sc= -0.0098 (180deg=-0.346) USER MOD Single : A 99 LYS NZ :NH3+ 161:sc= -0.151 (180deg=-0.395) USER MOD Single : A 104 SER OG : rot -37:sc= 0.355 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 75:sc= 1.07 USER MOD Single : A 110 ASN : amide:sc= 0.0372 X(o=0.037,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 111.872 -13.541 -5.745 1.00 0.00 N ATOM 2 CA MET A 1 112.652 -14.791 -5.980 1.00 0.00 C ATOM 3 C MET A 1 111.696 -15.977 -6.070 1.00 0.00 C ATOM 4 O MET A 1 112.116 -17.131 -5.971 1.00 0.00 O ATOM 5 CB MET A 1 113.639 -14.993 -4.823 1.00 0.00 C ATOM 6 CG MET A 1 114.821 -15.847 -5.289 1.00 0.00 C ATOM 7 SD MET A 1 116.258 -15.511 -4.241 1.00 0.00 S ATOM 8 CE MET A 1 116.936 -14.138 -5.208 1.00 0.00 C ATOM 0 H1 MET A 1 112.520 -12.771 -5.482 1.00 0.00 H new ATOM 0 H2 MET A 1 111.361 -13.282 -6.613 1.00 0.00 H new ATOM 0 H3 MET A 1 111.190 -13.697 -4.975 1.00 0.00 H new ATOM 0 HA MET A 1 113.207 -14.713 -6.915 1.00 0.00 H new ATOM 0 HB2 MET A 1 113.996 -14.027 -4.465 1.00 0.00 H new ATOM 0 HB3 MET A 1 113.137 -15.478 -3.986 1.00 0.00 H new ATOM 0 HG2 MET A 1 114.561 -16.904 -5.240 1.00 0.00 H new ATOM 0 HG3 MET A 1 115.056 -15.624 -6.330 1.00 0.00 H new ATOM 0 HE1 MET A 1 117.845 -13.771 -4.731 1.00 0.00 H new ATOM 0 HE2 MET A 1 117.169 -14.483 -6.216 1.00 0.00 H new ATOM 0 HE3 MET A 1 116.203 -13.333 -5.260 1.00 0.00 H new ATOM 20 N HIS A 2 110.408 -15.687 -6.257 1.00 0.00 N ATOM 21 CA HIS A 2 109.393 -16.734 -6.357 1.00 0.00 C ATOM 22 C HIS A 2 109.351 -17.562 -5.071 1.00 0.00 C ATOM 23 O HIS A 2 109.686 -17.063 -3.995 1.00 0.00 O ATOM 24 CB HIS A 2 109.687 -17.641 -7.561 1.00 0.00 C ATOM 25 CG HIS A 2 108.398 -18.006 -8.248 1.00 0.00 C ATOM 26 ND1 HIS A 2 107.365 -18.657 -7.589 1.00 0.00 N ATOM 27 CD2 HIS A 2 107.961 -17.820 -9.536 1.00 0.00 C ATOM 28 CE1 HIS A 2 106.369 -18.836 -8.476 1.00 0.00 C ATOM 29 NE2 HIS A 2 106.681 -18.346 -9.678 1.00 0.00 N ATOM 0 H HIS A 2 110.044 -14.738 -6.342 1.00 0.00 H new ATOM 0 HA HIS A 2 108.420 -16.263 -6.499 1.00 0.00 H new ATOM 0 HB2 HIS A 2 110.351 -17.131 -8.259 1.00 0.00 H new ATOM 0 HB3 HIS A 2 110.203 -18.543 -7.232 1.00 0.00 H new ATOM 0 HD2 HIS A 2 108.526 -17.338 -10.320 1.00 0.00 H new ATOM 0 HE1 HIS A 2 105.431 -19.318 -8.244 1.00 0.00 H new ATOM 0 HE2 HIS A 2 106.105 -18.355 -10.520 1.00 0.00 H new ATOM 37 N HIS A 3 108.937 -18.824 -5.190 1.00 0.00 N ATOM 38 CA HIS A 3 108.849 -19.715 -4.034 1.00 0.00 C ATOM 39 C HIS A 3 107.907 -19.138 -2.977 1.00 0.00 C ATOM 40 O HIS A 3 107.252 -18.119 -3.206 1.00 0.00 O ATOM 41 CB HIS A 3 110.240 -19.933 -3.424 1.00 0.00 C ATOM 42 CG HIS A 3 111.171 -20.475 -4.476 1.00 0.00 C ATOM 43 ND1 HIS A 3 111.691 -19.677 -5.482 1.00 0.00 N ATOM 44 CD2 HIS A 3 111.680 -21.731 -4.692 1.00 0.00 C ATOM 45 CE1 HIS A 3 112.475 -20.453 -6.251 1.00 0.00 C ATOM 46 NE2 HIS A 3 112.503 -21.716 -5.813 1.00 0.00 N ATOM 0 H HIS A 3 108.658 -19.251 -6.073 1.00 0.00 H new ATOM 0 HA HIS A 3 108.452 -20.672 -4.372 1.00 0.00 H new ATOM 0 HB2 HIS A 3 110.627 -18.993 -3.030 1.00 0.00 H new ATOM 0 HB3 HIS A 3 110.177 -20.628 -2.587 1.00 0.00 H new ATOM 0 HD1 HIS A 3 111.512 -18.682 -5.615 1.00 0.00 H new ATOM 0 HD2 HIS A 3 111.473 -22.599 -4.084 1.00 0.00 H new ATOM 0 HE1 HIS A 3 113.016 -20.099 -7.116 1.00 0.00 H new ATOM 54 N HIS A 4 107.842 -19.797 -1.824 1.00 0.00 N ATOM 55 CA HIS A 4 106.976 -19.346 -0.738 1.00 0.00 C ATOM 56 C HIS A 4 107.770 -18.513 0.269 1.00 0.00 C ATOM 57 O HIS A 4 107.504 -18.548 1.472 1.00 0.00 O ATOM 58 CB HIS A 4 106.346 -20.561 -0.041 1.00 0.00 C ATOM 59 CG HIS A 4 104.847 -20.468 -0.122 1.00 0.00 C ATOM 60 ND1 HIS A 4 104.125 -19.528 0.597 1.00 0.00 N ATOM 61 CD2 HIS A 4 103.919 -21.188 -0.834 1.00 0.00 C ATOM 62 CE1 HIS A 4 102.825 -19.705 0.305 1.00 0.00 C ATOM 63 NE2 HIS A 4 102.643 -20.704 -0.563 1.00 0.00 N ATOM 0 H HIS A 4 108.376 -20.641 -1.617 1.00 0.00 H new ATOM 0 HA HIS A 4 106.185 -18.721 -1.153 1.00 0.00 H new ATOM 0 HB2 HIS A 4 106.689 -21.482 -0.512 1.00 0.00 H new ATOM 0 HB3 HIS A 4 106.662 -20.599 1.001 1.00 0.00 H new ATOM 0 HD2 HIS A 4 104.145 -22.005 -1.503 1.00 0.00 H new ATOM 0 HE1 HIS A 4 102.025 -19.112 0.722 1.00 0.00 H new ATOM 0 HE2 HIS A 4 101.759 -21.040 -0.945 1.00 0.00 H new ATOM 71 N HIS A 5 108.744 -17.760 -0.237 1.00 0.00 N ATOM 72 CA HIS A 5 109.576 -16.917 0.617 1.00 0.00 C ATOM 73 C HIS A 5 108.772 -15.737 1.161 1.00 0.00 C ATOM 74 O HIS A 5 107.865 -15.232 0.499 1.00 0.00 O ATOM 75 CB HIS A 5 110.779 -16.398 -0.177 1.00 0.00 C ATOM 76 CG HIS A 5 111.769 -17.513 -0.377 1.00 0.00 C ATOM 77 ND1 HIS A 5 111.375 -18.803 -0.702 1.00 0.00 N ATOM 78 CD2 HIS A 5 113.140 -17.550 -0.299 1.00 0.00 C ATOM 79 CE1 HIS A 5 112.487 -19.552 -0.809 1.00 0.00 C ATOM 80 NE2 HIS A 5 113.591 -18.838 -0.572 1.00 0.00 N ATOM 0 H HIS A 5 108.976 -17.716 -1.229 1.00 0.00 H new ATOM 0 HA HIS A 5 109.925 -17.517 1.457 1.00 0.00 H new ATOM 0 HB2 HIS A 5 110.451 -16.011 -1.142 1.00 0.00 H new ATOM 0 HB3 HIS A 5 111.250 -15.571 0.355 1.00 0.00 H new ATOM 0 HD2 HIS A 5 113.772 -16.707 -0.062 1.00 0.00 H new ATOM 0 HE1 HIS A 5 112.487 -20.603 -1.057 1.00 0.00 H new ATOM 0 HE2 HIS A 5 114.557 -19.166 -0.588 1.00 0.00 H new ATOM 88 N HIS A 6 109.117 -15.305 2.373 1.00 0.00 N ATOM 89 CA HIS A 6 108.428 -14.185 3.009 1.00 0.00 C ATOM 90 C HIS A 6 108.903 -12.855 2.427 1.00 0.00 C ATOM 91 O HIS A 6 109.837 -12.816 1.624 1.00 0.00 O ATOM 92 CB HIS A 6 108.684 -14.205 4.521 1.00 0.00 C ATOM 93 CG HIS A 6 110.159 -14.061 4.787 1.00 0.00 C ATOM 94 ND1 HIS A 6 111.076 -15.029 4.408 1.00 0.00 N ATOM 95 CD2 HIS A 6 110.890 -13.067 5.390 1.00 0.00 C ATOM 96 CE1 HIS A 6 112.295 -14.601 4.784 1.00 0.00 C ATOM 97 NE2 HIS A 6 112.239 -13.411 5.387 1.00 0.00 N ATOM 0 H HIS A 6 109.867 -15.712 2.932 1.00 0.00 H new ATOM 0 HA HIS A 6 107.360 -14.287 2.818 1.00 0.00 H new ATOM 0 HB2 HIS A 6 108.137 -13.395 5.003 1.00 0.00 H new ATOM 0 HB3 HIS A 6 108.316 -15.137 4.950 1.00 0.00 H new ATOM 0 HD2 HIS A 6 110.481 -12.157 5.804 1.00 0.00 H new ATOM 0 HE1 HIS A 6 113.208 -15.153 4.618 1.00 0.00 H new ATOM 0 HE2 HIS A 6 113.017 -12.870 5.764 1.00 0.00 H new ATOM 105 N HIS A 7 108.254 -11.769 2.844 1.00 0.00 N ATOM 106 CA HIS A 7 108.611 -10.433 2.367 1.00 0.00 C ATOM 107 C HIS A 7 108.614 -9.437 3.526 1.00 0.00 C ATOM 108 O HIS A 7 108.220 -9.771 4.645 1.00 0.00 O ATOM 109 CB HIS A 7 107.617 -9.970 1.297 1.00 0.00 C ATOM 110 CG HIS A 7 107.418 -11.062 0.281 1.00 0.00 C ATOM 111 ND1 HIS A 7 106.368 -11.963 0.363 1.00 0.00 N ATOM 112 CD2 HIS A 7 108.124 -11.410 -0.843 1.00 0.00 C ATOM 113 CE1 HIS A 7 106.472 -12.801 -0.683 1.00 0.00 C ATOM 114 NE2 HIS A 7 107.525 -12.509 -1.451 1.00 0.00 N ATOM 0 H HIS A 7 107.481 -11.787 3.509 1.00 0.00 H new ATOM 0 HA HIS A 7 109.610 -10.479 1.934 1.00 0.00 H new ATOM 0 HB2 HIS A 7 106.664 -9.713 1.759 1.00 0.00 H new ATOM 0 HB3 HIS A 7 107.988 -9.069 0.808 1.00 0.00 H new ATOM 0 HD2 HIS A 7 109.010 -10.907 -1.201 1.00 0.00 H new ATOM 0 HE1 HIS A 7 105.787 -13.612 -0.879 1.00 0.00 H new ATOM 0 HE2 HIS A 7 107.825 -12.988 -2.300 1.00 0.00 H new ATOM 122 N GLY A 8 109.062 -8.213 3.250 1.00 0.00 N ATOM 123 CA GLY A 8 109.113 -7.174 4.275 1.00 0.00 C ATOM 124 C GLY A 8 107.772 -6.457 4.392 1.00 0.00 C ATOM 125 O GLY A 8 106.925 -6.834 5.203 1.00 0.00 O ATOM 0 H GLY A 8 109.393 -7.919 2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 8 109.377 -7.618 5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 8 109.894 -6.454 4.030 1.00 0.00 H new ATOM 129 N GLU A 9 107.585 -5.425 3.571 1.00 0.00 N ATOM 130 CA GLU A 9 106.352 -4.659 3.571 1.00 0.00 C ATOM 131 C GLU A 9 106.410 -3.670 2.423 1.00 0.00 C ATOM 132 O GLU A 9 107.211 -2.735 2.435 1.00 0.00 O ATOM 133 CB GLU A 9 106.168 -3.915 4.901 1.00 0.00 C ATOM 134 CG GLU A 9 104.772 -4.205 5.464 1.00 0.00 C ATOM 135 CD GLU A 9 103.710 -4.007 4.380 1.00 0.00 C ATOM 136 OE1 GLU A 9 103.704 -2.953 3.767 1.00 0.00 O ATOM 137 OE2 GLU A 9 102.922 -4.916 4.177 1.00 0.00 O ATOM 0 H GLU A 9 108.279 -5.103 2.896 1.00 0.00 H new ATOM 0 HA GLU A 9 105.503 -5.332 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 9 106.931 -4.229 5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.295 -2.843 4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 9 104.730 -5.227 5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 9 104.568 -3.545 6.307 1.00 0.00 H new ATOM 144 N PHE A 10 105.579 -3.902 1.420 1.00 0.00 N ATOM 145 CA PHE A 10 105.572 -3.041 0.258 1.00 0.00 C ATOM 146 C PHE A 10 104.250 -2.314 0.105 1.00 0.00 C ATOM 147 O PHE A 10 103.243 -2.646 0.733 1.00 0.00 O ATOM 148 CB PHE A 10 105.867 -3.859 -1.002 1.00 0.00 C ATOM 149 CG PHE A 10 107.249 -3.522 -1.516 1.00 0.00 C ATOM 150 CD1 PHE A 10 107.424 -2.456 -2.407 1.00 0.00 C ATOM 151 CD2 PHE A 10 108.353 -4.275 -1.100 1.00 0.00 C ATOM 152 CE1 PHE A 10 108.703 -2.145 -2.884 1.00 0.00 C ATOM 153 CE2 PHE A 10 109.632 -3.964 -1.577 1.00 0.00 C ATOM 154 CZ PHE A 10 109.807 -2.899 -2.467 1.00 0.00 C ATOM 0 H PHE A 10 104.909 -4.671 1.390 1.00 0.00 H new ATOM 0 HA PHE A 10 106.350 -2.291 0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 10 105.801 -4.924 -0.780 1.00 0.00 H new ATOM 0 HB3 PHE A 10 105.122 -3.646 -1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 10 106.572 -1.874 -2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 10 108.218 -5.096 -0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 10 108.838 -1.324 -3.573 1.00 0.00 H new ATOM 0 HE2 PHE A 10 110.484 -4.546 -1.258 1.00 0.00 H new ATOM 0 HZ PHE A 10 110.794 -2.658 -2.833 1.00 0.00 H new ATOM 164 N GLN A 11 104.304 -1.307 -0.735 1.00 0.00 N ATOM 165 CA GLN A 11 103.150 -0.461 -1.015 1.00 0.00 C ATOM 166 C GLN A 11 102.007 -1.288 -1.600 1.00 0.00 C ATOM 167 O GLN A 11 102.166 -1.947 -2.629 1.00 0.00 O ATOM 168 CB GLN A 11 103.551 0.618 -2.016 1.00 0.00 C ATOM 169 CG GLN A 11 104.708 1.449 -1.455 1.00 0.00 C ATOM 170 CD GLN A 11 104.904 2.711 -2.293 1.00 0.00 C ATOM 171 OE1 GLN A 11 104.507 2.753 -3.458 1.00 0.00 O ATOM 172 NE2 GLN A 11 105.500 3.745 -1.767 1.00 0.00 N ATOM 0 H GLN A 11 105.146 -1.045 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 11 102.814 -0.005 -0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.846 0.159 -2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 11 102.699 1.263 -2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.503 1.719 -0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 11 105.624 0.858 -1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 11 105.828 3.708 -0.802 1.00 0.00 H new ATOM 0 HE22 GLN A 11 105.638 4.590 -2.321 1.00 0.00 H new ATOM 181 N ILE A 12 100.854 -1.254 -0.928 1.00 0.00 N ATOM 182 CA ILE A 12 99.685 -2.010 -1.378 1.00 0.00 C ATOM 183 C ILE A 12 98.997 -1.298 -2.539 1.00 0.00 C ATOM 184 O ILE A 12 99.451 -0.244 -2.988 1.00 0.00 O ATOM 185 CB ILE A 12 98.693 -2.190 -0.222 1.00 0.00 C ATOM 186 CG1 ILE A 12 98.126 -0.824 0.191 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.407 -2.830 0.973 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.877 -1.022 1.053 1.00 0.00 C ATOM 0 H ILE A 12 100.706 -0.714 -0.075 1.00 0.00 H new ATOM 0 HA ILE A 12 100.023 -2.989 -1.718 1.00 0.00 H new ATOM 0 HB ILE A 12 97.877 -2.836 -0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.877 -0.261 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.879 -0.239 -0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.701 -2.957 1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.804 -3.803 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 12 100.225 -2.186 1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.478 -0.050 1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 12 96.125 -1.568 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 12 97.138 -1.589 1.946 1.00 0.00 H new ATOM 200 N PHE A 13 97.895 -1.878 -3.016 1.00 0.00 N ATOM 201 CA PHE A 13 97.150 -1.286 -4.123 1.00 0.00 C ATOM 202 C PHE A 13 95.668 -1.200 -3.785 1.00 0.00 C ATOM 203 O PHE A 13 95.096 -2.133 -3.225 1.00 0.00 O ATOM 204 CB PHE A 13 97.347 -2.117 -5.392 1.00 0.00 C ATOM 205 CG PHE A 13 98.792 -2.033 -5.831 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.763 -2.826 -5.204 1.00 0.00 C ATOM 207 CD2 PHE A 13 99.163 -1.158 -6.861 1.00 0.00 C ATOM 208 CE1 PHE A 13 101.100 -2.745 -5.607 1.00 0.00 C ATOM 209 CE2 PHE A 13 100.502 -1.078 -7.263 1.00 0.00 C ATOM 210 CZ PHE A 13 101.470 -1.871 -6.637 1.00 0.00 C ATOM 0 H PHE A 13 97.503 -2.748 -2.656 1.00 0.00 H new ATOM 0 HA PHE A 13 97.528 -0.278 -4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 13 97.072 -3.155 -5.206 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.693 -1.751 -6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 13 99.479 -3.500 -4.409 1.00 0.00 H new ATOM 0 HD2 PHE A 13 98.416 -0.546 -7.345 1.00 0.00 H new ATOM 0 HE1 PHE A 13 101.847 -3.357 -5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 13 100.788 -0.404 -8.057 1.00 0.00 H new ATOM 0 HZ PHE A 13 102.502 -1.809 -6.948 1.00 0.00 H new ATOM 220 N ALA A 14 95.056 -0.073 -4.140 1.00 0.00 N ATOM 221 CA ALA A 14 93.635 0.146 -3.884 1.00 0.00 C ATOM 222 C ALA A 14 92.916 0.477 -5.186 1.00 0.00 C ATOM 223 O ALA A 14 93.512 1.042 -6.105 1.00 0.00 O ATOM 224 CB ALA A 14 93.454 1.292 -2.887 1.00 0.00 C ATOM 0 H ALA A 14 95.523 0.704 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 14 93.208 -0.764 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.391 1.449 -2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 14 93.953 1.042 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 14 93.889 2.203 -3.297 1.00 0.00 H new ATOM 230 N LYS A 15 91.637 0.117 -5.267 1.00 0.00 N ATOM 231 CA LYS A 15 90.858 0.379 -6.471 1.00 0.00 C ATOM 232 C LYS A 15 89.511 1.009 -6.136 1.00 0.00 C ATOM 233 O LYS A 15 88.711 0.437 -5.395 1.00 0.00 O ATOM 234 CB LYS A 15 90.631 -0.923 -7.244 1.00 0.00 C ATOM 235 CG LYS A 15 90.168 -0.595 -8.669 1.00 0.00 C ATOM 236 CD LYS A 15 91.142 -1.201 -9.686 1.00 0.00 C ATOM 237 CE LYS A 15 90.694 -2.620 -10.045 1.00 0.00 C ATOM 238 NZ LYS A 15 89.488 -2.554 -10.918 1.00 0.00 N ATOM 0 H LYS A 15 91.124 -0.352 -4.521 1.00 0.00 H new ATOM 0 HA LYS A 15 91.423 1.080 -7.085 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.551 -1.506 -7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 15 89.883 -1.534 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.165 -0.988 -8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.113 0.485 -8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.178 -0.583 -10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.150 -1.221 -9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 15 91.498 -3.148 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 15 90.470 -3.182 -9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 89.419 -3.425 -11.