USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 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 44 THR OG1 : rot -170:sc= 0.0101 USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0.0903 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.236 (180deg=0.158) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0.824 K(o=0.82,f=-0.19) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 9 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 165:sc= -3.03! USER MOD Single : A 41 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.24) USER MOD Single : A 54 SER OG : rot -52:sc= 0.702 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0747 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -150:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.02 K(o=-1,f=-2!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.153 X(o=0.15,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.127 K(o=-0.13,f=-0.96) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -138:sc=-0.00304 (180deg=-0.128) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.0618 F(o=-2.3!,f=-0.062) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot -54:sc= 0.232 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.860 12.595 -16.503 1.00 0.00 N ATOM 2 CA MET A 1 -6.875 11.709 -15.816 1.00 0.00 C ATOM 3 C MET A 1 -6.556 10.489 -16.695 1.00 0.00 C ATOM 4 O MET A 1 -7.080 10.356 -17.786 1.00 0.00 O ATOM 5 CB MET A 1 -7.568 11.271 -14.524 1.00 0.00 C ATOM 6 CG MET A 1 -7.074 12.132 -13.358 1.00 0.00 C ATOM 7 SD MET A 1 -8.008 13.681 -13.314 1.00 0.00 S ATOM 8 CE MET A 1 -6.745 14.684 -12.494 1.00 0.00 C ATOM 0 H1 MET A 1 -8.284 13.245 -15.811 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.377 13.144 -17.242 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.607 12.014 -16.935 1.00 0.00 H new ATOM 0 HA MET A 1 -5.930 12.216 -15.620 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.649 11.368 -14.628 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.360 10.219 -14.326 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.196 11.594 -12.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.010 12.340 -13.471 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.116 15.700 -12.363 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.514 14.253 -11.520 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.843 14.703 -13.105 1.00 0.00 H new ATOM 20 N SER A 2 -5.702 9.597 -16.235 1.00 0.00 N ATOM 21 CA SER A 2 -5.359 8.396 -17.053 1.00 0.00 C ATOM 22 C SER A 2 -5.781 7.114 -16.319 1.00 0.00 C ATOM 23 O SER A 2 -6.546 6.324 -16.840 1.00 0.00 O ATOM 24 CB SER A 2 -3.841 8.447 -17.214 1.00 0.00 C ATOM 25 OG SER A 2 -3.503 9.449 -18.164 1.00 0.00 O ATOM 0 H SER A 2 -5.233 9.654 -15.331 1.00 0.00 H new ATOM 0 HA SER A 2 -5.871 8.393 -18.015 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.369 8.664 -16.256 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.466 7.478 -17.542 1.00 0.00 H new ATOM 0 HG SER A 2 -2.529 9.486 -18.268 1.00 0.00 H new ATOM 31 N GLN A 3 -5.290 6.897 -15.114 1.00 0.00 N ATOM 32 CA GLN A 3 -5.671 5.664 -14.363 1.00 0.00 C ATOM 33 C GLN A 3 -6.036 6.015 -12.911 1.00 0.00 C ATOM 34 O GLN A 3 -5.255 5.796 -12.003 1.00 0.00 O ATOM 35 CB GLN A 3 -4.428 4.774 -14.405 1.00 0.00 C ATOM 36 CG GLN A 3 -4.221 4.251 -15.828 1.00 0.00 C ATOM 37 CD GLN A 3 -5.308 3.221 -16.158 1.00 0.00 C ATOM 38 OE1 GLN A 3 -5.154 2.051 -15.865 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.410 3.601 -16.758 1.00 0.00 N ATOM 0 H GLN A 3 -4.646 7.521 -14.627 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.541 5.170 -14.796 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.553 5.338 -14.083 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.542 3.940 -13.713 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.259 5.076 -16.539 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.235 3.796 -15.920 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.544 4.581 -17.006 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.134 2.916 -16.977 1.00 0.00 H new ATOM 48 N GLU A 4 -7.218 6.552 -12.680 1.00 0.00 N ATOM 49 CA GLU A 4 -7.616 6.902 -11.274 1.00 0.00 C ATOM 50 C GLU A 4 -8.445 5.765 -10.662 1.00 0.00 C ATOM 51 O GLU A 4 -8.271 5.428 -9.506 1.00 0.00 O ATOM 52 CB GLU A 4 -8.449 8.187 -11.372 1.00 0.00 C ATOM 53 CG GLU A 4 -8.329 8.973 -10.065 1.00 0.00 C ATOM 54 CD GLU A 4 -8.365 10.473 -10.365 1.00 0.00 C ATOM 55 OE1 GLU A 4 -9.385 10.936 -10.847 1.00 0.00 O ATOM 56 OE2 GLU A 4 -7.371 11.132 -10.108 1.00 0.00 O ATOM 0 H GLU A 4 -7.915 6.760 -13.395 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.745 7.047 -10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.102 8.795 -12.208 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.493 7.942 -11.567 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.144 8.706 -9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.399 8.715 -9.558 1.00 0.00 H new ATOM 63 N GLN A 5 -9.339 5.159 -11.422 1.00 0.00 N ATOM 64 CA GLN A 5 -10.160 4.027 -10.848 1.00 0.00 C ATOM 65 C GLN A 5 -9.227 2.948 -10.265 1.00 0.00 C ATOM 66 O GLN A 5 -9.505 2.384 -9.224 1.00 0.00 O ATOM 67 CB GLN A 5 -11.023 3.456 -11.995 1.00 0.00 C ATOM 68 CG GLN A 5 -10.134 2.851 -13.090 1.00 0.00 C ATOM 69 CD GLN A 5 -10.967 2.625 -14.358 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.948 1.909 -14.329 1.00 0.00 O ATOM 71 NE2 GLN A 5 -10.620 3.208 -15.480 1.00 0.00 N ATOM 0 H GLN A 5 -9.534 5.392 -12.396 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.802 4.376 -10.039 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.698 2.694 -11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.644 4.246 -12.418 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.299 3.518 -13.305 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.709 1.907 -12.748 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.797 3.810 -15.509 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.173 3.060 -16.324 1.00 0.00 H new ATOM 80 N TYR A 6 -8.104 2.691 -10.905 1.00 0.00 N ATOM 81 CA TYR A 6 -7.144 1.681 -10.340 1.00 0.00 C ATOM 82 C TYR A 6 -6.424 2.303 -9.134 1.00 0.00 C ATOM 83 O TYR A 6 -6.142 1.630 -8.162 1.00 0.00 O ATOM 84 CB TYR A 6 -6.134 1.351 -11.452 1.00 0.00 C ATOM 85 CG TYR A 6 -6.784 0.462 -12.483 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.530 1.027 -13.525 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.639 -0.928 -12.400 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.131 0.202 -14.482 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.240 -1.753 -13.357 1.00 0.00 C ATOM 90 CZ TYR A 6 -7.986 -1.188 -14.399 1.00 0.00 C ATOM 91 OH TYR A 6 -8.578 -2.002 -15.343 1.00 0.00 O ATOM 0 H TYR A 6 -7.815 3.129 -11.780 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.655 0.776 -10.011 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.782 2.270 -11.921 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.261 0.854 -11.028 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.641 2.099 -13.590 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.063 -1.364 -11.597 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.707 0.638 -15.285 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.129 -2.825 -13.292 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.378 -2.939 -15.139 1.00 0.00 H new ATOM 101 N THR A 7 -6.135 3.591 -9.183 1.00 0.00 N ATOM 102 CA THR A 7 -5.445 4.249 -8.020 1.00 0.00 C ATOM 103 C THR A 7 -6.395 4.285 -6.812 1.00 0.00 C ATOM 104 O THR A 7 -5.981 4.045 -5.693 1.00 0.00 O ATOM 105 CB THR A 7 -5.088 5.679 -8.484 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.108 5.608 -9.512 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.535 6.512 -7.320 1.00 0.00 C ATOM 0 H THR A 7 -6.345 4.206 -9.969 1.00 0.00 H new ATOM 0 HA THR A 7 -4.549 3.708 -7.715 1.00 0.00 H new ATOM 0 HB THR A 7 -5.994 6.158 -8.856 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.552 5.579 -10.385 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.292 7.514 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.284 6.577 -6.531 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.636 6.037 -6.928 1.00 0.00 H new ATOM 115 N GLU A 8 -7.661 4.578 -7.024 1.00 0.00 N ATOM 116 CA GLU A 8 -8.613 4.617 -5.858 1.00 0.00 C ATOM 117 C GLU A 8 -8.794 3.206 -5.292 1.00 0.00 C ATOM 118 O GLU A 8 -8.832 3.022 -4.089 1.00 0.00 O ATOM 119 CB GLU A 8 -9.950 5.163 -6.384 1.00 0.00 C ATOM 120 CG GLU A 8 -9.792 6.642 -6.741 1.00 0.00 C ATOM 121 CD GLU A 8 -11.150 7.340 -6.639 1.00 0.00 C ATOM 122 OE1 GLU A 8 -11.975 7.118 -7.510 1.00 0.00 O ATOM 123 OE2 GLU A 8 -11.341 8.085 -5.692 1.00 0.00 O ATOM 0 H GLU A 8 -8.071 4.788 -7.934 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.232 5.251 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.266 4.598 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.727 5.041 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.077 7.115 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.394 6.743 -7.751 1.00 0.00 H new ATOM 130 N ASN A 9 -8.879 2.203 -6.139 1.00 0.00 N ATOM 131 CA ASN A 9 -9.026 0.804 -5.609 1.00 0.00 C ATOM 132 C ASN A 9 -7.661 0.315 -5.113 1.00 0.00 C ATOM 133 O ASN A 9 -7.565 -0.311 -4.074 1.00 0.00 O ATOM 134 CB ASN A 9 -9.528 -0.066 -6.771 1.00 0.00 C ATOM 135 CG ASN A 9 -10.954 0.358 -7.147 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.163 1.458 -7.618 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.953 -0.469 -6.960 1.00 0.00 N ATOM 0 H ASN A 9 -8.854 2.288 -7.155 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.728 0.756 -4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.867 0.040 -7.631 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.513 -1.118 -6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.901 -0.188 -7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.782 -1.394 -6.565 1.00 0.00 H new ATOM 144 N LEU A 10 -6.598 0.621 -5.830 1.00 0.00 N ATOM 145 CA LEU A 10 -5.240 0.188 -5.359 1.00 0.00 C ATOM 146 C LEU A 10 -4.878 0.949 -4.075 1.00 0.00 C ATOM 147 O LEU A 10 -4.257 0.398 -3.185 1.00 0.00 O ATOM 148 CB LEU A 10 -4.243 0.522 -6.482 1.00 0.00 C ATOM 149 CG LEU A 10 -2.852 0.002 -6.108 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.884 -1.524 -5.991 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.849 0.407 -7.192 1.00 0.00 C ATOM 0 H LEU A 10 -6.612 1.143 -6.706 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.218 -0.879 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.571 0.071 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.208 1.600 -6.642 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.553 0.431 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.892 -1.889 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.597 -1.815 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.186 -1.956 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.858 0.038 -6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.153 -0.021 -8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.821 1.494 -7.274 1.00 0.00 H new ATOM 163 N LYS A 11 -5.270 2.207 -3.957 1.00 0.00 N ATOM 164 CA LYS A 11 -4.939 2.970 -2.699 1.00 0.00 C ATOM 165 C LYS A 11 -5.539 2.257 -1.475 1.00 0.00 C ATOM 166 O LYS A 11 -4.948 2.257 -0.411 1.00 0.00 O ATOM 167 CB LYS A 11 -5.550 4.372 -2.848 1.00 0.00 C ATOM 168 CG LYS A 11 -5.161 5.231 -1.643 1.00 0.00 C ATOM 169 CD LYS A 11 -6.296 6.204 -1.320 1.00 0.00 C ATOM 170 CE LYS A 11 -5.751 7.370 -0.492 1.00 0.00 C ATOM 171 NZ LYS A 11 -6.823 7.676 0.495 1.00 0.00 N ATOM 0 H LYS A 11 -5.793 2.727 -4.661 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.860 3.031 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.198 4.838 -3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.635 4.301 -2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.957 4.596 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.245 5.782 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.743 