USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 817 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 47 TYR OH : rot -52:sc= 1.87 USER MOD Set 1.2: A 101 TYR OH : rot -125:sc= 1.4 USER MOD Set 2.1: A 21 ASN : amide:sc= 1.76 K(o=2.5,f=-0.77) USER MOD Set 2.2: A 23 THR OG1 : rot -97:sc= 0.694 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0956 (180deg=-0.544) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.162 (180deg=-0.119) USER MOD Single : A 3 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-4.2!) USER MOD Single : A 5 HIS : no HD1:sc= 0.737 K(o=0.74,f=-6.4!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 8 HIS : no HE2:sc= -0.0472 K(o=-0.047,f=-2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.59! X(o=-3.6!,f=-3.2) USER MOD Single : A 18 SER OG : rot 72:sc= 0.142 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -36:sc= 0.352 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0503 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 114:sc= 1.3 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -39:sc= 0.496 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -21:sc= 0.0241 USER MOD Single : A 55 MET CE :methyl 146:sc= -0.618 (180deg=-1.42) USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0576) USER MOD Single : A 62 SER OG : rot -160:sc= 0.0935 USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= 1.21 (180deg=1.16) USER MOD Single : A 68 MET CE :methyl -142:sc= -0.226 (180deg=-0.868) USER MOD Single : A 69 SER OG : rot 148:sc= 0.385 USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= 0.79 (180deg=0.401) USER MOD Single : A 71 ASN : amide:sc= -0.72 X(o=-0.72,f=-0.33) USER MOD Single : A 76 SER OG : rot 178:sc= 0.448 USER MOD Single : A 78 SER OG : rot -3:sc= 0.949 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0059 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -2.09! K(o=-2.1!,f=-0.093) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 95 THR OG1 : rot 90:sc= 0.197 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -160:sc= 0.0745 (180deg=-0.331) USER MOD Single : A 109 SER OG : rot -1:sc= 0.583 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.566 -4.423 -5.910 1.00 0.00 N ATOM 2 CA MET A 1 -17.314 -2.980 -5.987 1.00 0.00 C ATOM 3 C MET A 1 -16.843 -2.483 -4.634 1.00 0.00 C ATOM 4 O MET A 1 -16.586 -3.282 -3.737 1.00 0.00 O ATOM 5 CB MET A 1 -18.582 -2.226 -6.412 1.00 0.00 C ATOM 6 CG MET A 1 -19.106 -2.595 -7.789 1.00 0.00 C ATOM 7 SD MET A 1 -20.606 -1.687 -8.238 1.00 0.00 S ATOM 8 CE MET A 1 -20.005 0.008 -8.233 1.00 0.00 C ATOM 0 H1 MET A 1 -17.056 -4.906 -6.677 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.235 -4.785 -4.993 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.586 -4.603 -6.006 1.00 0.00 H new ATOM 0 HA MET A 1 -16.544 -2.795 -6.736 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.365 -2.415 -5.677 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.377 -1.156 -6.391 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.332 -2.398 -8.531 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.312 -3.665 -7.819 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.689 0.638 -8.802 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.947 0.370 -7.207 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.015 0.044 -8.688 1.00 0.00 H new ATOM 20 N GLY A 2 -16.746 -1.185 -4.473 1.00 0.00 N ATOM 21 CA GLY A 2 -16.245 -0.636 -3.246 1.00 0.00 C ATOM 22 C GLY A 2 -17.320 -0.147 -2.306 1.00 0.00 C ATOM 23 O GLY A 2 -17.149 0.890 -1.661 1.00 0.00 O ATOM 0 H GLY A 2 -17.008 -0.495 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -15.650 -1.394 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.575 0.192 -3.478 1.00 0.00 H new ATOM 27 N HIS A 3 -18.426 -0.873 -2.202 1.00 0.00 N ATOM 28 CA HIS A 3 -19.467 -0.484 -1.261 1.00 0.00 C ATOM 29 C HIS A 3 -19.134 -1.037 0.098 1.00 0.00 C ATOM 30 O HIS A 3 -19.505 -2.164 0.427 1.00 0.00 O ATOM 31 CB HIS A 3 -20.891 -0.939 -1.666 1.00 0.00 C ATOM 32 CG HIS A 3 -21.441 -0.353 -2.935 1.00 0.00 C ATOM 33 ND1 HIS A 3 -22.179 0.805 -2.974 1.00 0.00 N ATOM 34 CD2 HIS A 3 -21.393 -0.799 -4.208 1.00 0.00 C ATOM 35 CE1 HIS A 3 -22.556 1.043 -4.210 1.00 0.00 C ATOM 36 NE2 HIS A 3 -22.095 0.087 -4.982 1.00 0.00 N ATOM 0 H HIS A 3 -18.623 -1.715 -2.744 1.00 0.00 H new ATOM 0 HA HIS A 3 -19.487 0.606 -1.256 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -20.889 -2.025 -1.763 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -21.573 -0.694 -0.852 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -20.892 -1.692 -4.553 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -23.147 1.886 -4.537 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -22.236 0.016 -5.990 1.00 0.00 H new ATOM 45 N HIS A 4 -18.387 -0.282 0.860 1.00 0.00 N ATOM 46 CA HIS A 4 -18.001 -0.701 2.187 1.00 0.00 C ATOM 47 C HIS A 4 -17.740 0.467 3.126 1.00 0.00 C ATOM 48 O HIS A 4 -16.615 0.704 3.549 1.00 0.00 O ATOM 49 CB HIS A 4 -16.872 -1.791 2.212 1.00 0.00 C ATOM 50 CG HIS A 4 -15.573 -1.450 1.502 1.00 0.00 C ATOM 51 ND1 HIS A 4 -14.514 -2.326 1.428 1.00 0.00 N ATOM 52 CD2 HIS A 4 -15.170 -0.332 0.848 1.00 0.00 C ATOM 53 CE1 HIS A 4 -13.523 -1.764 0.768 1.00 0.00 C ATOM 54 NE2 HIS A 4 -13.894 -0.551 0.404 1.00 0.00 N ATOM 0 H HIS A 4 -18.030 0.633 0.584 1.00 0.00 H new ATOM 0 HA HIS A 4 -18.877 -1.211 2.588 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.641 -2.016 3.253 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.271 -2.704 1.769 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -15.750 0.567 0.704 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -12.566 -2.220 0.559 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.325 0.113 -0.121 1.00 0.00 H new ATOM 63 N HIS A 5 -18.792 1.227 3.367 1.00 0.00 N ATOM 64 CA HIS A 5 -18.816 2.353 4.302 1.00 0.00 C ATOM 65 C HIS A 5 -20.185 2.547 4.869 1.00 0.00 C ATOM 66 O HIS A 5 -20.983 3.338 4.364 1.00 0.00 O ATOM 67 CB HIS A 5 -18.306 3.698 3.738 1.00 0.00 C ATOM 68 CG HIS A 5 -16.825 3.864 3.711 1.00 0.00 C ATOM 69 ND1 HIS A 5 -16.122 4.467 4.738 1.00 0.00 N ATOM 70 CD2 HIS A 5 -15.910 3.530 2.790 1.00 0.00 C ATOM 71 CE1 HIS A 5 -14.848 4.487 4.437 1.00 0.00 C ATOM 72 NE2 HIS A 5 -14.697 3.928 3.270 1.00 0.00 N ATOM 0 H HIS A 5 -19.689 1.078 2.904 1.00 0.00 H new ATOM 0 HA HIS A 5 -18.107 2.066 5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -18.685 3.813 2.723 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -18.734 4.506 4.331 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -16.098 3.039 1.847 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.059 4.896 5.050 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -13.806 3.806 2.788 1.00 0.00 H new ATOM 81 N HIS A 6 -20.486 1.780 5.849 1.00 0.00 N ATOM 82 CA HIS A 6 -21.723 1.924 6.562 1.00 0.00 C ATOM 83 C HIS A 6 -21.380 2.003 8.040 1.00 0.00 C ATOM 84 O HIS A 6 -22.047 2.683 8.822 1.00 0.00 O ATOM 85 CB HIS A 6 -22.641 0.724 6.271 1.00 0.00 C ATOM 86 CG HIS A 6 -24.065 0.902 6.725 1.00 0.00 C ATOM 87 ND1 HIS A 6 -25.097 1.127 5.850 1.00 0.00 N ATOM 88 CD2 HIS A 6 -24.629 0.861 7.957 1.00 0.00 C ATOM 89 CE1 HIS A 6 -26.225 1.220 6.511 1.00 0.00 C ATOM 90 NE2 HIS A 6 -25.973 1.062 7.794 1.00 0.00 N ATOM 0 H HIS A 6 -19.887 1.028 6.190 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.256 2.823 6.251 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -22.637 0.531 5.198 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.226 -0.160 6.755 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.114 0.700 8.893 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -27.198 1.397 6.076 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -26.665 1.086 8.543 1.00 0.00 H new ATOM 99 N HIS A 7 -20.312 1.308 8.394 1.00 0.00 N ATOM 100 CA HIS A 7 -19.783 1.235 9.741 1.00 0.00 C ATOM 101 C HIS A 7 -18.484 0.462 9.645 1.00 0.00 C ATOM 102 O HIS A 7 -18.372 -0.391 8.761 1.00 0.00 O ATOM 103 CB HIS A 7 -20.783 0.480 10.649 1.00 0.00 C ATOM 104 CG HIS A 7 -20.376 0.354 12.088 1.00 0.00 C ATOM 105 ND1 HIS A 7 -19.908 -0.813 12.634 1.00 0.00 N ATOM 106 CD2 HIS A 7 -20.408 1.247 13.095 1.00 0.00 C ATOM 107 CE1 HIS A 7 -19.667 -0.633 13.910 1.00 0.00 C ATOM 108 NE2 HIS A 7 -19.964 0.608 14.213 1.00 0.00 N ATOM 0 H HIS A 7 -19.771 0.760 7.725 1.00 0.00 H new ATOM 0 HA HIS A 7 -19.622 2.226 10.166 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -21.745 0.990 10.604 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -20.933 -0.520 10.242 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -20.726 2.277 13.029 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -19.289 -1.378 14.594 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -19.876 1.028 15.138 1.00 0.00 H new ATOM 117 N HIS A 8 -17.504 0.774 10.515 1.00 0.00 N ATOM 118 CA HIS A 8 -16.199 0.064 10.561 1.00 0.00 C ATOM 119 C HIS A 8 -15.290 0.491 9.382 1.00 0.00 C ATOM 120 O HIS A 8 -15.775 0.937 8.342 1.00 0.00 O ATOM 121 CB HIS A 8 -16.438 -1.475 10.588 1.00 0.00 C ATOM 122 CG HIS A 8 -15.229 -2.353 10.706 1.00 0.00 C ATOM 123 ND1 HIS A 8 -14.524 -2.811 9.622 1.00 0.00 N ATOM 124 CD2 HIS A 8 -14.652 -2.918 11.788 1.00 0.00 C ATOM 125 CE1 HIS A 8 -13.581 -3.616 10.030 1.00 0.00 C ATOM 126 NE2 HIS A 8 -13.634 -3.701 11.339 1.00 0.00 N ATOM 0 H HIS A 8 -17.588 1.521 11.205 1.00 0.00 H new ATOM 0 HA HIS A 8 -15.674 0.341 11.475 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -17.102 -1.699 11.423 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -16.968 -1.751 9.677 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -14.708 -2.562 8.650 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.944 -2.775 12.818 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -12.873 -4.128 9.395 1.00 0.00 H new ATOM 135 N LEU A 9 -13.975 0.402 9.577 1.00 0.00 N ATOM 136 CA LEU A 9 -13.002 0.727 8.524 1.00 0.00 C ATOM 137 C LEU A 9 -13.196 -0.185 7.323 1.00 0.00 C ATOM 138 O LEU A 9 -13.681 -1.324 7.465 1.00 0.00 O ATOM 139 CB LEU A 9 -11.565 0.590 9.043 1.00 0.00 C ATOM 140 CG LEU A 9 -11.141 1.539 10.172 1.00 0.00 C ATOM 141 CD1 LEU A 9 -9.723 1.223 10.612 1.00 0.00 C ATOM 142 CD2 LEU A 9 -11.234 2.993 9.719 1.00 0.00 C ATOM 0 H LEU A 9 -13.553 0.106 10.457 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.169 1.761 8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.426 -0.434 9.390 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.886 0.737 8.203 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.818 1.396 11.014 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.431 1.902 11.413 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.674 0.195 10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.044 1.345 9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.929 3.648 10.535 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.578 3.150 8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.262 3.221 9.435 1.00 0.00 H new ATOM 154 N GLU A 10 -12.818 0.283 6.160 1.00 0.00 N ATOM 155 CA GLU A 10 -13.015 -0.491 4.974 1.00 0.00 C ATOM 156 C GLU A 10 -11.904 -1.518 4.816 1.00 0.00 C ATOM 157 O GLU A 10 -10.724 -1.181 4.709 1.00 0.00 O ATOM 158 CB GLU A 10 -13.192 0.401 3.725 1.00 0.00 C ATOM 159 CG GLU A 10 -12.015 1.293 3.347 1.00 0.00 C ATOM 160 CD GLU A 10 -12.312 2.119 2.113 1.00 0.00 C ATOM 161 OE1 GLU A 10 -12.483 1.538 1.033 1.00 0.00 O ATOM 162 OE2 GLU A 10 -12.413 3.364 2.214 1.00 0.00 O ATOM 0 H GLU A 10 -12.376 1.191 6.016 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.950 -1.041 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.416 -0.244 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.064 1.036 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.778 1.955 4.180 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.134 0.677 3.169 1.00 0.00 H new ATOM 169 N GLU A 11 -12.276 -2.766 4.854 1.00 0.00 N ATOM 170 CA GLU A 11 -11.360 -3.808 4.716 1.00 0.00 C ATOM 171 C GLU A 11 -11.271 -4.226 3.278 1.00 0.00 C ATOM 172 O GLU A 11 -12.271 -4.237 2.543 1.00 0.00 O ATOM 173 CB GLU A 11 -11.754 -4.962 5.617 1.00 0.00 C ATOM 174 CG GLU A 11 -10.938 -6.184 5.462 1.00 0.00 C ATOM 175 CD GLU A 11 -11.348 -7.223 6.477 1.00 0.00 C ATOM 176 OE1 GLU A 11 -12.285 -7.995 6.200 1.00 0.00 O ATOM 177 OE2 GLU A 11 -10.763 -7.266 7.567 1.00 0.00 O ATOM 0 H GLU A 11 -13.241 -3.068 4.984 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.370 -3.470 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.692 -4.631 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.797 -5.213 5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.058 -6.583 4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.882 -5.942 5.586 1.00 0.00 H new ATOM 184 N PHE A 12 -10.093 -4.515 2.880 1.00 0.00 N ATOM 185 CA PHE A 12 -9.799 -4.930 1.567 1.00 0.00 C ATOM 186 C PHE A 12 -9.197 -6.278 1.568 1.00 0.00 C ATOM 187 O PHE A 12 -8.747 -6.739 2.570 1.00 0.00 O ATOM 188 CB PHE A 12 -8.787 -4.005 0.965 1.00 0.00 C ATOM 189 CG PHE A 12 -9.247 -2.621 0.665 1.00 0.00 C ATOM 190 CD1 PHE A 12 -9.844 -2.328 -0.545 1.00 0.00 C ATOM 191 CD2 PHE A 12 -9.072 -1.604 1.584 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.258 -1.050 -0.831 1.00 0.00 C ATOM 193 CE2 PHE A 12 -9.481 -0.325 1.301 1.00 0.00 C ATOM 194 CZ PHE A 12 -10.075 -0.048 0.092 1.00 0.00 C ATOM 0 H PHE A 12 -9.274 -4.467 3.486 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.731 -4.929 1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.936 -3.942 1.643 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.424 -4.452 0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.987 -3.112 -1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.608 -1.818 2.536 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.727 -0.833 -1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.337 0.462 2.026 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.398 0.958 -0.132 1.00 0.00 H new ATOM 204 N THR A 13 -9.206 -6.906 0.451 1.00 0.00 N ATOM 205 CA THR A 13 -8.449 -8.093 0.261 1.00 0.00 C ATOM 206 C THR A 13 -7.526 -7.785 -0.912 1.00 0.00 C ATOM 207 O THR A 13 -7.901 -6.986 -1.762 1.00 0.00 O ATOM 208 CB THR A 13 -9.351 -9.301 -0.017 1.00 0.00 C ATOM 209 OG1 THR A 13 -10.323 -9.423 1.032 1.00 0.00 O ATOM 210 CG2 THR A 13 -8.537 -10.567 -0.071 1.00 0.00 C ATOM 0 H THR A 13 -9.742 -6.611 -0.365 1.00 0.00 H new ATOM 0 HA THR A 13 -7.886 -8.366 1.154 1.00 0.00 H new ATOM 0 HB THR A 13 -9.846 -9.150 -0.977 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.901 -10.194 0.854 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.194 -11.414 -0.269 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.795 -10.489 -0.866 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.032 -10.716 0.883 1.00 0.00 H new ATOM 218 N ALA A 14 -6.341 -8.377 -0.949 1.00 0.00 N ATOM 219 CA ALA A 14 -5.309 -8.000 -1.942 1.00 0.00 C ATOM 220 C ALA A 14 -5.795 -8.019 -3.395 1.00 0.00 C ATOM 221 O ALA A 14 -5.559 -7.061 -4.134 1.00 0.00 O ATOM 222 CB ALA A 14 -4.057 -8.830 -1.770 1.00 0.00 C ATOM 0 H ALA A 14 -6.057 -9.120 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.071 -6.957 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.317 -8.531 -2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.651 -8.674 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.299 -9.885 -1.903 1.00 0.00 H new ATOM 228 N GLU A 15 -6.492 -9.077 -3.787 1.00 0.00 N ATOM 229 CA GLU A 15 -7.032 -9.188 -5.147 1.00 0.00 C ATOM 230 C GLU A 15 -8.001 -8.043 -5.431 1.00 0.00 C ATOM 231 O GLU A 15 -7.995 -7.451 -6.513 1.00 0.00 O ATOM 232 CB GLU A 15 -7.772 -10.520 -5.376 1.00 0.00 C ATOM 233 CG GLU A 15 -6.987 -11.789 -5.065 1.00 0.00 C ATOM 234 CD GLU A 15 -6.905 -12.107 -3.587 1.00 0.00 C ATOM 235 OE1 GLU A 15 -6.006 -11.584 -2.893 1.00 0.00 O ATOM 236 OE2 GLU A 15 -7.749 -12.890 -3.102 1.00 0.00 O ATOM 0 H GLU A 15 -6.700 -9.875 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.179 -9.144 -5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.676 -10.519 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.090 -10.561 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.451 -12.629 -5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.977 -11.688 -5.462 1.00 0.00 H new ATOM 243 N GLN A 16 -8.804 -7.735 -4.434 1.00 0.00 N ATOM 244 CA GLN A 16 -9.811 -6.692 -4.509 1.00 0.00 C ATOM 245 C GLN A 16 -9.193 -5.309 -4.524 1.00 0.00 C ATOM 246 O GLN A 16 -9.731 -4.388 -5.142 1.00 0.00 O ATOM 247 CB GLN A 16 -10.841 -6.816 -3.361 1.00 0.00 C ATOM 248 CG GLN A 16 -11.865 -7.943 -3.518 1.00 0.00 C ATOM 249 CD GLN A 16 -11.283 -9.341 -3.566 1.00 0.00 C ATOM 250 OE1 GLN A 16 -10.943 -9.844 -4.628 1.00 0.00 O ATOM 251 NE2 GLN A 16 -11.193 -9.984 -2.437 1.00 0.00 N ATOM 0 H GLN A 16 -8.776 -8.210 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.337 -6.830 -5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.301 -6.966 -2.426 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.377 -5.871 -3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.571 -7.889 -2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.433 -7.772 -4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.486 -9.535 -1.569 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.830 -10.937 -2.420 1.00 0.00 H new ATOM 260 N LEU A 17 -8.068 -5.164 -3.854 1.00 0.00 N ATOM 261 CA LEU A 17 -7.385 -3.885 -3.764 1.00 0.00 C ATOM 262 C LEU A 17 -6.863 -3.447 -5.130 1.00 0.00 C ATOM 263 O LEU A 17 -6.789 -2.258 -5.428 1.00 0.00 O ATOM 264 CB LEU A 17 -6.197 -3.969 -2.822 1.00 0.00 C ATOM 265 CG LEU A 17 -5.487 -2.643 -2.589 1.00 0.00 C ATOM 266 CD1 LEU A 17 -6.261 -1.760 -1.662 1.00 0.00 C ATOM 267 CD2 LEU A 17 -4.088 -2.830 -2.127 1.00 0.00 C ATOM 0 H LEU A 17 -7.602 -5.924 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.112 -3.164 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.536 -4.360 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.480 -4.686 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.435 -2.138 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.724 -0.822 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.242 -1.554 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.382 -2.259 -0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.622 -1.857 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.086 -3.385 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.528 -3.386 -2.879 1.00 0.00 H new ATOM 279 N SER A 18 -6.532 -4.415 -5.960 1.00 0.00 N ATOM 280 CA SER A 18 -5.929 -4.168 -7.257 1.00 0.00 C ATOM 281 C SER A 18 -6.858 -3.439 -8.244 1.00 0.00 C ATOM 282 O SER A 18 -6.427 -3.018 -9.311 1.00 0.00 O ATOM 283 CB SER A 18 -5.396 -5.469 -7.820 1.00 0.00 C ATOM 284 OG SER A 18 -4.456 -6.030 -6.905 1.00 0.00 O ATOM 0 H SER A 18 -6.674 -5.404 -5.753 1.00 0.00 H new ATOM 0 HA SER A 18 -5.099 -3.477 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.215 -6.167 -7.991 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.921 -5.293 -8.785 1.00 0.00 H new ATOM 0 HG SER A 18 -4.930 -6.381 -6.123 1.00 0.00 H new ATOM 290 N GLN A 19 -8.113 -3.251 -7.865 1.00 0.00 N ATOM 291 CA GLN A 19 -9.053 -2.506 -8.716 1.00 0.00 C ATOM 292 C GLN A 19 -8.817 -1.019 -8.538 1.00 0.00 C ATOM 293 O GLN A 19 -9.183 -0.202 -9.381 1.00 0.00 O ATOM 294 CB GLN A 19 -10.508 -2.802 -8.352 1.00 0.00 C ATOM 295 CG GLN A 19 -10.959 -4.232 -8.549 1.00 0.00 C ATOM 296 CD GLN A 19 -12.429 -4.399 -8.210 1.00 0.00 C ATOM 297 OE1 GLN A 19 -13.229 -3.470 -8.362 1.00 0.00 O ATOM 298 NE2 GLN A 19 -12.799 -5.560 -7.753 1.00 0.00 N ATOM 0 H GLN A 19 -8.508 -3.594 -6.990 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.880 -2.816 -9.747 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.663 -2.533 -7.307 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.151 -2.153 -8.947 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.786 -4.531 -9.583 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.362 -4.894 -7.922 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.112 -6.306 -7.640 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.776 -5.724 -7.508 1.00 0.00 H new ATOM 307 N TYR A 20 -8.166 -0.696 -7.450 1.00 0.00 N ATOM 308 CA TYR A 20 -7.934 0.662 -7.017 1.00 0.00 C ATOM 309 C TYR A 20 -6.562 1.134 -7.459 1.00 0.00 C ATOM 310 O TYR A 20 -5.892 1.897 -6.762 1.00 0.00 O ATOM 311 CB TYR A 20 -8.056 0.682 -5.499 1.00 0.00 C ATOM 312 CG TYR A 20 -9.429 0.249 -5.028 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.505 1.119 -5.062 1.00 0.00 C ATOM 314 CD2 TYR A 20 -9.647 -1.036 -4.571 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.755 0.721 -4.648 1.00 0.00 C ATOM 316 CE2 TYR A 20 -10.890 -1.445 -4.159 1.00 0.00 C ATOM 317 CZ TYR A 20 -11.942 -0.565 -4.198 1.00 0.00 C ATOM 318 OH TYR A 20 -13.184 -0.969 -3.785 1.00 0.00 O ATOM 0 H TYR A 20 -7.769 -1.392 -6.819 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.663 1.339 -7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.302 0.024 -5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.849 1.688 -5.133 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.361 2.128 -5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.822 -1.733 -4.537 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.583 1.413 -4.676 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.040 -2.455 -3.806 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.145 -1.905 -3.499 1.00 0.00 H new ATOM 328 N ASN A 21 -6.171 0.711 -8.647 1.00 0.00 N ATOM 329 CA ASN A 21 -4.883 1.091 -9.206 1.00 0.00 C ATOM 330 C ASN A 21 -4.979 2.463 -9.884 1.00 0.00 C ATOM 331 O ASN A 21 -3.969 3.081 -10.228 1.00 0.00 O ATOM 332 CB ASN A 21 -4.335 0.014 -10.170 1.00 0.00 C ATOM 333 CG ASN A 21 -5.199 -0.225 -11.387 1.00 0.00 C ATOM 334 OD1 ASN A 21 -5.038 0.420 -12.396 1.00 0.00 O ATOM 335 ND2 ASN A 21 -6.085 -1.186 -11.317 1.00 0.00 N ATOM 0 H ASN A 21 -6.728 0.102 -9.247 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.169 1.167 -8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.338 0.309 -10.498 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.227 -0.924 -9.625 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.662 -1.408 -12.128 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.198 -1.713 -10.451 1.00 0.00 H new ATOM 342 N GLY A 22 -6.209 2.923 -10.062 1.00 0.00 N ATOM 343 CA GLY A 22 -6.471 4.256 -10.570 1.00 0.00 C ATOM 344 C GLY A 22 -6.140 4.475 -11.992 1.00 0.00 C ATOM 345 O GLY A 22 -5.336 5.330 -12.334 1.00 0.00 O ATOM 0 H GLY A 22 -7.049 2.382 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.528 4.480 -10.423 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.907 4.971 -9.970 1.00 0.00 H new ATOM 349 N THR A 23 -6.744 3.708 -12.814 1.00 0.00 N ATOM 350 CA THR A 23 -6.666 3.908 -14.214 1.00 0.00 C ATOM 351 C THR A 23 -8.056 4.148 -14.775 1.00 0.00 C ATOM 352 O THR A 23 -8.224 4.698 -15.876 1.00 0.00 O ATOM 353 CB THR A 23 -6.029 2.722 -14.910 1.00 0.00 C ATOM 354 OG1 THR A 23 -6.692 1.499 -14.537 1.00 0.00 O ATOM 355 CG2 THR A 23 -4.544 2.638 -14.641 1.00 0.00 C ATOM 0 H THR A 23 -7.316 2.911 -12.534 1.00 0.00 H new ATOM 0 HA THR A 23 -6.039 4.781 -14.396 1.00 0.00 H new ATOM 0 HB THR A 23 -6.151 2.868 -15.983 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.194 1.065 -13.813 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.129 1.774 -15.159 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.057 3.545 -15.000 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.374 2.535 -13.569 1.00 0.00 H new ATOM 363 N ASP A 24 -9.053 3.743 -14.005 1.00 0.00 N ATOM 364 CA ASP A 24 -10.440 3.885 -14.390 1.00 0.00 C ATOM 365 C ASP A 24 -11.043 5.112 -13.757 1.00 0.00 C ATOM 366 O ASP A 24 -11.350 5.099 -12.564 1.00 0.00 O ATOM 367 CB ASP A 24 -11.268 2.666 -13.959 1.00 0.00 C ATOM 368 CG ASP A 24 -10.875 1.375 -14.616 1.00 0.00 C ATOM 369 OD1 ASP A 24 -11.383 1.080 -15.722 1.00 0.00 O ATOM 370 OD2 ASP A 24 -10.079 0.610 -14.020 1.00 0.00 O ATOM 0 H ASP A 24 -8.918 3.306 -13.093 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.462 3.972 -15.476 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.181 2.549 -12.879 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.318 2.863 -14.175 1.00 0.00 H new ATOM 375 N GLU A 25 -11.136 6.197 -14.535 1.00 0.00 N ATOM 376 CA GLU A 25 -11.813 7.455 -14.129 1.00 0.00 C ATOM 377 C GLU A 25 -11.249 8.089 -12.876 1.00 0.00 C ATOM 378 O GLU A 25 -11.863 8.995 -12.299 1.00 0.00 O ATOM 379 CB GLU A 25 -13.300 7.226 -13.991 1.00 0.00 C ATOM 380 CG GLU A 25 -13.963 6.912 -15.300 1.00 0.00 C ATOM 381 CD GLU A 25 -13.935 8.081 -16.261 1.00 0.00 C ATOM 382 OE1 GLU A 25 -12.894 8.324 -16.908 1.00 0.00 O ATOM 383 OE2 GLU A 25 -14.947 8.780 -16.375 1.00 0.00 O ATOM 0 H GLU A 25 -10.743 6.236 -15.475 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.621 8.172 -14.928 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.474 6.406 -13.295 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.761 8.114 -13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.466 6.057 -15.759 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.997 6.620 -15.119 1.00 0.00 H new ATOM 390 N SER A 26 -10.083 7.640 -12.496 1.00 0.00 N ATOM 391 CA SER A 26 -9.377 8.127 -11.330 1.00 0.00 C ATOM 392 C SER A 26 -10.173 7.811 -10.038 1.00 0.00 C ATOM 393 O SER A 26 -10.109 8.566 -9.049 1.00 0.00 O ATOM 394 CB SER A 26 -9.082 9.645 -11.489 1.00 0.00 C ATOM 395 OG SER A 26 -8.399 10.181 -10.365 1.00 0.00 