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 88.637 -2.455 -10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 89.565 -1.735 -11.555 1.00 0.00 H new ATOM 252 N THR A 16 89.265 2.189 -6.697 1.00 0.00 N ATOM 253 CA THR A 16 88.007 2.890 -6.465 1.00 0.00 C ATOM 254 C THR A 16 86.865 2.169 -7.176 1.00 0.00 C ATOM 255 O THR A 16 87.087 1.189 -7.890 1.00 0.00 O ATOM 256 CB THR A 16 88.098 4.328 -6.978 1.00 0.00 C ATOM 257 OG1 THR A 16 88.303 4.316 -8.384 1.00 0.00 O ATOM 258 CG2 THR A 16 89.263 5.049 -6.295 1.00 0.00 C ATOM 0 H THR A 16 89.916 2.677 -7.312 1.00 0.00 H new ATOM 0 HA THR A 16 87.813 2.904 -5.392 1.00 0.00 H new ATOM 0 HB THR A 16 87.170 4.852 -6.750 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.533 4.726 -8.830 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.324 6.073 -6.664 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.102 5.061 -5.217 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.194 4.528 -6.517 1.00 0.00 H new ATOM 266 N LEU A 17 85.647 2.663 -6.983 1.00 0.00 N ATOM 267 CA LEU A 17 84.477 2.063 -7.616 1.00 0.00 C ATOM 268 C LEU A 17 84.624 2.102 -9.135 1.00 0.00 C ATOM 269 O LEU A 17 84.424 1.094 -9.816 1.00 0.00 O ATOM 270 CB LEU A 17 83.212 2.823 -7.192 1.00 0.00 C ATOM 271 CG LEU A 17 81.946 2.131 -7.729 1.00 0.00 C ATOM 272 CD1 LEU A 17 81.772 2.429 -9.223 1.00 0.00 C ATOM 273 CD2 LEU A 17 82.039 0.615 -7.518 1.00 0.00 C ATOM 0 H LEU A 17 85.444 3.473 -6.397 1.00 0.00 H new ATOM 0 HA LEU A 17 84.394 1.024 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.166 2.881 -6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.257 3.847 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 17 81.085 2.517 -7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 17 80.873 1.934 -9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 17 81.680 3.505 -9.371 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.639 2.060 -9.771 1.00 0.00 H new ATOM 0 HD21 LEU A 17 81.137 0.138 -7.902 1.00 0.00 H new ATOM 0 HD22 LEU A 17 82.909 0.227 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 17 82.137 0.401 -6.454 1.00 0.00 H new ATOM 285 N THR A 18 84.975 3.274 -9.656 1.00 0.00 N ATOM 286 CA THR A 18 85.147 3.450 -11.096 1.00 0.00 C ATOM 287 C THR A 18 86.259 2.548 -11.631 1.00 0.00 C ATOM 288 O THR A 18 86.309 2.260 -12.828 1.00 0.00 O ATOM 289 CB THR A 18 85.471 4.915 -11.400 1.00 0.00 C ATOM 290 OG1 THR A 18 86.713 5.262 -10.800 1.00 0.00 O ATOM 291 CG2 THR A 18 84.361 5.808 -10.838 1.00 0.00 C ATOM 0 H THR A 18 85.146 4.115 -9.105 1.00 0.00 H new ATOM 0 HA THR A 18 84.217 3.171 -11.591 1.00 0.00 H new ATOM 0 HB THR A 18 85.540 5.057 -12.479 1.00 0.00 H new ATOM 0 HG1 THR A 18 86.921 6.199 -10.996 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.590 6.852 -11.053 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.411 5.542 -11.301 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.292 5.667 -9.759 1.00 0.00 H new ATOM 299 N GLY A 19 87.139 2.103 -10.738 1.00 0.00 N ATOM 300 CA GLY A 19 88.240 1.226 -11.132 1.00 0.00 C ATOM 301 C GLY A 19 89.552 1.996 -11.259 1.00 0.00 C ATOM 302 O GLY A 19 90.340 1.748 -12.171 1.00 0.00 O ATOM 0 H GLY A 19 87.113 2.332 -9.744 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.354 0.430 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 19 88.004 0.749 -12.083 1.00 0.00 H new ATOM 306 N LYS A 20 89.784 2.923 -10.332 1.00 0.00 N ATOM 307 CA LYS A 20 91.011 3.716 -10.342 1.00 0.00 C ATOM 308 C LYS A 20 92.068 3.047 -9.466 1.00 0.00 C ATOM 309 O LYS A 20 91.832 2.792 -8.287 1.00 0.00 O ATOM 310 CB LYS A 20 90.723 5.132 -9.830 1.00 0.00 C ATOM 311 CG LYS A 20 91.805 6.097 -10.328 1.00 0.00 C ATOM 312 CD LYS A 20 92.847 6.314 -9.228 1.00 0.00 C ATOM 313 CE LYS A 20 93.842 7.391 -9.667 1.00 0.00 C ATOM 314 NZ LYS A 20 93.193 8.730 -9.581 1.00 0.00 N ATOM 0 H LYS A 20 89.143 3.143 -9.569 1.00 0.00 H new ATOM 0 HA LYS A 20 91.386 3.780 -11.364 1.00 0.00 H new ATOM 0 HB2 LYS A 20 89.743 5.461 -10.176 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.694 5.135 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 20 92.283 5.694 -11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.355 7.049 -10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 20 92.356 6.614 -8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.373 5.382 -9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 20 94.728 7.363 -9.033 1.00 0.00 H new ATOM 0 HE3 LYS A 20 94.174 7.201 -10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 92.987 9.078 -10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 92.307 8.652 -9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 93.832 9.395 -9.101 1.00 0.00 H new ATOM 328 N THR A 21 93.231 2.761 -10.052 1.00 0.00 N ATOM 329 CA THR A 21 94.316 2.110 -9.315 1.00 0.00 C ATOM 330 C THR A 21 95.139 3.132 -8.538 1.00 0.00 C ATOM 331 O THR A 21 95.627 4.111 -9.106 1.00 0.00 O ATOM 332 CB THR A 21 95.230 1.350 -10.286 1.00 0.00 C ATOM 333 OG1 THR A 21 95.030 1.836 -11.606 1.00 0.00 O ATOM 334 CG2 THR A 21 94.906 -0.145 -10.236 1.00 0.00 C ATOM 0 H THR A 21 93.446 2.968 -11.027 1.00 0.00 H new ATOM 0 HA THR A 21 93.871 1.410 -8.608 1.00 0.00 H new ATOM 0 HB THR A 21 96.270 1.503 -9.997 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.615 1.352 -12.225 1.00 0.00 H new ATOM 0 HG21 THR A 21 95.557 -0.682 -10.927 1.00 0.00 H new ATOM 0 HG22 THR A 21 95.064 -0.518 -9.224 1.00 0.00 H new ATOM 0 HG23 THR A 21 93.866 -0.302 -10.522 1.00 0.00 H new ATOM 342 N ILE A 22 95.291 2.894 -7.236 1.00 0.00 N ATOM 343 CA ILE A 22 96.061 3.794 -6.380 1.00 0.00 C ATOM 344 C ILE A 22 97.023 3.002 -5.496 1.00 0.00 C ATOM 345 O ILE A 22 96.620 2.057 -4.818 1.00 0.00 O ATOM 346 CB ILE A 22 95.114 4.615 -5.497 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.017 5.242 -6.367 1.00 0.00 C ATOM 348 CG2 ILE A 22 95.903 5.723 -4.793 1.00 0.00 C ATOM 349 CD1 ILE A 22 92.919 5.824 -5.476 1.00 0.00 C ATOM 0 H ILE A 22 94.893 2.089 -6.753 1.00 0.00 H new ATOM 0 HA ILE A 22 96.638 4.465 -7.017 1.00 0.00 H new ATOM 0 HB ILE A 22 94.658 3.964 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.441 6.025 -6.995 1.00 0.00 H new ATOM 0 HG13 ILE A 22 93.596 4.491 -7.035 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.230 6.307 -4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.682 5.278 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.360 6.374 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.142 6.268 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.486 5.031 -4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.345 6.589 -4.826 1.00 0.00 H new ATOM 361 N THR A 23 98.294 3.399 -5.506 1.00 0.00 N ATOM 362 CA THR A 23 99.312 2.726 -4.702 1.00 0.00 C ATOM 363 C THR A 23 99.657 3.568 -3.474 1.00 0.00 C ATOM 364 O THR A 23 99.965 4.756 -3.596 1.00 0.00 O ATOM 365 CB THR A 23 100.570 2.498 -5.547 1.00 0.00 C ATOM 366 OG1 THR A 23 100.208 1.874 -6.770 1.00 0.00 O ATOM 367 CG2 THR A 23 101.550 1.601 -4.788 1.00 0.00 C ATOM 0 H THR A 23 98.643 4.181 -6.060 1.00 0.00 H new ATOM 0 HA THR A 23 98.922 1.764 -4.370 1.00 0.00 H new ATOM 0 HB THR A 23 101.046 3.457 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.033 0.923 -6.613 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.442 1.443 -5.394 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.829 2.080 -3.849 1.00 0.00 H new ATOM 0 HG23 THR A 23 101.078 0.641 -4.580 1.00 0.00 H new ATOM 375 N LEU A 24 99.592 2.954 -2.291 1.00 0.00 N ATOM 376 CA LEU A 24 99.891 3.669 -1.051 1.00 0.00 C ATOM 377 C LEU A 24 100.848 2.872 -0.165 1.00 0.00 C ATOM 378 O LEU A 24 100.737 1.647 -0.045 1.00 0.00 O ATOM 379 CB LEU A 24 98.596 3.956 -0.278 1.00 0.00 C ATOM 380 CG LEU A 24 97.677 2.726 -0.310 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.672 2.811 0.842 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.918 2.677 -1.644 1.00 0.00 C ATOM 0 H LEU A 24 99.338 1.974 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 24 100.373 4.609 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.830 4.218 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.084 4.813 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 24 98.281 1.825 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 24 96.019 1.938 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.208 2.840 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 24 96.073 3.715 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.268 1.802 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.316 3.579 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.631 2.615 -2.466 1.00 0.00 H new ATOM 394 N GLU A 25 101.789 3.587 0.453 1.00 0.00 N ATOM 395 CA GLU A 25 102.774 2.966 1.333 1.00 0.00 C ATOM 396 C GLU A 25 102.180 2.726 2.719 1.00 0.00 C ATOM 397 O GLU A 25 101.974 3.664 3.489 1.00 0.00 O ATOM 398 CB GLU A 25 104.008 3.869 1.449 1.00 0.00 C ATOM 399 CG GLU A 25 105.176 3.093 2.072 1.00 0.00 C ATOM 400 CD GLU A 25 104.882 2.769 3.537 1.00 0.00 C ATOM 401 OE1 GLU A 25 104.678 3.697 4.302 1.00 0.00 O ATOM 402 OE2 GLU A 25 104.868 1.597 3.872 1.00 0.00 O ATOM 0 H GLU A 25 101.888 4.598 0.359 1.00 0.00 H new ATOM 0 HA GLU A 25 103.064 2.006 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 25 104.292 4.238 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 25 103.774 4.741 2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 25 105.345 2.171 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 25 106.091 3.681 2.000 1.00 0.00 H new ATOM 409 N VAL A 26 101.907 1.463 3.021 1.00 0.00 N ATOM 410 CA VAL A 26 101.334 1.096 4.315 1.00 0.00 C ATOM 411 C VAL A 26 102.085 -0.083 4.924 1.00 0.00 C ATOM 412 O VAL A 26 103.136 -0.486 4.428 1.00 0.00 O ATOM 413 CB VAL A 26 99.858 0.725 4.144 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.096 1.900 3.522 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.743 -0.500 3.233 1.00 0.00 C ATOM 0 H VAL A 26 102.071 0.677 2.392 1.00 0.00 H new ATOM 0 HA VAL A 26 101.423 1.952 4.984 1.00 0.00 H new ATOM 0 HB VAL A 26 99.429 0.496 5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.047 1.631 3.403 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.175 2.771 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.523 2.136 2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.693 -0.765 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 26 100.175 -0.271 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 26 100.279 -1.337 3.680 1.00 0.00 H new ATOM 425 N GLU A 27 101.523 -0.632 5.995 1.00 0.00 N ATOM 426 CA GLU A 27 102.121 -1.777 6.674 1.00 0.00 C ATOM 427 C GLU A 27 101.172 -2.968 6.596 1.00 0.00 C ATOM 428 O GLU A 27 99.972 -2.796 6.414 1.00 0.00 O ATOM 429 CB GLU A 27 102.401 -1.432 8.139 1.00 0.00 C ATOM 430 CG GLU A 27 103.470 -0.337 8.215 1.00 0.00 C ATOM 431 CD GLU A 27 104.841 -0.922 7.886 1.00 0.00 C ATOM 432 OE1 GLU A 27 105.487 -1.413 8.797 1.00 0.00 O ATOM 433 OE2 GLU A 27 105.224 -0.872 6.728 1.00 0.00 O ATOM 0 H GLU A 27 100.653 -0.302 6.413 1.00 0.00 H new ATOM 0 HA GLU A 27 103.062 -2.031 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.485 -1.095 8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.737 -2.320 8.674 1.00 0.00 H new ATOM 0 HG2 GLU A 27 103.231 0.465 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.483 0.102 9.213 1.00 0.00 H new ATOM 440 N SER A 28 101.712 -4.173 6.733 1.00 0.00 N ATOM 441 CA SER A 28 100.885 -5.375 6.668 1.00 0.00 C ATOM 442 C SER A 28 99.850 -5.389 7.787 1.00 0.00 C ATOM 443 O SER A 28 98.842 -6.087 7.697 1.00 0.00 O ATOM 444 CB SER A 28 101.767 -6.620 6.771 1.00 0.00 C ATOM 445 OG SER A 28 102.600 -6.512 7.918 1.00 0.00 O ATOM 0 H SER A 28 102.705 -4.345 6.888 1.00 0.00 H new ATOM 0 HA SER A 28 100.361 -5.375 5.712 1.00 0.00 H new ATOM 0 HB2 SER A 28 101.147 -7.514 6.840 1.00 0.00 H new ATOM 0 HB3 SER A 28 102.376 -6.723 5.873 1.00 0.00 H new ATOM 0 HG SER A 28 103.165 -7.309 7.988 1.00 0.00 H new ATOM 451 N SER A 29 100.126 -4.642 8.853 1.00 0.00 N ATOM 452 CA SER A 29 99.235 -4.591 10.010 1.00 0.00 C ATOM 453 C SER A 29 98.648 -3.194 10.208 1.00 0.00 C ATOM 454 O