6.577 -2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.084 5.690 -0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.821 7.099 0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.535 8.234 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.522 8.467 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.694 7.938 -0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.002 6.838 1.084 1.00 0.00 H new ATOM 185 N VAL A 12 -6.698 1.641 -1.612 1.00 0.00 N ATOM 186 CA VAL A 12 -7.296 0.926 -0.430 1.00 0.00 C ATOM 187 C VAL A 12 -6.458 -0.319 -0.115 1.00 0.00 C ATOM 188 O VAL A 12 -6.089 -0.551 1.022 1.00 0.00 O ATOM 189 CB VAL A 12 -8.727 0.527 -0.831 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.396 -0.225 0.321 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.535 1.786 -1.153 1.00 0.00 C ATOM 0 H VAL A 12 -7.245 1.603 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.311 1.557 0.459 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.688 -0.118 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.409 -0.506 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.822 -1.123 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.434 0.417 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.549 1.505 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.570 2.430 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.062 2.321 -1.977 1.00 0.00 H new ATOM 201 N ILE A 13 -6.146 -1.116 -1.113 1.00 0.00 N ATOM 202 CA ILE A 13 -5.314 -2.342 -0.850 1.00 0.00 C ATOM 203 C ILE A 13 -3.917 -1.924 -0.361 1.00 0.00 C ATOM 204 O ILE A 13 -3.353 -2.559 0.511 1.00 0.00 O ATOM 205 CB ILE A 13 -5.224 -3.111 -2.182 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.641 -3.495 -2.642 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.387 -4.379 -1.990 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.794 -3.230 -4.143 1.00 0.00 C ATOM 0 H ILE A 13 -6.425 -0.976 -2.084 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.757 -2.971 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.752 -2.480 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.829 -4.547 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.381 -2.920 -2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.325 -4.921 -2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.384 -4.107 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.855 -5.014 -1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.800 -3.505 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.626 -2.172 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.065 -3.825 -4.694 1.00 0.00 H new ATOM 220 N VAL A 14 -3.360 -0.855 -0.896 1.00 0.00 N ATOM 221 CA VAL A 14 -2.001 -0.411 -0.420 1.00 0.00 C ATOM 222 C VAL A 14 -2.096 0.007 1.057 1.00 0.00 C ATOM 223 O VAL A 14 -1.227 -0.309 1.848 1.00 0.00 O ATOM 224 CB VAL A 14 -1.588 0.787 -1.294 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.202 1.282 -0.868 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.550 0.359 -2.767 1.00 0.00 C ATOM 0 H VAL A 14 -3.778 -0.280 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.265 -1.211 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.313 1.592 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.088 2.130 -1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.231 1.590 0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.524 0.479 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.258 1.208 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.828 -0.448 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.538 0.012 -3.071 1.00 0.00 H new ATOM 236 N ALA A 15 -3.151 0.702 1.440 1.00 0.00 N ATOM 237 CA ALA A 15 -3.286 1.114 2.884 1.00 0.00 C ATOM 238 C ALA A 15 -3.449 -0.130 3.779 1.00 0.00 C ATOM 239 O ALA A 15 -3.001 -0.140 4.910 1.00 0.00 O ATOM 240 CB ALA A 15 -4.538 2.001 2.979 1.00 0.00 C ATOM 0 H ALA A 15 -3.911 0.997 0.828 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.399 1.651 3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.677 2.325 4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.415 2.874 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.411 1.434 2.656 1.00 0.00 H new ATOM 246 N GLU A 16 -4.084 -1.183 3.289 1.00 0.00 N ATOM 247 CA GLU A 16 -4.260 -2.421 4.139 1.00 0.00 C ATOM 248 C GLU A 16 -2.904 -2.897 4.689 1.00 0.00 C ATOM 249 O GLU A 16 -2.822 -3.372 5.806 1.00 0.00 O ATOM 250 CB GLU A 16 -4.858 -3.501 3.223 1.00 0.00 C ATOM 251 CG GLU A 16 -5.218 -4.735 4.053 1.00 0.00 C ATOM 252 CD GLU A 16 -5.165 -5.981 3.167 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.506 -5.870 2.001 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.784 -7.025 3.670 1.00 0.00 O ATOM 0 H GLU A 16 -4.482 -1.239 2.352 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.908 -2.215 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.746 -3.116 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.143 -3.769 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.525 -4.840 4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.215 -4.621 4.479 1.00 0.00 H new ATOM 261 N LYS A 17 -1.839 -2.769 3.921 1.00 0.00 N ATOM 262 CA LYS A 17 -0.497 -3.217 4.436 1.00 0.00 C ATOM 263 C LYS A 17 0.156 -2.081 5.236 1.00 0.00 C ATOM 264 O LYS A 17 0.712 -2.310 6.293 1.00 0.00 O ATOM 265 CB LYS A 17 0.360 -3.574 3.208 1.00 0.00 C ATOM 266 CG LYS A 17 0.388 -5.095 3.028 1.00 0.00 C ATOM 267 CD LYS A 17 1.646 -5.666 3.687 1.00 0.00 C ATOM 268 CE LYS A 17 1.349 -5.998 5.151 1.00 0.00 C ATOM 269 NZ LYS A 17 2.207 -7.175 5.460 1.00 0.00 N ATOM 0 H LYS A 17 -1.840 -2.381 2.978 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.594 -4.078 5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.049 -3.099 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.373 -3.194 3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.502 -5.541 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.375 -5.346 1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.972 -6.562 3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.461 -4.945 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.584 -5.156 5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.294 -6.229 5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.059 -7.462 6.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.956 -7.963 4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.206 -6.923 5.319 1.00 0.00 H new ATOM 283 N LEU A 18 0.085 -0.855 4.752 1.00 0.00 N ATOM 284 CA LEU A 18 0.705 0.281 5.524 1.00 0.00 C ATOM 285 C LEU A 18 -0.014 0.428 6.872 1.00 0.00 C ATOM 286 O LEU A 18 0.619 0.516 7.908 1.00 0.00 O ATOM 287 CB LEU A 18 0.513 1.552 4.682 1.00 0.00 C ATOM 288 CG LEU A 18 1.338 1.455 3.401 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.901 2.555 2.430 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.821 1.631 3.736 1.00 0.00 C ATOM 0 H LEU A 18 -0.366 -0.595 3.874 1.00 0.00 H new ATOM 0 HA LEU A 18 1.763 0.103 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.541 1.681 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.817 2.428 5.255 1.00 0.00 H new ATOM 0 HG LEU A 18 1.182 0.480 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.489 2.487 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.156 2.432 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.058 3.530 2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.411 1.562 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.977 2.607 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.133 0.850 4.429 1.00 0.00 H new ATOM 302 N ALA A 19 -1.332 0.441 6.871 1.00 0.00 N ATOM 303 CA ALA A 19 -2.078 0.566 8.174 1.00 0.00 C ATOM 304 C ALA A 19 -1.825 -0.676 9.052 1.00 0.00 C ATOM 305 O ALA A 19 -1.855 -0.590 10.266 1.00 0.00 O ATOM 306 CB ALA A 19 -3.572 0.667 7.823 1.00 0.00 C ATOM 0 H ALA A 19 -1.917 0.372 6.038 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.746 1.442 8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.156 0.760 8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.740 1.542 7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.881 -0.229 7.285 1.00 0.00 H new ATOM 312 N GLY A 20 -1.582 -1.834 8.457 1.00 0.00 N ATOM 313 CA GLY A 20 -1.341 -3.061 9.273 1.00 0.00 C ATOM 314 C GLY A 20 0.070 -3.033 9.886 1.00 0.00 C ATOM 315 O GLY A 20 0.270 -3.504 10.990 1.00 0.00 O ATOM 0 H GLY A 20 -1.543 -1.971 7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.087 -3.130 10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.455 -3.948 8.649 1.00 0.00 H new ATOM 319 N ILE A 21 1.059 -2.495 9.188 1.00 0.00 N ATOM 320 CA ILE A 21 2.458 -2.465 9.769 1.00 0.00 C ATOM 321 C ILE A 21 2.432 -1.829 11.182 1.00 0.00 C ATOM 322 O ILE A 21 1.839 -0.785 11.369 1.00 0.00 O ATOM 323 CB ILE A 21 3.313 -1.624 8.792 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.468 -2.392 7.474 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.706 -1.363 9.379 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.640 -1.409 6.311 1.00 0.00 C ATOM 0 H ILE A 21 0.963 -2.083 8.260 1.00 0.00 H new ATOM 0 HA ILE A 21 2.873 -3.467 9.880 1.00 0.00 H new ATOM 0 HB ILE A 21 2.815 -0.669 8.623 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.330 -3.056 7.530 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.593 -3.019 7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.292 -0.770 8.676 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.609 -0.820 10.319 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.209 -2.313 9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.749 -1.964 5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.764 -0.763 6.248 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.529 -0.800 6.477 1.00 0.00 H new ATOM 338 N PRO A 22 3.069 -2.481 12.140 1.00 0.00 N ATOM 339 CA PRO A 22 3.089 -1.951 13.532 1.00 0.00 C ATOM 340 C PRO A 22 3.929 -0.663 13.652 1.00 0.00 C ATOM 341 O PRO A 22 3.728 0.114 14.567 1.00 0.00 O ATOM 342 CB PRO A 22 3.716 -3.084 14.342 1.00 0.00 C ATOM 343 CG PRO A 22 4.529 -3.855 13.357 1.00 0.00 C ATOM 344 CD PRO A 22 3.822 -3.745 12.034 1.00 0.00 C ATOM 0 HA PRO A 22 2.093 -1.673 13.877 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.337 -2.696 15.149 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.952 -3.711 14.801 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.540 -3.453 13.290 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.620 -4.898 13.662 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.528 -3.721 11.204 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.158 -4.593 11.864 1.00 0.00 H new ATOM 352 N ASN A 23 4.859 -0.415 12.748 1.00 0.00 N ATOM 353 CA ASN A 23 5.677 0.837 12.847 1.00 0.00 C ATOM 354 C ASN A 23 5.193 1.877 11.821 1.00 0.00 C ATOM 355 O ASN A 23 5.976 2.658 11.314 1.00 0.00 O ATOM 356 CB ASN A 23 7.120 0.416 12.544 1.00 0.00 C ATOM 357 CG ASN A 23 7.781 -0.103 13.827 1.00 0.00 C ATOM 358 OD1 ASN A 23 8.356 0.663 14.575 1.00 0.00 O ATOM 359 ND2 ASN A 23 7.728 -1.380 14.120 1.00 0.00 N ATOM 0 H ASN A 23 5.081 -1.020 11.957 1.00 0.00 H new ATOM 0 HA ASN A 23 5.591 1.297 13.832 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.131 -0.359 11.777 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.682 1.263 12.149 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.168 -1.726 14.972 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.247 -2.027 13.495 1.00 0.00 H new ATOM 366 N PHE A 24 3.909 1.901 11.511 1.00 0.00 N ATOM 367 CA PHE A 24 3.393 2.898 10.526 1.00 0.00 C ATOM 368 C PHE A 24 2.152 3.601 11.104 1.00 0.00 C ATOM 369 O PHE A 24 1.031 3.249 10.786 1.00 0.00 O ATOM 370 CB PHE A 24 3.031 2.077 9.279 1.00 0.00 C ATOM 371 CG PHE A 24 3.663 2.699 8.055 1.00 0.00 C ATOM 372 CD1 PHE A 24 3.298 3.991 7.659 1.00 0.00 C ATOM 373 CD2 PHE A 24 4.613 1.982 7.317 1.00 0.00 C ATOM 374 CE1 PHE A 24 3.883 4.567 6.525 1.00 0.00 C ATOM 375 CE2 PHE A 24 5.198 2.558 6.183 1.00 0.00 C ATOM 376 CZ PHE A 24 4.833 3.850 5.787 1.00 0.00 C ATOM 0 H PHE A 