O ATOM 0 H SER A 26 -9.581 6.907 -12.998 1.00 0.00 H new ATOM 0 HA SER A 26 -8.420 7.613 -11.242 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.483 9.805 -12.386 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.020 10.182 -11.632 1.00 0.00 H new ATOM 0 HG SER A 26 -8.726 9.750 -9.548 1.00 0.00 H new ATOM 401 N LYS A 27 -10.893 6.674 -10.051 1.00 0.00 N ATOM 402 CA LYS A 27 -11.608 6.197 -8.864 1.00 0.00 C ATOM 403 C LYS A 27 -10.600 5.960 -7.739 1.00 0.00 C ATOM 404 O LYS A 27 -9.440 5.670 -8.032 1.00 0.00 O ATOM 405 CB LYS A 27 -12.355 4.877 -9.157 1.00 0.00 C ATOM 406 CG LYS A 27 -13.426 4.965 -10.239 1.00 0.00 C ATOM 407 CD LYS A 27 -14.147 3.623 -10.432 1.00 0.00 C ATOM 408 CE LYS A 27 -13.185 2.523 -10.871 1.00 0.00 C ATOM 409 NZ LYS A 27 -13.855 1.212 -11.053 1.00 0.00 N ATOM 0 H LYS A 27 -10.992 6.074 -10.870 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.339 6.951 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.625 4.122 -9.451 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.820 4.529 -8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.152 5.733 -9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.969 5.272 -11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.631 3.332 -9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.934 3.737 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.709 2.815 -11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.393 2.421 -10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.155 0.503 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.287 0.916 -10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.593 1.297 -11.781 1.00 0.00 H new ATOM 423 N PRO A 28 -11.049 6.099 -6.447 1.00 0.00 N ATOM 424 CA PRO A 28 -10.229 5.933 -5.236 1.00 0.00 C ATOM 425 C PRO A 28 -9.032 5.004 -5.386 1.00 0.00 C ATOM 426 O PRO A 28 -9.165 3.811 -5.668 1.00 0.00 O ATOM 427 CB PRO A 28 -11.222 5.362 -4.261 1.00 0.00 C ATOM 428 CG PRO A 28 -12.502 6.042 -4.602 1.00 0.00 C ATOM 429 CD PRO A 28 -12.425 6.441 -6.066 1.00 0.00 C ATOM 0 HA PRO A 28 -9.766 6.875 -4.943 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.306 4.280 -4.365 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.928 5.561 -3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.348 5.377 -4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.651 6.919 -3.972 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.154 5.898 -6.668 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.626 7.503 -6.203 1.00 0.00 H new ATOM 437 N ILE A 29 -7.886 5.567 -5.189 1.00 0.00 N ATOM 438 CA ILE A 29 -6.640 4.884 -5.358 1.00 0.00 C ATOM 439 C ILE A 29 -6.051 4.631 -3.991 1.00 0.00 C ATOM 440 O ILE A 29 -5.993 5.544 -3.152 1.00 0.00 O ATOM 441 CB ILE A 29 -5.662 5.757 -6.174 1.00 0.00 C ATOM 442 CG1 ILE A 29 -6.357 6.257 -7.439 1.00 0.00 C ATOM 443 CG2 ILE A 29 -4.415 4.949 -6.549 1.00 0.00 C ATOM 444 CD1 ILE A 29 -5.519 7.178 -8.274 1.00 0.00 C ATOM 0 H ILE A 29 -7.784 6.539 -4.899 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.804 3.946 -5.889 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.356 6.609 -5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.648 5.399 -8.044 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.274 6.773 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.734 5.577 -7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.916 4.608 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.707 4.087 -7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.084 7.488 -9.153 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.249 8.056 -7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.613 6.660 -8.589 1.00 0.00 H new ATOM 456 N TYR A 30 -5.614 3.427 -3.753 1.00 0.00 N ATOM 457 CA TYR A 30 -5.108 3.067 -2.460 1.00 0.00 C ATOM 458 C TYR A 30 -3.821 2.318 -2.593 1.00 0.00 C ATOM 459 O TYR A 30 -3.561 1.681 -3.613 1.00 0.00 O ATOM 460 CB TYR A 30 -6.108 2.189 -1.704 1.00 0.00 C ATOM 461 CG TYR A 30 -7.506 2.754 -1.554 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.794 3.759 -0.647 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.539 2.259 -2.319 1.00 0.00 C ATOM 464 CE1 TYR A 30 -9.083 4.249 -0.515 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.817 2.741 -2.195 1.00 0.00 C ATOM 466 CZ TYR A 30 -10.087 3.731 -1.297 1.00 0.00 C ATOM 467 OH TYR A 30 -11.372 4.205 -1.183 1.00 0.00 O ATOM 0 H TYR A 30 -5.598 2.675 -4.442 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.945 3.990 -1.904 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.178 1.229 -2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.709 1.991 -0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -7.004 4.166 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.338 1.474 -3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.297 5.032 0.197 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.609 2.337 -2.808 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.954 3.728 -1.811 1.00 0.00 H new ATOM 477 N VAL A 31 -3.026 2.413 -1.579 1.00 0.00 N ATOM 478 CA VAL A 31 -1.788 1.691 -1.478 1.00 0.00 C ATOM 479 C VAL A 31 -1.810 0.973 -0.157 1.00 0.00 C ATOM 480 O VAL A 31 -2.587 1.351 0.740 1.00 0.00 O ATOM 481 CB VAL A 31 -0.543 2.628 -1.513 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.457 3.413 -2.800 1.00 0.00 C ATOM 483 CG2 VAL A 31 -0.512 3.559 -0.323 1.00 0.00 C ATOM 0 H VAL A 31 -3.219 3.009 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.704 1.014 -2.328 1.00 0.00 H new ATOM 0 HB VAL A 31 0.332 1.980 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.426 4.052 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.386 2.725 -3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.349 4.030 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.370 4.196 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.408 4.179 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.475 2.974 0.596 1.00 0.00 H new ATOM 493 N ALA A 32 -1.010 -0.032 -0.009 1.00 0.00 N ATOM 494 CA ALA A 32 -0.962 -0.725 1.235 1.00 0.00 C ATOM 495 C ALA A 32 0.468 -0.912 1.692 1.00 0.00 C ATOM 496 O ALA A 32 1.347 -1.311 0.912 1.00 0.00 O ATOM 497 CB ALA A 32 -1.714 -2.039 1.161 1.00 0.00 C ATOM 0 H ALA A 32 -0.384 -0.390 -0.730 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.465 -0.115 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.659 -2.544 2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.757 -1.847 0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.267 -2.671 0.394 1.00 0.00 H new ATOM 503 N ILE A 33 0.696 -0.562 2.925 1.00 0.00 N ATOM 504 CA ILE A 33 1.981 -0.682 3.573 1.00 0.00 C ATOM 505 C ILE A 33 1.718 -1.277 4.926 1.00 0.00 C ATOM 506 O ILE A 33 0.924 -0.712 5.680 1.00 0.00 O ATOM 507 CB ILE A 33 2.629 0.712 3.779 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.871 1.429 2.455 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.907 0.614 4.583 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.519 2.786 2.624 1.00 0.00 C ATOM 0 H ILE A 33 -0.026 -0.172 3.531 1.00 0.00 H new ATOM 0 HA ILE A 33 2.652 -1.289 2.966 1.00 0.00 H new ATOM 0 HB ILE A 33 1.918 1.311 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.504 0.807 1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.921 1.549 1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.335 1.609 4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.689 0.186 5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.619 -0.024 4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.664 3.244 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.876 3.423 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.484 2.669 3.117 1.00 0.00 H new ATOM 522 N LYS A 34 2.334 -2.431 5.236 1.00 0.00 N ATOM 523 CA LYS A 34 2.075 -3.129 6.511 1.00 0.00 C ATOM 524 C LYS A 34 0.616 -3.561 6.596 1.00 0.00 C ATOM 525 O LYS A 34 0.107 -3.881 7.666 1.00 0.00 O ATOM 526 CB LYS A 34 2.455 -2.240 7.706 1.00 0.00 C ATOM 527 CG LYS A 34 3.941 -2.134 7.985 1.00 0.00 C ATOM 528 CD LYS A 34 4.472 -3.438 8.550 1.00 0.00 C ATOM 529 CE LYS A 34 5.915 -3.311 8.980 1.00 0.00 C ATOM 530 NZ LYS A 34 6.376 -4.523 9.689 1.00 0.00 N ATOM 0 H LYS A 34 3.008 -2.898 4.629 1.00 0.00 H new ATOM 0 HA LYS A 34 2.698 -4.023 6.546 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.062 -1.238 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.961 -2.626 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.472 -1.886 7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.127 -1.323 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.863 -3.741 9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.383 -4.223 7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.543 -3.138 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.027 -2.443 9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.370 -4.404 9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.792 -4.673 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.291 -5.347 9.060 1.00 0.00 H new ATOM 544 N GLY A 35 -0.033 -3.602 5.451 1.00 0.00 N ATOM 545 CA GLY A 35 -1.416 -3.952 5.384 1.00 0.00 C ATOM 546 C GLY A 35 -2.316 -2.769 5.614 1.00 0.00 C ATOM 547 O GLY A 35 -3.521 -2.869 5.445 1.00 0.00 O ATOM 0 H GLY A 35 0.392 -3.392 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.632 -4.386 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.631 -4.719 6.128 1.00 0.00 H new ATOM 551 N ARG A 36 -1.735 -1.646 5.986 1.00 0.00 N ATOM 552 CA ARG A 36 -2.486 -0.455 6.249 1.00 0.00 C ATOM 553 C ARG A 36 -2.786 0.188 4.920 1.00 0.00 C ATOM 554 O ARG A 36 -1.867 0.515 4.162 1.00 0.00 O ATOM 555 CB ARG A 36 -1.664 0.503 7.124 1.00 0.00 C ATOM 556 CG ARG A 36 -1.088 -0.153 8.370 1.00 0.00 C ATOM 557 CD ARG A 36 -0.277 0.823 9.215 1.00 0.00 C ATOM 558 NE ARG A 36 -1.113 1.863 9.825 1.00 0.00 N ATOM 559 CZ ARG A 36 -0.695 2.732 10.763 1.00 0.00 C ATOM 560 NH1 ARG A 36 0.592 2.784 11.112 1.00 0.00 N ATOM 561 NH2 ARG A 36 -1.565 3.554 11.335 1.00 0.00 N ATOM 0 H ARG A 36 -0.728 -1.543 6.112 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.408 -0.690 6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.848 0.915 6.530 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.295 1.340 7.423 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.900 -0.563 8.971 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.454 -0.990 8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.245 0.274 9.999 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.485 1.292 8.593 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.082 1.932 9.515 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.267 2.162 10.667 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.901 3.446 11.824 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.548 3.526 11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.251 4.214 12.047 1.00 0.00 H new ATOM 575 N VAL A 37 -4.040 0.333 4.618 1.00 0.00 N ATOM 576 CA VAL A 37 -4.438 0.902 3.363 1.00 0.00 C ATOM 577 C VAL A 37 -4.657 2.385 3.506 1.00 0.00 C ATOM 578 O VAL A 37 -5.471 2.840 4.327 1.00 0.00 O ATOM 579 CB VAL A 37 -5.697 0.213 2.776 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.143 0.907 1.512 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.388 -1.231 2.459 1.00 0.00 C ATOM 0 H VAL A 37 -4.812 0.063 5.228 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.626 0.730 2.657 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.495 0.270 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.028 0.408 1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.381 1.947 1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.343 0.867 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.276 -1.711 2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.578 -1.278 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.087 -1.747 3.371 1.00 0.00 H new ATOM 591 N PHE A 38 -3.929 3.128 2.731 1.00 0.00 N ATOM 592 CA PHE A 38 -4.013 4.555 2.746 1.00 0.00 C ATOM 593 C PHE A 38 -4.570 5.017 1.425 1.00 0.00 C ATOM 594 O PHE A 38 -4.326 4.383 0.387 1.00 0.00 O ATOM 595 CB PHE A 38 -2.632 5.171 2.904 1.00 0.00 C ATOM 596 CG PHE A 38 -1.830 4.694 4.079 1.00 0.00 C ATOM 597 CD1 PHE A 38 -1.984 5.263 5.325 1.00 0.00 C ATOM 598 CD2 PHE A 38 -0.906 3.679 3.925 1.00 0.00 C ATOM 599 CE1 PHE A 38 -1.232 4.826 6.391 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.155 3.243 4.988 1.00 0.00 C ATOM 601 CZ PHE A 38 -0.317 3.814 6.221 1.00 0.00 C ATOM 0 H PHE A 38 -3.253 2.757 2.064 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.648 4.859 3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.062 4.974 1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.745 6.252 2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.701 