SER A 29 97.936 -2.953 11.185 1.00 0.00 O ATOM 455 CB SER A 29 100.008 -4.999 11.266 1.00 0.00 C ATOM 456 OG SER A 29 101.001 -4.021 11.546 1.00 0.00 O ATOM 0 H SER A 29 100.961 -4.063 8.940 1.00 0.00 H new ATOM 0 HA SER A 29 98.411 -5.282 9.831 1.00 0.00 H new ATOM 0 HB2 SER A 29 99.326 -5.094 12.111 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.473 -5.974 11.120 1.00 0.00 H new ATOM 0 HG SER A 29 101.496 -4.279 12.351 1.00 0.00 H new ATOM 462 N ASP A 30 98.950 -2.277 9.288 1.00 0.00 N ATOM 463 CA ASP A 30 98.441 -0.908 9.386 1.00 0.00 C ATOM 464 C ASP A 30 96.929 -0.905 9.608 1.00 0.00 C ATOM 465 O ASP A 30 96.258 -1.912 9.387 1.00 0.00 O ATOM 466 CB ASP A 30 98.773 -0.134 8.106 1.00 0.00 C ATOM 467 CG ASP A 30 99.507 1.162 8.442 1.00 0.00 C ATOM 468 OD1 ASP A 30 99.005 1.911 9.264 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.561 1.388 7.869 1.00 0.00 O ATOM 0 H ASP A 30 99.539 -2.454 8.474 1.00 0.00 H new ATOM 0 HA ASP A 30 98.920 -0.426 10.238 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.390 -0.749 7.451 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.856 0.091 7.561 1.00 0.00 H new ATOM 474 N THR A 31 96.397 0.237 10.037 1.00 0.00 N ATOM 475 CA THR A 31 94.961 0.357 10.277 1.00 0.00 C ATOM 476 C THR A 31 94.274 0.997 9.077 1.00 0.00 C ATOM 477 O THR A 31 94.907 1.712 8.298 1.00 0.00 O ATOM 478 CB THR A 31 94.698 1.206 11.526 1.00 0.00 C ATOM 479 OG1 THR A 31 95.074 2.553 11.271 1.00 0.00 O ATOM 480 CG2 THR A 31 95.512 0.663 12.704 1.00 0.00 C ATOM 0 H THR A 31 96.932 1.085 10.224 1.00 0.00 H new ATOM 0 HA THR A 31 94.557 -0.643 10.431 1.00 0.00 H new ATOM 0 HB THR A 31 93.637 1.163 11.773 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.904 3.097 12.069 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.321 1.270 13.589 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.221 -0.369 12.902 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.574 0.700 12.461 1.00 0.00 H new ATOM 488 N ILE A 32 92.974 0.744 8.936 1.00 0.00 N ATOM 489 CA ILE A 32 92.212 1.307 7.826 1.00 0.00 C ATOM 490 C ILE A 32 92.381 2.824 7.790 1.00 0.00 C ATOM 491 O ILE A 32 92.572 3.406 6.723 1.00 0.00 O ATOM 492 CB ILE A 32 90.727 0.946 7.968 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.545 -0.574 7.831 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.912 1.658 6.882 1.00 0.00 C ATOM 495 CD1 ILE A 32 91.141 -1.063 6.506 1.00 0.00 C ATOM 0 H ILE A 32 92.432 0.158 9.571 1.00 0.00 H new ATOM 0 HA ILE A 32 92.588 0.888 6.893 1.00 0.00 H new ATOM 0 HB ILE A 32 90.377 1.265 8.950 1.00 0.00 H new ATOM 0 HG12 ILE A 32 91.029 -1.082 8.665 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.485 -0.826 7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.859 1.398 6.988 1.00 0.00 H new ATOM 0 HG22 ILE A 32 90.032 2.736 6.986 1.00 0.00 H new ATOM 0 HG23 ILE A 32 90.265 1.347 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 32 91.005 -2.141 6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.637 -0.568 5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 32 92.205 -0.828 6.477 1.00 0.00 H new ATOM 507 N ASP A 33 92.315 3.460 8.959 1.00 0.00 N ATOM 508 CA ASP A 33 92.472 4.911 9.042 1.00 0.00 C ATOM 509 C ASP A 33 93.693 5.362 8.245 1.00 0.00 C ATOM 510 O ASP A 33 93.609 6.283 7.432 1.00 0.00 O ATOM 511 CB ASP A 33 92.626 5.341 10.503 1.00 0.00 C ATOM 512 CG ASP A 33 91.278 5.281 11.218 1.00 0.00 C ATOM 513 OD1 ASP A 33 90.354 5.934 10.759 1.00 0.00 O ATOM 514 OD2 ASP A 33 91.190 4.588 12.218 1.00 0.00 O ATOM 0 H ASP A 33 92.155 2.998 9.854 1.00 0.00 H new ATOM 0 HA ASP A 33 91.582 5.378 8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 33 93.342 4.691 11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 33 93.026 6.354 10.551 1.00 0.00 H new ATOM 519 N ASN A 34 94.827 4.698 8.477 1.00 0.00 N ATOM 520 CA ASN A 34 96.058 5.032 7.766 1.00 0.00 C ATOM 521 C ASN A 34 95.883 4.772 6.274 1.00 0.00 C ATOM 522 O ASN A 34 96.336 5.554 5.440 1.00 0.00 O ATOM 523 CB ASN A 34 97.220 4.194 8.305 1.00 0.00 C ATOM 524 CG ASN A 34 98.539 4.689 7.716 1.00 0.00 C ATOM 525 OD1 ASN A 34 99.228 5.503 8.330 1.00 0.00 O ATOM 526 ND2 ASN A 34 98.935 4.243 6.555 1.00 0.00 N ATOM 0 H ASN A 34 94.917 3.933 9.146 1.00 0.00 H new ATOM 0 HA ASN A 34 96.280 6.088 7.922 1.00 0.00 H new ATOM 0 HB2 ASN A 34 97.251 4.258 9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 34 97.070 3.144 8.052 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.816 4.569 6.157 1.00 0.00 H new ATOM 0 HD22 ASN A 34 98.364 3.568 6.046 1.00 0.00 H new ATOM 533 N VAL A 35 95.203 3.671 5.955 1.00 0.00 N ATOM 534 CA VAL A 35 94.948 3.315 4.562 1.00 0.00 C ATOM 535 C VAL A 35 94.142 4.424 3.892 1.00 0.00 C ATOM 536 O VAL A 35 94.488 4.897 2.805 1.00 0.00 O ATOM 537 CB VAL A 35 94.176 1.990 4.483 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.718 1.741 3.042 1.00 0.00 C ATOM 539 CG2 VAL A 35 95.083 0.839 4.931 1.00 0.00 C ATOM 0 H VAL A 35 94.822 3.016 6.637 1.00 0.00 H new ATOM 0 HA VAL A 35 95.901 3.195 4.046 1.00 0.00 H new ATOM 0 HB VAL A 35 93.305 2.046 5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.171 0.800 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.069 2.556 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.588 1.690 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.533 -0.101 4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.956 0.789 4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 35 95.406 1.009 5.958 1.00 0.00 H new ATOM 549 N LYS A 36 93.070 4.842 4.560 1.00 0.00 N ATOM 550 CA LYS A 36 92.221 5.903 4.039 1.00 0.00 C ATOM 551 C LYS A 36 93.014 7.200 3.922 1.00 0.00 C ATOM 552 O LYS A 36 93.163 7.743 2.830 1.00 0.00 O ATOM 553 CB LYS A 36 91.011 6.102 4.954 1.00 0.00 C ATOM 554 CG LYS A 36 90.154 4.830 4.955 1.00 0.00 C ATOM 555 CD LYS A 36 88.703 5.181 5.295 1.00 0.00 C ATOM 556 CE LYS A 36 88.617 5.682 6.739 1.00 0.00 C ATOM 557 NZ LYS A 36 87.188 5.899 7.107 1.00 0.00 N ATOM 0 H LYS A 36 92.772 4.463 5.459 1.00 0.00 H new ATOM 0 HA LYS A 36 91.868 5.619 3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.342 6.331 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.419 6.951 4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 36 90.202 4.348 3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.545 4.118 5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.334 5.946 4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 36 88.067 4.305 5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 36 89.071 4.957 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 36 89.176 6.611 6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 87.119 6.108 8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 86.807 6.699 6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 86.640 5.042 6.892 1.00 0.00 H new ATOM 571 N SER A 37 93.528 7.687 5.051 1.00 0.00 N ATOM 572 CA SER A 37 94.318 8.917 5.052 1.00 0.00 C ATOM 573 C SER A 37 95.350 8.871 3.931 1.00 0.00 C ATOM 574 O SER A 37 95.492 9.821 3.160 1.00 0.00 O ATOM 575 CB SER A 37 95.027 9.084 6.398 1.00 0.00 C ATOM 576 OG SER A 37 94.077 9.447 7.391 1.00 0.00 O ATOM 0 H SER A 37 93.413 7.254 5.967 1.00 0.00 H new ATOM 0 HA SER A 37 93.651 9.764 4.893 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.524 8.155 6.677 1.00 0.00 H new ATOM 0 HB3 SER A 37 95.800 9.849 6.322 1.00 0.00 H new ATOM 0 HG SER A 37 93.596 8.648 7.691 1.00 0.00 H new ATOM 582 N LYS A 38 96.059 7.748 3.843 1.00 0.00 N ATOM 583 CA LYS A 38 97.070 7.573 2.806 1.00 0.00 C ATOM 584 C LYS A 38 96.488 7.943 1.446 1.00 0.00 C ATOM 585 O LYS A 38 97.162 8.557 0.621 1.00 0.00 O ATOM 586 CB LYS A 38 97.563 6.122 2.782 1.00 0.00 C ATOM 587 CG LYS A 38 98.770 5.972 3.714 1.00 0.00 C ATOM 588 CD LYS A 38 100.044 6.401 2.978 1.00 0.00 C ATOM 589 CE LYS A 38 101.105 6.835 3.994 1.00 0.00 C ATOM 590 NZ LYS A 38 101.319 5.743 4.985 1.00 0.00 N ATOM 0 H LYS A 38 95.953 6.952 4.472 1.00 0.00 H new ATOM 0 HA LYS A 38 97.913 8.227 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 38 96.763 5.451 3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 38 97.838 5.838 1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 38 98.631 6.582 4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 38 98.860 4.937 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 38 100.421 5.576 2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 38 99.823 7.222 2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 38 102.040 7.066 3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 38 100.786 7.745 4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 102.333 5.664 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 100.795 5.958 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 100.979 4.843 4.589 1.00 0.00 H new ATOM 604 N ILE A 39 95.227 7.572 1.225 1.00 0.00 N ATOM 605 CA ILE A 39 94.561 7.883 -0.037 1.00 0.00 C ATOM 606 C ILE A 39 94.409 9.395 -0.205 1.00 0.00 C ATOM 607 O ILE A 39 94.594 9.922 -1.299 1.00 0.00 O ATOM 608 CB ILE A 39 93.186 7.186 -0.101 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.038 6.477 -1.454 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.045 8.204 0.067 1.00 0.00 C ATOM 611 CD1 ILE A 39 92.994 7.507 -2.589 1.00 0.00 C ATOM 0 H ILE A 39 94.653 7.062 1.896 1.00 0.00 H new ATOM 0 HA ILE A 39 95.176 7.510 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 39 93.127 6.462 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 39 93.872 5.792 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.128 5.878 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.086 7.687 0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.140 8.701 1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.099 8.945 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 39 92.889 6.992 -3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.145 8.175 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 39 93.917 8.087 -2.590 1.00 0.00 H new ATOM 623 N GLN A 40 94.065 10.088 0.883 1.00 0.00 N ATOM 624 CA GLN A 40 93.888 11.539 0.826 1.00 0.00 C ATOM 625 C GLN A 40 95.172 12.217 0.364 1.00 0.00 C ATOM 626 O GLN A 40 95.135 13.265 -0.271 1.00 0.00 O ATOM 627 CB GLN A 40 93.450 12.083 2.195 1.00 0.00 C ATOM 628 CG GLN A 40 94.647 12.665 2.959 1.00 0.00 C ATOM 629 CD GLN A 40 94.295 12.817 4.435 1.00 0.00 C ATOM 630 OE1 GLN A 40 93.443 13.631 4.791 1.00 0.00 O ATOM 631 NE2 GLN A 40 94.905 12.078 5.321 1.00 0.00 N ATOM 0 H GLN A 40 93.906 9.674 1.802 1.00 0.00 H new ATOM 0 HA GLN A 40 93.104 11.762 0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.690 12.853 2.059 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.993 11.284 2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 40 95.513 12.012 2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 40 94.922 13.633 2.540 1.00 0.00 H new ATOM 0 HE21 GLN A 40 95.611 11.404 5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 40 94.676 12.174 6.310 1.00 0.00 H new ATOM 640 N ASP A 41 96.309 11.602 0.659 1.00 0.00 N ATOM 641 CA ASP A 41 97.584 12.158 0.228 1.00 0.00 C ATOM 642 C ASP A 41 97.735 11.931 -1.273 1.00 0.00 C ATOM 643 O ASP A 41 98.464 12.645 -1.962 1.00 0.00 O ATOM 644 CB ASP A 41 98.736 11.483 0.981 1.00 0.00 C ATOM 645 CG ASP A 41 100.077 11.990 0.457 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.526 13.019 0.935 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.634 11.343 -0.414 1.00 0.00 O ATOM 0 H ASP A 41 96.376 10.732 1.187 1.00 0.00 H new ATOM 0 HA ASP A 41 97.612 13.226 0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.653 11.689 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.675 10.401 0.860 1.00 0.00 H new ATOM 652 N LYS A 42 97.039 10.904 -1.755 1.00 0.00 N ATOM 653 CA LYS A 42 97.080 10.527 -3.164 1.00 0.00 C ATOM 654 C LYS A 42 95.996 11.239 -3.980 1.00 0.00 C ATOM 655 O LYS A 42 96.259 11.691 -5.095 1.00 0.00 O ATOM 656 CB LYS A 42 96.891 9.009 -3.290 1.00 0.00 C ATOM 657 CG LYS A 42 98.238 8.285 -3.143 1.00 0.00 C ATOM 658 CD LYS A 42 99.038 8.871 -1.973 1.00 0.00 C ATOM 659 CE LYS A 42 100.034 7.828 -1.459 1.00 0.00 C ATOM 660 NZ LYS A 42 100.717 8.351 -0.242 1.00 0.00 N ATOM 0 H LYS A 42 96.435 10.314 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 42 98.050 10.827 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.198 8.658 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 42 96.447 8.771 -4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 42 98.069 7.221 -2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 42 98.811 8.379 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.568 9.767 -2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 42 98.363 9.170 -1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 42 99.515 6.898 -1.227 1.00 0.00 H new ATOM 0 HE3 LYS A 42 100.768 7.599 -2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 101.558 7.773 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 101.006 9.337 -0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 100.065 8.308 0.567 1.00 0.00 H new ATOM 674 N GLU A 43 94.773 11.311 -3.444 1.00 0.00 N ATOM 675 CA GLU A 43 93.666 11.943 -4.171 1.00 0.00 C ATOM 676 C GLU A 43 93.023 13.088 -3.381 1.00 0.00 C ATOM 677 O GLU A 43 91.974 13.599 -3.776 1.00 0.00 O ATOM 678 CB GLU A 43 92.599 10.890 -4.490 1.00 0.00 C ATOM 679 CG GLU A 43 93.163 9.863 -5.479 1.00 0.00 C ATOM 680 CD GLU A 43 92.096 9.478 -6.499 1.00 0.00 C ATOM 681 