24 3.206 1.273 11.900 1.00 0.00 H new ATOM 0 HA PHE A 24 4.120 3.676 10.293 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.377 1.050 9.396 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.948 2.037 9.160 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.565 4.543 8.228 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.894 0.985 7.623 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.602 5.564 6.219 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.931 2.006 5.614 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.284 4.294 4.912 1.00 0.00 H new ATOM 386 N ASN A 25 2.339 4.589 11.957 1.00 0.00 N ATOM 387 CA ASN A 25 1.157 5.299 12.551 1.00 0.00 C ATOM 388 C ASN A 25 0.898 6.630 11.824 1.00 0.00 C ATOM 389 O ASN A 25 -0.238 6.978 11.559 1.00 0.00 O ATOM 390 CB ASN A 25 1.517 5.555 14.020 1.00 0.00 C ATOM 391 CG ASN A 25 1.115 4.340 14.865 1.00 0.00 C ATOM 392 OD1 ASN A 25 -0.004 4.260 15.333 1.00 0.00 O ATOM 393 ND2 ASN A 25 1.981 3.381 15.086 1.00 0.00 N ATOM 0 H ASN A 25 3.250 4.930 12.263 1.00 0.00 H new ATOM 0 HA ASN A 25 0.249 4.704 12.456 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.587 5.740 14.116 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.005 6.447 14.381 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.714 2.573 15.648 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.921 3.443 14.696 1.00 0.00 H new ATOM 400 N GLU A 26 1.933 7.379 11.496 1.00 0.00 N ATOM 401 CA GLU A 26 1.716 8.680 10.786 1.00 0.00 C ATOM 402 C GLU A 26 2.105 8.549 9.306 1.00 0.00 C ATOM 403 O GLU A 26 2.824 7.643 8.930 1.00 0.00 O ATOM 404 CB GLU A 26 2.624 9.693 11.493 1.00 0.00 C ATOM 405 CG GLU A 26 1.926 11.053 11.553 1.00 0.00 C ATOM 406 CD GLU A 26 2.542 11.894 12.672 1.00 0.00 C ATOM 407 OE1 GLU A 26 2.245 11.621 13.824 1.00 0.00 O ATOM 408 OE2 GLU A 26 3.300 12.797 12.359 1.00 0.00 O ATOM 0 H GLU A 26 2.907 7.145 11.689 1.00 0.00 H new ATOM 0 HA GLU A 26 0.671 8.989 10.816 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.856 9.347 12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.571 9.782 10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.028 11.568 10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.859 10.918 11.730 1.00 0.00 H new ATOM 415 N ASP A 27 1.636 9.445 8.456 1.00 0.00 N ATOM 416 CA ASP A 27 1.980 9.369 6.997 1.00 0.00 C ATOM 417 C ASP A 27 1.647 7.978 6.428 1.00 0.00 C ATOM 418 O ASP A 27 2.431 7.405 5.697 1.00 0.00 O ATOM 419 CB ASP A 27 3.486 9.635 6.916 1.00 0.00 C ATOM 420 CG ASP A 27 3.735 11.143 6.837 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.442 11.823 7.806 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.216 11.591 5.809 1.00 0.00 O ATOM 0 H ASP A 27 1.030 10.224 8.714 1.00 0.00 H new ATOM 0 HA ASP A 27 1.409 10.091 6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.987 9.218 7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.907 9.140 6.041 1.00 0.00 H new ATOM 427 N ILE A 28 0.492 7.430 6.754 1.00 0.00 N ATOM 428 CA ILE A 28 0.130 6.077 6.216 1.00 0.00 C ATOM 429 C ILE A 28 -0.812 6.218 5.003 1.00 0.00 C ATOM 430 O ILE A 28 -0.670 5.504 4.029 1.00 0.00 O ATOM 431 CB ILE A 28 -0.516 5.312 7.400 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.570 3.802 7.097 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.927 5.832 7.707 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.509 3.504 5.916 1.00 0.00 C ATOM 0 H ILE A 28 -0.206 7.858 7.362 1.00 0.00 H new ATOM 0 HA ILE A 28 0.995 5.527 5.847 1.00 0.00 H new ATOM 0 HB ILE A 28 0.106 5.483 8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.432 3.438 6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.911 3.263 7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.347 5.272 8.542 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.876 6.889 7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.561 5.705 6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.526 2.431 5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.516 3.846 6.156 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.152 4.024 5.027 1.00 0.00 H new ATOM 446 N LYS A 29 -1.750 7.138 5.036 1.00 0.00 N ATOM 447 CA LYS A 29 -2.659 7.304 3.848 1.00 0.00 C ATOM 448 C LYS A 29 -1.913 8.059 2.739 1.00 0.00 C ATOM 449 O LYS A 29 -2.059 7.746 1.572 1.00 0.00 O ATOM 450 CB LYS A 29 -3.877 8.110 4.327 1.00 0.00 C ATOM 451 CG LYS A 29 -4.665 7.286 5.348 1.00 0.00 C ATOM 452 CD LYS A 29 -5.886 8.081 5.813 1.00 0.00 C ATOM 453 CE LYS A 29 -5.473 9.052 6.922 1.00 0.00 C ATOM 454 NZ LYS A 29 -6.330 10.253 6.719 1.00 0.00 N ATOM 0 H LYS A 29 -1.926 7.771 5.816 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.975 6.341 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.552 9.049 4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.514 8.365 3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.980 6.342 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.031 7.041 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.315 8.631 4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.657 7.403 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.632 8.616 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.415 9.305 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.106 10.966 7.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.153 10.650 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.331 9.983 6.798 1.00 0.00 H new ATOM 468 N TYR A 30 -1.098 9.036 3.088 1.00 0.00 N ATOM 469 CA TYR A 30 -0.335 9.779 2.026 1.00 0.00 C ATOM 470 C TYR A 30 0.770 8.887 1.436 1.00 0.00 C ATOM 471 O TYR A 30 1.124 9.035 0.281 1.00 0.00 O ATOM 472 CB TYR A 30 0.280 11.016 2.700 1.00 0.00 C ATOM 473 CG TYR A 30 -0.817 11.864 3.295 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.695 12.563 2.457 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.958 11.953 4.685 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.713 13.350 3.010 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.976 12.740 5.238 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.853 13.438 4.400 1.00 0.00 C ATOM 479 OH TYR A 30 -3.856 14.214 4.944 1.00 0.00 O ATOM 0 H TYR A 30 -0.931 9.346 4.045 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.993 10.069 1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.979 10.709 3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.847 11.595 1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.587 12.495 1.385 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.281 11.414 5.332 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.390 13.889 2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.084 12.808 6.310 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.814 14.165 5.922 1.00 0.00 H new ATOM 489 N VAL A 31 1.320 7.957 2.202 1.00 0.00 N ATOM 490 CA VAL A 31 2.397 7.078 1.625 1.00 0.00 C ATOM 491 C VAL A 31 1.801 6.073 0.613 1.00 0.00 C ATOM 492 O VAL A 31 2.482 5.655 -0.305 1.00 0.00 O ATOM 493 CB VAL A 31 3.099 6.376 2.821 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.284 5.174 3.331 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.499 5.905 2.387 1.00 0.00 C ATOM 0 H VAL A 31 1.075 7.775 3.175 1.00 0.00 H new ATOM 0 HA VAL A 31 3.128 7.661 1.064 1.00 0.00 H new ATOM 0 HB VAL A 31 3.180 7.095 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.806 4.709 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.302 5.514 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.166 4.447 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.993 5.412 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.406 5.204 1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.090 6.764 2.071 1.00 0.00 H new ATOM 505 N ALA A 32 0.540 5.697 0.749 1.00 0.00 N ATOM 506 CA ALA A 32 -0.054 4.737 -0.250 1.00 0.00 C ATOM 507 C ALA A 32 -0.231 5.443 -1.604 1.00 0.00 C ATOM 508 O ALA A 32 -0.052 4.837 -2.644 1.00 0.00 O ATOM 509 CB ALA A 32 -1.418 4.298 0.308 1.00 0.00 C ATOM 0 H ALA A 32 -0.089 6.006 1.490 1.00 0.00 H new ATOM 0 HA ALA A 32 0.594 3.874 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.887 3.599 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.277 3.812 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.059 5.171 0.432 1.00 0.00 H new ATOM 515 N GLU A 33 -0.574 6.720 -1.609 1.00 0.00 N ATOM 516 CA GLU A 33 -0.747 7.439 -2.924 1.00 0.00 C ATOM 517 C GLU A 33 0.565 7.389 -3.716 1.00 0.00 C ATOM 518 O GLU A 33 0.569 7.077 -4.893 1.00 0.00 O ATOM 519 CB GLU A 33 -1.114 8.896 -2.595 1.00 0.00 C ATOM 520 CG GLU A 33 -2.597 8.978 -2.227 1.00 0.00 C ATOM 521 CD GLU A 33 -3.039 10.443 -2.214 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.789 11.125 -3.194 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.619 10.857 -1.224 1.00 0.00 O ATOM 0 H GLU A 33 -0.739 7.285 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.525 6.973 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.503 9.258 -1.769 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.905 9.537 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.193 8.414 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.765 8.527 -1.249 1.00 0.00 H new ATOM 530 N TYR A 34 1.682 7.670 -3.079 1.00 0.00 N ATOM 531 CA TYR A 34 2.992 7.603 -3.821 1.00 0.00 C ATOM 532 C TYR A 34 3.240 6.153 -4.263 1.00 0.00 C ATOM 533 O TYR A 34 3.701 5.908 -5.362 1.00 0.00 O ATOM 534 CB TYR A 34 4.088 8.075 -2.841 1.00 0.00 C ATOM 535 CG TYR A 34 5.484 7.924 -3.438 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.693 7.927 -4.832 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.580 7.792 -2.576 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.989 7.798 -5.347 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.873 7.661 -3.095 1.00 0.00 C ATOM 540 CZ TYR A 34 8.077 7.665 -4.478 1.00 0.00 C ATOM 541 OH TYR A 34 9.354 7.541 -4.987 1.00 0.00 O ATOM 0 H TYR A 34 1.746 7.938 -2.097 1.00 0.00 H new ATOM 0 HA TYR A 34 2.990 8.233 -4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.916 9.119 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.023 7.499 -1.918 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.853 8.029 -5.503 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.427 7.791 -1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.148 7.801 -6.415 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.714 7.557 -2.426 1.00 0.00 H new ATOM 0 HH TYR A 34 10.007 7.699 -4.274 1.00 0.00 H new ATOM 551 N ILE A 35 2.918 5.188 -3.424 1.00 0.00 N ATOM 552 CA ILE A 35 3.122 3.750 -3.824 1.00 0.00 C ATOM 553 C ILE A 35 2.279 3.459 -5.077 1.00 0.00 C ATOM 554 O ILE A 35 2.775 2.911 -6.044 1.00 0.00 O ATOM 555 CB ILE A 35 2.669 2.901 -2.616 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.663 3.109 -1.471 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.626 1.414 -2.979 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.120 2.480 -0.188 1.00 0.00 C ATOM 0 H ILE A 35 2.528 5.330 -2.492 1.00 0.00 H new ATOM 0 HA ILE A 35 4.159 3.521 -4.071 1.00 0.00 H new ATOM 0 HB ILE A 35 1.668 3.213 -2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.624 2.662 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.837 4.174 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.304 0.837 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.924 1.260 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.619 1.085 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.833 2.632 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.170 2.947 0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.969 1.412 -0.342 1.00 0.00 H new ATOM 570 N VAL A 36 1.021 3.850 -5.083 1.00 0.00 N ATOM 571 CA VAL A 36 0.179 3.613 -6.310 1.00 0.00 C ATOM 572 C VAL A 36 0.776 4.405 -7.483 1.00 0.00 C ATOM 573 O VAL A 36 0.844 3.913 -8.594 1.00 0.00 O ATOM 574 CB VAL A 36 -1.242 4.111 -5.990 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.150 3.914 -7.213 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.799 3.317 -4.803 1.00 0.00 C ATOM 