6.058 5.466 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.773 3.222 2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.361 5.279 7.363 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.564 2.449 4.851 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.272 3.471 7.058 1.00 0.00 H new ATOM 611 N ASP A 39 -5.304 6.091 1.448 1.00 0.00 N ATOM 612 CA ASP A 39 -5.829 6.670 0.224 1.00 0.00 C ATOM 613 C ASP A 39 -4.798 7.587 -0.390 1.00 0.00 C ATOM 614 O ASP A 39 -4.300 8.505 0.269 1.00 0.00 O ATOM 615 CB ASP A 39 -7.128 7.450 0.482 1.00 0.00 C ATOM 616 CG ASP A 39 -7.653 8.146 -0.768 1.00 0.00 C ATOM 617 OD1 ASP A 39 -7.225 9.288 -1.054 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.492 7.580 -1.477 1.00 0.00 O ATOM 0 H ASP A 39 -5.559 6.593 2.299 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.056 5.855 -0.464 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.889 6.767 0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.953 8.193 1.260 1.00 0.00 H new ATOM 623 N VAL A 40 -4.471 7.343 -1.631 1.00 0.00 N ATOM 624 CA VAL A 40 -3.520 8.172 -2.355 1.00 0.00 C ATOM 625 C VAL A 40 -4.192 8.870 -3.510 1.00 0.00 C ATOM 626 O VAL A 40 -3.525 9.372 -4.414 1.00 0.00 O ATOM 627 CB VAL A 40 -2.285 7.388 -2.875 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.407 6.927 -1.736 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.702 6.207 -3.729 1.00 0.00 C ATOM 0 H VAL A 40 -4.850 6.568 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.156 8.904 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.707 8.072 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.551 6.381 -2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.056 7.792 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.979 6.274 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.815 5.679 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.318 5.530 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.273 6.562 -4.587 1.00 0.00 H new ATOM 639 N THR A 41 -5.510 8.954 -3.452 1.00 0.00 N ATOM 640 CA THR A 41 -6.282 9.619 -4.484 1.00 0.00 C ATOM 641 C THR A 41 -5.925 11.122 -4.504 1.00 0.00 C ATOM 642 O THR A 41 -6.016 11.786 -5.535 1.00 0.00 O ATOM 643 CB THR A 41 -7.797 9.436 -4.224 1.00 0.00 C ATOM 644 OG1 THR A 41 -8.078 8.041 -4.045 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.627 9.953 -5.394 1.00 0.00 C ATOM 0 H THR A 41 -6.071 8.566 -2.693 1.00 0.00 H new ATOM 0 HA THR A 41 -6.042 9.177 -5.451 1.00 0.00 H new ATOM 0 HB THR A 41 -8.060 10.004 -3.331 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.372 7.882 -3.124 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.686 9.810 -5.180 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.427 11.014 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.362 9.405 -6.298 1.00 0.00 H new ATOM 653 N THR A 42 -5.479 11.629 -3.352 1.00 0.00 N ATOM 654 CA THR A 42 -5.066 13.016 -3.215 1.00 0.00 C ATOM 655 C THR A 42 -3.722 13.244 -3.948 1.00 0.00 C ATOM 656 O THR A 42 -3.392 14.357 -4.345 1.00 0.00 O ATOM 657 CB THR A 42 -4.948 13.425 -1.705 1.00 0.00 C ATOM 658 OG1 THR A 42 -4.725 14.829 -1.585 1.00 0.00 O ATOM 659 CG2 THR A 42 -3.802 12.689 -1.019 1.00 0.00 C ATOM 0 H THR A 42 -5.396 11.085 -2.493 1.00 0.00 H new ATOM 0 HA THR A 42 -5.828 13.647 -3.671 1.00 0.00 H new ATOM 0 HB THR A 42 -5.887 13.154 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.655 15.069 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.747 12.995 0.026 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.975 11.614 -1.074 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.864 12.931 -1.518 1.00 0.00 H new ATOM 667 N GLY A 43 -2.980 12.169 -4.137 1.00 0.00 N ATOM 668 CA GLY A 43 -1.713 12.239 -4.805 1.00 0.00 C ATOM 669 C GLY A 43 -1.778 11.521 -6.124 1.00 0.00 C ATOM 670 O GLY A 43 -0.822 10.849 -6.535 1.00 0.00 O ATOM 0 H GLY A 43 -3.244 11.233 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.435 13.281 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.939 11.795 -4.179 1.00 0.00 H new ATOM 674 N LYS A 44 -2.906 11.675 -6.810 1.00 0.00 N ATOM 675 CA LYS A 44 -3.160 11.003 -8.035 1.00 0.00 C ATOM 676 C LYS A 44 -2.158 11.428 -9.115 1.00 0.00 C ATOM 677 O LYS A 44 -1.846 10.649 -10.004 1.00 0.00 O ATOM 678 CB LYS A 44 -4.655 11.191 -8.418 1.00 0.00 C ATOM 679 CG LYS A 44 -5.113 10.485 -9.683 1.00 0.00 C ATOM 680 CD LYS A 44 -4.815 11.273 -10.936 1.00 0.00 C ATOM 681 CE LYS A 44 -5.737 12.483 -11.078 1.00 0.00 C ATOM 682 NZ LYS A 44 -5.474 13.241 -12.321 1.00 0.00 N ATOM 0 H LYS A 44 -3.667 12.284 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.001 9.930 -7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.269 10.841 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.849 12.258 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.625 9.512 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.186 10.301 -9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.778 11.607 -10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.926 10.627 -11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.775 12.150 -11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.606 13.141 -10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.122 14.053 -12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.491 13.582 -12.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.624 12.622 -13.143 1.00 0.00 H new ATOM 696 N SER A 45 -1.611 12.635 -8.984 1.00 0.00 N ATOM 697 CA SER A 45 -0.593 13.128 -9.915 1.00 0.00 C ATOM 698 C SER A 45 0.668 12.239 -9.879 1.00 0.00 C ATOM 699 O SER A 45 1.397 12.141 -10.862 1.00 0.00 O ATOM 700 CB SER A 45 -0.204 14.570 -9.566 1.00 0.00 C ATOM 701 OG SER A 45 -1.337 15.434 -9.568 1.00 0.00 O ATOM 0 H SER A 45 -1.855 13.291 -8.242 1.00 0.00 H new ATOM 0 HA SER A 45 -1.018 13.097 -10.918 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.270 14.592 -8.584 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.532 14.933 -10.283 1.00 0.00 H new ATOM 0 HG SER A 45 -1.055 16.344 -9.340 1.00 0.00 H new ATOM 707 N PHE A 46 0.902 11.586 -8.754 1.00 0.00 N ATOM 708 CA PHE A 46 2.084 10.766 -8.592 1.00 0.00 C ATOM 709 C PHE A 46 1.779 9.294 -8.795 1.00 0.00 C ATOM 710 O PHE A 46 2.470 8.603 -9.540 1.00 0.00 O ATOM 711 CB PHE A 46 2.692 10.964 -7.198 1.00 0.00 C ATOM 712 CG PHE A 46 3.129 12.369 -6.904 1.00 0.00 C ATOM 713 CD1 PHE A 46 4.373 12.818 -7.311 1.00 0.00 C ATOM 714 CD2 PHE A 46 2.295 13.240 -6.218 1.00 0.00 C ATOM 715 CE1 PHE A 46 4.781 14.108 -7.040 1.00 0.00 C ATOM 716 CE2 PHE A 46 2.698 14.532 -5.945 1.00 0.00 C ATOM 717 CZ PHE A 46 3.942 14.967 -6.357 1.00 0.00 C ATOM 0 H PHE A 46 0.287 11.609 -7.940 1.00 0.00 H new ATOM 0 HA PHE A 46 2.797 11.082 -9.354 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.960 10.660 -6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.550 10.300 -7.092 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.032 12.151 -7.847 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.321 12.904 -5.894 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.755 14.446 -7.361 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.041 15.202 -5.410 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.259 15.978 -6.146 1.00 0.00 H new ATOM 727 N TYR A 47 0.748 8.812 -8.142 1.00 0.00 N ATOM 728 CA TYR A 47 0.461 7.397 -8.176 1.00 0.00 C ATOM 729 C TYR A 47 -0.477 7.025 -9.328 1.00 0.00 C ATOM 730 O TYR A 47 -0.075 6.338 -10.262 1.00 0.00 O ATOM 731 CB TYR A 47 -0.122 6.964 -6.826 1.00 0.00 C ATOM 732 CG TYR A 47 0.707 7.457 -5.657 1.00 0.00 C ATOM 733 CD1 TYR A 47 1.897 6.848 -5.299 1.00 0.00 C ATOM 734 CD2 TYR A 47 0.301 8.561 -4.930 1.00 0.00 C ATOM 735 CE1 TYR A 47 2.654 7.334 -4.245 1.00 0.00 C ATOM 736 CE2 TYR A 47 1.041 9.044 -3.886 1.00 0.00 C ATOM 737 CZ TYR A 47 2.217 8.432 -3.544 1.00 0.00 C ATOM 738 OH TYR A 47 2.964 8.928 -2.498 1.00 0.00 O ATOM 0 H TYR A 47 0.100 9.371 -7.587 1.00 0.00 H new ATOM 0 HA TYR A 47 1.394 6.863 -8.355 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.139 7.344 -6.733 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.184 5.876 -6.792 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.240 5.983 -5.848 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.623 9.054 -5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.582 6.852 -3.976 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.698 9.906 -3.333 1.00 0.00 H new ATOM 0 HH TYR A 47 3.174 8.203 -1.873 1.00 0.00 H new ATOM 748 N GLY A 48 -1.698 7.541 -9.282 1.00 0.00 N ATOM 749 CA GLY A 48 -2.738 7.157 -10.239 1.00 0.00 C ATOM 750 C GLY A 48 -2.546 7.674 -11.647 1.00 0.00 C ATOM 751 O GLY A 48 -3.260 7.281 -12.555 1.00 0.00 O ATOM 0 H GLY A 48 -1.997 8.229 -8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.792 6.069 -10.274 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.699 7.512 -9.867 1.00 0.00 H new ATOM 755 N SER A 49 -1.603 8.541 -11.837 1.00 0.00 N ATOM 756 CA SER A 49 -1.361 9.091 -13.141 1.00 0.00 C ATOM 757 C SER A 49 -0.349 8.224 -13.895 1.00 0.00 C ATOM 758 O SER A 49 0.123 8.604 -14.969 1.00 0.00 O ATOM 759 CB SER A 49 -0.850 10.541 -13.007 1.00 0.00 C ATOM 760 OG SER A 49 -0.739 11.188 -14.274 1.00 0.00 O ATOM 0 H SER A 49 -0.983 8.887 -11.105 1.00 0.00 H new ATOM 0 HA SER A 49 -2.291 9.102 -13.709 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.529 11.107 -12.369 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.122 10.539 -12.515 1.00 0.00 H new ATOM 0 HG SER A 49 -0.397 10.553 -14.937 1.00 0.00 H new ATOM 766 N GLY A 50 -0.043 7.047 -13.343 1.00 0.00 N ATOM 767 CA GLY A 50 0.951 6.192 -13.944 1.00 0.00 C ATOM 768 C GLY A 50 2.309 6.811 -13.786 1.00 0.00 C ATOM 769 O GLY A 50 3.128 6.804 -14.705 1.00 0.00 O ATOM 0 H GLY A 50 -0.469 6.679 -12.493 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.932 5.209 -13.474 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.728 6.045 -15.001 1.00 0.00 H new ATOM 773 N GLY A 51 2.535 7.364 -12.610 1.00 0.00 N ATOM 774 CA GLY A 51 3.749 8.076 -12.345 1.00 0.00 C ATOM 775 C GLY A 51 4.887 7.182 -11.922 1.00 0.00 C ATOM 776 O GLY A 51 4.875 5.966 -12.169 1.00 0.00 O ATOM 0 H GLY A 51 1.884 7.328 -11.826 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.042 8.626 -13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.566 8.813 -11.563 1.00 0.00 H new ATOM 780 N ASP A 52 5.845 7.771 -11.259 1.00 0.00 N ATOM 781 CA ASP A 52 7.056 7.083 -10.827 1.00 0.00 C ATOM 782 C ASP A 52 6.763 6.105 -9.697 1.00 0.00 C ATOM 783 O ASP A 52 7.442 5.106 -9.541 1.00 0.00 O ATOM 784 CB ASP A 52 8.107 8.111 -10.384 1.00 0.00 C ATOM 785 CG ASP A 52 9.416 7.493 -9.934 1.00 0.00 C ATOM 786 OD1 ASP A 52 10.285 7.207 -10.791 1.00 0.00 O ATOM 787 OD2 ASP A 52 9.610 7.295 -8.729 1.00 0.00 O ATOM 0 H ASP A 52 5.817 8.756 -10.994 1.00 0.00 H new ATOM 0 HA ASP A 52 7.444 6.510 -11.669 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.304 8.795 -11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.698 8.707 -9.568 1.00 0.00 H new ATOM 792 N TYR A 53 5.729 6.384 -8.935 1.00 0.00 N ATOM 793 CA TYR A 53 5.369 5.546 -7.799 1.00 0.00 C ATOM 794 C TYR A 53 4.069 4.786 -8.060 1.00 0.00 C ATOM 795 O TYR A 53 3.392 4.351 -7.130 1.00 0.00 O ATOM 796 CB TYR A 53 5.243 6.400 -6.538 1.00 0.00 C ATOM 797 CG TYR A 53 6.535 7.058 -6.103 1.00 0.00 C ATOM 798 CD1 TYR A 53 7.466 6.356 -5.349 1.00 0.00 C ATOM 799 CD2 TYR A 53 6.817 8.376 -6.430 1.00 0.00 C ATOM 800 CE1 TYR A 53 8.639 6.945 -4.935 1.00 0.00 C ATOM 801 CE2 TYR A 53 7.994 8.973 -6.022 1.00 0.00 C ATOM 802 CZ TYR A 53 8.901 8.250 -5.273 1.00 0.00 C ATOM 803 OH TYR A 53 10.075 8.839 -4.856 1.00 0.00 O ATOM 0 H TYR A 53 5.116 7.187 -9.077 1.00 0.00 H new ATOM 0 HA TYR A 53 6.161 4.811 -7.654 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.494 7.173 -6.710 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.875 5.775 -5.725 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.266 5.329 -5.082 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.106 8.944 -7.012 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.350 6.384 -4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.203 9.999 -6.287 1.00 0.00 H new ATOM 0 HH TYR A 53 10.110 9.764 -5.178 1.00 0.00 H new ATOM 813 N SER A 54 3.770 4.563 -9.330 1.00 0.00 N ATOM 814 CA SER A 54 2.533 3.889 -9.748 1.00 0.00 C ATOM 815 C SER A 54 2.539 2.387 -9.369 1.00 0.00 C ATOM 816 O SER A 54 1.511 1.722 -9.463 1.00 0.00 O ATOM 817 CB SER A 54 2.360 4.043 -11.267 1.00 0.00 C ATOM 818 OG SER A 54 1.129 3.499 -11.729 1.00 0.00 O ATOM 0 H SER A 54 4.372 4.841 -10.105 1.00 0.00 H new ATOM 0 HA SER A 54 1.699 4.356 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.409 5.099 -11.531 