OE1 GLU A 43 91.868 10.256 -7.411 1.00 0.00 O ATOM 682 OE2 GLU A 43 91.520 8.412 -6.354 1.00 0.00 O ATOM 0 H GLU A 43 94.526 10.946 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 43 94.078 12.366 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.282 10.391 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 43 91.716 11.370 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 43 94.033 10.277 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.501 8.977 -4.942 1.00 0.00 H new ATOM 689 N GLY A 44 93.652 13.504 -2.285 1.00 0.00 N ATOM 690 CA GLY A 44 93.118 14.606 -1.479 1.00 0.00 C ATOM 691 C GLY A 44 91.874 14.188 -0.693 1.00 0.00 C ATOM 692 O GLY A 44 91.682 14.612 0.446 1.00 0.00 O ATOM 0 H GLY A 44 94.522 13.103 -1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.885 14.954 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.871 15.445 -2.130 1.00 0.00 H new ATOM 696 N ILE A 45 91.025 13.373 -1.321 1.00 0.00 N ATOM 697 CA ILE A 45 89.786 12.914 -0.690 1.00 0.00 C ATOM 698 C ILE A 45 90.004 12.549 0.779 1.00 0.00 C ATOM 699 O ILE A 45 90.831 11.695 1.098 1.00 0.00 O ATOM 700 CB ILE A 45 89.233 11.702 -1.446 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.123 12.053 -2.941 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.852 11.335 -0.883 1.00 0.00 C ATOM 703 CD1 ILE A 45 87.973 11.279 -3.587 1.00 0.00 C ATOM 0 H ILE A 45 91.172 13.017 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 45 89.068 13.733 -0.731 1.00 0.00 H new ATOM 0 HB ILE A 45 89.900 10.848 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 45 88.960 13.124 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 45 90.059 11.816 -3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.457 10.473 -1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.943 11.092 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.174 12.179 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 45 87.908 11.538 -4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 45 88.153 10.209 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 45 87.037 11.538 -3.092 1.00 0.00 H new ATOM 715 N PRO A 46 89.274 13.182 1.668 1.00 0.00 N ATOM 716 CA PRO A 46 89.388 12.920 3.129 1.00 0.00 C ATOM 717 C PRO A 46 89.044 11.472 3.484 1.00 0.00 C ATOM 718 O PRO A 46 88.109 10.893 2.928 1.00 0.00 O ATOM 719 CB PRO A 46 88.402 13.888 3.795 1.00 0.00 C ATOM 720 CG PRO A 46 87.745 14.687 2.712 1.00 0.00 C ATOM 721 CD PRO A 46 88.267 14.205 1.358 1.00 0.00 C ATOM 0 HA PRO A 46 90.412 13.071 3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.657 13.339 4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.923 14.545 4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.662 14.572 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.959 15.748 2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.461 13.792 0.751 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.704 15.027 0.791 1.00 0.00 H new ATOM 729 N PRO A 47 89.784 10.887 4.393 1.00 0.00 N ATOM 730 CA PRO A 47 89.563 9.480 4.832 1.00 0.00 C ATOM 731 C PRO A 47 88.113 9.223 5.240 1.00 0.00 C ATOM 732 O PRO A 47 87.587 8.129 5.044 1.00 0.00 O ATOM 733 CB PRO A 47 90.496 9.287 6.037 1.00 0.00 C ATOM 734 CG PRO A 47 91.215 10.582 6.264 1.00 0.00 C ATOM 735 CD PRO A 47 90.913 11.512 5.090 1.00 0.00 C ATOM 0 HA PRO A 47 89.770 8.783 4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.925 9.005 6.922 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.206 8.483 5.846 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.892 11.036 7.201 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.288 10.411 6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.658 12.514 5.435 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.777 11.611 4.433 1.00 0.00 H new ATOM 743 N ASP A 48 87.478 10.240 5.815 1.00 0.00 N ATOM 744 CA ASP A 48 86.092 10.120 6.260 1.00 0.00 C ATOM 745 C ASP A 48 85.129 10.133 5.075 1.00 0.00 C ATOM 746 O ASP A 48 84.145 9.393 5.058 1.00 0.00 O ATOM 747 CB ASP A 48 85.749 11.271 7.212 1.00 0.00 C ATOM 748 CG ASP A 48 86.237 12.596 6.632 1.00 0.00 C ATOM 749 OD1 ASP A 48 87.377 12.950 6.889 1.00 0.00 O ATOM 750 OD2 ASP A 48 85.466 13.235 5.934 1.00 0.00 O ATOM 0 H ASP A 48 87.899 11.154 5.984 1.00 0.00 H new ATOM 0 HA ASP A 48 85.985 9.168 6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.672 11.311 7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 48 86.211 11.099 8.184 1.00 0.00 H new ATOM 755 N GLN A 49 85.412 10.985 4.092 1.00 0.00 N ATOM 756 CA GLN A 49 84.558 11.097 2.912 1.00 0.00 C ATOM 757 C GLN A 49 84.529 9.790 2.121 1.00 0.00 C ATOM 758 O GLN A 49 83.641 9.578 1.296 1.00 0.00 O ATOM 759 CB GLN A 49 85.062 12.231 2.013 1.00 0.00 C ATOM 760 CG GLN A 49 84.080 12.455 0.857 1.00 0.00 C ATOM 761 CD GLN A 49 84.047 13.933 0.478 1.00 0.00 C ATOM 762 OE1 GLN A 49 83.334 14.719 1.103 1.00 0.00 O ATOM 763 NE2 GLN A 49 84.783 14.360 -0.512 1.00 0.00 N ATOM 0 H GLN A 49 86.222 11.605 4.089 1.00 0.00 H new ATOM 0 HA GLN A 49 83.544 11.315 3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.169 13.147 2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 49 86.049 11.985 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 49 84.377 11.857 -0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.083 12.123 1.147 1.00 0.00 H new ATOM 0 HE21 GLN A 49 85.373 13.707 -1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 49 84.769 15.347 -0.770 1.00 0.00 H new ATOM 772 N GLN A 50 85.499 8.916 2.372 1.00 0.00 N ATOM 773 CA GLN A 50 85.564 7.638 1.668 1.00 0.00 C ATOM 774 C GLN A 50 85.558 6.472 2.654 1.00 0.00 C ATOM 775 O GLN A 50 85.634 6.671 3.868 1.00 0.00 O ATOM 776 CB GLN A 50 86.827 7.580 0.804 1.00 0.00 C ATOM 777 CG GLN A 50 88.068 7.792 1.681 1.00 0.00 C ATOM 778 CD GLN A 50 88.806 6.472 1.878 1.00 0.00 C ATOM 779 OE1 GLN A 50 88.180 5.425 2.050 1.00 0.00 O ATOM 780 NE2 GLN A 50 90.109 6.458 1.869 1.00 0.00 N ATOM 0 H GLN A 50 86.245 9.066 3.051 1.00 0.00 H new ATOM 0 HA GLN A 50 84.684 7.555 1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 50 86.888 6.616 0.298 1.00 0.00 H new ATOM 0 HB3 GLN A 50 86.784 8.345 0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 50 88.731 8.522 1.216 1.00 0.00 H new ATOM 0 HG3 GLN A 50 87.774 8.200 2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 50 90.627 7.325 1.727 1.00 0.00 H new ATOM 0 HE22 GLN A 50 90.611 5.580 2.004 1.00 0.00 H new ATOM 789 N ARG A 51 85.470 5.257 2.119 1.00 0.00 N ATOM 790 CA ARG A 51 85.458 4.056 2.952 1.00 0.00 C ATOM 791 C ARG A 51 86.045 2.870 2.190 1.00 0.00 C ATOM 792 O ARG A 51 86.275 2.953 0.983 1.00 0.00 O ATOM 793 CB ARG A 51 84.026 3.731 3.394 1.00 0.00 C ATOM 794 CG ARG A 51 83.059 3.927 2.220 1.00 0.00 C ATOM 795 CD ARG A 51 82.221 5.189 2.443 1.00 0.00 C ATOM 796 NE ARG A 51 81.136 4.915 3.378 1.00 0.00 N ATOM 797 CZ ARG A 51 80.152 5.789 3.566 1.00 0.00 C ATOM 798 NH1 ARG A 51 79.149 5.833 2.731 1.00 0.00 N ATOM 799 NH2 ARG A 51 80.189 6.604 4.585 1.00 0.00 N ATOM 0 H ARG A 51 85.406 5.077 1.117 1.00 0.00 H new ATOM 0 HA ARG A 51 86.070 4.245 3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.972 2.703 3.753 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.738 4.375 4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.617 4.010 1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 51 82.407 3.059 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 51 82.852 5.989 2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.814 5.536 1.494 1.00 0.00 H new ATOM 0 HE ARG A 51 81.132 4.037 3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 51 79.120 5.197 1.934 1.00 0.00 H new ATOM 0 HH12 ARG A 51 78.394 6.504 2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 51 80.973 6.570 5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 51 79.434 7.275 4.729 1.00 0.00 H new ATOM 813 N LEU A 52 86.281 1.770 2.903 1.00 0.00 N ATOM 814 CA LEU A 52 86.843 0.567 2.291 1.00 0.00 C ATOM 815 C LEU A 52 85.816 -0.564 2.313 1.00 0.00 C ATOM 816 O LEU A 52 85.446 -1.051 3.380 1.00 0.00 O ATOM 817 CB LEU A 52 88.096 0.126 3.063 1.00 0.00 C ATOM 818 CG LEU A 52 89.356 0.763 2.461 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.588 0.226 1.044 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.200 2.287 2.415 1.00 0.00 C ATOM 0 H LEU A 52 86.093 1.687 3.902 1.00 0.00 H new ATOM 0 HA LEU A 52 87.109 0.793 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 52 88.003 0.412 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.183 -0.960 3.035 1.00 0.00 H new ATOM 0 HG LEU A 52 90.213 0.509 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.484 0.683 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 52 89.716 -0.856 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.729 0.469 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.098 2.732 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.338 2.546 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 52 89.053 2.668 3.425 1.00 0.00 H new ATOM 832 N ILE A 53 85.359 -0.981 1.134 1.00 0.00 N ATOM 833 CA ILE A 53 84.377 -2.062 1.037 1.00 0.00 C ATOM 834 C ILE A 53 85.026 -3.287 0.404 1.00 0.00 C ATOM 835 O ILE A 53 85.500 -3.225 -0.729 1.00 0.00 O ATOM 836 CB ILE A 53 83.176 -1.598 0.190 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.105 -0.988 1.102 1.00 0.00 C ATOM 838 CG2 ILE A 53 82.566 -2.786 -0.567 1.00 0.00 C ATOM 839 CD1 ILE A 53 82.710 0.140 1.942 1.00 0.00 C ATOM 0 H ILE A 53 85.650 -0.591 0.238 1.00 0.00 H new ATOM 0 HA ILE A 53 84.025 -2.324 2.035 1.00 0.00 H new ATOM 0 HB ILE A 53 83.524 -0.854 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.281 -0.603 0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 53 81.691 -1.757 1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 53 81.719 -2.443 -1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.317 -3.223 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.228 -3.537 0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 53 81.941 0.567 2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.519 -0.257 2.556 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.102 0.915 1.283 1.00 0.00 H new ATOM 851 N TRP A 54 85.061 -4.398 1.140 1.00 0.00 N ATOM 852 CA TRP A 54 85.677 -5.616 0.623 1.00 0.00 C ATOM 853 C TRP A 54 84.914 -6.860 1.081 1.00 0.00 C ATOM 854 O TRP A 54 84.521 -6.974 2.243 1.00 0.00 O ATOM 855 CB TRP A 54 87.139 -5.686 1.095 1.00 0.00 C ATOM 856 CG TRP A 54 87.607 -7.109 1.136 1.00 0.00 C ATOM 857 CD1 TRP A 54 88.012 -7.759 2.252 1.00 0.00 C ATOM 858 CD2 TRP A 54 87.724 -8.064 0.041 1.00 0.00 C ATOM 859 NE1 TRP A 54 88.369 -9.050 1.912 1.00 0.00 N ATOM 860 CE2 TRP A 54 88.210 -9.287 0.561 1.00 0.00 C ATOM 861 CE3 TRP A 54 87.459 -7.988 -1.338 1.00 0.00 C ATOM 862 CZ2 TRP A 54 88.423 -10.396 -0.257 1.00 0.00 C ATOM 863 CZ3 TRP A 54 87.673 -9.104 -2.165 1.00 0.00 C ATOM 864 CH2 TRP A 54 88.155 -10.304 -1.625 1.00 0.00 C ATOM 0 H TRP A 54 84.676 -4.479 2.081 1.00 0.00 H new ATOM 0 HA TRP A 54 85.643 -5.588 -0.466 1.00 0.00 H new ATOM 0 HB2 TRP A 54 87.773 -5.107 0.423 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.230 -5.238 2.084 1.00 0.00 H new ATOM 0 HD1 TRP A 54 88.050 -7.338 3.246 1.00 0.00 H new ATOM 0 HE1 TRP A 54 88.709 -9.744 2.578 1.00 0.00 H new ATOM 0 HE3 TRP A 54 87.089 -7.067 -1.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 88.792 -11.319 0.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 87.465 -9.036 -3.223 1.00 0.00 H new ATOM 0 HH2 TRP A 54 88.319 -11.157 -2.266 1.00 0.00 H new ATOM 875 N ALA A 55 84.731 -7.792 0.147 1.00 0.00 N ATOM 876 CA ALA A 55 84.039 -9.053 0.420 1.00 0.00 C ATOM 877 C ALA A 55 82.593 -8.826 0.866 1.00 0.00 C ATOM 878 O ALA A 55 82.163 -9.346 1.897 1.00 0.00 O ATOM 879 CB ALA A 55 84.793 -9.848 1.491 1.00 0.00 C ATOM 0 H ALA A 55 85.056 -7.697 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 55 84.016 -9.621 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 55 84.269 -10.784 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 55 85.803 -10.063 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 55 84.845 -9.263 2.409 1.00 0.00 H new ATOM 885 N GLY A 56 81.841 -8.070 0.069 1.00 0.00 N ATOM 886 CA GLY A 56 80.435 -7.799 0.365 1.00 0.00 C ATOM 887 C GLY A 56 80.232 -7.185 1.748 1.00 0.00 C ATOM 888 O GLY A 56 79.094 -6.995 2.181 1.00 0.00 O ATOM 0 H GLY A 56 82.182 -7.634 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 56 80.032 -7.124 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 56 79.868 -8.728 0.297 1.00 0.00 H new ATOM 892 N LYS A 57 81.326 -6.887 2.446 1.00 0.00 N ATOM 893 CA LYS A 57 81.227 -6.309 3.784 1.00 0.00 C ATOM 894 C LYS A 57 82.016 -5.007 3.879 1.00 0.00 C ATOM 895 O LYS A 57 83.178 -4.939 3.477 1.00 0.00 O ATOM 896 CB LYS A 57 81.759 -7.308 4.814 1.00 0.00 C ATOM 897 CG LYS A 57 81.602 -6.732 6.227 1.00 0.00 C ATOM 898 CD LYS A 57 81.879 -7.825 7.263 1.00 0.00 C ATOM 899 CE LYS A 57 83.380 -8.120 7.317 1.00 0.00 C ATOM 900 NZ LYS A 57 83.650 -9.136 8.373 1.00 0.00 N ATOM 0 H LYS A 57 82.279 -7.034 2.113 1.00 0.00 H new ATOM 0 HA LYS A 57 80.179 -6.090 3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.217 -8.250 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 57 82.808 -7.526 4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.291 -5.899 6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 57 80.594 -6.338 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.526 -7.507 8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 57 81.330 -8.731 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 57 83.724 -8.485 6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 57 83.934 -7.205 7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 84.670 -9.336 8.