0 H VAL A 36 0.547 4.314 -4.308 1.00 0.00 H new ATOM 0 HA VAL A 36 0.153 2.558 -6.584 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.208 5.171 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.155 4.268 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.752 4.478 -8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.189 2.856 -7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.806 3.666 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.832 2.258 -5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.157 3.462 -3.935 1.00 0.00 H new ATOM 586 N LEU A 37 1.230 5.625 -7.245 1.00 0.00 N ATOM 587 CA LEU A 37 1.847 6.425 -8.368 1.00 0.00 C ATOM 588 C LEU A 37 3.005 5.621 -8.976 1.00 0.00 C ATOM 589 O LEU A 37 3.133 5.528 -10.183 1.00 0.00 O ATOM 590 CB LEU A 37 2.374 7.732 -7.752 1.00 0.00 C ATOM 591 CG LEU A 37 2.342 8.840 -8.805 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.973 9.523 -8.788 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.429 9.871 -8.491 1.00 0.00 C ATOM 0 H LEU A 37 1.201 6.093 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 37 1.123 6.639 -9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.764 8.014 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.392 7.591 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 37 2.520 8.410 -9.790 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.951 10.313 -9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.198 8.790 -9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.794 9.954 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.408 10.662 -9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.249 10.300 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.405 9.386 -8.503 1.00 0.00 H new ATOM 605 N LEU A 38 3.828 5.005 -8.147 1.00 0.00 N ATOM 606 CA LEU A 38 4.948 4.171 -8.703 1.00 0.00 C ATOM 607 C LEU A 38 4.339 2.964 -9.436 1.00 0.00 C ATOM 608 O LEU A 38 4.780 2.591 -10.506 1.00 0.00 O ATOM 609 CB LEU A 38 5.792 3.692 -7.509 1.00 0.00 C ATOM 610 CG LEU A 38 6.440 4.892 -6.818 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.922 4.478 -5.425 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.632 5.374 -7.647 1.00 0.00 C ATOM 0 H LEU A 38 3.773 5.043 -7.129 1.00 0.00 H new ATOM 0 HA LEU A 38 5.566 4.736 -9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.164 3.149 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.561 2.998 -7.850 1.00 0.00 H new ATOM 0 HG LEU A 38 5.711 5.697 -6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.384 5.333 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.074 4.133 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.652 3.674 -5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.095 6.230 -7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.361 4.569 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.290 5.667 -8.640 1.00 0.00 H new ATOM 624 N ILE A 39 3.312 2.362 -8.867 1.00 0.00 N ATOM 625 CA ILE A 39 2.655 1.183 -9.539 1.00 0.00 C ATOM 626 C ILE A 39 2.053 1.638 -10.878 1.00 0.00 C ATOM 627 O ILE A 39 2.223 0.984 -11.891 1.00 0.00 O ATOM 628 CB ILE A 39 1.549 0.702 -8.570 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.197 0.133 -7.293 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.662 -0.367 -9.231 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.928 -1.180 -7.596 1.00 0.00 C ATOM 0 H ILE A 39 2.903 2.633 -7.973 1.00 0.00 H new ATOM 0 HA ILE A 39 3.359 0.378 -9.750 1.00 0.00 H new ATOM 0 HB ILE A 39 0.918 1.553 -8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.898 0.859 -6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.432 -0.037 -6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.107 -0.687 -8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.189 0.051 -10.120 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.274 -1.223 -9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.378 -1.565 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.219 -1.910 -7.986 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.707 -1.000 -8.336 1.00 0.00 H new ATOM 643 N VAL A 40 1.362 2.756 -10.893 1.00 0.00 N ATOM 644 CA VAL A 40 0.765 3.245 -12.189 1.00 0.00 C ATOM 645 C VAL A 40 1.888 3.518 -13.203 1.00 0.00 C ATOM 646 O VAL A 40 1.738 3.255 -14.382 1.00 0.00 O ATOM 647 CB VAL A 40 -0.002 4.543 -11.868 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.626 5.107 -13.148 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.111 4.246 -10.850 1.00 0.00 C ATOM 0 H VAL A 40 1.185 3.346 -10.080 1.00 0.00 H new ATOM 0 HA VAL A 40 0.095 2.504 -12.624 1.00 0.00 H new ATOM 0 HB VAL A 40 0.691 5.274 -11.451 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.167 6.024 -12.915 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.160 5.323 -13.872 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.316 4.376 -13.569 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.653 5.164 -10.624 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.800 3.512 -11.267 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.669 3.851 -9.935 1.00 0.00 H new ATOM 659 N ASN A 41 3.014 4.042 -12.759 1.00 0.00 N ATOM 660 CA ASN A 41 4.141 4.323 -13.721 1.00 0.00 C ATOM 661 C ASN A 41 4.553 3.039 -14.458 1.00 0.00 C ATOM 662 O ASN A 41 4.876 3.077 -15.631 1.00 0.00 O ATOM 663 CB ASN A 41 5.318 4.853 -12.886 1.00 0.00 C ATOM 664 CG ASN A 41 5.187 6.372 -12.722 1.00 0.00 C ATOM 665 OD1 ASN A 41 5.288 7.105 -13.686 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.966 6.886 -11.536 1.00 0.00 N ATOM 0 H ASN A 41 3.201 4.285 -11.786 1.00 0.00 H new ATOM 0 HA ASN A 41 3.834 5.049 -14.473 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.330 4.371 -11.908 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.262 4.609 -13.373 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.880 7.896 -11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.880 6.275 -10.723 1.00 0.00 H new ATOM 673 N GLY A 42 4.550 1.903 -13.788 1.00 0.00 N ATOM 674 CA GLY A 42 4.951 0.633 -14.481 1.00 0.00 C ATOM 675 C GLY A 42 4.704 -0.581 -13.571 1.00 0.00 C ATOM 676 O GLY A 42 4.058 -1.533 -13.967 1.00 0.00 O ATOM 0 H GLY A 42 4.291 1.803 -12.807 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.385 0.522 -15.406 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.005 0.680 -14.756 1.00 0.00 H new ATOM 680 N GLY A 43 5.214 -0.557 -12.358 1.00 0.00 N ATOM 681 CA GLY A 43 5.006 -1.712 -11.437 1.00 0.00 C ATOM 682 C GLY A 43 6.312 -2.508 -11.312 1.00 0.00 C ATOM 683 O GLY A 43 6.330 -3.710 -11.504 1.00 0.00 O ATOM 0 H GLY A 43 5.762 0.212 -11.973 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.689 -1.357 -10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.211 -2.354 -11.816 1.00 0.00 H new ATOM 687 N THR A 44 7.404 -1.853 -10.976 1.00 0.00 N ATOM 688 CA THR A 44 8.700 -2.579 -10.822 1.00 0.00 C ATOM 689 C THR A 44 9.111 -2.549 -9.342 1.00 0.00 C ATOM 690 O THR A 44 9.526 -1.526 -8.835 1.00 0.00 O ATOM 691 CB THR A 44 9.696 -1.807 -11.692 1.00 0.00 C ATOM 692 OG1 THR A 44 9.447 -0.412 -11.564 1.00 0.00 O ATOM 693 CG2 THR A 44 9.523 -2.229 -13.155 1.00 0.00 C ATOM 0 H THR A 44 7.448 -0.849 -10.803 1.00 0.00 H new ATOM 0 HA THR A 44 8.648 -3.625 -11.125 1.00 0.00 H new ATOM 0 HB THR A 44 10.714 -2.025 -11.370 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.971 0.077 -12.233 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.230 -1.681 -13.778 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.709 -3.299 -13.249 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.506 -2.007 -13.480 1.00 0.00 H new ATOM 701 N VAL A 45 8.966 -3.655 -8.633 1.00 0.00 N ATOM 702 CA VAL A 45 9.318 -3.663 -7.160 1.00 0.00 C ATOM 703 C VAL A 45 10.719 -3.068 -6.917 1.00 0.00 C ATOM 704 O VAL A 45 10.935 -2.393 -5.930 1.00 0.00 O ATOM 705 CB VAL A 45 9.260 -5.135 -6.691 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.660 -5.231 -5.213 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.831 -5.668 -6.851 1.00 0.00 C ATOM 0 H VAL A 45 8.624 -4.542 -9.002 1.00 0.00 H new ATOM 0 HA VAL A 45 8.616 -3.047 -6.598 1.00 0.00 H new ATOM 0 HB VAL A 45 9.949 -5.725 -7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.616 -6.271 -4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.675 -4.854 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.973 -4.636 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.791 -6.706 -6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.149 -5.068 -6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.536 -5.609 -7.899 1.00 0.00 H new ATOM 717 N GLU A 46 11.665 -3.300 -7.798 1.00 0.00 N ATOM 718 CA GLU A 46 13.036 -2.718 -7.570 1.00 0.00 C ATOM 719 C GLU A 46 12.968 -1.191 -7.670 1.00 0.00 C ATOM 720 O GLU A 46 13.362 -0.493 -6.753 1.00 0.00 O ATOM 721 CB GLU A 46 13.957 -3.291 -8.659 1.00 0.00 C ATOM 722 CG GLU A 46 14.472 -4.664 -8.222 1.00 0.00 C ATOM 723 CD GLU A 46 15.691 -4.488 -7.314 1.00 0.00 C ATOM 724 OE1 GLU A 46 15.630 -3.649 -6.430 1.00 0.00 O ATOM 725 OE2 GLU A 46 16.664 -5.195 -7.519 1.00 0.00 O ATOM 0 H GLU A 46 11.556 -3.854 -8.648 1.00 0.00 H new ATOM 0 HA GLU A 46 13.416 -2.972 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.415 -3.377 -9.601 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.794 -2.616 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.688 -5.207 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.739 -5.259 -9.096 1.00 0.00 H new ATOM 732 N SER A 47 12.456 -0.661 -8.761 1.00 0.00 N ATOM 733 CA SER A 47 12.356 0.837 -8.873 1.00 0.00 C ATOM 734 C SER A 47 11.318 1.365 -7.868 1.00 0.00 C ATOM 735 O SER A 47 11.477 2.441 -7.324 1.00 0.00 O ATOM 736 CB SER A 47 11.918 1.152 -10.310 1.00 0.00 C ATOM 737 OG SER A 47 12.286 0.071 -11.160 1.00 0.00 O ATOM 0 H SER A 47 12.109 -1.187 -9.563 1.00 0.00 H new ATOM 0 HA SER A 47 13.311 1.314 -8.650 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.840 1.309 -10.348 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.387 2.075 -10.652 1.00 0.00 H new ATOM 0 HG SER A 47 12.007 0.267 -12.079 1.00 0.00 H new ATOM 743 N VAL A 48 10.262 0.616 -7.605 1.00 0.00 N ATOM 744 CA VAL A 48 9.234 1.100 -6.617 1.00 0.00 C ATOM 745 C VAL A 48 9.802 1.037 -5.190 1.00 0.00 C ATOM 746 O VAL A 48 9.525 1.904 -4.381 1.00 0.00 O ATOM 747 CB VAL A 48 8.004 0.180 -6.757 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.901 0.646 -5.802 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.480 0.237 -8.197 1.00 0.00 C ATOM 0 H VAL A 48 10.071 -0.294 -8.025 1.00 0.00 H new ATOM 0 HA VAL A 48 8.959 2.136 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 48 8.292 -0.842 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.033 -0.006 -5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.267 0.606 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.617 1.669 -6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.611 -0.414 -8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.196 1.261 -8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.260 -0.095 -8.882 1.00 0.00 H new ATOM 759 N VAL A 49 10.611 0.042 -4.872 1.00 0.00 N ATOM 760 CA VAL A 49 11.195 -0.012 -3.484 1.00 0.00 C ATOM 761 C VAL A 49 12.317 1.037 -3.370 1.00 0.00 C ATOM 762 O VAL A 49 12.461 1.680 -2.347 1.00 0.00 O ATOM 763 CB VAL A 49 11.735 -1.443 -3.278 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.504 -1.536 -1.954 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.560 -2.423 -3.236 1.00 0.00 C ATOM 0 H VAL A 49 10.886 -0.716 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 49 10.453 0.214 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 49 12.405 -1.689 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.879 -2.551 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.342 -0.839 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.838 -1.285 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.936 -3.436 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.897 -2.160 