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.187 3.548 -11.776 1.00 0.00 H new ATOM 0 HG SER A 54 0.789 2.855 -11.073 1.00 0.00 H new ATOM 824 N MET A 55 3.692 1.889 -8.936 1.00 0.00 N ATOM 825 CA MET A 55 3.898 0.470 -8.594 1.00 0.00 C ATOM 826 C MET A 55 2.879 -0.027 -7.579 1.00 0.00 C ATOM 827 O MET A 55 2.257 -1.071 -7.763 1.00 0.00 O ATOM 828 CB MET A 55 5.292 0.264 -7.993 1.00 0.00 C ATOM 829 CG MET A 55 6.517 0.467 -8.898 1.00 0.00 C ATOM 830 SD MET A 55 6.635 2.072 -9.744 1.00 0.00 S ATOM 831 CE MET A 55 5.714 1.768 -11.266 1.00 0.00 C ATOM 0 H MET A 55 4.527 2.461 -8.808 1.00 0.00 H new ATOM 0 HA MET A 55 3.785 -0.092 -9.521 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.391 0.941 -7.144 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.336 -0.751 -7.598 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.415 0.331 -8.295 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.519 -0.319 -9.653 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.195 2.679 -11.565 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.404 1.468 -12.055 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.986 0.974 -11.099 1.00 0.00 H new ATOM 841 N PHE A 56 2.709 0.728 -6.523 1.00 0.00 N ATOM 842 CA PHE A 56 1.839 0.333 -5.432 1.00 0.00 C ATOM 843 C PHE A 56 0.434 0.874 -5.520 1.00 0.00 C ATOM 844 O PHE A 56 -0.335 0.760 -4.572 1.00 0.00 O ATOM 845 CB PHE A 56 2.482 0.567 -4.058 1.00 0.00 C ATOM 846 CG PHE A 56 3.441 1.710 -3.985 1.00 0.00 C ATOM 847 CD1 PHE A 56 3.015 2.981 -3.720 1.00 0.00 C ATOM 848 CD2 PHE A 56 4.796 1.483 -4.173 1.00 0.00 C ATOM 849 CE1 PHE A 56 3.914 4.016 -3.643 1.00 0.00 C ATOM 850 CE2 PHE A 56 5.700 2.505 -4.101 1.00 0.00 C ATOM 851 CZ PHE A 56 5.261 3.781 -3.833 1.00 0.00 C ATOM 0 H PHE A 56 3.165 1.631 -6.391 1.00 0.00 H new ATOM 0 HA PHE A 56 1.719 -0.744 -5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.689 0.733 -3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.004 -0.343 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.963 3.173 -3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.143 0.481 -4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.566 5.017 -3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.752 2.313 -4.253 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.967 4.596 -3.772 1.00 0.00 H new ATOM 861 N ALA A 57 0.076 1.415 -6.659 1.00 0.00 N ATOM 862 CA ALA A 57 -1.278 1.862 -6.857 1.00 0.00 C ATOM 863 C ALA A 57 -2.168 0.629 -6.977 1.00 0.00 C ATOM 864 O ALA A 57 -2.097 -0.104 -7.970 1.00 0.00 O ATOM 865 CB ALA A 57 -1.382 2.742 -8.096 1.00 0.00 C ATOM 0 H ALA A 57 0.698 1.555 -7.455 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.602 2.469 -6.011 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.414 3.068 -8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.738 3.614 -7.978 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.068 2.175 -8.972 1.00 0.00 H new ATOM 871 N GLY A 58 -2.946 0.371 -5.943 1.00 0.00 N ATOM 872 CA GLY A 58 -3.791 -0.799 -5.908 1.00 0.00 C ATOM 873 C GLY A 58 -3.003 -2.036 -5.510 1.00 0.00 C ATOM 874 O GLY A 58 -3.405 -3.171 -5.804 1.00 0.00 O ATOM 0 H GLY A 58 -3.008 0.962 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.606 -0.641 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.244 -0.953 -6.887 1.00 0.00 H new ATOM 878 N LYS A 59 -1.883 -1.825 -4.841 1.00 0.00 N ATOM 879 CA LYS A 59 -0.997 -2.911 -4.486 1.00 0.00 C ATOM 880 C LYS A 59 -0.310 -2.665 -3.136 1.00 0.00 C ATOM 881 O LYS A 59 0.092 -1.539 -2.826 1.00 0.00 O ATOM 882 CB LYS A 59 0.057 -3.074 -5.611 1.00 0.00 C ATOM 883 CG LYS A 59 1.187 -4.068 -5.370 1.00 0.00 C ATOM 884 CD LYS A 59 0.732 -5.525 -5.221 1.00 0.00 C ATOM 885 CE LYS A 59 -0.012 -6.034 -6.454 1.00 0.00 C ATOM 886 NZ LYS A 59 0.832 -5.995 -7.677 1.00 0.00 N ATOM 0 H LYS A 59 -1.568 -0.905 -4.533 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.581 -3.826 -4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.464 -3.370 -6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.502 -2.097 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.893 -4.004 -6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.726 -3.775 -4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.601 -6.157 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.085 -5.613 -4.348 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.346 -7.057 -6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.905 -5.430 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.315 -6.427 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.060 -5.007 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.712 -6.523 -7.508 1.00 0.00 H new ATOM 900 N ASP A 60 -0.224 -3.701 -2.327 1.00 0.00 N ATOM 901 CA ASP A 60 0.585 -3.640 -1.115 1.00 0.00 C ATOM 902 C ASP A 60 2.024 -3.841 -1.538 1.00 0.00 C ATOM 903 O ASP A 60 2.344 -4.816 -2.230 1.00 0.00 O ATOM 904 CB ASP A 60 0.188 -4.734 -0.104 1.00 0.00 C ATOM 905 CG ASP A 60 0.989 -4.666 1.220 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.217 -4.901 1.208 1.00 0.00 O ATOM 907 OD2 ASP A 60 0.377 -4.424 2.299 1.00 0.00 O ATOM 0 H ASP A 60 -0.698 -4.591 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 60 0.434 -2.680 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.875 -4.645 0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.337 -5.712 -0.561 1.00 0.00 H new ATOM 912 N ALA A 61 2.873 -2.941 -1.166 1.00 0.00 N ATOM 913 CA ALA A 61 4.256 -2.996 -1.586 1.00 0.00 C ATOM 914 C ALA A 61 5.161 -2.905 -0.395 1.00 0.00 C ATOM 915 O ALA A 61 6.291 -2.414 -0.495 1.00 0.00 O ATOM 916 CB ALA A 61 4.525 -1.853 -2.538 1.00 0.00 C ATOM 0 H ALA A 61 2.642 -2.148 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 61 4.449 -3.943 -2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.566 -1.885 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.873 -1.942 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.331 -0.906 -2.034 1.00 0.00 H new ATOM 922 N SER A 62 4.701 -3.446 0.705 1.00 0.00 N ATOM 923 CA SER A 62 5.387 -3.342 1.955 1.00 0.00 C ATOM 924 C SER A 62 6.853 -3.889 1.881 1.00 0.00 C ATOM 925 O SER A 62 7.757 -3.259 2.398 1.00 0.00 O ATOM 926 CB SER A 62 4.550 -4.006 3.045 1.00 0.00 C ATOM 927 OG SER A 62 4.897 -3.528 4.333 1.00 0.00 O ATOM 0 H SER A 62 3.830 -3.975 0.752 1.00 0.00 H new ATOM 0 HA SER A 62 5.501 -2.288 2.210 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.493 -3.817 2.859 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.692 -5.086 3.007 1.00 0.00 H new ATOM 0 HG SER A 62 4.596 -4.168 5.011 1.00 0.00 H new ATOM 933 N ARG A 63 7.100 -5.032 1.223 1.00 0.00 N ATOM 934 CA ARG A 63 8.509 -5.492 1.106 1.00 0.00 C ATOM 935 C ARG A 63 9.288 -4.684 0.085 1.00 0.00 C ATOM 936 O ARG A 63 10.477 -4.478 0.247 1.00 0.00 O ATOM 937 CB ARG A 63 8.692 -6.979 0.786 1.00 0.00 C ATOM 938 CG ARG A 63 8.375 -7.425 -0.621 1.00 0.00 C ATOM 939 CD ARG A 63 8.841 -8.855 -0.788 1.00 0.00 C ATOM 940 NE ARG A 63 8.612 -9.398 -2.120 1.00 0.00 N ATOM 941 CZ ARG A 63 9.051 -10.604 -2.518 1.00 0.00 C ATOM 942 NH1 ARG A 63 9.876 -11.301 -1.737 1.00 0.00 N ATOM 943 NH2 ARG A 63 8.705 -11.092 -3.704 1.00 0.00 N ATOM 0 H ARG A 63 6.398 -5.629 0.786 1.00 0.00 H new ATOM 0 HA ARG A 63 8.902 -5.331 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.727 -7.246 1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.067 -7.552 1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.304 -7.351 -0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.871 -6.778 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.906 -8.908 -0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.329 -9.481 -0.058 1.00 0.00 H new ATOM 0 HE ARG A 63 8.089 -8.831 -2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.173 -10.919 -0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.210 -12.217 -2.037 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.101 -10.550 -4.322 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.044 -12.009 -3.997 1.00 0.00 H new ATOM 957 N ALA A 64 8.599 -4.192 -0.938 1.00 0.00 N ATOM 958 CA ALA A 64 9.250 -3.507 -2.052 1.00 0.00 C ATOM 959 C ALA A 64 9.811 -2.224 -1.551 1.00 0.00 C ATOM 960 O ALA A 64 10.866 -1.780 -1.968 1.00 0.00 O ATOM 961 CB ALA A 64 8.265 -3.262 -3.180 1.00 0.00 C ATOM 0 H ALA A 64 7.584 -4.255 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 64 10.052 -4.128 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.770 -2.751 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.873 -4.215 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.444 -2.644 -2.818 1.00 0.00 H new ATOM 967 N LEU A 65 9.100 -1.659 -0.613 1.00 0.00 N ATOM 968 CA LEU A 65 9.510 -0.487 0.088 1.00 0.00 C ATOM 969 C LEU A 65 10.800 -0.707 0.861 1.00 0.00 C ATOM 970 O LEU A 65 11.581 0.206 1.029 1.00 0.00 O ATOM 971 CB LEU A 65 8.406 -0.044 1.027 1.00 0.00 C ATOM 972 CG LEU A 65 7.200 0.654 0.410 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.195 1.004 1.482 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.647 1.911 -0.259 1.00 0.00 C ATOM 0 H LEU A 65 8.194 -2.017 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 65 9.703 0.293 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.048 -0.922 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.842 0.627 1.767 1.00 0.00 H new ATOM 0 HG LEU A 65 6.737 -0.016 -0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.338 1.502 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.863 0.093 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.658 1.669 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.787 2.413 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.113 2.568 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.368 1.671 -1.040 1.00 0.00 H new ATOM 986 N GLY A 66 11.029 -1.920 1.308 1.00 0.00 N ATOM 987 CA GLY A 66 12.213 -2.189 2.078 1.00 0.00 C ATOM 988 C GLY A 66 13.380 -2.523 1.203 1.00 0.00 C ATOM 989 O GLY A 66 14.529 -2.418 1.609 1.00 0.00 O ATOM 0 H GLY A 66 10.419 -2.723 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.454 -1.320 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.022 -3.017 2.761 1.00 0.00 H new ATOM 993 N LYS A 67 13.083 -2.913 0.000 1.00 0.00 N ATOM 994 CA LYS A 67 14.095 -3.313 -0.936 1.00 0.00 C ATOM 995 C LYS A 67 14.467 -2.160 -1.859 1.00 0.00 C ATOM 996 O LYS A 67 15.591 -2.097 -2.348 1.00 0.00 O ATOM 997 CB LYS A 67 13.575 -4.459 -1.782 1.00 0.00 C ATOM 998 CG LYS A 67 13.081 -5.678 -1.006 1.00 0.00 C ATOM 999 CD LYS A 67 14.159 -6.328 -0.161 1.00 0.00 C ATOM 1000 CE LYS A 67 15.373 -6.687 -0.970 1.00 0.00 C ATOM 1001 NZ LYS A 67 16.359 -7.448 -0.168 1.00 0.00 N ATOM 0 H LYS A 67 12.131 -2.964 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 67 14.977 -3.620 -0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.758 -4.089 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.368 -4.778 -2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.254 -5.379 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.688 -6.413 -1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.447 -5.650 0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.758 -7.226 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.072 -7.279 -1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.838 -5.778 -1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.294 -7.388 -0.