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 83.336 -8.771 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 83.133 -10.011 8.153 1.00 0.00 H new ATOM 914 N GLN A 58 81.374 -3.980 4.431 1.00 0.00 N ATOM 915 CA GLN A 58 82.020 -2.683 4.597 1.00 0.00 C ATOM 916 C GLN A 58 83.060 -2.766 5.710 1.00 0.00 C ATOM 917 O GLN A 58 82.752 -3.196 6.823 1.00 0.00 O ATOM 918 CB GLN A 58 80.974 -1.616 4.944 1.00 0.00 C ATOM 919 CG GLN A 58 79.993 -1.451 3.779 1.00 0.00 C ATOM 920 CD GLN A 58 78.627 -1.018 4.302 1.00 0.00 C ATOM 921 OE1 GLN A 58 77.795 -1.861 4.642 1.00 0.00 O ATOM 922 NE2 GLN A 58 78.343 0.254 4.385 1.00 0.00 N ATOM 0 H GLN A 58 80.412 -4.021 4.769 1.00 0.00 H new ATOM 0 HA GLN A 58 82.511 -2.408 3.664 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.435 -1.902 5.847 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.466 -0.666 5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.373 -0.710 3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 58 79.901 -2.391 3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 58 79.033 0.950 4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.431 0.551 4.732 1.00 0.00 H new ATOM 931 N LEU A 59 84.290 -2.363 5.406 1.00 0.00 N ATOM 932 CA LEU A 59 85.365 -2.410 6.399 1.00 0.00 C ATOM 933 C LEU A 59 85.268 -1.224 7.354 1.00 0.00 C ATOM 934 O LEU A 59 84.881 -0.125 6.957 1.00 0.00 O ATOM 935 CB LEU A 59 86.732 -2.405 5.707 1.00 0.00 C ATOM 936 CG LEU A 59 86.882 -3.662 4.841 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.063 -3.488 3.882 1.00 0.00 C ATOM 938 CD2 LEU A 59 87.131 -4.878 5.740 1.00 0.00 C ATOM 0 H LEU A 59 84.568 -2.004 4.493 1.00 0.00 H new ATOM 0 HA LEU A 59 85.258 -3.332 6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 59 86.834 -1.513 5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.527 -2.369 6.452 1.00 0.00 H new ATOM 0 HG LEU A 59 85.968 -3.815 4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.168 -4.382 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 59 87.886 -2.625 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 59 88.977 -3.332 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 59 87.237 -5.771 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 59 88.043 -4.724 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 59 86.289 -5.006 6.421 1.00 0.00 H new ATOM 950 N GLU A 60 85.623 -1.461 8.616 1.00 0.00 N ATOM 951 CA GLU A 60 85.575 -0.411 9.629 1.00 0.00 C ATOM 952 C GLU A 60 86.918 0.306 9.727 1.00 0.00 C ATOM 953 O GLU A 60 87.974 -0.322 9.663 1.00 0.00 O ATOM 954 CB GLU A 60 85.207 -1.008 10.994 1.00 0.00 C ATOM 955 CG GLU A 60 86.109 -2.208 11.306 1.00 0.00 C ATOM 956 CD GLU A 60 85.333 -3.511 11.133 1.00 0.00 C ATOM 957 OE1 GLU A 60 85.171 -3.936 10.001 1.00 0.00 O ATOM 958 OE2 GLU A 60 84.910 -4.063 12.136 1.00 0.00 O ATOM 0 H GLU A 60 85.945 -2.366 8.959 1.00 0.00 H new ATOM 0 HA GLU A 60 84.813 0.311 9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.314 -0.251 11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 60 84.162 -1.319 10.994 1.00 0.00 H new ATOM 0 HG2 GLU A 60 86.976 -2.202 10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 60 86.486 -2.133 12.326 1.00 0.00 H new ATOM 965 N ASP A 61 86.868 1.627 9.869 1.00 0.00 N ATOM 966 CA ASP A 61 88.085 2.430 9.965 1.00 0.00 C ATOM 967 C ASP A 61 88.990 1.939 11.099 1.00 0.00 C ATOM 968 O ASP A 61 90.154 2.332 11.184 1.00 0.00 O ATOM 969 CB ASP A 61 87.717 3.900 10.193 1.00 0.00 C ATOM 970 CG ASP A 61 87.360 4.138 11.659 1.00 0.00 C ATOM 971 OD1 ASP A 61 86.287 3.718 12.064 1.00 0.00 O ATOM 972 OD2 ASP A 61 88.163 4.736 12.356 1.00 0.00 O ATOM 0 H ASP A 61 86.002 2.164 9.920 1.00 0.00 H new ATOM 0 HA ASP A 61 88.633 2.329 9.028 1.00 0.00 H new ATOM 0 HB2 ASP A 61 88.552 4.539 9.907 1.00 0.00 H new ATOM 0 HB3 ASP A 61 86.874 4.173 9.558 1.00 0.00 H new ATOM 977 N GLY A 62 88.450 1.084 11.968 1.00 0.00 N ATOM 978 CA GLY A 62 89.217 0.556 13.095 1.00 0.00 C ATOM 979 C GLY A 62 89.868 -0.787 12.762 1.00 0.00 C ATOM 980 O GLY A 62 90.667 -1.304 13.546 1.00 0.00 O ATOM 0 H GLY A 62 87.490 0.744 11.913 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.988 1.273 13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.561 0.438 13.957 1.00 0.00 H new ATOM 984 N ARG A 63 89.526 -1.353 11.605 1.00 0.00 N ATOM 985 CA ARG A 63 90.091 -2.639 11.196 1.00 0.00 C ATOM 986 C ARG A 63 91.590 -2.516 10.936 1.00 0.00 C ATOM 987 O ARG A 63 92.101 -1.422 10.698 1.00 0.00 O ATOM 988 CB ARG A 63 89.393 -3.150 9.926 1.00 0.00 C ATOM 989 CG ARG A 63 88.678 -4.475 10.216 1.00 0.00 C ATOM 990 CD ARG A 63 89.588 -5.650 9.843 1.00 0.00 C ATOM 991 NE ARG A 63 89.796 -5.693 8.398 1.00 0.00 N ATOM 992 CZ ARG A 63 90.313 -6.766 7.807 1.00 0.00 C ATOM 993 NH1 ARG A 63 89.587 -7.839 7.655 1.00 0.00 N ATOM 994 NH2 ARG A 63 91.545 -6.746 7.381 1.00 0.00 N ATOM 0 H ARG A 63 88.868 -0.947 10.940 1.00 0.00 H new ATOM 0 HA ARG A 63 89.931 -3.349 12.008 1.00 0.00 H new ATOM 0 HB2 ARG A 63 88.675 -2.410 9.573 1.00 0.00 H new ATOM 0 HB3 ARG A 63 90.125 -3.289 9.130 1.00 0.00 H new ATOM 0 HG2 ARG A 63 88.411 -4.531 11.271 1.00 0.00 H new ATOM 0 HG3 ARG A 63 87.749 -4.529 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 63 90.547 -5.552 10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 63 89.142 -6.585 10.181 1.00 0.00 H new ATOM 0 HE ARG A 63 89.540 -4.884 7.831 1.00 0.00 H new ATOM 0 HH11 ARG A 63 88.623 -7.854 7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 63 89.983 -8.663 7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 63 92.113 -5.907 7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 63 91.941 -7.569 6.928 1.00 0.00 H new ATOM 1008 N THR A 64 92.284 -3.652 10.983 1.00 0.00 N ATOM 1009 CA THR A 64 93.725 -3.675 10.750 1.00 0.00 C ATOM 1010 C THR A 64 94.047 -4.454 9.479 1.00 0.00 C ATOM 1011 O THR A 64 93.241 -5.255 9.006 1.00 0.00 O ATOM 1012 CB THR A 64 94.443 -4.318 11.944 1.00 0.00 C ATOM 1013 OG1 THR A 64 93.607 -5.310 12.524 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.768 -3.248 12.989 1.00 0.00 C ATOM 0 H THR A 64 91.873 -4.565 11.180 1.00 0.00 H new ATOM 0 HA THR A 64 94.071 -2.648 10.633 1.00 0.00 H new ATOM 0 HB THR A 64 95.369 -4.779 11.601 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.067 -5.721 13.285 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.278 -3.709 13.835 1.00 0.00 H new ATOM 0 HG22 THR A 64 95.414 -2.490 12.545 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.844 -2.782 13.332 1.00 0.00 H new ATOM 1022 N LEU A 65 95.231 -4.203 8.931 1.00 0.00 N ATOM 1023 CA LEU A 65 95.667 -4.874 7.711 1.00 0.00 C ATOM 1024 C LEU A 65 96.045 -6.325 8.009 1.00 0.00 C ATOM 1025 O LEU A 65 95.751 -7.230 7.227 1.00 0.00 O ATOM 1026 CB LEU A 65 96.869 -4.113 7.117 1.00 0.00 C ATOM 1027 CG LEU A 65 96.377 -2.922 6.268 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.508 -2.422 5.366 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.192 -3.338 5.387 1.00 0.00 C ATOM 0 H LEU A 65 95.906 -3.540 9.312 1.00 0.00 H new ATOM 0 HA LEU A 65 94.852 -4.879 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.515 -3.755 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.467 -4.785 6.502 1.00 0.00 H new ATOM 0 HG LEU A 65 96.061 -2.130 6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.153 -1.581 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.349 -2.102 5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 65 97.828 -3.227 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.860 -2.484 4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.500 -4.143 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.373 -3.683 6.018 1.00 0.00 H new ATOM 1041 N SER A 66 96.697 -6.532 9.148 1.00 0.00 N ATOM 1042 CA SER A 66 97.119 -7.869 9.562 1.00 0.00 C ATOM 1043 C SER A 66 95.916 -8.722 9.961 1.00 0.00 C ATOM 1044 O SER A 66 96.037 -9.935 10.139 1.00 0.00 O ATOM 1045 CB SER A 66 98.089 -7.764 10.741 1.00 0.00 C ATOM 1046 OG SER A 66 98.284 -9.052 11.314 1.00 0.00 O ATOM 0 H SER A 66 96.946 -5.791 9.803 1.00 0.00 H new ATOM 0 HA SER A 66 97.617 -8.348 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 66 99.042 -7.356 10.406 1.00 0.00 H new ATOM 0 HB3 SER A 66 97.694 -7.077 11.490 1.00 0.00 H new ATOM 0 HG SER A 66 97.793 -9.720 10.792 1.00 0.00 H new ATOM 1052 N ASP A 67 94.754 -8.084 10.086 1.00 0.00 N ATOM 1053 CA ASP A 67 93.533 -8.800 10.453 1.00 0.00 C ATOM 1054 C ASP A 67 93.197 -9.846 9.392 1.00 0.00 C ATOM 1055 O ASP A 67 92.526 -10.840 9.673 1.00 0.00 O ATOM 1056 CB ASP A 67 92.371 -7.810 10.590 1.00 0.00 C ATOM 1057 CG ASP A 67 91.106 -8.537 11.039 1.00 0.00 C ATOM 1058 OD1 ASP A 67 90.393 -9.033 10.181 1.00 0.00 O ATOM 1059 OD2 ASP A 67 90.867 -8.585 12.234 1.00 0.00 O ATOM 0 H ASP A 67 94.632 -7.082 9.940 1.00 0.00 H new ATOM 0 HA ASP A 67 93.692 -9.302 11.407 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.628 -7.034 11.311 1.00 0.00 H new ATOM 0 HB3 ASP A 67 92.194 -7.313 9.636 1.00 0.00 H new ATOM 1064 N TYR A 68 93.684 -9.611 8.177 1.00 0.00 N ATOM 1065 CA TYR A 68 93.452 -10.530 7.067 1.00 0.00 C ATOM 1066 C TYR A 68 94.777 -10.945 6.432 1.00 0.00 C ATOM 1067 O TYR A 68 94.804 -11.775 5.522 1.00 0.00 O ATOM 1068 CB TYR A 68 92.561 -9.863 6.015 1.00 0.00 C ATOM 1069 CG TYR A 68 91.944 -10.920 5.126 1.00 0.00 C ATOM 1070 CD1 TYR A 68 90.884 -11.703 5.599 1.00 0.00 C ATOM 1071 CD2 TYR A 68 92.434 -11.116 3.828 1.00 0.00 C ATOM 1072 CE1 TYR A 68 90.314 -12.682 4.775 1.00 0.00 C ATOM 1073 CE2 TYR A 68 91.863 -12.094 3.005 1.00 0.00 C ATOM 1074 CZ TYR A 68 90.804 -12.877 3.479 1.00 0.00 C ATOM 1075 OH TYR A 68 90.242 -13.841 2.668 1.00 0.00 O ATOM 0 H TYR A 68 94.242 -8.792 7.936 1.00 0.00 H new ATOM 0 HA TYR A 68 92.953 -11.420 7.451 1.00 0.00 H new ATOM 0 HB2 TYR A 68 91.778 -9.282 6.503 1.00 0.00 H new ATOM 0 HB3 TYR A 68 93.148 -9.167 5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 68 90.506 -11.552 6.599 1.00 0.00 H new ATOM 0 HD2 TYR A 68 93.252 -10.513 3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 68 89.497 -13.286 5.140 1.00 0.00 H new ATOM 0 HE2 TYR A 68 92.240 -12.244 2.004 1.00 0.00 H new ATOM 0 HH TYR A 68 90.698 -13.845 1.801 1.00 0.00 H new ATOM 1085 N ASN A 69 95.869 -10.344 6.907 1.00 0.00 N ATOM 1086 CA ASN A 69 97.200 -10.633 6.376 1.00 0.00 C ATOM 1087 C ASN A 69 97.397 -9.895 5.054 1.00 0.00 C ATOM 1088 O ASN A 69 98.115 -10.357 4.165 1.00 0.00 O ATOM 1089 CB ASN A 69 97.389 -12.142 6.174 1.00 0.00 C ATOM 1090 CG ASN A 69 98.847 -12.524 6.413 1.00 0.00 C ATOM 1091 OD1 ASN A 69 99.156 -13.217 7.382 1.00 0.00 O ATOM 1092 ND2 ASN A 69 99.766 -12.107 5.585 1.00 0.00 N ATOM 0 H ASN A 69 95.857 -9.654 7.658 1.00 0.00 H new ATOM 0 HA ASN A 69 97.945 -10.291 7.094 1.00 0.00 H new ATOM 0 HB2 ASN A 69 96.744 -12.692 6.859 1.00 0.00 H new ATOM 0 HB3 ASN A 69 97.093 -12.421 5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 69 100.743 -12.355 5.740 1.00 0.00 H new ATOM 0 HD22 ASN A 69 99.507 -11.533 4.783 1.00 0.00 H new ATOM 1099 N ILE A 70 96.746 -8.740 4.942 1.00 0.00 N ATOM 1100 CA ILE A 70 96.839 -7.922 3.739 1.00 0.00 C ATOM 1101 C ILE A 70 98.273 -7.442 3.535 1.00 0.00 C ATOM 1102 O ILE A 70 98.840 -6.769 4.396 1.00 0.00 O ATOM 1103 CB ILE A 70 95.895 -6.718 3.860 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.443 -7.192 3.701 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.218 -5.690 2.772 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.544 -6.455 4.698 1.00 0.00 C ATOM 0 H ILE A 70 96.148 -8.350 5.671 1.00 0.00 H new ATOM 0 HA ILE A 70 96.547 -8.523 2.878 1.00 0.00 H new ATOM 0 HB ILE A 70 96.026 -6.256 4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 70 94.100 -7.007 2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.382 -8.267 3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.544 -4.838 2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.248 -5.352 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 70 96.092 -6.147 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.515 -6.795 4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 70 93.881 -6.662 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 70 93.595 -5.383 4.510 1.00 0.00 H new ATOM 1118 N GLN A 71 98.851 -7.797 2.389 1.00 0.00 N ATOM 1119 CA GLN A 71 100.220 -7.404 2.075 1.00 0.00 C ATOM 1120 C GLN A 71 100.256 -6.526 0.826 1.00 0.00 C ATOM 1121 O GLN A 71 99.218 -6.116 0.311 1.00 0.00 O ATOM 1122 CB GLN A 71 101.084 -8.650 1.849 1.00 0.00 C ATOM 1123 CG GLN A 71 101.157 -9.469 3.142 1.00 0.00 C ATOM 1124 CD GLN A 71 102.506 -10.174 3.239 1.00 0.00 C ATOM 1125 OE1 GLN A 71 103.214 -10.025 4.235 1.00 0.00 O ATOM 1126 NE2 GLN A 71 102.908 -10.935 2.258 1.00 0.00 N ATOM 0 H GLN A 71 98.394 -8.353 1.667 1.00 0.00 H new ATOM 0 HA GLN A 71 100.614 -6.835 2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 71 100.663 -9.256 1.047 1.00 0.00 H new ATOM 0 HB3 GLN A 71 102.086 -8.358 1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 71 101.016 -8.817 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 71 100.352 -10.203 3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 71 102.320 -11.057 1.434 