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.010 -2.372 -4.175 1.00 0.00 H new ATOM 775 N ASP A 50 13.100 1.227 -4.414 1.00 0.00 N ATOM 776 CA ASP A 50 14.194 2.260 -4.342 1.00 0.00 C ATOM 777 C ASP A 50 13.582 3.669 -4.280 1.00 0.00 C ATOM 778 O ASP A 50 14.097 4.535 -3.598 1.00 0.00 O ATOM 779 CB ASP A 50 15.042 2.101 -5.614 1.00 0.00 C ATOM 780 CG ASP A 50 15.913 0.850 -5.495 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.558 0.696 -4.471 1.00 0.00 O ATOM 782 OD2 ASP A 50 15.921 0.066 -6.430 1.00 0.00 O ATOM 0 H ASP A 50 13.032 0.722 -5.297 1.00 0.00 H new ATOM 0 HA ASP A 50 14.806 2.124 -3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.395 2.024 -6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.669 2.981 -5.758 1.00 0.00 H new ATOM 787 N GLU A 51 12.484 3.909 -4.974 1.00 0.00 N ATOM 788 CA GLU A 51 11.860 5.281 -4.918 1.00 0.00 C ATOM 789 C GLU A 51 11.216 5.491 -3.541 1.00 0.00 C ATOM 790 O GLU A 51 11.336 6.552 -2.956 1.00 0.00 O ATOM 791 CB GLU A 51 10.793 5.353 -6.033 1.00 0.00 C ATOM 792 CG GLU A 51 11.146 6.476 -7.011 1.00 0.00 C ATOM 793 CD GLU A 51 10.417 6.249 -8.336 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.678 5.237 -8.967 1.00 0.00 O ATOM 795 OE2 GLU A 51 9.611 7.089 -8.697 1.00 0.00 O ATOM 0 H GLU A 51 12.002 3.231 -5.564 1.00 0.00 H new ATOM 0 HA GLU A 51 12.607 6.060 -5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.740 4.401 -6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.810 5.532 -5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.864 7.441 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.223 6.503 -7.177 1.00 0.00 H new ATOM 802 N LEU A 52 10.553 4.487 -3.007 1.00 0.00 N ATOM 803 CA LEU A 52 9.931 4.650 -1.648 1.00 0.00 C ATOM 804 C LEU A 52 11.037 4.699 -0.587 1.00 0.00 C ATOM 805 O LEU A 52 10.952 5.457 0.358 1.00 0.00 O ATOM 806 CB LEU A 52 9.018 3.436 -1.418 1.00 0.00 C ATOM 807 CG LEU A 52 7.792 3.540 -2.326 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.099 2.179 -2.406 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.820 4.573 -1.753 1.00 0.00 C ATOM 0 H LEU A 52 10.417 3.576 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 52 9.355 5.573 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.561 2.514 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.708 3.394 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 52 8.104 3.848 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.225 2.253 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.791 1.442 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.786 1.871 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.946 4.648 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.508 4.265 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.313 5.544 -1.695 1.00 0.00 H new ATOM 821 N ALA A 53 12.084 3.911 -0.740 1.00 0.00 N ATOM 822 CA ALA A 53 13.196 3.953 0.274 1.00 0.00 C ATOM 823 C ALA A 53 13.878 5.330 0.231 1.00 0.00 C ATOM 824 O ALA A 53 14.239 5.876 1.256 1.00 0.00 O ATOM 825 CB ALA A 53 14.196 2.851 -0.111 1.00 0.00 C ATOM 0 H ALA A 53 12.215 3.253 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 53 12.819 3.793 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.022 2.845 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.695 1.883 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.581 3.043 -1.113 1.00 0.00 H new ATOM 831 N SER A 54 14.052 5.903 -0.947 1.00 0.00 N ATOM 832 CA SER A 54 14.709 7.259 -1.029 1.00 0.00 C ATOM 833 C SER A 54 13.919 8.286 -0.199 1.00 0.00 C ATOM 834 O SER A 54 14.499 9.162 0.416 1.00 0.00 O ATOM 835 CB SER A 54 14.708 7.665 -2.511 1.00 0.00 C ATOM 836 OG SER A 54 13.366 7.817 -2.956 1.00 0.00 O ATOM 0 H SER A 54 13.773 5.498 -1.841 1.00 0.00 H new ATOM 0 HA SER A 54 15.724 7.224 -0.633 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.255 8.598 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.218 6.908 -3.108 1.00 0.00 H new ATOM 0 HG SER A 54 12.855 7.010 -2.737 1.00 0.00 H new ATOM 842 N LEU A 55 12.605 8.184 -0.164 1.00 0.00 N ATOM 843 CA LEU A 55 11.801 9.162 0.647 1.00 0.00 C ATOM 844 C LEU A 55 11.529 8.578 2.041 1.00 0.00 C ATOM 845 O LEU A 55 11.625 9.271 3.037 1.00 0.00 O ATOM 846 CB LEU A 55 10.481 9.380 -0.112 1.00 0.00 C ATOM 847 CG LEU A 55 10.518 10.728 -0.834 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.699 10.640 -2.122 1.00 0.00 C ATOM 849 CD2 LEU A 55 9.924 11.807 0.075 1.00 0.00 C ATOM 0 H LEU A 55 12.061 7.475 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 55 12.332 10.105 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.327 8.576 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.642 9.352 0.583 1.00 0.00 H new ATOM 0 HG LEU A 55 11.550 10.983 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.725 11.601 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.120 9.870 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.667 10.386 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.949 12.769 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.892 11.552 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.507 11.870 0.994 1.00 0.00 H new ATOM 861 N PHE A 56 11.204 7.307 2.121 1.00 0.00 N ATOM 862 CA PHE A 56 10.942 6.677 3.451 1.00 0.00 C ATOM 863 C PHE A 56 12.093 5.719 3.794 1.00 0.00 C ATOM 864 O PHE A 56 11.945 4.514 3.716 1.00 0.00 O ATOM 865 CB PHE A 56 9.625 5.905 3.293 1.00 0.00 C ATOM 866 CG PHE A 56 8.523 6.854 2.883 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.224 7.967 3.678 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.802 6.622 1.705 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.205 8.847 3.296 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.784 7.501 1.323 1.00 0.00 C ATOM 871 CZ PHE A 56 6.485 8.613 2.118 1.00 0.00 C ATOM 0 H PHE A 56 11.110 6.681 1.321 1.00 0.00 H new ATOM 0 HA PHE A 56 10.873 7.412 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.740 5.121 2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.365 5.415 4.231 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.780 8.147 4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.032 5.764 1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.974 9.706 3.909 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.228 7.322 0.414 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.698 9.291 1.823 1.00 0.00 H new ATOM 881 N ASP A 57 13.240 6.244 4.179 1.00 0.00 N ATOM 882 CA ASP A 57 14.391 5.348 4.529 1.00 0.00 C ATOM 883 C ASP A 57 14.541 5.219 6.057 1.00 0.00 C ATOM 884 O ASP A 57 15.630 4.994 6.552 1.00 0.00 O ATOM 885 CB ASP A 57 15.634 6.013 3.925 1.00 0.00 C ATOM 886 CG ASP A 57 16.630 4.936 3.491 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.188 3.911 3.000 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.819 5.155 3.658 1.00 0.00 O ATOM 0 H ASP A 57 13.425 7.244 4.264 1.00 0.00 H new ATOM 0 HA ASP A 57 14.242 4.340 4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.351 6.627 3.070 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.096 6.677 4.656 1.00 0.00 H new ATOM 893 N SER A 58 13.464 5.342 6.811 1.00 0.00 N ATOM 894 CA SER A 58 13.577 5.204 8.303 1.00 0.00 C ATOM 895 C SER A 58 13.203 3.775 8.730 1.00 0.00 C ATOM 896 O SER A 58 13.821 3.210 9.613 1.00 0.00 O ATOM 897 CB SER A 58 12.595 6.220 8.899 1.00 0.00 C ATOM 898 OG SER A 58 11.559 6.479 7.959 1.00 0.00 O ATOM 0 H SER A 58 12.525 5.530 6.461 1.00 0.00 H new ATOM 0 HA SER A 58 14.594 5.390 8.649 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.172 5.834 9.826 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.116 7.145 9.147 1.00 0.00 H new ATOM 0 HG SER A 58 10.928 7.127 8.337 1.00 0.00 H new ATOM 904 N VAL A 59 12.205 3.180 8.108 1.00 0.00 N ATOM 905 CA VAL A 59 11.815 1.779 8.487 1.00 0.00 C ATOM 906 C VAL A 59 12.603 0.763 7.643 1.00 0.00 C ATOM 907 O VAL A 59 13.070 1.076 6.564 1.00 0.00 O ATOM 908 CB VAL A 59 10.297 1.662 8.229 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.990 1.777 6.725 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.803 0.311 8.754 1.00 0.00 C ATOM 0 H VAL A 59 11.650 3.600 7.362 1.00 0.00 H new ATOM 0 HA VAL A 59 12.043 1.568 9.532 1.00 0.00 H new ATOM 0 HB VAL A 59 9.786 2.473 8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.915 1.692 6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.336 2.742 6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.501 0.978 6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.732 0.221 8.575 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.326 -0.494 8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.999 0.243 9.824 1.00 0.00 H new ATOM 920 N SER A 60 12.765 -0.450 8.132 1.00 0.00 N ATOM 921 CA SER A 60 13.544 -1.484 7.349 1.00 0.00 C ATOM 922 C SER A 60 13.012 -1.605 5.907 1.00 0.00 C ATOM 923 O SER A 60 11.821 -1.538 5.675 1.00 0.00 O ATOM 924 CB SER A 60 13.360 -2.820 8.084 1.00 0.00 C ATOM 925 OG SER A 60 14.172 -2.830 9.251 1.00 0.00 O ATOM 0 H SER A 60 12.398 -0.770 9.028 1.00 0.00 H new ATOM 0 HA SER A 60 14.594 -1.200 7.284 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.313 -2.958 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.633 -3.648 7.430 1.00 0.00 H new ATOM 0 HG SER A 60 14.055 -3.681 9.723 1.00 0.00 H new ATOM 931 N ARG A 61 13.890 -1.791 4.936 1.00 0.00 N ATOM 932 CA ARG A 61 13.426 -1.924 3.504 1.00 0.00 C ATOM 933 C ARG A 61 12.345 -3.011 3.380 1.00 0.00 C ATOM 934 O ARG A 61 11.430 -2.887 2.587 1.00 0.00 O ATOM 935 CB ARG A 61 14.660 -2.320 2.676 1.00 0.00 C ATOM 936 CG ARG A 61 15.436 -1.061 2.283 1.00 0.00 C ATOM 937 CD ARG A 61 16.501 -0.765 3.342 1.00 0.00 C ATOM 938 NE ARG A 61 17.448 0.175 2.682 1.00 0.00 N ATOM 939 CZ ARG A 61 18.335 -0.277 1.839 1.00 0.00 C ATOM 940 NH1 ARG A 61 19.078 -1.301 2.160 1.00 0.00 N ATOM 941 NH2 ARG A 61 18.481 0.296 0.676 1.00 0.00 N ATOM 0 H ARG A 61 14.899 -1.856 5.071 1.00 0.00 H new ATOM 0 HA ARG A 61 12.992 -0.988 3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.299 -2.989 3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.353 -2.864 1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.905 -1.200 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.755 -0.215 2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.059 -0.319 4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.007 -1.677 3.659 1.00 0.00 H new ATOM 0 HE ARG A 61 17.403 1.173 2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.965 -1.748 3.070 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.772 -1.654 1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.902 1.097 0.426 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.175 -0.057 0.017 1.00 0.00 H new ATOM 955 N ASP A 62 12.438 -4.074 4.154 1.00 0.00 N ATOM 956 CA ASP A 62 11.394 -5.162 4.060 1.00 0.00 C ATOM 957 C ASP A 62 9.992 -4.581 4.306 1.00 0.00 C ATOM 958 O ASP A 62 9.035 -4.980 3.669 1.00 0.00 O ATOM 959 CB ASP A 62 11.733 -6.198 5.143 1.00 0.00 C ATOM 960 CG ASP A 62 12.939 -7.027 4.698 1.00 0.00 C ATOM 961 OD1 ASP A 62 12.752 -7.924 3.892 1.00 0.00 O ATOM 962 OD2 ASP A 62 14.030 -6.750 5.169 1.00 0.00 O ATOM 0 H ASP A 62 13.178 -4.237 4.837 1.00 0.00 H new ATOM 0 HA ASP A 62 11.394 -5.615 3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.951 -5.696 6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.876 -6.849 5.319 1.00 0.00 H new ATOM 967 N THR A 63 9.860 -3.639 5.218 1.00 0.00 N ATOM 968 CA THR A 63 8.500 -3.044 5.479 1.00 0.00 C ATOM 969 C THR A 63 8.006 -2.320 4.219 1.00 0.00 C ATOM 970 O THR A 63 6.860 -2.455 3.834 1.00 0.00 O ATOM 971 CB THR A 63 8.661 -2.050 6.646 1.00 0.00 C ATOM 972 OG1 THR A 63 9.116 -2.748 7.801 1.00 0.00 O ATOM 973 CG2 THR A 63 7.314 -1.388 6.951 1.00 0.00 C ATOM 0 H THR A 63 10.620 -3.261 5.784 1.00 0.00 H new ATOM 0 HA THR A 63 7.770 -3.813 5.732 1.00 0.00 H new ATOM 0 HB THR A 63 9.385 -1.284 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.783 -2.300 8.606 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.432 -0.686 7.777 