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.411 -7.047 0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.065 -8.444 -0.111 1.00 0.00 H new ATOM 1015 N MET A 68 13.489 -1.270 -2.101 1.00 0.00 N ATOM 1016 CA MET A 68 13.597 -0.114 -3.025 1.00 0.00 C ATOM 1017 C MET A 68 13.379 -0.592 -4.433 1.00 0.00 C ATOM 1018 O MET A 68 13.697 0.091 -5.416 1.00 0.00 O ATOM 1019 CB MET A 68 14.924 0.675 -2.890 1.00 0.00 C ATOM 1020 CG MET A 68 15.099 1.432 -1.593 1.00 0.00 C ATOM 1021 SD MET A 68 13.844 2.706 -1.348 1.00 0.00 S ATOM 1022 CE MET A 68 14.110 3.733 -2.799 1.00 0.00 C ATOM 0 H MET A 68 12.576 -1.331 -1.651 1.00 0.00 H new ATOM 0 HA MET A 68 12.821 0.600 -2.749 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.754 -0.023 -2.999 1.00 0.00 H new ATOM 0 HB3 MET A 68 14.992 1.383 -3.716 1.00 0.00 H new ATOM 0 HG2 MET A 68 15.063 0.729 -0.760 1.00 0.00 H new ATOM 0 HG3 MET A 68 16.086 1.894 -1.578 1.00 0.00 H new ATOM 0 HE1 MET A 68 13.984 4.782 -2.530 1.00 0.00 H new ATOM 0 HE2 MET A 68 15.120 3.574 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.387 3.467 -3.570 1.00 0.00 H new ATOM 1032 N SER A 69 12.780 -1.754 -4.513 1.00 0.00 N ATOM 1033 CA SER A 69 12.482 -2.391 -5.742 1.00 0.00 C ATOM 1034 C SER A 69 11.136 -1.911 -6.232 1.00 0.00 C ATOM 1035 O SER A 69 10.202 -1.737 -5.447 1.00 0.00 O ATOM 1036 CB SER A 69 12.411 -3.880 -5.526 1.00 0.00 C ATOM 1037 OG SER A 69 13.579 -4.400 -4.908 1.00 0.00 O ATOM 0 H SER A 69 12.484 -2.286 -3.694 1.00 0.00 H new ATOM 0 HA SER A 69 13.256 -2.156 -6.473 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.544 -4.112 -4.908 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.261 -4.376 -6.485 1.00 0.00 H new ATOM 0 HG SER A 69 13.338 -5.166 -4.346 1.00 0.00 H new ATOM 1043 N LYS A 70 11.036 -1.689 -7.501 1.00 0.00 N ATOM 1044 CA LYS A 70 9.806 -1.237 -8.078 1.00 0.00 C ATOM 1045 C LYS A 70 9.188 -2.325 -8.931 1.00 0.00 C ATOM 1046 O LYS A 70 8.043 -2.221 -9.362 1.00 0.00 O ATOM 1047 CB LYS A 70 10.074 0.014 -8.881 1.00 0.00 C ATOM 1048 CG LYS A 70 10.696 1.115 -8.037 1.00 0.00 C ATOM 1049 CD LYS A 70 11.015 2.340 -8.853 1.00 0.00 C ATOM 1050 CE LYS A 70 9.764 2.986 -9.387 1.00 0.00 C ATOM 1051 NZ LYS A 70 10.050 4.181 -10.180 1.00 0.00 N ATOM 0 H LYS A 70 11.798 -1.814 -8.167 1.00 0.00 H new ATOM 0 HA LYS A 70 9.090 -1.002 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.739 -0.225 -9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.140 0.373 -9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.013 1.384 -7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.608 0.743 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.562 3.056 -8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.668 2.067 -9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.220 2.267 -10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.112 3.252 -8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.223 4.811 -10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.869 4.678 -9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.262 3.905 -11.160 1.00 0.00 H new ATOM 1065 N ASN A 71 9.949 -3.371 -9.165 1.00 0.00 N ATOM 1066 CA ASN A 71 9.479 -4.493 -9.951 1.00 0.00 C ATOM 1067 C ASN A 71 8.479 -5.329 -9.218 1.00 0.00 C ATOM 1068 O ASN A 71 8.633 -5.633 -8.035 1.00 0.00 O ATOM 1069 CB ASN A 71 10.615 -5.362 -10.484 1.00 0.00 C ATOM 1070 CG ASN A 71 11.587 -5.818 -9.404 1.00 0.00 C ATOM 1071 OD1 ASN A 71 12.539 -5.115 -9.090 1.00 0.00 O ATOM 1072 ND2 ASN A 71 11.380 -6.984 -8.856 1.00 0.00 N ATOM 0 H ASN A 71 10.904 -3.469 -8.820 1.00 0.00 H new ATOM 0 HA ASN A 71 8.976 -4.049 -10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.192 -6.238 -10.975 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.163 -4.804 -11.244 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.021 -7.334 -8.144 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.577 -7.546 -9.140 1.00 0.00 H new ATOM 1079 N GLU A 72 7.485 -5.730 -9.957 1.00 0.00 N ATOM 1080 CA GLU A 72 6.360 -6.510 -9.492 1.00 0.00 C ATOM 1081 C GLU A 72 6.787 -7.821 -8.857 1.00 0.00 C ATOM 1082 O GLU A 72 6.170 -8.283 -7.903 1.00 0.00 O ATOM 1083 CB GLU A 72 5.359 -6.757 -10.639 1.00 0.00 C ATOM 1084 CG GLU A 72 5.902 -7.452 -11.907 1.00 0.00 C ATOM 1085 CD GLU A 72 6.979 -6.670 -12.610 1.00 0.00 C ATOM 1086 OE1 GLU A 72 6.680 -5.632 -13.202 1.00 0.00 O ATOM 1087 OE2 GLU A 72 8.154 -7.080 -12.557 1.00 0.00 O ATOM 0 H GLU A 72 7.429 -5.514 -10.952 1.00 0.00 H new ATOM 0 HA GLU A 72 5.866 -5.928 -8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.538 -7.358 -10.248 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.938 -5.796 -10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.295 -8.431 -11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.077 -7.622 -12.599 1.00 0.00 H new ATOM 1094 N GLU A 73 7.866 -8.389 -9.369 1.00 0.00 N ATOM 1095 CA GLU A 73 8.435 -9.624 -8.837 1.00 0.00 C ATOM 1096 C GLU A 73 8.893 -9.473 -7.385 1.00 0.00 C ATOM 1097 O GLU A 73 9.136 -10.464 -6.697 1.00 0.00 O ATOM 1098 CB GLU A 73 9.582 -10.119 -9.708 1.00 0.00 C ATOM 1099 CG GLU A 73 9.167 -10.485 -11.117 1.00 0.00 C ATOM 1100 CD GLU A 73 8.122 -11.575 -11.145 1.00 0.00 C ATOM 1101 OE1 GLU A 73 8.486 -12.768 -11.058 1.00 0.00 O ATOM 1102 OE2 GLU A 73 6.925 -11.261 -11.267 1.00 0.00 O ATOM 0 H GLU A 73 8.376 -8.009 -10.167 1.00 0.00 H new ATOM 0 HA GLU A 73 7.639 -10.368 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.350 -9.347 -9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.035 -10.990 -9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.778 -9.600 -11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.043 -10.811 -11.678 1.00 0.00 H new ATOM 1109 N ASP A 74 9.055 -8.248 -6.934 1.00 0.00 N ATOM 1110 CA ASP A 74 9.483 -8.021 -5.577 1.00 0.00 C ATOM 1111 C ASP A 74 8.401 -7.268 -4.787 1.00 0.00 C ATOM 1112 O ASP A 74 8.572 -6.941 -3.632 1.00 0.00 O ATOM 1113 CB ASP A 74 10.830 -7.287 -5.561 1.00 0.00 C ATOM 1114 CG ASP A 74 11.454 -7.186 -4.184 1.00 0.00 C ATOM 1115 OD1 ASP A 74 11.806 -8.246 -3.606 1.00 0.00 O ATOM 1116 OD2 ASP A 74 11.613 -6.075 -3.687 1.00 0.00 O ATOM 0 H ASP A 74 8.898 -7.403 -7.483 1.00 0.00 H new ATOM 0 HA ASP A 74 9.629 -8.981 -5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.522 -7.803 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.691 -6.283 -5.961 1.00 0.00 H new ATOM 1121 N VAL A 75 7.261 -7.046 -5.404 1.00 0.00 N ATOM 1122 CA VAL A 75 6.178 -6.375 -4.713 1.00 0.00 C ATOM 1123 C VAL A 75 5.266 -7.443 -4.126 1.00 0.00 C ATOM 1124 O VAL A 75 4.761 -8.298 -4.855 1.00 0.00 O ATOM 1125 CB VAL A 75 5.370 -5.436 -5.641 1.00 0.00 C ATOM 1126 CG1 VAL A 75 4.354 -4.681 -4.855 1.00 0.00 C ATOM 1127 CG2 VAL A 75 6.265 -4.455 -6.336 1.00 0.00 C ATOM 0 H VAL A 75 7.060 -7.315 -6.367 1.00 0.00 H new ATOM 0 HA VAL A 75 6.601 -5.744 -3.932 1.00 0.00 H new ATOM 0 HB VAL A 75 4.878 -6.060 -6.387 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.793 -4.025 -5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.670 -5.382 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.854 -4.083 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.667 -3.810 -6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.784 -3.847 -5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.996 -4.993 -6.939 1.00 0.00 H new ATOM 1137 N SER A 76 5.039 -7.389 -2.838 1.00 0.00 N ATOM 1138 CA SER A 76 4.339 -8.441 -2.155 1.00 0.00 C ATOM 1139 C SER A 76 3.623 -7.815 -0.972 1.00 0.00 C ATOM 1140 O SER A 76 4.113 -6.809 -0.439 1.00 0.00 O ATOM 1141 CB SER A 76 5.388 -9.458 -1.658 1.00 0.00 C ATOM 1142 OG SER A 76 4.815 -10.697 -1.267 1.00 0.00 O ATOM 0 H SER A 76 5.333 -6.618 -2.238 1.00 0.00 H new ATOM 0 HA SER A 76 3.620 -8.943 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.118 -9.634 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.929 -9.031 -0.813 1.00 0.00 H new ATOM 0 HG SER A 76 5.526 -11.315 -0.995 1.00 0.00 H new ATOM 1148 N PRO A 77 2.475 -8.396 -0.533 1.00 0.00 N ATOM 1149 CA PRO A 77 1.672 -7.868 0.591 1.00 0.00 C ATOM 1150 C PRO A 77 2.323 -8.064 1.968 1.00 0.00 C ATOM 1151 O PRO A 77 1.667 -7.927 3.008 1.00 0.00 O ATOM 1152 CB PRO A 77 0.368 -8.668 0.499 1.00 0.00 C ATOM 1153 CG PRO A 77 0.770 -9.954 -0.128 1.00 0.00 C ATOM 1154 CD PRO A 77 1.853 -9.610 -1.111 1.00 0.00 C ATOM 0 HA PRO A 77 1.548 -6.788 0.509 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.072 -8.826 1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.377 -8.147 -0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.132 -10.658 0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.076 -10.427 -0.628 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.575 -10.421 -1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.447 -9.418 -2.104 1.00 0.00 H new ATOM 1162 N SER A 78 3.583 -8.368 1.977 1.00 0.00 N ATOM 1163 CA SER A 78 4.343 -8.555 3.180 1.00 0.00 C ATOM 1164 C SER A 78 5.780 -8.375 2.904 1.00 0.00 C ATOM 1165 O SER A 78 6.184 -8.185 1.765 1.00 0.00 O ATOM 1166 CB SER A 78 4.104 -9.922 3.803 1.00 0.00 C ATOM 1167 OG SER A 78 2.753 -10.076 4.215 1.00 0.00 O ATOM 0 H SER A 78 4.130 -8.497 1.126 1.00 0.00 H new ATOM 0 HA SER A 78 4.008 -7.804 3.896 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.357 -10.701 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.764 -10.053 4.660 1.00 0.00 H new ATOM 0 HG SER A 78 2.265 -9.241 4.056 1.00 0.00 H new ATOM 1173 N LEU A 79 6.530 -8.451 3.950 1.00 0.00 N ATOM 1174 CA LEU A 79 7.938 -8.269 3.957 1.00 0.00 C ATOM 1175 C LEU A 79 8.591 -9.588 3.702 1.00 0.00 C ATOM 1176 O LEU A 79 9.563 -9.695 2.945 1.00 0.00 O ATOM 1177 CB LEU A 79 8.317 -7.724 5.316 1.00 0.00 C ATOM 1178 CG LEU A 79 8.178 -6.204 5.552 1.00 0.00 C ATOM 1179 CD1 LEU A 79 6.880 -5.652 5.075 1.00 0.00 C ATOM 1180 CD2 LEU A 79 8.237 -5.939 6.987 1.00 0.00 C ATOM 0 H LEU A 79 6.153 -8.654 4.876 1.00 0.00 H new ATOM 0 HA LEU A 79 8.263 -7.573 3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.708 -8.235 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.354 -7.998 5.508 1.00 0.00 H new ATOM 0 HG LEU A 79 8.988 -5.732 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.847 -4.580 5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.781 -5.829 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.061 -6.142 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.140 -4.868 7.163 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.424 -6.465 7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.192 -6.287 7.382 1.00 0.00 H new ATOM 1192 N GLU A 80 8.019 -10.579 4.351 1.00 0.00 N ATOM 1193 CA GLU A 80 8.304 -12.005 4.253 1.00 0.00 C ATOM 1194 C GLU A 80 9.747 -12.456 4.555 1.00 0.00 C ATOM 1195 O GLU A 80 9.955 -13.352 5.370 1.00 0.00 O ATOM 1196 CB GLU A 80 7.703 -12.656 2.995 1.00 0.00 C ATOM 1197 CG GLU A 80 8.277 -12.185 1.663 1.00 0.00 C ATOM 1198 CD GLU A 80 7.622 -12.856 0.495 1.00 0.00 C ATOM 1199 OE1 GLU A 80 7.975 -14.017 0.197 1.00 0.00 O ATOM 1200 OE2 GLU A 80 6.742 -12.234 -0.147 1.00 0.00 O ATOM 0 H GLU A 80 7.274 -10.396 5.023 1.00 0.00 H new ATOM 0 HA GLU A 80 7.764 -12.411 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.840 -13.735 3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.629 -12.471 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.152 -11.106 1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.348 -12.384 1.640 1.00 0.00 H new ATOM 1207 N GLY A 81 10.710 -11.858 3.933 1.00 0.00 N ATOM 1208 CA GLY A 81 12.079 -12.245 4.139 1.00 0.00 C ATOM 1209 C GLY A 81 12.958 -11.048 4.289 1.00 0.00 C ATOM 1210 O GLY A 81 13.841 -10.808 3.464 1.00 0.00 O ATOM 0 H GLY A 81 10.578 -11.093 3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.154 -12.869 5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.420 -12.848 3.298 1.00 0.00 H new ATOM 1214 N LEU A 82 12.700 -10.276 5.319 1.00 0.00 N ATOM 1215 CA LEU A 82 13.433 -9.081 5.595 1.00 0.00 C ATOM 1216 C LEU A 82 13.798 -9.019 7.061 1.00 0.00 C ATOM 1217 O LEU A 82 12.946 -9.223 7.930 1.00 0.00 O ATOM 1218 CB LEU A 82 12.568 -7.871 5.240 1.00 0.00 C ATOM 1219 CG LEU A 82 12.159 -7.754 3.780 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.201 -6.626 3.600 1.00 0.00 C ATOM 1221 CD2 LEU A 82 13.344 -7.489 2.941 1.00 0.00 C ATOM 0 H LEU A 82 11.961 -10.471 5.994 1.00 0.00 H new ATOM 0 HA LEU A 82 14.347 -9.077 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.665 -7.903 5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.109 -6.967 5.520 1.00 0.00 H new ATOM 0 HG LEU A 82 11.690 -8.692 3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.917 -6.554 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.312 -6.804 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.673 -5.695 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.040 -7.407 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.812 -6.557 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.056 -8.307 3.048 1.00 0.00 H new ATOM 1233 N THR A 83 15.047 -8.774 7.333 1.00 0.00 N ATOM 1234 CA THR A 83 15.505 -8.554 8.685 1.00 0.00 C ATOM 1235 C THR A 83 15.312 -7.054 8.982 1.00 0.00 C ATOM 1236 O THR A 83 14.957 -6.305 8.059 1.00 0.00 O ATOM 1237 CB THR A 83 17.009 -8.973 8.840 1.00 0.00 C ATOM 1238 OG1 THR A 83 17.441 -8.839 10.202 1.00 0.00 O ATOM 1239 CG2 THR A 83 17.911 -8.134 7.945 1.00 0.00 C ATOM 0 H THR A 83 15.781 -8.720 6.627 1.00 0.00 H new ATOM 0 HA THR A 83 14.939 -9.161 9.392 1.00 0.00 H new ATOM 0 HB THR A 83 17.084 -10.018 8.539 1.00 0.00 H new ATOM 0 HG1 THR A 83 18.381 -9.107 10.275 1.00 0.00 H new ATOM 0 HG21 THR A 83 18.947 -8.448 8.075 1.00 0.00 H new ATOM 0 HG22 THR A 83 17.619 -8.270 6.904 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.814 -7.082 8.215 1.00 0.00 H new ATOM 1247 N GLU A 84 15.552 -6.608 10.225 1.00 0.00 N ATOM 1248 CA GLU A 84 15.334 -5.200 10.587 1.00 0.00 C ATOM 1249 C GLU A 84 16.060 -4.252 9.639 1.00 0.00 C ATOM 1250 O GLU A 84 15.493 -3.265 9.222 1.00 0.00 O ATOM 1251 CB GLU A 84 15.711 -4.891 12.041 1.00 0.00 C ATOM 1252 CG GLU A 84 15.417 -3.438 12.417 1.00 0.00 C ATOM 1253 CD