1.00 0.00 H new ATOM 0 HE22 GLN A 71 103.810 -11.407 2.316 1.00 0.00 H new ATOM 1135 N ARG A 72 101.464 -6.243 0.352 1.00 0.00 N ATOM 1136 CA ARG A 72 101.648 -5.409 -0.834 1.00 0.00 C ATOM 1137 C ARG A 72 100.851 -5.944 -2.023 1.00 0.00 C ATOM 1138 O ARG A 72 100.122 -5.197 -2.677 1.00 0.00 O ATOM 1139 CB ARG A 72 103.132 -5.350 -1.205 1.00 0.00 C ATOM 1140 CG ARG A 72 103.807 -6.689 -0.882 1.00 0.00 C ATOM 1141 CD ARG A 72 104.898 -6.988 -1.916 1.00 0.00 C ATOM 1142 NE ARG A 72 104.749 -8.346 -2.436 1.00 0.00 N ATOM 1143 CZ ARG A 72 104.779 -9.406 -1.628 1.00 0.00 C ATOM 1144 NH1 ARG A 72 105.093 -9.264 -0.369 1.00 0.00 N ATOM 1145 NH2 ARG A 72 104.496 -10.590 -2.097 1.00 0.00 N ATOM 0 H ARG A 72 102.332 -6.578 0.770 1.00 0.00 H new ATOM 0 HA ARG A 72 101.283 -4.410 -0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.241 -5.125 -2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.621 -4.545 -0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.241 -6.655 0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.066 -7.488 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.839 -6.270 -2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.881 -6.872 -1.460 1.00 0.00 H new ATOM 0 HE ARG A 72 104.619 -8.486 -3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 72 105.316 -8.340 -0.000 1.00 0.00 H new ATOM 0 HH12 ARG A 72 105.115 -10.077 0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 72 104.252 -10.704 -3.081 1.00 0.00 H new ATOM 0 HH22 ARG A 72 104.519 -11.402 -1.480 1.00 0.00 H new ATOM 1159 N GLU A 73 101.005 -7.236 -2.306 1.00 0.00 N ATOM 1160 CA GLU A 73 100.307 -7.863 -3.428 1.00 0.00 C ATOM 1161 C GLU A 73 98.812 -8.019 -3.139 1.00 0.00 C ATOM 1162 O GLU A 73 98.199 -9.016 -3.526 1.00 0.00 O ATOM 1163 CB GLU A 73 100.925 -9.236 -3.720 1.00 0.00 C ATOM 1164 CG GLU A 73 101.054 -10.031 -2.416 1.00 0.00 C ATOM 1165 CD GLU A 73 100.855 -11.519 -2.688 1.00 0.00 C ATOM 1166 OE1 GLU A 73 101.836 -12.188 -2.965 1.00 0.00 O ATOM 1167 OE2 GLU A 73 99.723 -11.967 -2.614 1.00 0.00 O ATOM 0 H GLU A 73 101.605 -7.868 -1.776 1.00 0.00 H new ATOM 0 HA GLU A 73 100.417 -7.217 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.304 -9.782 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 73 101.905 -9.114 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.036 -9.862 -1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 73 100.315 -9.683 -1.694 1.00 0.00 H new ATOM 1174 N SER A 74 98.232 -7.029 -2.465 1.00 0.00 N ATOM 1175 CA SER A 74 96.811 -7.066 -2.138 1.00 0.00 C ATOM 1176 C SER A 74 96.059 -5.973 -2.890 1.00 0.00 C ATOM 1177 O SER A 74 96.492 -4.817 -2.932 1.00 0.00 O ATOM 1178 CB SER A 74 96.610 -6.881 -0.635 1.00 0.00 C ATOM 1179 OG SER A 74 97.274 -7.928 0.061 1.00 0.00 O ATOM 0 H SER A 74 98.721 -6.196 -2.137 1.00 0.00 H new ATOM 0 HA SER A 74 96.418 -8.037 -2.438 1.00 0.00 H new ATOM 0 HB2 SER A 74 97.002 -5.914 -0.320 1.00 0.00 H new ATOM 0 HB3 SER A 74 95.547 -6.887 -0.395 1.00 0.00 H new ATOM 0 HG SER A 74 98.242 -7.783 0.024 1.00 0.00 H new ATOM 1185 N THR A 75 94.923 -6.353 -3.474 1.00 0.00 N ATOM 1186 CA THR A 75 94.094 -5.413 -4.218 1.00 0.00 C ATOM 1187 C THR A 75 92.943 -4.929 -3.345 1.00 0.00 C ATOM 1188 O THR A 75 91.972 -5.653 -3.120 1.00 0.00 O ATOM 1189 CB THR A 75 93.545 -6.089 -5.480 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.628 -6.576 -6.262 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.737 -5.079 -6.300 1.00 0.00 C ATOM 0 H THR A 75 94.558 -7.305 -3.445 1.00 0.00 H new ATOM 0 HA THR A 75 94.702 -4.556 -4.509 1.00 0.00 H new ATOM 0 HB THR A 75 92.898 -6.918 -5.193 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.280 -7.010 -7.069 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.349 -5.565 -7.196 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.906 -4.706 -5.701 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.380 -4.247 -6.588 1.00 0.00 H new ATOM 1199 N LEU A 76 93.065 -3.703 -2.850 1.00 0.00 N ATOM 1200 CA LEU A 76 92.038 -3.122 -1.993 1.00 0.00 C ATOM 1201 C LEU A 76 90.953 -2.458 -2.831 1.00 0.00 C ATOM 1202 O LEU A 76 91.197 -2.044 -3.965 1.00 0.00 O ATOM 1203 CB LEU A 76 92.668 -2.082 -1.059 1.00 0.00 C ATOM 1204 CG LEU A 76 92.949 -2.715 0.308 1.00 0.00 C ATOM 1205 CD1 LEU A 76 94.146 -3.665 0.199 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.258 -1.614 1.331 1.00 0.00 C ATOM 0 H LEU A 76 93.863 -3.093 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 76 91.588 -3.921 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.594 -1.704 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 76 91.998 -1.229 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 76 92.072 -3.275 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 76 94.344 -4.114 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 76 93.923 -4.450 -0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 76 95.024 -3.108 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.458 -2.066 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 76 94.133 -1.051 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 76 92.403 -0.942 1.412 1.00 0.00 H new ATOM 1218 N HIS A 77 89.760 -2.351 -2.258 1.00 0.00 N ATOM 1219 CA HIS A 77 88.639 -1.720 -2.944 1.00 0.00 C ATOM 1220 C HIS A 77 88.139 -0.541 -2.116 1.00 0.00 C ATOM 1221 O HIS A 77 87.615 -0.721 -1.013 1.00 0.00 O ATOM 1222 CB HIS A 77 87.509 -2.728 -3.157 1.00 0.00 C ATOM 1223 CG HIS A 77 86.465 -2.125 -4.056 1.00 0.00 C ATOM 1224 ND1 HIS A 77 85.762 -0.981 -3.710 1.00 0.00 N ATOM 1225 CD2 HIS A 77 85.997 -2.491 -5.293 1.00 0.00 C ATOM 1226 CE1 HIS A 77 84.918 -0.702 -4.719 1.00 0.00 C ATOM 1227 NE2 HIS A 77 85.021 -1.591 -5.711 1.00 0.00 N ATOM 0 H HIS A 77 89.544 -2.692 -1.321 1.00 0.00 H new ATOM 0 HA HIS A 77 88.971 -1.364 -3.919 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.902 -3.643 -3.600 1.00 0.00 H new ATOM 0 HB3 HIS A 77 87.066 -3.002 -2.200 1.00 0.00 H new ATOM 0 HD2 HIS A 77 86.335 -3.348 -5.857 1.00 0.00 H new ATOM 0 HE1 HIS A 77 84.240 0.138 -4.727 1.00 0.00 H new ATOM 0 HE2 HIS A 77 84.497 -1.607 -6.586 1.00 0.00 H new ATOM 1235 N LEU A 78 88.309 0.662 -2.652 1.00 0.00 N ATOM 1236 CA LEU A 78 87.886 1.872 -1.960 1.00 0.00 C ATOM 1237 C LEU A 78 86.581 2.403 -2.543 1.00 0.00 C ATOM 1238 O LEU A 78 86.399 2.433 -3.760 1.00 0.00 O ATOM 1239 CB LEU A 78 88.982 2.934 -2.095 1.00 0.00 C ATOM 1240 CG LEU A 78 88.706 4.099 -1.137 1.00 0.00 C ATOM 1241 CD1 LEU A 78 90.013 4.529 -0.464 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.124 5.280 -1.922 1.00 0.00 C ATOM 0 H LEU A 78 88.737 0.825 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 78 87.719 1.638 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 78 89.955 2.494 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.022 3.298 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 78 87.993 3.781 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.816 5.357 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.427 3.690 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.727 4.846 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 78 87.928 6.108 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 78 88.837 5.597 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.193 4.975 -2.401 1.00 0.00 H new ATOM 1254 N VAL A 79 85.679 2.826 -1.664 1.00 0.00 N ATOM 1255 CA VAL A 79 84.395 3.365 -2.094 1.00 0.00 C ATOM 1256 C VAL A 79 84.448 4.894 -2.097 1.00 0.00 C ATOM 1257 O VAL A 79 84.784 5.514 -1.085 1.00 0.00 O ATOM 1258 CB VAL A 79 83.285 2.863 -1.158 1.00 0.00 C ATOM 1259 CG1 VAL A 79 82.188 3.921 -1.017 1.00 0.00 C ATOM 1260 CG2 VAL A 79 82.674 1.583 -1.737 1.00 0.00 C ATOM 0 H VAL A 79 85.813 2.806 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 79 84.178 3.025 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 79 83.716 2.663 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 79 81.409 3.551 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 79 82.615 4.835 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 79 81.758 4.132 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 79 81.886 1.224 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 79 82.254 1.793 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.447 0.820 -1.828 1.00 0.00 H new ATOM 1270 N LEU A 80 84.126 5.488 -3.246 1.00 0.00 N ATOM 1271 CA LEU A 80 84.147 6.943 -3.390 1.00 0.00 C ATOM 1272 C LEU A 80 82.743 7.525 -3.229 1.00 0.00 C ATOM 1273 O LEU A 80 81.821 7.159 -3.959 1.00 0.00 O ATOM 1274 CB LEU A 80 84.701 7.314 -4.774 1.00 0.00 C ATOM 1275 CG LEU A 80 85.782 8.395 -4.641 1.00 0.00 C ATOM 1276 CD1 LEU A 80 85.195 9.638 -3.961 1.00 0.00 C ATOM 1277 CD2 LEU A 80 86.953 7.856 -3.808 1.00 0.00 C ATOM 0 H LEU A 80 83.848 4.985 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 80 84.786 7.359 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.118 6.430 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 80 83.894 7.673 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 80 86.140 8.666 -5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 80 85.967 10.402 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 80 84.371 10.025 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.829 9.372 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.719 8.626 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.596 7.578 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 80 87.377 6.980 -4.300 1.00 0.00 H new ATOM 1289 N ARG A 81 82.595 8.440 -2.270 1.00 0.00 N ATOM 1290 CA ARG A 81 81.304 9.079 -2.017 1.00 0.00 C ATOM 1291 C ARG A 81 80.965 10.073 -3.124 1.00 0.00 C ATOM 1292 O ARG A 81 81.678 10.168 -4.124 1.00 0.00 O ATOM 1293 CB ARG A 81 81.339 9.809 -0.670 1.00 0.00 C ATOM 1294 CG ARG A 81 80.828 8.880 0.436 1.00 0.00 C ATOM 1295 CD ARG A 81 80.461 9.707 1.670 1.00 0.00 C ATOM 1296 NE ARG A 81 79.687 8.899 2.607 1.00 0.00 N ATOM 1297 CZ ARG A 81 78.914 9.464 3.529 1.00 0.00 C ATOM 1298 NH1 ARG A 81 79.254 10.610 4.055 1.00 0.00 N ATOM 1299 NH2 ARG A 81 77.816 8.873 3.911 1.00 0.00 N ATOM 0 H ARG A 81 83.349 8.754 -1.659 1.00 0.00 H new ATOM 0 HA ARG A 81 80.538 8.304 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 81 82.356 10.131 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 81 80.723 10.707 -0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 81 79.958 8.325 0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 81 81.593 8.146 0.691 1.00 0.00 H new ATOM 0 HD2 ARG A 81 81.367 10.071 2.155 1.00 0.00 H new ATOM 0 HD3 ARG A 81 79.885 10.583 1.372 1.00 0.00 H new ATOM 0 HE ARG A 81 79.740 7.882 2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 81 80.113 11.072 3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 81 78.660 11.043 4.762 1.00 0.00 H new ATOM 0 HH21 ARG A 81 77.550 7.977 3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 81 77.223 9.307 4.619 1.00 0.00 H new ATOM 1313 N LEU A 82 79.876 10.814 -2.933 1.00 0.00 N ATOM 1314 CA LEU A 82 79.451 11.803 -3.917 1.00 0.00 C ATOM 1315 C LEU A 82 79.062 13.110 -3.232 1.00 0.00 C ATOM 1316 O LEU A 82 77.965 13.237 -2.686 1.00 0.00 O ATOM 1317 CB LEU A 82 78.262 11.267 -4.725 1.00 0.00 C ATOM 1318 CG LEU A 82 78.479 11.545 -6.216 1.00 0.00 C ATOM 1319 CD1 LEU A 82 78.793 13.032 -6.427 1.00 0.00 C ATOM 1320 CD2 LEU A 82 79.646 10.693 -6.729 1.00 0.00 C ATOM 0 H LEU A 82 79.276 10.748 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 82 80.285 11.996 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 82 78.151 10.196 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 82 77.339 11.740 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 82 77.573 11.290 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 82 78.946 13.224 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 82 77.960 13.635 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 82 79.696 13.295 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 82 79.801 10.890 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 82 80.551 10.945 -6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 82 79.416 9.637 -6.586 1.00 0.00 H new ATOM 1332 N ARG A 83 79.973 14.081 -3.270 1.00 0.00 N ATOM 1333 CA ARG A 83 79.722 15.382 -2.655 1.00 0.00 C ATOM 1334 C ARG A 83 79.263 16.389 -3.707 1.00 0.00 C ATOM 1335 O ARG A 83 78.530 17.329 -3.400 1.00 0.00 O ATOM 1336 CB ARG A 83 80.998 15.890 -1.977 1.00 0.00 C ATOM 1337 CG ARG A 83 80.629 16.734 -0.753 1.00 0.00 C ATOM 1338 CD ARG A 83 81.906 17.206 -0.051 1.00 0.00 C ATOM 1339 NE ARG A 83 82.161 18.610 -0.356 1.00 0.00 N ATOM 1340 CZ ARG A 83 82.911 19.359 0.444 1.00 0.00 C ATOM 1341 NH1 ARG A 83 84.205 19.394 0.281 1.00 0.00 N ATOM 1342 NH2 ARG A 83 82.353 20.059 1.393 1.00 0.00 N ATOM 0 H ARG A 83 80.885 13.992 -3.717 1.00 0.00 H new ATOM 0 HA ARG A 83 78.935 15.270 -1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 83 81.622 15.048 -1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 83 81.582 16.485 -2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 83 80.031 17.593 -1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 83 80.019 16.148 -0.065 1.00 0.00 H new ATOM 0 HD2 ARG A 83 81.808 17.073 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 83 82.752 16.598 -0.372 1.00 0.00 H new ATOM 0 HE ARG A 83 81.757 19.023 -1.197 1.00 0.00 H new ATOM 0 HH11 ARG A 83 84.641 18.846 -0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 83 84.781 19.969 0.895 1.00 0.00 H