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.963 -0.854 6.068 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.587 -2.152 7.226 1.00 0.00 H new ATOM 981 N LEU A 64 8.861 -1.560 3.568 1.00 0.00 N ATOM 982 CA LEU A 64 8.415 -0.844 2.322 1.00 0.00 C ATOM 983 C LEU A 64 8.114 -1.878 1.234 1.00 0.00 C ATOM 984 O LEU A 64 7.093 -1.812 0.575 1.00 0.00 O ATOM 985 CB LEU A 64 9.575 0.070 1.885 1.00 0.00 C ATOM 986 CG LEU A 64 9.935 1.046 3.022 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.385 0.820 3.462 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.781 2.490 2.532 1.00 0.00 C ATOM 0 H LEU A 64 9.832 -1.405 3.839 1.00 0.00 H new ATOM 0 HA LEU A 64 7.515 -0.255 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.445 -0.533 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.293 0.628 0.992 1.00 0.00 H new ATOM 0 HG LEU A 64 9.266 0.870 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.633 1.513 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.502 -0.204 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.052 0.990 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.036 3.177 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.447 2.660 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.750 2.661 2.222 1.00 0.00 H new ATOM 1000 N ALA A 65 8.986 -2.846 1.051 1.00 0.00 N ATOM 1001 CA ALA A 65 8.723 -3.901 0.006 1.00 0.00 C ATOM 1002 C ALA A 65 7.406 -4.634 0.317 1.00 0.00 C ATOM 1003 O ALA A 65 6.685 -5.020 -0.584 1.00 0.00 O ATOM 1004 CB ALA A 65 9.901 -4.886 0.061 1.00 0.00 C ATOM 0 H ALA A 65 9.857 -2.954 1.570 1.00 0.00 H new ATOM 0 HA ALA A 65 8.632 -3.456 -0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.754 -5.671 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.829 -4.355 -0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.957 -5.332 1.054 1.00 0.00 H new ATOM 1010 N ASN A 66 7.081 -4.829 1.582 1.00 0.00 N ATOM 1011 CA ASN A 66 5.797 -5.543 1.920 1.00 0.00 C ATOM 1012 C ASN A 66 4.599 -4.763 1.360 1.00 0.00 C ATOM 1013 O ASN A 66 3.690 -5.348 0.800 1.00 0.00 O ATOM 1014 CB ASN A 66 5.712 -5.612 3.453 1.00 0.00 C ATOM 1015 CG ASN A 66 6.558 -6.786 3.961 1.00 0.00 C ATOM 1016 OD1 ASN A 66 7.469 -6.595 4.741 1.00 0.00 O ATOM 1017 ND2 ASN A 66 6.299 -8.005 3.552 1.00 0.00 N ATOM 0 H ASN A 66 7.639 -4.530 2.382 1.00 0.00 H new ATOM 0 HA ASN A 66 5.780 -6.542 1.484 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.067 -4.679 3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.675 -5.736 3.765 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.861 -8.786 3.889 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.535 -8.172 2.897 1.00 0.00 H new ATOM 1024 N VAL A 67 4.586 -3.449 1.493 1.00 0.00 N ATOM 1025 CA VAL A 67 3.423 -2.667 0.939 1.00 0.00 C ATOM 1026 C VAL A 67 3.475 -2.689 -0.597 1.00 0.00 C ATOM 1027 O VAL A 67 2.454 -2.802 -1.249 1.00 0.00 O ATOM 1028 CB VAL A 67 3.546 -1.232 1.474 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.375 -0.395 0.957 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.512 -1.258 3.006 1.00 0.00 C ATOM 0 H VAL A 67 5.312 -2.896 1.950 1.00 0.00 H new ATOM 0 HA VAL A 67 2.470 -3.098 1.244 1.00 0.00 H new ATOM 0 HB VAL A 67 4.485 -0.795 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.461 0.624 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.392 -0.380 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.437 -0.832 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.599 -0.241 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.571 -1.693 3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.342 -1.858 3.378 1.00 0.00 H new ATOM 1040 N VAL A 68 4.652 -2.608 -1.188 1.00 0.00 N ATOM 1041 CA VAL A 68 4.724 -2.662 -2.691 1.00 0.00 C ATOM 1042 C VAL A 68 4.295 -4.064 -3.166 1.00 0.00 C ATOM 1043 O VAL A 68 3.669 -4.201 -4.201 1.00 0.00 O ATOM 1044 CB VAL A 68 6.185 -2.381 -3.083 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.328 -2.421 -4.607 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.590 -0.994 -2.575 1.00 0.00 C ATOM 0 H VAL A 68 5.546 -2.509 -0.707 1.00 0.00 H new ATOM 0 HA VAL A 68 4.063 -1.929 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 68 6.829 -3.139 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.364 -2.221 -4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.039 -3.406 -4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.683 -1.664 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.625 -0.793 -2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.942 -0.240 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.492 -0.961 -1.490 1.00 0.00 H new ATOM 1056 N GLN A 69 4.618 -5.109 -2.419 1.00 0.00 N ATOM 1057 CA GLN A 69 4.205 -6.490 -2.856 1.00 0.00 C ATOM 1058 C GLN A 69 2.674 -6.592 -2.901 1.00 0.00 C ATOM 1059 O GLN A 69 2.118 -7.117 -3.849 1.00 0.00 O ATOM 1060 CB GLN A 69 4.771 -7.475 -1.819 1.00 0.00 C ATOM 1061 CG GLN A 69 4.570 -8.909 -2.311 1.00 0.00 C ATOM 1062 CD GLN A 69 5.776 -9.335 -3.157 1.00 0.00 C ATOM 1063 OE1 GLN A 69 5.696 -9.368 -4.369 1.00 0.00 O ATOM 1064 NE2 GLN A 69 6.902 -9.665 -2.571 1.00 0.00 N ATOM 0 H GLN A 69 5.139 -5.064 -1.543 1.00 0.00 H new ATOM 0 HA GLN A 69 4.584 -6.714 -3.853 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.831 -7.280 -1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.272 -7.336 -0.860 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.452 -9.583 -1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.656 -8.977 -2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.974 -9.639 -1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.705 -9.948 -3.132 1.00 0.00 H new ATOM 1073 N THR A 70 1.984 -6.094 -1.894 1.00 0.00 N ATOM 1074 CA THR A 70 0.478 -6.177 -1.921 1.00 0.00 C ATOM 1075 C THR A 70 -0.090 -5.303 -3.055 1.00 0.00 C ATOM 1076 O THR A 70 -1.118 -5.627 -3.620 1.00 0.00 O ATOM 1077 CB THR A 70 -0.041 -5.715 -0.544 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.457 -5.826 -0.518 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.356 -4.263 -0.276 1.00 0.00 C ATOM 0 H THR A 70 2.386 -5.643 -1.072 1.00 0.00 H new ATOM 0 HA THR A 70 0.153 -7.199 -2.114 1.00 0.00 H new ATOM 0 HB THR A 70 0.401 -6.346 0.227 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.792 -5.535 0.356 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.020 -3.957 0.700 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.442 -4.174 -0.291 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.071 -3.621 -1.046 1.00 0.00 H new ATOM 1087 N ALA A 71 0.572 -4.218 -3.420 1.00 0.00 N ATOM 1088 CA ALA A 71 0.041 -3.376 -4.553 1.00 0.00 C ATOM 1089 C ALA A 71 0.221 -4.140 -5.876 1.00 0.00 C ATOM 1090 O ALA A 71 -0.619 -4.064 -6.754 1.00 0.00 O ATOM 1091 CB ALA A 71 0.856 -2.071 -4.576 1.00 0.00 C ATOM 0 H ALA A 71 1.437 -3.886 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.019 -3.157 -4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.500 -1.434 -5.385 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.737 -1.551 -3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.909 -2.303 -4.734 1.00 0.00 H new ATOM 1097 N PHE A 72 1.300 -4.893 -6.025 1.00 0.00 N ATOM 1098 CA PHE A 72 1.493 -5.670 -7.300 1.00 0.00 C ATOM 1099 C PHE A 72 0.386 -6.725 -7.405 1.00 0.00 C ATOM 1100 O PHE A 72 -0.288 -6.823 -8.414 1.00 0.00 O ATOM 1101 CB PHE A 72 2.869 -6.355 -7.204 1.00 0.00 C ATOM 1102 CG PHE A 72 3.952 -5.416 -7.686 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.056 -4.124 -7.152 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.858 -5.840 -8.665 1.00 0.00 C ATOM 1105 CE1 PHE A 72 5.061 -3.262 -7.599 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.862 -4.975 -9.111 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.962 -3.686 -8.577 1.00 0.00 C ATOM 0 H PHE A 72 2.040 -5.000 -5.331 1.00 0.00 H new ATOM 0 HA PHE A 72 1.448 -5.026 -8.178 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.066 -6.651 -6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.873 -7.266 -7.803 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.359 -3.795 -6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.782 -6.836 -9.076 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.141 -2.267 -7.187 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.560 -5.302 -9.867 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.737 -3.018 -8.922 1.00 0.00 H new ATOM 1117 N PHE A 73 0.176 -7.504 -6.361 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.917 -8.539 -6.413 1.00 0.00 C ATOM 1119 C PHE A 73 -2.271 -7.836 -6.598 1.00 0.00 C ATOM 1120 O PHE A 73 -3.116 -8.301 -7.340 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.887 -9.287 -5.070 1.00 0.00 C ATOM 1122 CG PHE A 73 0.078 -10.444 -5.160 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -0.211 -11.534 -5.990 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.263 -10.427 -4.414 1.00 0.00 C ATOM 1125 CE1 PHE A 73 0.685 -12.607 -6.074 1.00 0.00 C ATOM 1126 CE2 PHE A 73 2.158 -11.500 -4.498 1.00 0.00 C ATOM 1127 CZ PHE A 73 1.869 -12.590 -5.327 1.00 0.00 C ATOM 0 H PHE A 73 0.705 -7.469 -5.489 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.774 -9.232 -7.242 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.586 -8.610 -4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.884 -9.650 -4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.125 -11.547 -6.565 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.486 -9.586 -3.774 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.463 -13.447 -6.715 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.072 -11.487 -3.923 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.559 -13.418 -5.390 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.483 -6.711 -5.937 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.794 -5.987 -6.099 1.00 0.00 C ATOM 1139 C ALA A 74 -4.007 -5.606 -7.572 1.00 0.00 C ATOM 1140 O ALA A 74 -5.111 -5.684 -8.077 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.716 -4.721 -5.231 1.00 0.00 C ATOM 0 H ALA A 74 -1.816 -6.271 -5.303 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.629 -6.618 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.648 -4.163 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.557 -5.003 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.887 -4.099 -5.569 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.963 -5.198 -8.271 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.147 -4.821 -9.724 1.00 0.00 C ATOM 1149 C LEU A 75 -3.710 -6.018 -10.506 1.00 0.00 C ATOM 1150 O LEU A 75 -4.580 -5.858 -11.343 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.763 -4.419 -10.284 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.769 -2.935 -10.658 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.358 -2.506 -11.063 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -2.726 -2.710 -11.831 1.00 0.00 C ATOM 0 H LEU A 75 -2.013 -5.110 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.849 -3.992 -9.821 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.989 -4.614 -9.542 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.524 -5.024 -11.159 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.097 -2.345 -9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.361 -1.449 -11.330 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.325 -2.668 -10.229 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.030 -3.095 -11.920 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.731 -1.653 -12.099 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.397 -3.299 -12.687 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.732 -3.017 -11.544 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.235 -7.215 -10.234 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.776 -8.412 -10.969 1.00 0.00 C ATOM 1168 C GLU A 76 -5.202 -8.705 -10.485 1.00 0.00 C ATOM 1169 O GLU A 76 -6.075 -9.017 -11.274 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.846 -9.592 -10.649 