GLU A 84 15.747 -3.093 13.837 1.00 0.00 C ATOM 1254 OE1 GLU A 84 14.871 -3.250 14.716 1.00 0.00 O ATOM 1255 OE2 GLU A 84 16.868 -2.635 14.098 1.00 0.00 O ATOM 0 H GLU A 84 15.893 -7.194 10.987 1.00 0.00 H new ATOM 0 HA GLU A 84 14.261 -5.034 10.488 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.160 -5.555 12.707 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.771 -5.096 12.191 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.981 -2.782 11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.360 -3.236 12.242 1.00 0.00 H new ATOM 1262 N LYS A 85 17.288 -4.611 9.256 1.00 0.00 N ATOM 1263 CA LYS A 85 18.113 -3.813 8.325 1.00 0.00 C ATOM 1264 C LYS A 85 17.317 -3.506 7.065 1.00 0.00 C ATOM 1265 O LYS A 85 17.148 -2.349 6.679 1.00 0.00 O ATOM 1266 CB LYS A 85 19.312 -4.652 7.892 1.00 0.00 C ATOM 1267 CG LYS A 85 20.194 -3.984 6.854 1.00 0.00 C ATOM 1268 CD LYS A 85 21.044 -4.994 6.109 1.00 0.00 C ATOM 1269 CE LYS A 85 21.961 -5.785 7.026 1.00 0.00 C ATOM 1270 NZ LYS A 85 22.798 -6.737 6.264 1.00 0.00 N ATOM 0 H LYS A 85 17.745 -5.463 9.579 1.00 0.00 H new ATOM 0 HA LYS A 85 18.419 -2.894 8.824 1.00 0.00 H new ATOM 0 HB2 LYS A 85 19.915 -4.885 8.770 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.953 -5.600 7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.572 -3.438 6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.840 -3.253 7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.393 -5.684 5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.645 -4.475 5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.601 -5.100 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.364 -6.329 7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.412 -7.261 6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.186 -7.406 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.385 -6.215 5.582 1.00 0.00 H new ATOM 1284 N GLU A 86 16.807 -4.549 6.489 1.00 0.00 N ATOM 1285 CA GLU A 86 16.057 -4.521 5.280 1.00 0.00 C ATOM 1286 C GLU A 86 14.773 -3.755 5.475 1.00 0.00 C ATOM 1287 O GLU A 86 14.393 -2.907 4.665 1.00 0.00 O ATOM 1288 CB GLU A 86 15.747 -5.953 4.936 1.00 0.00 C ATOM 1289 CG GLU A 86 16.949 -6.780 4.533 1.00 0.00 C ATOM 1290 CD GLU A 86 17.637 -6.255 3.294 1.00 0.00 C ATOM 1291 OE1 GLU A 86 17.270 -6.665 2.186 1.00 0.00 O ATOM 1292 OE2 GLU A 86 18.570 -5.438 3.418 1.00 0.00 O ATOM 0 H GLU A 86 16.910 -5.489 6.872 1.00 0.00 H new ATOM 0 HA GLU A 86 16.619 -4.030 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.270 -6.424 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.023 -5.968 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.662 -6.800 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.634 -7.809 4.359 1.00 0.00 H new ATOM 1299 N ILE A 87 14.130 -4.043 6.563 1.00 0.00 N ATOM 1300 CA ILE A 87 12.890 -3.439 6.906 1.00 0.00 C ATOM 1301 C ILE A 87 13.025 -1.923 7.125 1.00 0.00 C ATOM 1302 O ILE A 87 12.117 -1.193 6.787 1.00 0.00 O ATOM 1303 CB ILE A 87 12.291 -4.101 8.149 1.00 0.00 C ATOM 1304 CG1 ILE A 87 11.915 -5.554 7.884 1.00 0.00 C ATOM 1305 CG2 ILE A 87 11.098 -3.333 8.653 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.363 -6.253 9.110 1.00 0.00 C ATOM 0 H ILE A 87 14.463 -4.720 7.249 1.00 0.00 H new ATOM 0 HA ILE A 87 12.217 -3.591 6.062 1.00 0.00 H new ATOM 0 HB ILE A 87 13.059 -4.088 8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.174 -5.592 7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.794 -6.093 7.530 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.694 -3.827 9.536 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.401 -2.318 8.911 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.334 -3.297 7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.113 -7.284 8.859 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.111 -6.243 9.902 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.467 -5.735 9.451 1.00 0.00 H new ATOM 1318 N ASN A 88 14.183 -1.459 7.650 1.00 0.00 N ATOM 1319 CA ASN A 88 14.413 -0.003 7.927 1.00 0.00 C ATOM 1320 C ASN A 88 14.069 0.866 6.762 1.00 0.00 C ATOM 1321 O ASN A 88 13.568 1.988 6.938 1.00 0.00 O ATOM 1322 CB ASN A 88 15.861 0.347 8.314 1.00 0.00 C ATOM 1323 CG ASN A 88 16.283 -0.015 9.713 1.00 0.00 C ATOM 1324 OD1 ASN A 88 16.042 0.726 10.657 1.00 0.00 O ATOM 1325 ND2 ASN A 88 16.984 -1.084 9.850 1.00 0.00 N ATOM 0 H ASN A 88 14.972 -2.058 7.892 1.00 0.00 H new ATOM 0 HA ASN A 88 13.752 0.189 8.773 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.532 -0.151 7.614 1.00 0.00 H new ATOM 0 HB3 ASN A 88 16.001 1.420 8.181 1.00 0.00 H new ATOM 0 HD21 ASN A 88 17.357 -1.335 10.765 1.00 0.00 H new ATOM 0 HD22 ASN A 88 17.167 -1.681 9.043 1.00 0.00 H new ATOM 1332 N THR A 89 14.331 0.369 5.587 1.00 0.00 N ATOM 1333 CA THR A 89 14.076 1.097 4.392 1.00 0.00 C ATOM 1334 C THR A 89 12.553 1.347 4.215 1.00 0.00 C ATOM 1335 O THR A 89 12.116 2.480 4.023 1.00 0.00 O ATOM 1336 CB THR A 89 14.622 0.288 3.230 1.00 0.00 C ATOM 1337 OG1 THR A 89 16.010 0.001 3.454 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.451 1.021 1.946 1.00 0.00 C ATOM 0 H THR A 89 14.729 -0.558 5.438 1.00 0.00 H new ATOM 0 HA THR A 89 14.562 2.071 4.436 1.00 0.00 H new ATOM 0 HB THR A 89 14.065 -0.646 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.361 -0.523 2.704 1.00 0.00 H new ATOM 0 HG21 THR A 89 14.850 0.421 1.128 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.392 1.211 1.774 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.986 1.969 1.994 1.00 0.00 H new ATOM 1346 N LEU A 90 11.772 0.296 4.372 1.00 0.00 N ATOM 1347 CA LEU A 90 10.312 0.365 4.282 1.00 0.00 C ATOM 1348 C LEU A 90 9.744 1.051 5.481 1.00 0.00 C ATOM 1349 O LEU A 90 8.846 1.835 5.366 1.00 0.00 O ATOM 1350 CB LEU A 90 9.750 -1.027 4.209 1.00 0.00 C ATOM 1351 CG LEU A 90 8.462 -1.267 4.978 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.215 -0.843 4.240 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.404 -2.647 5.495 1.00 0.00 C ATOM 0 H LEU A 90 12.127 -0.640 4.567 1.00 0.00 H new ATOM 0 HA LEU A 90 10.046 0.929 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.575 -1.272 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.505 -1.722 4.578 1.00 0.00 H new ATOM 0 HG LEU A 90 8.485 -0.602 5.841 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.340 -1.048 4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.265 0.224 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.138 -1.399 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.472 -2.792 6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.450 -3.350 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.247 -2.821 6.163 1.00 0.00 H new ATOM 1365 N ASN A 91 10.260 0.693 6.625 1.00 0.00 N ATOM 1366 CA ASN A 91 9.872 1.257 7.910 1.00 0.00 C ATOM 1367 C ASN A 91 9.930 2.794 7.838 1.00 0.00 C ATOM 1368 O ASN A 91 9.110 3.486 8.432 1.00 0.00 O ATOM 1369 CB ASN A 91 10.838 0.715 8.969 1.00 0.00 C ATOM 1370 CG ASN A 91 10.370 0.857 10.396 1.00 0.00 C ATOM 1371 OD1 ASN A 91 9.659 1.794 10.762 1.00 0.00 O ATOM 1372 ND2 ASN A 91 10.760 -0.105 11.212 1.00 0.00 N ATOM 0 H ASN A 91 10.985 -0.020 6.702 1.00 0.00 H new ATOM 0 HA ASN A 91 8.851 0.976 8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.020 -0.340 8.766 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.793 1.229 8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.472 -0.092 12.190 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.349 -0.861 10.864 1.00 0.00 H new ATOM 1379 N ASP A 92 10.891 3.307 7.073 1.00 0.00 N ATOM 1380 CA ASP A 92 10.999 4.744 6.808 1.00 0.00 C ATOM 1381 C ASP A 92 9.862 5.180 5.876 1.00 0.00 C ATOM 1382 O ASP A 92 9.181 6.170 6.130 1.00 0.00 O ATOM 1383 CB ASP A 92 12.351 5.062 6.165 1.00 0.00 C ATOM 1384 CG ASP A 92 12.544 6.535 5.866 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.955 7.286 6.788 1.00 0.00 O ATOM 1386 OD2 ASP A 92 12.325 6.954 4.713 1.00 0.00 O ATOM 0 H ASP A 92 11.613 2.745 6.621 1.00 0.00 H new ATOM 0 HA ASP A 92 10.923 5.287 7.750 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.148 4.726 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.447 4.495 5.239 1.00 0.00 H new ATOM 1391 N TRP A 93 9.651 4.400 4.814 1.00 0.00 N ATOM 1392 CA TRP A 93 8.588 4.639 3.838 1.00 0.00 C ATOM 1393 C TRP A 93 7.208 4.625 4.448 1.00 0.00 C ATOM 1394 O TRP A 93 6.353 5.421 4.052 1.00 0.00 O ATOM 1395 CB TRP A 93 8.658 3.655 2.687 1.00 0.00 C ATOM 1396 CG TRP A 93 9.758 3.920 1.707 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.813 3.116 1.422 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.909 5.083 0.881 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.606 3.690 0.465 1.00 0.00 N ATOM 1400 CE2 TRP A 93 11.074 4.902 0.117 1.00 0.00 C ATOM 1401 CE3 TRP A 93 9.168 6.258 0.711 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 11.517 5.846 -0.801 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 9.610 7.195 -0.200 1.00 0.00 C ATOM 1404 CH2 TRP A 93 10.776 6.984 -0.946 1.00 0.00 C ATOM 0 H TRP A 93 10.218 3.578 4.606 1.00 0.00 H new ATOM 0 HA TRP A 93 8.761 5.645 3.456 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.784 2.651 3.092 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.706 3.668 2.157 1.00 0.00 H new ATOM 0 HD1 TRP A 93 11.001 2.158 1.885 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.455 3.281 0.075 1.00 0.00 H new ATOM 0 HE3 TRP A 93 8.267 6.428 1.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 12.415 5.686 -1.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 9.047 8.106 -0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 93 11.096 7.737 -1.651 1.00 0.00 H new ATOM 1415 N GLU A 94 6.989 3.724 5.399 1.00 0.00 N ATOM 1416 CA GLU A 94 5.734 3.634 6.131 1.00 0.00 C ATOM 1417 C GLU A 94 5.365 4.988 6.629 1.00 0.00 C ATOM 1418 O GLU A 94 4.309 5.494 6.344 1.00 0.00 O ATOM 1419 CB GLU A 94 5.883 2.724 7.343 1.00 0.00 C ATOM 1420 CG GLU A 94 6.157 1.269 7.054 1.00 0.00 C ATOM 1421 CD GLU A 94 6.330 0.483 8.335 1.00 0.00 C ATOM 1422 OE1 GLU A 94 5.499 0.664 9.265 1.00 0.00 O ATOM 1423 OE2 GLU A 94 7.269 -0.322 8.442 1.00 0.00 O ATOM 0 H GLU A 94 7.682 3.032 5.684 1.00 0.00 H new ATOM 0 HA GLU A 94 4.973 3.235 5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.693 3.109 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.970 2.790 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.335 0.849 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.056 1.179 6.444 1.00 0.00 H new ATOM 1430 N THR A 95 6.306 5.586 7.282 1.00 0.00 N ATOM 1431 CA THR A 95 6.164 6.871 7.936 1.00 0.00 C ATOM 1432 C THR A 95 5.836 7.988 6.935 1.00 0.00 C ATOM 1433 O THR A 95 5.137 8.945 7.256 1.00 0.00 O ATOM 1434 CB THR A 95 7.488 7.195 8.628 1.00 0.00 C ATOM 1435 OG1 THR A 95 7.830 6.075 9.471 1.00 0.00 O ATOM 1436 CG2 THR A 95 7.372 8.448 9.493 1.00 0.00 C ATOM 0 H THR A 95 7.239 5.186 7.386 1.00 0.00 H new ATOM 0 HA THR A 95 5.342 6.813 8.649 1.00 0.00 H new ATOM 0 HB THR A 95 8.252 7.377 7.872 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.364 5.432 8.960 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.331 8.650 9.971 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.091 9.296 8.869 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.611 8.293 10.258 1.00 0.00 H new ATOM 1444 N LYS A 96 6.286 7.819 5.721 1.00 0.00 N ATOM 1445 CA LYS A 96 6.179 8.842 4.723 1.00 0.00 C ATOM 1446 C LYS A 96 4.772 8.908 4.235 1.00 0.00 C ATOM 1447 O LYS A 96 4.204 9.974 4.070 1.00 0.00 O ATOM 1448 CB LYS A 96 7.149 8.543 3.595 1.00 0.00 C ATOM 1449 CG LYS A 96 8.591 8.487 4.071 1.00 0.00 C ATOM 1450 CD LYS A 96 9.082 9.838 4.527 1.00 0.00 C ATOM 1451 CE LYS A 96 10.523 9.771 4.966 1.00 0.00 C ATOM 1452 NZ LYS A 96 11.020 11.082 5.434 1.00 0.00 N ATOM 0 H LYS A 96 6.738 6.964 5.398 1.00 0.00 H new ATOM 0 HA LYS A 96 6.437 9.814 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.884 7.591 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.053 9.308 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.676 7.774 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.227 8.122 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.979 10.559 3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.464 10.194 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.625 9.038 5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.139 9.425 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.014 10.992 5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.947 11.776 4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.449 11.401 6.242 1.00 0.00 H new ATOM 1466 N PHE A 97 4.216 7.763 4.048 1.00 0.00 N ATOM 1467 CA PHE A 97 2.876 7.618 3.597 1.00 0.00 C ATOM 1468 C PHE A 97 1.881 7.727 4.748 