new ATOM 0 HH21 ARG A 83 81.341 20.031 1.520 1.00 0.00 H new ATOM 0 HH22 ARG A 83 82.928 20.635 2.008 1.00 0.00 H new ATOM 1356 N GLY A 84 79.699 16.182 -4.949 1.00 0.00 N ATOM 1357 CA GLY A 84 79.327 17.075 -6.043 1.00 0.00 C ATOM 1358 C GLY A 84 80.400 17.089 -7.127 1.00 0.00 C ATOM 1359 O GLY A 84 81.574 16.831 -6.856 1.00 0.00 O ATOM 0 H GLY A 84 80.306 15.409 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 84 78.377 16.755 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 84 79.180 18.084 -5.659 1.00 0.00 H new ATOM 1363 N GLY A 85 79.987 17.393 -8.356 1.00 0.00 N ATOM 1364 CA GLY A 85 80.916 17.442 -9.482 1.00 0.00 C ATOM 1365 C GLY A 85 81.450 16.052 -9.820 1.00 0.00 C ATOM 1366 O GLY A 85 82.496 15.920 -10.456 1.00 0.00 O ATOM 0 H GLY A 85 79.019 17.608 -8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 85 80.414 17.863 -10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 85 81.747 18.105 -9.242 1.00 0.00 H new ATOM 1370 N SER A 86 80.726 15.021 -9.390 1.00 0.00 N ATOM 1371 CA SER A 86 81.135 13.642 -9.650 1.00 0.00 C ATOM 1372 C SER A 86 79.928 12.709 -9.609 1.00 0.00 C ATOM 1373 O SER A 86 80.077 11.492 -9.485 1.00 0.00 O ATOM 1374 CB SER A 86 82.166 13.199 -8.608 1.00 0.00 C ATOM 1375 OG SER A 86 83.430 13.769 -8.922 1.00 0.00 O ATOM 0 H SER A 86 79.858 15.113 -8.863 1.00 0.00 H new ATOM 0 HA SER A 86 81.581 13.594 -10.643 1.00 0.00 H new ATOM 0 HB2 SER A 86 81.851 13.512 -7.613 1.00 0.00 H new ATOM 0 HB3 SER A 86 82.239 12.112 -8.592 1.00 0.00 H new ATOM 0 HG SER A 86 83.308 14.507 -9.555 1.00 0.00 H new ATOM 1381 N MET A 87 78.732 13.288 -9.714 1.00 0.00 N ATOM 1382 CA MET A 87 77.498 12.504 -9.684 1.00 0.00 C ATOM 1383 C MET A 87 77.558 11.366 -10.700 1.00 0.00 C ATOM 1384 O MET A 87 77.413 10.196 -10.341 1.00 0.00 O ATOM 1385 CB MET A 87 76.297 13.407 -9.990 1.00 0.00 C ATOM 1386 CG MET A 87 75.344 13.428 -8.792 1.00 0.00 C ATOM 1387 SD MET A 87 74.221 12.012 -8.889 1.00 0.00 S ATOM 1388 CE MET A 87 73.584 12.106 -7.197 1.00 0.00 C ATOM 0 H MET A 87 78.592 14.293 -9.820 1.00 0.00 H new ATOM 0 HA MET A 87 77.386 12.077 -8.688 1.00 0.00 H new ATOM 0 HB2 MET A 87 76.638 14.418 -10.212 1.00 0.00 H new ATOM 0 HB3 MET A 87 75.775 13.045 -10.875 1.00 0.00 H new ATOM 0 HG2 MET A 87 75.911 13.393 -7.862 1.00 0.00 H new ATOM 0 HG3 MET A 87 74.775 14.357 -8.783 1.00 0.00 H new ATOM 0 HE1 MET A 87 72.716 11.454 -7.098 1.00 0.00 H new ATOM 0 HE2 MET A 87 74.358 11.788 -6.499 1.00 0.00 H new ATOM 0 HE3 MET A 87 73.294 13.133 -6.974 1.00 0.00 H new ATOM 1398 N GLY A 88 77.773 11.722 -11.966 1.00 0.00 N ATOM 1399 CA GLY A 88 77.854 10.728 -13.034 1.00 0.00 C ATOM 1400 C GLY A 88 76.611 9.842 -13.051 1.00 0.00 C ATOM 1401 O GLY A 88 75.599 10.188 -13.662 1.00 0.00 O ATOM 0 H GLY A 88 77.894 12.686 -12.276 1.00 0.00 H new ATOM 0 HA2 GLY A 88 77.961 11.230 -13.996 1.00 0.00 H new ATOM 0 HA3 GLY A 88 78.742 10.112 -12.896 1.00 0.00 H new ATOM 1405 N GLY A 89 76.699 8.698 -12.376 1.00 0.00 N ATOM 1406 CA GLY A 89 75.579 7.764 -12.315 1.00 0.00 C ATOM 1407 C GLY A 89 75.904 6.585 -11.405 1.00 0.00 C ATOM 1408 O GLY A 89 75.019 6.026 -10.756 1.00 0.00 O ATOM 0 H GLY A 89 77.530 8.397 -11.866 1.00 0.00 H new ATOM 0 HA2 GLY A 89 74.691 8.278 -11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 89 75.347 7.402 -13.317 1.00 0.00 H new ATOM 1412 N ALA A 90 77.183 6.214 -11.363 1.00 0.00 N ATOM 1413 CA ALA A 90 77.621 5.098 -10.530 1.00 0.00 C ATOM 1414 C ALA A 90 77.496 5.458 -9.052 1.00 0.00 C ATOM 1415 O ALA A 90 76.627 4.943 -8.350 1.00 0.00 O ATOM 1416 CB ALA A 90 79.076 4.744 -10.854 1.00 0.00 C ATOM 0 H ALA A 90 77.928 6.667 -11.892 1.00 0.00 H new ATOM 0 HA ALA A 90 76.986 4.237 -10.738 1.00 0.00 H new ATOM 0 HB1 ALA A 90 79.396 3.911 -10.228 1.00 0.00 H new ATOM 0 HB2 ALA A 90 79.157 4.462 -11.904 1.00 0.00 H new ATOM 0 HB3 ALA A 90 79.712 5.608 -10.661 1.00 0.00 H new ATOM 1422 N ALA A 91 78.369 6.350 -8.591 1.00 0.00 N ATOM 1423 CA ALA A 91 78.346 6.778 -7.197 1.00 0.00 C ATOM 1424 C ALA A 91 77.378 7.943 -7.023 1.00 0.00 C ATOM 1425 O ALA A 91 77.403 8.903 -7.794 1.00 0.00 O ATOM 1426 CB ALA A 91 79.749 7.200 -6.756 1.00 0.00 C ATOM 0 H ALA A 91 79.096 6.787 -9.158 1.00 0.00 H new ATOM 0 HA ALA A 91 78.013 5.944 -6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 91 79.723 7.518 -5.714 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.432 6.357 -6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.093 8.026 -7.379 1.00 0.00 H new ATOM 1432 N ASP A 92 76.522 7.846 -6.011 1.00 0.00 N ATOM 1433 CA ASP A 92 75.542 8.894 -5.742 1.00 0.00 C ATOM 1434 C ASP A 92 75.342 9.059 -4.239 1.00 0.00 C ATOM 1435 O ASP A 92 74.271 9.464 -3.783 1.00 0.00 O ATOM 1436 CB ASP A 92 74.208 8.544 -6.411 1.00 0.00 C ATOM 1437 CG ASP A 92 74.441 8.155 -7.870 1.00 0.00 C ATOM 1438 OD1 ASP A 92 74.452 9.043 -8.707 1.00 0.00 O ATOM 1439 OD2 ASP A 92 74.611 6.974 -8.128 1.00 0.00 O ATOM 0 H ASP A 92 76.486 7.057 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 92 75.912 9.834 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 92 73.730 7.722 -5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 92 73.530 9.396 -6.357 1.00 0.00 H new ATOM 1444 N GLU A 93 76.387 8.741 -3.475 1.00 0.00 N ATOM 1445 CA GLU A 93 76.336 8.851 -2.018 1.00 0.00 C ATOM 1446 C GLU A 93 75.227 7.965 -1.449 1.00 0.00 C ATOM 1447 O GLU A 93 74.246 8.461 -0.892 1.00 0.00 O ATOM 1448 CB GLU A 93 76.109 10.313 -1.611 1.00 0.00 C ATOM 1449 CG GLU A 93 76.580 10.527 -0.168 1.00 0.00 C ATOM 1450 CD GLU A 93 77.266 11.884 -0.040 1.00 0.00 C ATOM 1451 OE1 GLU A 93 76.578 12.850 0.244 1.00 0.00 O ATOM 1452 OE2 GLU A 93 78.470 11.937 -0.230 1.00 0.00 O ATOM 0 H GLU A 93 77.278 8.406 -3.841 1.00 0.00 H new ATOM 0 HA GLU A 93 77.288 8.512 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 93 76.653 10.976 -2.283 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.052 10.565 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 93 75.730 10.474 0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 93 77.269 9.733 0.120 1.00 0.00 H new ATOM 1459 N GLU A 94 75.407 6.651 -1.593 1.00 0.00 N ATOM 1460 CA GLU A 94 74.444 5.661 -1.097 1.00 0.00 C ATOM 1461 C GLU A 94 74.691 4.319 -1.782 1.00 0.00 C ATOM 1462 O GLU A 94 75.316 3.422 -1.214 1.00 0.00 O ATOM 1463 CB GLU A 94 72.998 6.110 -1.369 1.00 0.00 C ATOM 1464 CG GLU A 94 72.305 6.456 -0.047 1.00 0.00 C ATOM 1465 CD GLU A 94 70.890 6.963 -0.316 1.00 0.00 C ATOM 1466 OE1 GLU A 94 70.751 8.136 -0.622 1.00 0.00 O ATOM 1467 OE2 GLU A 94 69.968 6.170 -0.214 1.00 0.00 O ATOM 0 H GLU A 94 76.220 6.242 -2.054 1.00 0.00 H new ATOM 0 HA GLU A 94 74.580 5.563 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 94 72.995 6.977 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 94 72.451 5.318 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 94 72.269 5.576 0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 94 72.877 7.216 0.485 1.00 0.00 H new ATOM 1474 N GLU A 95 74.180 4.194 -3.002 1.00 0.00 N ATOM 1475 CA GLU A 95 74.325 2.966 -3.781 1.00 0.00 C ATOM 1476 C GLU A 95 75.796 2.640 -4.048 1.00 0.00 C ATOM 1477 O GLU A 95 76.114 1.554 -4.526 1.00 0.00 O ATOM 1478 CB GLU A 95 73.584 3.105 -5.114 1.00 0.00 C ATOM 1479 CG GLU A 95 74.073 4.357 -5.850 1.00 0.00 C ATOM 1480 CD GLU A 95 73.529 4.371 -7.276 1.00 0.00 C ATOM 1481 OE1 GLU A 95 74.158 3.777 -8.135 1.00 0.00 O ATOM 1482 OE2 GLU A 95 72.492 4.979 -7.488 1.00 0.00 O ATOM 0 H GLU A 95 73.659 4.931 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 95 73.895 2.150 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 95 73.753 2.221 -5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 95 72.510 3.171 -4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 95 73.747 5.251 -5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.163 4.376 -5.868 1.00 0.00 H new ATOM 1489 N LEU A 96 76.685 3.582 -3.741 1.00 0.00 N ATOM 1490 CA LEU A 96 78.118 3.383 -3.963 1.00 0.00 C ATOM 1491 C LEU A 96 78.651 2.158 -3.215 1.00 0.00 C ATOM 1492 O LEU A 96 79.732 1.659 -3.528 1.00 0.00 O ATOM 1493 CB LEU A 96 78.893 4.640 -3.533 1.00 0.00 C ATOM 1494 CG LEU A 96 79.180 4.618 -2.022 1.00 0.00 C ATOM 1495 CD1 LEU A 96 79.935 5.890 -1.631 1.00 0.00 C ATOM 1496 CD2 LEU A 96 77.871 4.558 -1.234 1.00 0.00 C ATOM 0 H LEU A 96 76.441 4.487 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 96 78.265 3.206 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 96 79.831 4.700 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.318 5.531 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 96 79.780 3.738 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 96 80.140 5.877 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 96 80.876 5.938 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 96 79.328 6.762 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 96 78.089 4.543 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.265 5.433 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 96 77.324 3.655 -1.505 1.00 0.00 H new ATOM 1508 N ILE A 97 77.895 1.680 -2.228 1.00 0.00 N ATOM 1509 CA ILE A 97 78.317 0.517 -1.448 1.00 0.00 C ATOM 1510 C ILE A 97 77.704 -0.764 -2.007 1.00 0.00 C ATOM 1511 O ILE A 97 78.420 -1.710 -2.336 1.00 0.00 O ATOM 1512 CB ILE A 97 77.918 0.698 0.025 1.00 0.00 C ATOM 1513 CG1 ILE A 97 78.962 1.574 0.727 1.00 0.00 C ATOM 1514 CG2 ILE A 97 77.850 -0.663 0.727 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.268 2.508 1.722 1.00 0.00 C ATOM 0 H ILE A 97 76.996 2.075 -1.951 1.00 0.00 H new ATOM 0 HA ILE A 97 79.402 0.433 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 97 76.938 1.173 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.686 0.947 1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.515 2.157 -0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.566 -0.521 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.109 -1.291 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.826 -1.146 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.013 3.129 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 97 77.561 3.145 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 97 77.735 1.916 2.466 1.00 0.00 H new ATOM 1527 N ARG A 98 76.377 -0.790 -2.111 1.00 0.00 N ATOM 1528 CA ARG A 98 75.681 -1.966 -2.628 1.00 0.00 C ATOM 1529 C ARG A 98 76.077 -2.241 -4.076 1.00 0.00 C ATOM 1530 O ARG A 98 76.153 -3.396 -4.497 1.00 0.00 O ATOM 1531 CB ARG A 98 74.164 -1.760 -2.541 1.00 0.00 C ATOM 1532 CG ARG A 98 73.746 -0.595 -3.443 1.00 0.00 C ATOM 1533 CD ARG A 98 72.336 -0.133 -3.068 1.00 0.00 C ATOM 1534 NE ARG A 98 71.382 -1.221 -3.254 1.00 0.00 N ATOM 1535 CZ ARG A 98 70.211 -1.018 -3.849 1.00 0.00 C ATOM 1536 NH1 ARG A 98 69.326 -0.230 -3.300 1.00 0.00 N ATOM 1537 NH2 ARG A 98 69.944 -1.608 -4.983 1.00 0.00 N ATOM 0 H ARG A 98 75.766 -0.017 -1.847 1.00 0.00 H new ATOM 0 HA ARG A 98 75.967 -2.824 -2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.646 -2.670 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 98 73.874 -1.556 -1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.450 0.230 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 98 73.772 -0.904 -4.488 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.319 0.202 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.050 0.720 -3.683 1.00 0.00 H new ATOM 0 HE ARG A 98 71.618 -2.156 -2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 98 69.533 0.230 -2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 98 68.428 -0.075 -3.758 1.00 0.00 H new ATOM 0 HH21 ARG A 98 70.634 -2.225 -5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 98 69.045 -1.452 -5.440 1.00 0.00 H new ATOM 1551 N LYS A 99 76.327 -1.176 -4.831 1.00 0.00 N ATOM 1552 CA LYS A 99 76.712 -1.321 -6.229 1.00 0.00 C ATOM 1553 C LYS A 99 78.148 -1.822 -6.347 1.00 0.00 C ATOM 1554 O LYS A 99 78.460 -2.601 -7.239 1.00 0.00 O ATOM 1555 CB LYS A 99 76.559 0.014 -6.970 1.00 0.00 C ATOM 1556 CG LYS A 99 77.825 0.865 -6.802 1.00 0.00 C ATOM 1557 CD LYS A 99 77.623 2.219 -7.487 1.00 0.00 C ATOM 1558 CE LYS A 99 77.618 2.028 -9.007 1.00 0.00 C ATOM 1559 NZ LYS A 99 76.245 2.268 -9.532 1.00 0.00 N ATOM 0 H LYS A 99 76.271 -0.212 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 99 76.050 -2.056 -6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 99 76.374 -0.169 -8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 99 75.695 0.555 -6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.041 1.009 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 99 78.683 0.350 -7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.683 2.666 -7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 99 78.418 2.906 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 99 78.323 2.716 -9.473 1.00 0.00 H new ATOM 0 HE3 LYS A 99 77.944 1.019 -9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 76.292 2.458 -10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 75.657 1.427 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 75.826 3.087 -9.047 1.00 0.00 H new ATOM 1573 N ALA A 100 79.009 -1.390 -5.424 1.00 0.00 N ATOM 1574 CA ALA A 100 80.406 -1.817 -5.422 1.00 0.00 C ATOM 1575 C ALA A 100 80.504 -3.260 -4.961 1.00 0.00 C ATOM 1576 O ALA A 100 81.435 -3.981 -5.323 1.00 0.00 O ATOM 1577 CB ALA A 100 81.228 -0.917 -4.498 1.00 0.00 C ATOM 0 H ALA A 100 78.763 -0.747 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 100 80.802 -1.739 -6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.268 -1.243 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.169 0.114 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 100 80.833 -0.979 -3.484 1.00 0.00 H new ATOM 1583 N ILE A 101 79.516 -3.679 -4.183 1.00 0.00 N ATOM 1584 CA ILE A 101 79.468 -5.047 -3.698 1.00 0.00 C ATOM 1585 C ILE A 101 79.000 -5.956 -4.831 1.00 0.00 C ATOM 1586 O ILE A 101 79.389 -7.118 -4.918 1.00 0.00 O ATOM 1587 CB ILE A 101 78.517 -5.141 -2.498 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.186 -4.488 -1.280 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.211 -6.612 -2.190 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.122 -4.070 -0.261 1.00 0.00 C ATOM 0 H ILE A 101 78.740 -3.092 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 101 80.459 -5.363 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 101 77.584 -4.626 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 101 79.886 -5.186 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 101 79.763 -3.618 -1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.535 -6.672 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 101 77.742 -7.076 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.138 -7.135 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 101 78.605 -3.608 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.439 -3.356 -0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 101 77.564 -4.948 0.064 1.00 0.00 H new ATOM 1602 N GLU A 102 78.152 -5.407 -5.696 1.00 0.00 N ATOM 1603 CA GLU A 102 77.618 -6.154 -6.829 1.00 0.00 C ATOM 1604 C GLU A 102 78.444 -5.932 -8.103 1.00 0.00 C ATOM 1605 O GLU A 102 78.244 -6.628 -9.100 1.00 0.00 O ATOM 1606 CB GLU A 102 76.170 -5.725 -7.086 1.00 0.00 C ATOM 1607 CG GLU A 102 75.291 -6.139 -5.901 1.00 0.00 C ATOM 1608 CD GLU A 102 73.933 -5.449 -5.991 1.00 0.00 C ATOM 1609 OE1 GLU A 102 73.116 -5.890 -6.783 1.00 0.00 O ATOM 1610 OE2 GLU A 102 73.728 -4.488 -5.265 1.00 0.00 O ATOM 0 H GLU A 102 77.820 -4.445 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 102 77.664 -7.214 -6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.120 -4.646 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 102 75.801 -6.185 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 102 75.159 -7.221 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 102 75.781 -5.874 -4.964 1.00 0.00 H new ATOM 1617 N LEU A 103 79.338 -4.938 -8.087 1.00 0.00 N ATOM 1618 CA LEU A 103 80.136 -4.624 -9.280 1.00 0.00 C ATOM 1619 C LEU A 103 81.491 -5.338 -9.302 1.00 0.00 C ATOM 1620 O LEU A 103 81.700 -6.255 -10.096 1.00 0.00 O ATOM 1621 CB LEU A 103 80.377 -3.106 -9.343 1.00 0.00 C ATOM 1622 CG LEU A 103 79.469 -2.451 -10.394 1.00 0.00 C ATOM 1623 CD1 LEU A 103 80.024 -2.721 -11.795 1.00 0.00 C ATOM 1624 CD2 LEU A 103 78.043 -3.012 -10.291 1.00 0.00 C ATOM 0 H LEU A 103 79.526 -4.346 -7.278 1.00 0.00 H new ATOM 0 HA LEU A 103 79.568 -4.974 -10.142 1.00 0.00 H new ATOM 0 HB2 LEU A 103 80.187 -2.663 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 103 81.421 -2.909 -9.585 1.00 0.00 H new ATOM 0 HG LEU A 103 79.441 -1.377 -10.212 1.00 0.00 H new ATOM 0 HD11 LEU A 103 79.377 -2.255 -12.539 1.00 0.00 H new ATOM 0 HD12 LEU A 103 81.028 -2.304 -11.875 1.00 0.00 H new ATOM 0 HD13 LEU A 103 80.062 -3.796 -11.970 1.00 0.00 H new ATOM 0 HD21 LEU A 103 77.411 -2.539 -11.042 1.00 0.00 H new ATOM 0 HD22 LEU A 103 78.063 -4.089 -10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 103 77.642 -2.807 -9.298 1.00 0.00 H new ATOM 1636 N SER A 104 82.420 -4.881 -8.465 1.00 0.00 N ATOM 1637 CA SER A 104 83.769 -5.450 -8.437 1.00 0.00 C ATOM 1638 C SER A 104 83.922 -6.536 -7.378 1.00 0.00 C ATOM 1639 O SER A 104 84.921 -7.257 -7.364 1.00 0.00 O ATOM 1640 CB SER A 104 84.784 -4.339 -8.171 1.00 0.00 C ATOM 1641 OG SER A 104 86.098 -4.851 -8.340 1.00 0.00 O ATOM 0 H SER A 104 82.267 -4.123 -7.800 1.00 0.00 H new ATOM 0 HA SER A 104 83.948 -5.911 -9.408 1.00 0.00 H new ATOM 0 HB2 SER A 104 84.616 -3.506 -8.854 1.00 0.00 H new ATOM 0 HB3 SER A 104 84.660 -3.952 -7.160 1.00 0.00 H new ATOM 0 HG SER A 104 86.134 -5.774 -8.013 1.00 0.00 H new ATOM 1647 N LEU A 105 82.942 -6.653 -6.494 1.00 0.00 N ATOM 1648 CA LEU A 105 82.999 -7.658 -5.439 1.00 0.00 C ATOM 1649 C LEU A 105 82.601 -9.031 -5.981 1.00 0.00 C ATOM 1650 O LEU A 105 83.147 -10.054 -5.565 1.00 0.00 O ATOM 1651 CB LEU A 105 82.069 -7.244 -4.300 1.00 0.00 C ATOM 1652 CG LEU A 105 82.844 -7.175 -2.980 1.00 0.00 C ATOM 1653 CD1 LEU A 105 83.446 -8.548 -2.659 1.00 0.00 C ATOM 1654 CD2 LEU A 105 83.965 -6.134 -3.090 1.00 0.00 C ATOM 0 H LEU A 105 82.104 -6.071 -6.484 1.00 0.00 H new ATOM 0 HA LEU A 105 84.020 -7.728 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 105 81.624 -6.274 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 105 81.250 -7.958 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 105 82.162 -6.886 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 105 83.996 -8.493 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 105 82.647 -9.284 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 105 84.124 -8.844 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 105 84.513 -6.089 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.646 -6.416 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 105 83.534 -5.157 -3.306 1.00 0.00 H new ATOM 1666 N LYS A 106 81.660 -9.044 -6.921 1.00 0.00 N ATOM 1667 CA LYS A 106 81.209 -10.299 -7.524 1.00 0.00 C ATOM 1668 C LYS A 106 82.147 -10.691 -8.653 1.00 0.00 C ATOM 1669 O LYS A 106 82.316 -11.874 -8.958 1.00 0.00 O ATOM 1670 CB LYS A 106 79.784 -10.143 -8.066 1.00 0.00 C ATOM 1671 CG LYS A 106 78.917 -9.421 -7.032 1.00 0.00 C ATOM 1672 CD LYS A 106 79.190 -9.999 -5.642 1.00 0.00 C ATOM 1673 CE LYS A 106 77.994 -9.734 -4.723 1.00 0.00 C ATOM 1674 NZ LYS A 106 78.446 -9.767 -3.303 1.00 0.00 N ATOM 0 H LYS A 106 81.197 -8.209 -7.281 1.00 0.00 H new ATOM 0 HA LYS A 106 81.214 -11.079 -6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 106 79.799 -9.580 -8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 106 79.360 -11.122 -8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 106 79.134 -8.353 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 106 77.862 -9.534 -7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 106 79.374 -11.071 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 106 80.089 -9.549 -5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 106 77.552 -8.765 -4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 106 77.221 -10.484 -4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 77.636 -9.587 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 78.849 -10.702 -3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 79.169 -9.035 -3.152 1.00 0.00 H new ATOM 1688 N GLU A 107 82.758 -9.683 -9.260 1.00 0.00 N ATOM 1689 CA GLU A 107 83.692 -9.900 -10.352 1.00 0.00 C ATOM 1690 C GLU A 107 84.917 -10.657 -9.852 1.00 0.00 C ATOM 1691 O GLU A 107 85.480 -11.489 -10.565 1.00 0.00 O ATOM 1692 CB GLU A 107 84.114 -8.547 -10.925 1.00 0.00 C ATOM 1693 CG GLU A 107 83.911 -8.537 -12.444 1.00 0.00 C ATOM 1694 CD GLU A 107 83.882 -7.100 -12.959 1.00 0.00 C ATOM 1695 OE1 GLU A 107 82.899 -6.421 -12.708 1.00 0.00 O ATOM 1696 OE2 GLU A 107 84.842 -6.699 -13.596 1.00 0.00 O ATOM 0 H GLU A 107 82.622 -8.703 -9.012 1.00 0.00 H new ATOM 0 HA GLU A 107 83.210 -10.493 -11.129 1.00 0.00 H new ATOM 0 HB2 GLU A 107 83.529 -7.750 -10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.160 -8.352 -10.688 1.00 0.00 H new ATOM 0 HG2 GLU A 107 84.715 -9.090 -12.930 1.00 0.00 H new ATOM 0 HG3 GLU A 107 82.979 -9.042 -12.698 1.00 0.00 H new ATOM 1703 N SER A 108 85.318 -10.363 -8.618 1.00 0.00 N ATOM 1704 CA SER A 108 86.474 -11.019 -8.016 1.00 0.00 C ATOM 1705 C SER A 108 86.201 -12.508 -7.830 1.00 0.00 C ATOM 1706 O SER A 108 87.073 -13.344 -8.068 1.00 0.00 O ATOM 1707 CB SER A 108 86.784 -10.384 -6.660 1.00 0.00 C ATOM 1708 OG SER A 108 87.031 -8.995 -6.835 1.00 0.00 O ATOM 0 H SER A 108 84.861 -9.677 -8.017 1.00 0.00 H new ATOM 0 HA SER A 108 87.330 -10.895 -8.680 1.00 0.00 H new ATOM 0 HB2 SER A 108 85.948 -10.533 -5.977 1.00 0.00 H new ATOM 0 HB3 SER A 108 87.653 -10.865 -6.211 1.00 0.00 H new ATOM 0 HG SER A 108 86.184 -8.530 -6.998 1.00 0.00 H new ATOM 1714 N ARG A 109 84.982 -12.827 -7.405 1.00 0.00 N ATOM 1715 CA ARG A 109 84.593 -14.218 -7.188 1.00 0.00 C ATOM 1716 C ARG A 109 84.462 -14.945 -8.523 1.00 0.00 C ATOM 1717 O ARG A 109 84.775 -16.132 -8.628 1.00 0.00 O ATOM 1718 CB ARG A 109 83.258 -14.276 -6.439 1.00 0.00 C ATOM 1719 CG ARG A 109 83.350 -13.460 -5.146 1.00 0.00 C ATOM 1720 CD ARG A 109 84.019 -14.297 -4.051 1.00 0.00 C ATOM 1721 NE ARG A 109 84.609 -13.426 -3.041 1.00 0.00 N ATOM 1722 CZ ARG A 109 85.739 -13.755 -2.425 1.00 0.00 C ATOM 1723 NH1 ARG A 109 86.889 -13.503 -2.990 1.00 0.00 N ATOM 1724 NH2 ARG A 109 85.700 -14.332 -1.254 1.00 0.00 N ATOM 0 H ARG A 109 84.250 -12.146 -7.205 1.00 0.00 H new ATOM 0 HA ARG A 109 85.364 -14.707 -6.592 1.00 0.00 H new ATOM 0 HB2 ARG A 109 82.460 -13.885 -7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 109 83.005 -15.311 -6.209 1.00 0.00 H new ATOM 0 HG2 ARG A 109 83.922 -12.549 -5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.354 -13.155 -4.826 1.00 0.00 H new ATOM 0 HD2 ARG A 109 83.285 -14.957 -3.589 1.00 0.00 H new ATOM 0 HD3 ARG A 109 84.789 -14.933 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 109 84.146 -12.549 -2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 109 86.920 -13.053 -3.905 1.00 0.00 H new ATOM 0 HH12 ARG A 109 87.756 -13.756 -2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 109 84.802 -14.530 -0.813 1.00 0.00 H new ATOM 0 HH22 ARG A 109 86.568 -14.585 -0.781 1.00 0.00 H new ATOM 1738 N ASN A 110 83.999 -14.221 -9.538 1.00 0.00 N ATOM 1739 CA ASN A 110 83.828 -14.796 -10.869 1.00 0.00 C ATOM 1740 C ASN A 110 85.173 -14.915 -11.579 1.00 0.00 C ATOM 1741 O ASN A 110 85.325 -15.705 -12.512 1.00 0.00 O ATOM 1742 CB ASN A 110 82.884 -13.918 -11.696 1.00 0.00 C ATOM 1743 CG ASN A 110 81.988 -14.789 -12.570 1.00 0.00 C ATOM 1744 OD1 ASN A 110 80.793 -14.917 -12.302 1.00 0.00 O ATOM 1745 ND2 ASN A 110 82.498 -15.403 -13.604 1.00 0.00 N ATOM 0 H ASN A 110 83.736 -13.238 -9.465 1.00 0.00 H new ATOM 0 HA ASN A 110 83.399 -15.793 -10.764 1.00 0.00 H new ATOM 0 HB2 ASN A 110 82.273 -13.304 -11.034 1.00 0.00 H new ATOM 0 HB3 ASN A 110 83.462 -13.237 -12.320 1.00 0.00 H new ATOM 0 HD21 ASN A 110 81.906 -15.990 -14.192 1.00 0.00 H new ATOM 0 HD22 ASN A 110 83.488 -15.295 -13.824 1.00 0.00 H new ATOM 1752 N SER A 111 86.148 -14.126 -11.131 1.00 0.00 N ATOM 1753 CA SER A 111 87.480 -14.149 -11.728 1.00 0.00 C ATOM 1754 C SER A 111 88.217 -15.433 -11.351 1.00 0.00 C ATOM 1755 O SER A 111 89.258 -15.751 -11.927 1.00 0.00 O ATOM 1756 CB SER A 111 88.284 -12.936 -11.253 1.00 0.00 C ATOM 1757 OG SER A 111 89.571 -12.958 -11.857 1.00 0.00 O ATOM 0 H SER A 111 86.041 -13.466 -10.360 1.00 0.00 H new ATOM 0 HA SER A 111 87.373 -14.113 -12.812 1.00 0.00 H new ATOM 0 HB2 SER A 111 87.763 -12.015 -11.515 1.00 0.00 H new ATOM 0 HB3 SER A 111 88.379 -12.951 -10.167 1.00 0.00 H new ATOM 0 HG SER A 111 89.476 -13.085 -12.824 1.00 0.00 H new ATOM 1763 N GLY A 112 87.668 -16.164 -10.382 1.00 0.00 N ATOM 1764 CA GLY A 112 88.278 -17.413 -9.932 1.00 0.00 C ATOM 1765 C GLY A 112 88.368 -18.431 -11.067 1.00 0.00 C ATOM 1766 O GLY A 112 89.122 -19.401 -10.982 1.00 0.00 O ATOM 0 H GLY A 112 86.807 -15.914 -9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 112 89.276 -17.212 -9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 112 87.693 -17.831 -9.112 1.00 0.00 H new ATOM 1770 N GLY A 113 87.595 -18.202 -12.128 1.00 0.00 N ATOM 1771 CA GLY A 113 87.594 -19.107 -13.275 1.00 0.00 C ATOM 1772 C GLY A 113 88.958 -19.123 -13.959 1.00 0.00 C ATOM 1773 O GLY A 113 89.662 -20.134 -13.937 1.00 0.00 O ATOM 0 H GLY A 113 86.966 -17.404 -12.217 1.00 0.00 H new ATOM 0 HA2 GLY A 113 87.335 -20.114 -12.948 1.00 0.00 H new ATOM 0 HA3 GLY A 113 86.829 -18.797 -13.987 1.00 0.00 H new ATOM 1777 N TYR A 114 89.322 -17.996 -14.564 1.00 0.00 N ATOM 1778 CA TYR A 114 90.605 -17.884 -15.255 1.00 0.00 C ATOM 1779 C TYR A 114 91.710 -17.475 -14.282 1.00 0.00 C ATOM 1780 O TYR A 114 92.868 -17.648 -14.626 1.00 0.00 O ATOM 1781 CB TYR A 114 90.503 -16.852 -16.383 1.00 0.00 C ATOM 1782 CG TYR A 114 89.938 -15.556 -15.844 1.00 0.00 C ATOM 1783 CD1 TYR A 114 90.796 -14.585 -15.313 1.00 0.00 C ATOM 1784 CD2 TYR A 114 88.557 -15.327 -15.877 1.00 0.00 C ATOM 1785 CE1 TYR A 114 90.273 -13.386 -14.816 1.00 0.00 C ATOM 1786 CE2 TYR A 114 88.034 -14.128 -15.380 1.00 0.00 C ATOM 1787 CZ TYR A 114 88.892 -13.157 -14.850 1.00 0.00 C ATOM 1788 OH TYR A 114 88.378 -11.974 -14.361 1.00 0.00 O ATOM 1789 OXT TYR A 114 91.383 -16.995 -13.209 1.00 0.00 O ATOM 0 H TYR A 114 88.751 -17.151 -14.591 1.00 0.00 H new ATOM 0 HA TYR A 114 90.854 -18.858 -15.676 1.00 0.00 H new ATOM 0 HB2 TYR A 114 91.487 -16.677 -16.818 1.00 0.00 H new ATOM 0 HB3 TYR A 114 89.865 -17.233 -17.180 1.00 0.00 H new ATOM 0 HD1 TYR A 114 91.861 -14.761 -15.287 1.00 0.00 H new ATOM 0 HD2 TYR A 114 87.895 -16.076 -16.286 1.00 0.00 H new ATOM 0 HE1 TYR A 114 90.935 -12.637 -14.406 1.00 0.00 H new ATOM 0 HE2 TYR A 114 86.969 -13.952 -15.405 1.00 0.00 H new ATOM 0 HH TYR A 114 87.403 -11.975 -14.460 1.00 0.00 H new TER 1799 TYR A 114