1.00 0.00 C ATOM 1469 O PHE A 97 0.839 8.346 4.619 1.00 0.00 O ATOM 1470 CB PHE A 97 2.736 6.282 2.912 1.00 0.00 C ATOM 1471 CG PHE A 97 3.438 6.177 1.579 1.00 0.00 C ATOM 1472 CD1 PHE A 97 4.800 5.931 1.503 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.727 6.315 0.404 1.00 0.00 C ATOM 1474 CE1 PHE A 97 5.433 5.828 0.285 1.00 0.00 C ATOM 1475 CE2 PHE A 97 3.355 6.213 -0.816 1.00 0.00 C ATOM 1476 CZ PHE A 97 4.711 5.968 -0.876 1.00 0.00 C ATOM 0 H PHE A 97 4.694 6.876 4.209 1.00 0.00 H new ATOM 0 HA PHE A 97 2.652 8.424 2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.125 5.508 3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.676 6.074 2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.372 5.819 2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.665 6.505 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.495 5.637 0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.786 6.325 -1.727 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.204 5.886 -1.833 1.00 0.00 H new ATOM 1486 N GLU A 98 2.236 7.154 5.870 1.00 0.00 N ATOM 1487 CA GLU A 98 1.369 7.071 7.040 1.00 0.00 C ATOM 1488 C GLU A 98 1.092 8.484 7.593 1.00 0.00 C ATOM 1489 O GLU A 98 0.010 8.770 8.069 1.00 0.00 O ATOM 1490 CB GLU A 98 2.070 6.165 8.081 1.00 0.00 C ATOM 1491 CG GLU A 98 1.201 5.474 9.129 1.00 0.00 C ATOM 1492 CD GLU A 98 0.525 6.392 10.104 1.00 0.00 C ATOM 1493 OE1 GLU A 98 1.187 6.812 11.072 1.00 0.00 O ATOM 1494 OE2 GLU A 98 -0.673 6.685 9.941 1.00 0.00 O ATOM 0 H GLU A 98 3.149 6.722 6.008 1.00 0.00 H new ATOM 0 HA GLU A 98 0.401 6.639 6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.616 5.393 7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.809 6.770 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.438 4.889 8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.821 4.771 9.686 1.00 0.00 H new ATOM 1501 N ALA A 99 2.053 9.385 7.444 1.00 0.00 N ATOM 1502 CA ALA A 99 1.925 10.732 7.976 1.00 0.00 C ATOM 1503 C ALA A 99 1.415 11.651 6.920 1.00 0.00 C ATOM 1504 O ALA A 99 1.398 12.879 7.092 1.00 0.00 O ATOM 1505 CB ALA A 99 3.274 11.233 8.384 1.00 0.00 C ATOM 0 H ALA A 99 2.931 9.206 6.958 1.00 0.00 H new ATOM 0 HA ALA A 99 1.240 10.705 8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.182 12.243 8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.690 10.577 9.149 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.935 11.245 7.518 1.00 0.00 H new ATOM 1511 N LYS A 100 1.006 11.095 5.831 1.00 0.00 N ATOM 1512 CA LYS A 100 0.672 11.906 4.726 1.00 0.00 C ATOM 1513 C LYS A 100 -0.689 11.541 4.177 1.00 0.00 C ATOM 1514 O LYS A 100 -1.448 12.405 3.729 1.00 0.00 O ATOM 1515 CB LYS A 100 1.745 11.710 3.681 1.00 0.00 C ATOM 1516 CG LYS A 100 1.801 12.712 2.561 1.00 0.00 C ATOM 1517 CD LYS A 100 2.346 14.083 2.998 1.00 0.00 C ATOM 1518 CE LYS A 100 1.351 14.952 3.778 1.00 0.00 C ATOM 1519 NZ LYS A 100 0.063 15.127 3.053 1.00 0.00 N ATOM 0 H LYS A 100 0.898 10.091 5.689 1.00 0.00 H new ATOM 0 HA LYS A 100 0.620 12.952 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.712 11.711 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.614 10.720 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.428 12.318 1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.801 12.841 2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.231 13.927 3.614 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.667 14.630 2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.159 14.497 4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.795 15.930 3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.434 15.962 3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.251 15.259 2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.529 14.283 3.188 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.985 10.276 4.207 1.00 0.00 N ATOM 1534 CA TYR A 101 -2.222 9.756 3.709 1.00 0.00 C ATOM 1535 C TYR A 101 -2.968 9.106 4.860 1.00 0.00 C ATOM 1536 O TYR A 101 -2.342 8.619 5.815 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.934 8.740 2.596 1.00 0.00 C ATOM 1538 CG TYR A 101 -1.047 9.300 1.503 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -1.541 10.183 0.555 1.00 0.00 C ATOM 1540 CD2 TYR A 101 0.296 8.969 1.449 1.00 0.00 C ATOM 1541 CE1 TYR A 101 -0.717 10.710 -0.418 1.00 0.00 C ATOM 1542 CE2 TYR A 101 1.124 9.493 0.487 1.00 0.00 C ATOM 1543 CZ TYR A 101 0.615 10.362 -0.442 1.00 0.00 C ATOM 1544 OH TYR A 101 1.443 10.893 -1.397 1.00 0.00 O ATOM 0 H TYR A 101 -0.361 9.563 4.586 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.837 10.553 3.291 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.458 7.860 3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.877 8.410 2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.584 10.462 0.579 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.701 8.284 2.179 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.114 11.391 -1.156 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.169 9.222 0.463 1.00 0.00 H new ATOM 0 HH TYR A 101 1.883 10.168 -1.888 1.00 0.00 H new ATOM 1554 N PRO A 102 -4.290 9.128 4.828 1.00 0.00 N ATOM 1555 CA PRO A 102 -5.113 8.571 5.888 1.00 0.00 C ATOM 1556 C PRO A 102 -5.310 7.064 5.760 1.00 0.00 C ATOM 1557 O PRO A 102 -5.439 6.525 4.644 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.445 9.271 5.656 1.00 0.00 C ATOM 1559 CG PRO A 102 -6.516 9.384 4.179 1.00 0.00 C ATOM 1560 CD PRO A 102 -5.121 9.726 3.755 1.00 0.00 C ATOM 0 HA PRO A 102 -4.667 8.719 6.872 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.278 8.694 6.056 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.475 10.249 6.137 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.850 8.450 3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.223 10.156 3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.882 9.306 2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.974 10.804 3.684 1.00 0.00 H new ATOM 1568 N VAL A 103 -5.313 6.396 6.882 1.00 0.00 N ATOM 1569 CA VAL A 103 -5.653 4.993 6.923 1.00 0.00 C ATOM 1570 C VAL A 103 -7.147 4.876 6.717 1.00 0.00 C ATOM 1571 O VAL A 103 -7.940 5.274 7.576 1.00 0.00 O ATOM 1572 CB VAL A 103 -5.272 4.301 8.276 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -5.804 2.876 8.315 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -3.772 4.265 8.465 1.00 0.00 C ATOM 0 H VAL A 103 -5.082 6.802 7.789 1.00 0.00 H new ATOM 0 HA VAL A 103 -5.084 4.488 6.142 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.721 4.885 9.079 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.530 2.411 9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.890 2.890 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.374 2.305 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.536 3.779 9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.316 3.707 7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.382 5.283 8.472 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.532 4.399 5.577 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.945 4.214 5.294 1.00 0.00 C ATOM 1586 C VAL A 104 -9.397 2.824 5.708 1.00 0.00 C ATOM 1587 O VAL A 104 -10.591 2.573 5.947 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.298 4.503 3.814 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -9.111 5.983 3.513 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.420 3.686 2.891 1.00 0.00 C ATOM 0 H VAL A 104 -6.903 4.128 4.822 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.490 4.947 5.889 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.340 4.228 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.362 6.177 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.764 6.571 4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.073 6.263 3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.682 3.901 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.374 3.942 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.571 2.625 3.090 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.437 1.939 5.828 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.707 0.603 6.225 1.00 0.00 C ATOM 1602 C GLY A 105 -7.467 -0.227 6.177 1.00 0.00 C ATOM 1603 O GLY A 105 -6.359 0.284 6.385 1.00 0.00 O ATOM 0 H GLY A 105 -7.452 2.137 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.116 0.595 7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.464 0.171 5.571 1.00 0.00 H new ATOM 1607 N ARG A 106 -7.621 -1.480 5.888 1.00 0.00 N ATOM 1608 CA ARG A 106 -6.495 -2.386 5.819 1.00 0.00 C ATOM 1609 C ARG A 106 -6.760 -3.359 4.749 1.00 0.00 C ATOM 1610 O ARG A 106 -7.911 -3.534 4.327 1.00 0.00 O ATOM 1611 CB ARG A 106 -6.265 -3.207 7.132 1.00 0.00 C ATOM 1612 CG ARG A 106 -7.274 -4.342 7.393 1.00 0.00 C ATOM 1613 CD ARG A 106 -8.649 -3.826 7.511 1.00 0.00 C ATOM 1614 NE ARG A 106 -9.547 -4.809 8.081 1.00 0.00 N ATOM 1615 CZ ARG A 106 -10.240 -4.647 9.206 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -10.076 -3.567 9.968 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -11.066 -5.586 9.578 1.00 0.00 N ATOM 0 H ARG A 106 -8.524 -1.913 5.692 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.609 -1.775 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.263 -3.636 7.100 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.291 -2.520 7.978 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.225 -5.068 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.002 -4.869 8.308 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.649 -2.931 8.133 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.012 -3.530 6.527 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.657 -5.692 7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.410 -2.845 9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.617 -3.462 10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.172 -6.426 9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.606 -5.480 10.437 1.00 0.00 H new ATOM 1631 N VAL A 107 -5.756 -3.987 4.322 1.00 0.00 N ATOM 1632 CA VAL A 107 -5.917 -5.037 3.445 1.00 0.00 C ATOM 1633 C VAL A 107 -5.770 -6.310 4.250 1.00 0.00 C ATOM 1634 O VAL A 107 -4.862 -6.446 5.080 1.00 0.00 O ATOM 1635 CB VAL A 107 -4.945 -4.976 2.261 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.521 -5.103 2.709 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -5.314 -6.010 1.249 1.00 0.00 C ATOM 0 H VAL A 107 -4.790 -3.781 4.577 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.904 -4.991 2.984 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.028 -3.997 1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.861 -5.055 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.281 -4.289 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.383 -6.057 3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.620 -5.962 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.265 -6.999 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.327 -5.825 0.893 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.672 -7.177 4.070 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.724 -8.361 4.806 1.00 0.00 C ATOM 1649 C VAL A 108 -6.559 -9.502 3.819 1.00 0.00 C ATOM 1650 O VAL A 108 -7.078 -9.443 2.693 1.00 0.00 O ATOM 1651 CB VAL A 108 -8.098 -8.431 5.535 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -9.262 -8.912 4.671 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -8.045 -9.079 6.891 1.00 0.00 C ATOM 0 H VAL A 108 -7.420 -7.080 3.383 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.940 -8.416 5.561 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.330 -7.385 5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.175 -8.927 5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.391 -8.236 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.052 -9.917 4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.043 -9.087 7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.684 -10.103 6.791 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.370 -8.518 7.536 1.00 0.00 H new ATOM 1663 N SER A 109 -5.781 -10.454 4.162 1.00 0.00 N ATOM 1664 CA SER A 109 -5.595 -11.598 3.336 1.00 0.00 C ATOM 1665 C SER A 109 -5.370 -12.814 4.220 1.00 0.00 C ATOM 1666 O SER A 109 -6.364 -13.422 4.649 1.00 0.00 O ATOM 1667 CB SER A 109 -4.424 -11.369 2.368 1.00 0.00 C ATOM 1668 OG SER A 109 -4.722 -10.286 1.479 1.00 0.00 O ATOM 1669 OXT SER A 109 -4.206 -13.132 4.537 1.00 0.00 O ATOM 0 H SER A 109 -5.247 -10.469 5.031 1.00 0.00 H new ATOM 0 HA SER A 109 -6.484 -11.772 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.516 -11.149 2.930 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.233 -12.277 1.796 1.00 0.00 H new ATOM 0 HG SER A 109 -5.620 -9.944 1.669 1.00 0.00 H new TER 1675 SER A 109