1.00 0.00 C ATOM 1171 CG GLU A 76 -2.800 -10.546 -11.845 1.00 0.00 C ATOM 1172 CD GLU A 76 -1.610 -11.496 -11.696 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -0.544 -11.026 -11.333 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -1.785 -12.677 -11.946 1.00 0.00 O ATOM 0 H GLU A 76 -2.508 -7.415 -9.547 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.814 -8.238 -12.044 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.844 -9.228 -10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.201 -10.119 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.728 -11.115 -11.905 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.713 -9.980 -12.772 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.453 -8.593 -9.197 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.845 -8.854 -8.685 1.00 0.00 C ATOM 1183 C ALA A 77 -7.794 -7.749 -9.171 1.00 0.00 C ATOM 1184 O ALA A 77 -8.935 -8.016 -9.501 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.765 -8.852 -7.150 1.00 0.00 C ATOM 0 H ALA A 77 -4.767 -8.336 -8.487 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.227 -9.807 -9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.755 -9.038 -6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.080 -9.633 -6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.403 -7.883 -6.806 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.336 -6.512 -9.235 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.243 -5.414 -9.724 1.00 0.00 C ATOM 1193 C LEU A 78 -8.536 -5.617 -11.220 1.00 0.00 C ATOM 1194 O LEU A 78 -9.647 -5.403 -11.668 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.503 -4.084 -9.500 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.509 -3.001 -9.108 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.038 -3.281 -7.699 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -7.821 -1.635 -9.130 1.00 0.00 C ATOM 0 H LEU A 78 -6.394 -6.221 -8.975 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.193 -5.418 -9.189 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.754 -4.200 -8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.974 -3.793 -10.407 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.338 -3.003 -9.815 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.755 -2.509 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.528 -4.255 -7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.209 -3.279 -6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.537 -0.862 -8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.992 -1.634 -8.423 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.443 -1.434 -10.132 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.554 -6.037 -11.998 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.812 -6.256 -13.467 1.00 0.00 C ATOM 1212 C GLN A 79 -8.881 -7.344 -13.675 1.00 0.00 C ATOM 1213 O GLN A 79 -9.633 -7.293 -14.631 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.479 -6.702 -14.091 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.633 -5.470 -14.422 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.283 -5.915 -14.996 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.118 -5.982 -16.198 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.299 -6.226 -14.187 1.00 0.00 N ATOM 0 H GLN A 79 -6.603 -6.234 -11.686 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.181 -5.342 -13.932 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.941 -7.351 -13.400 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.664 -7.283 -14.995 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.156 -4.839 -15.141 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.479 -4.870 -13.525 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.432 -6.171 -13.177 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.400 -6.522 -14.567 1.00 0.00 H new ATOM 1227 N GLN A 80 -8.964 -8.328 -12.798 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.002 -9.402 -12.981 1.00 0.00 C ATOM 1229 C GLN A 80 -11.344 -8.956 -12.382 1.00 0.00 C ATOM 1230 O GLN A 80 -12.390 -9.204 -12.952 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.478 -10.647 -12.250 1.00 0.00 C ATOM 1232 CG GLN A 80 -10.035 -11.905 -12.920 1.00 0.00 C ATOM 1233 CD GLN A 80 -9.565 -13.146 -12.152 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -10.364 -13.831 -11.545 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -8.295 -13.472 -12.148 1.00 0.00 N ATOM 0 H GLN A 80 -8.368 -8.432 -11.977 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.170 -9.609 -14.038 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.388 -10.663 -12.272 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.776 -10.618 -11.202 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -11.124 -11.867 -12.939 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.699 -11.957 -13.956 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.620 -12.900 -12.656 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.982 -14.297 -11.637 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.327 -8.298 -11.243 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.608 -7.842 -10.625 1.00 0.00 C ATOM 1246 C GLY A 81 -12.568 -8.078 -9.108 1.00 0.00 C ATOM 1247 O GLY A 81 -13.127 -9.040 -8.615 1.00 0.00 O ATOM 0 H GLY A 81 -10.484 -8.060 -10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.766 -6.784 -10.833 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.447 -8.382 -11.064 1.00 0.00 H new ATOM 1251 N GLU A 82 -11.919 -7.209 -8.360 1.00 0.00 N ATOM 1252 CA GLU A 82 -11.858 -7.392 -6.879 1.00 0.00 C ATOM 1253 C GLU A 82 -12.434 -6.155 -6.172 1.00 0.00 C ATOM 1254 O GLU A 82 -12.617 -5.120 -6.787 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.370 -7.551 -6.559 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.187 -8.615 -5.471 1.00 0.00 C ATOM 1257 CD GLU A 82 -10.055 -7.938 -4.106 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -11.077 -7.710 -3.478 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -8.935 -7.659 -3.710 1.00 0.00 O ATOM 0 H GLU A 82 -11.433 -6.386 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.439 -8.251 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.823 -7.838 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.956 -6.600 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.037 -9.297 -5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.299 -9.213 -5.679 1.00 0.00 H new ATOM 1266 N SER A 83 -12.723 -6.245 -4.889 1.00 0.00 N ATOM 1267 CA SER A 83 -13.285 -5.062 -4.166 1.00 0.00 C ATOM 1268 C SER A 83 -12.265 -4.517 -3.156 1.00 0.00 C ATOM 1269 O SER A 83 -11.612 -5.272 -2.461 1.00 0.00 O ATOM 1270 CB SER A 83 -14.528 -5.578 -3.439 1.00 0.00 C ATOM 1271 OG SER A 83 -15.555 -5.832 -4.388 1.00 0.00 O ATOM 0 H SER A 83 -12.594 -7.081 -4.320 1.00 0.00 H new ATOM 0 HA SER A 83 -13.524 -4.248 -4.850 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.290 -6.489 -2.890 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.866 -4.844 -2.707 1.00 0.00 H new ATOM 0 HG SER A 83 -16.353 -6.164 -3.926 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.123 -3.210 -3.066 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.139 -2.628 -2.090 1.00 0.00 C ATOM 1279 C ALA A 84 -11.846 -2.156 -0.801 1.00 0.00 C ATOM 1280 O ALA A 84 -11.275 -2.223 0.272 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.484 -1.442 -2.813 1.00 0.00 C ATOM 0 H ALA A 84 -12.641 -2.528 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.402 -3.370 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.754 -0.972 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.984 -1.796 -3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.249 -0.714 -3.085 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.075 -1.676 -0.884 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.782 -1.202 0.365 1.00 0.00 C ATOM 1289 C GLU A 85 -13.846 -2.328 1.410 1.00 0.00 C ATOM 1290 O GLU A 85 -13.699 -2.085 2.593 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.203 -0.794 -0.056 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.916 -0.133 1.126 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.666 -1.196 1.930 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -17.483 -1.887 1.344 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -16.412 -1.300 3.119 1.00 0.00 O ATOM 0 H GLU A 85 -13.612 -1.592 -1.747 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.248 -0.365 0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.160 -0.105 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.761 -1.670 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.192 0.376 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.612 0.625 0.767 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.065 -3.557 0.988 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.135 -4.689 1.986 1.00 0.00 C ATOM 1304 C ASN A 86 -12.829 -4.769 2.793 1.00 0.00 C ATOM 1305 O ASN A 86 -12.852 -5.034 3.980 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.338 -5.981 1.179 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.838 -6.232 0.982 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.615 -6.061 1.900 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.287 -6.632 -0.183 1.00 0.00 N ATOM 0 H ASN A 86 -14.197 -3.826 0.013 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.951 -4.536 2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.842 -5.900 0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.883 -6.823 1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.285 -6.798 -0.315 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.639 -6.777 -0.957 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.692 -4.533 2.168 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.399 -4.595 2.939 1.00 0.00 C ATOM 1318 C ILE A 87 -10.388 -3.495 4.020 1.00 0.00 C ATOM 1319 O ILE A 87 -9.884 -3.705 5.107 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.261 -4.380 1.919 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.248 -5.541 0.919 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.911 -4.334 2.642 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.524 -5.112 -0.360 1.00 0.00 C ATOM 0 H ILE A 87 -11.603 -4.305 1.178 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.277 -5.553 3.445 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.426 -3.438 1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.750 -6.406 1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.269 -5.845 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.114 -4.182 1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.910 -3.513 3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.748 -5.275 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.517 -5.940 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.041 -4.260 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.499 -4.830 -0.121 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.941 -2.327 3.740 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.948 -1.238 4.786 1.00 0.00 C ATOM 1337 C VAL A 88 -11.690 -1.719 6.043 1.00 0.00 C ATOM 1338 O VAL A 88 -11.290 -1.414 7.152 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.665 -0.021 4.171 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.713 1.123 5.188 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.899 0.444 2.933 1.00 0.00 C ATOM 0 H VAL A 88 -11.379 -2.084 2.852 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.932 -0.975 5.081 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.681 -0.305 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.221 1.981 4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.254 0.798 6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.698 1.406 5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.404 1.305 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.884 0.723 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.862 -0.365 2.203 1.00 0.00 H new ATOM 1351 N SER A 89 -12.763 -2.475 5.890 1.00 0.00 N ATOM 1352 CA SER A 89 -13.507 -2.970 7.109 1.00 0.00 C ATOM 1353 C SER A 89 -12.541 -3.740 8.022 1.00 0.00 C ATOM 1354 O SER A 89 -12.560 -3.577 9.228 1.00 0.00 O ATOM 1355 CB SER A 89 -14.619 -3.902 6.605 1.00 0.00 C ATOM 1356 OG SER A 89 -15.792 -3.140 6.352 1.00 0.00 O ATOM 0 H SER A 89 -13.150 -2.767 4.993 1.00 0.00 H new ATOM 0 HA SER A 89 -13.928 -2.143 7.681 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.299 -4.411 5.696 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.826 -4.674 7.346 1.00 0.00 H new ATOM 0 HG SER A 89 -16.503 -3.732 6.029 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.677 -4.559 7.454 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.694 -5.310 8.313 1.00 0.00 C ATOM 1364 C LYS A 90 -9.666 -4.331 8.901 1.00 0.00 C ATOM 1365 O LYS A 90 -9.229 -4.496 10.025 1.00 0.00 O ATOM 1366 CB LYS A 90 -9.998 -6.336 7.404 1.00 0.00 C ATOM 1367 CG LYS A 90 -9.709 -7.611 8.200 1.00 0.00 C ATOM 1368 CD LYS A 90 -8.297 -7.539 8.785 1.00 0.00 C ATOM 1369 CE LYS A 90 -7.764 -8.956 9.007 1.00 0.00 C ATOM 1370 NZ LYS A 90 -7.270 -9.394 7.671 1.00 0.00 N ATOM 0 H LYS A 90 -11.610 -4.738 6.452 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.194 -5.809 9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.630 -6.566 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.069 -5.920 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.440 -7.726 9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.803 -8.484 7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.639 -6.993 8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.310 -6.992 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.963 -8.966 9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.547 -9.619 9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.549 -10.382 7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.682 -8.788 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.233 -9.318 7.642 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.284 -3.302 8.165 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.293 -2.319 8.727 1.00 0.00 C ATOM 1386 C ILE A 91 -8.967 -1.482 9.823 1.00 0.00 C ATOM 1387 O ILE A 91 -8.362 -1.192 10.838 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.834 -1.423 7.557 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.173 -2.280 6.463 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.826 -0.389 8.063 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.000 -3.078 7.049 1.00 0.00 C ATOM 0 H ILE A 91 -9.609 -3.105 7.219 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.437 -2.825 9.174 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.704 -0.915 7.141 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.907 -2.962 6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.819 -1.640 5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.504 0.242 7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.293 0.230 8.830 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.962 -0.900 8.486 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.541 -3.680 6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.260 -2.390 7.458 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.364 -3.732 7.841 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.215 -1.101 9.639 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.904 -0.291 10.705 1.00 0.00 C ATOM 1405 C ARG A 92 -10.991 -1.107 12.002 1.00 0.00 C ATOM 1406 O ARG A 92 -10.818 -0.571 13.081 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.313 0.040 10.185 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.280 1.375 9.435 1.00 0.00 C ATOM 1409 CD ARG A 92 -13.662 2.034 9.491 1.00 0.00 C ATOM 1410 NE ARG A 92 -14.239 1.840 8.132 1.00 0.00 N ATOM 1411 CZ ARG A 92 -14.242 2.827 7.277 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -13.165 3.543 7.104 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -15.322 3.097 6.597 1.00 0.00 N ATOM 0 H ARG A 92 -10.777 -1.310 8.814 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.352 0.624 10.920 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.664 -0.752 9.524 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.016 0.095 11.017 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.534 2.034 9.879 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.985 1.213 8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.288 1.573 10.255 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.584 3.093 9.739 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.632 0.936 7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.321 3.332 7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.167 4.314 6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -16.164 2.537 6.733 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.325 3.868 5.929 1.00 0.00 H new ATOM 1427 N MET A 93 -11.239 -2.399 11.912 1.00 0.00 N ATOM 1428 CA MET A 93 -11.309 -3.225 13.169 1.00 0.00 C ATOM 1429 C MET A 93 -9.894 -3.411 13.732 1.00 0.00 C ATOM 1430 O MET A 93 -9.686 -3.328 14.928 1.00 0.00 O ATOM 1431 CB MET A 93 -11.919 -4.581 12.781 1.00 0.00 C ATOM 1432 CG MET A 93 -12.155 -5.414 14.042 1.00 0.00 C ATOM 1433 SD MET A 93 -13.423 -6.662 13.711 1.00 0.00 S ATOM 1434 CE MET A 93 -13.269 -7.562 15.274 1.00 0.00 C ATOM 0 H MET A 93 -11.393 -2.908 11.042 1.00 0.00 H new ATOM 0 HA MET A 93 -11.916 -2.742 13.934 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.859 -4.430 12.251 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.251 -5.111 12.102 1.00 0.00 H new ATOM 0 HG2 MET A 93 -11.227 -5.896 14.352 1.00 0.00 H new ATOM 0 HG3 MET A 93 -12.469 -4.770 14.863 1.00 0.00 H new ATOM 0 HE1 MET A 93 -13.975 -8.393 15.287 1.00 0.00 H new ATOM 0 HE2 MET A 93 -12.254 -7.947 15.374 1.00 0.00 H new ATOM 0 HE3 MET A 93 -13.485 -6.889 16.104 1.00 0.00 H new ATOM 1444 N MET A 94 -8.915 -3.642 12.881 1.00 0.00 N ATOM 1445 CA MET A 94 -7.510 -3.806 13.394 1.00 0.00 C ATOM 1446 C MET A 94 -6.980 -2.451 13.882 1.00 0.00 C ATOM 1447 O MET A 94 -6.291 -2.380 14.883 1.00 0.00 O ATOM 1448 CB MET A 94 -6.663 -4.323 12.220 1.00 0.00 C ATOM 1449 CG MET A 94 -5.371 -4.942 12.756 1.00 0.00 C ATOM 1450 SD MET A 94 -5.707 -6.618 13.352 1.00 0.00 S ATOM 1451 CE MET A 94 -4.621 -7.491 12.198 1.00 0.00 C ATOM 0 H MET A 94 -9.024 -3.723 11.870 1.00 0.00 H new ATOM 0 HA MET A 94 -7.470 -4.503 14.231 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.225 -5.064 11.651 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.431 -3.505 11.537 1.00 0.00 H new ATOM 0 HG2 MET A 94 -4.615 -4.968 11.971 1.00 0.00 H new ATOM 0 HG3 MET A 94 -4.970 -4.331 13.564 1.00 0.00 H new ATOM 0 HE1 MET A 94 -4.673 -8.563 12.390 1.00 0.00 H new ATOM 0 HE2 MET A 94 -4.940 -7.289 11.175 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.595 -7.147 12.333 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.305 -1.370 13.198 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.815 -0.024 13.663 1.00 0.00 C ATOM 1463 C ASN A 95 -7.492 0.342 14.993 1.00 0.00 C ATOM 1464 O ASN A 95 -6.872 0.927 15.862 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.187 0.997 12.574 1.00 0.00 C ATOM 1466 CG ASN A 95 -6.030 1.123 11.573 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.695 0.098 10.826 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.420 2.168 11.468 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.877 -1.360 12.354 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.737 -0.033 13.825 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.094 0.681 12.059 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.398 1.966 13.026 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.676 2.968 12.046 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.652 2.245 10.802 1.00 0.00 H new ATOM 1475 N ALA A 96 -8.755 -0.001 15.169 1.00 0.00 N ATOM 1476 CA ALA A 96 -9.441 0.335 16.468 1.00 0.00 C ATOM 1477 C ALA A 96 -8.775 -0.428 17.623 1.00 0.00 C ATOM 1478 O ALA A 96 -8.597 0.110 18.700 1.00 0.00 O ATOM 1479 CB ALA A 96 -10.909 -0.095 16.323 1.00 0.00 C ATOM 0 H ALA A 96 -9.331 -0.490 14.483 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.370 1.401 16.686 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.447 0.130 17.244 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.366 0.446 15.494 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.957 -1.166 16.128 1.00 0.00 H new ATOM 1485 N GLN A 97 -8.400 -1.674 17.411 1.00 0.00 N ATOM 1486 CA GLN A 97 -7.738 -2.451 18.522 1.00 0.00 C ATOM 1487 C GLN A 97 -6.433 -1.757 18.937 1.00 0.00 C ATOM 1488 O GLN A 97 -6.124 -1.668 20.111 1.00 0.00 O ATOM 1489 CB GLN A 97 -7.441 -3.854 17.970 1.00 0.00 C ATOM 1490 CG GLN A 97 -7.385 -4.856 19.126 1.00 0.00 C ATOM 1491 CD GLN A 97 -8.793 -5.393 19.407 1.00 0.00 C ATOM 1492 OE1 GLN A 97 -9.239 -6.318 18.757 1.00 0.00 O ATOM 1493 NE2 GLN A 97 -9.523 -4.854 20.354 1.00 0.00 N ATOM 0 H GLN A 97 -8.520 -2.180 16.534 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.381 -2.508 19.400 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.212 -4.147 17.258 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.494 -3.851 17.431 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.714 -5.678 18.876 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.983 -4.376 20.018 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.154 -4.077 20.903 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.460 -5.211 20.542 1.00 0.00 H new ATOM 1502 N SER A 98 -5.665 -1.260 17.989 1.00 0.00 N ATOM 1503 CA SER A 98 -4.376 -0.565 18.357 1.00 0.00 C ATOM 1504 C SER A 98 -4.661 0.614 19.302 1.00 0.00 C ATOM 1505 O SER A 98 -3.901 0.874 20.216 1.00 0.00 O ATOM 1506 CB SER A 98 -3.757 -0.054 17.047 1.00 0.00 C ATOM 1507 OG SER A 98 -2.559 0.653 17.340 1.00 0.00 O ATOM 0 H SER A 98 -5.868 -1.303 16.990 1.00 0.00 H new ATOM 0 HA SER A 98 -3.698 -1.246 18.871 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.546 -0.890 16.380 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.460 0.598 16.529 1.00 0.00 H new ATOM 0 HG SER A 98 -2.160 0.980 16.507 1.00 0.00 H new ATOM 1513 N LEU A 99 -5.750 1.325 19.097 1.00 0.00 N ATOM 1514 CA LEU A 99 -6.075 2.476 19.992 1.00 0.00 C ATOM 1515 C LEU A 99 -7.385 2.204 20.750 1.00 0.00 C ATOM 1516 O LEU A 99 -8.175 3.104 20.965 1.00 0.00 O ATOM 1517 CB LEU A 99 -6.236 3.674 19.055 1.00 0.00 C ATOM 1518 CG LEU A 99 -4.880 4.031 18.446 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -5.088 4.922 17.220 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -4.038 4.779 19.482 1.00 0.00 C ATOM 0 H LEU A 99 -6.423 1.155 18.349 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.303 2.647 20.742 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.950 3.439 18.266 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.636 4.527 19.603 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.365 3.118 18.147 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.121 5.176 16.787 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.688 4.390 16.482 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.603 5.835 17.517 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.071 5.034 19.049 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.554 5.692 19.780 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.888 4.145 20.356 1.00 0.00 H new ATOM 1532 N GLY A 100 -7.624 0.973 21.161 1.00 0.00 N ATOM 1533 CA GLY A 100 -8.880 0.660 21.903 1.00 0.00 C ATOM 1534 C GLY A 100 -8.533 0.271 23.346 1.00 0.00 C ATOM 1535 O GLY A 100 -8.696 -0.870 23.738 1.00 0.00 O ATOM 0 H GLY A 100 -7.001 0.180 21.011 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.544 1.524 21.897 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.412 -0.155 21.412 1.00 0.00 H new ATOM 1539 N GLN A 101 -8.059 1.207 24.143 1.00 0.00 N ATOM 1540 CA GLN A 101 -7.710 0.873 25.562 1.00 0.00 C ATOM 1541 C GLN A 101 -8.811 1.378 26.507 1.00 0.00 C ATOM 1542 O GLN A 101 -9.641 2.178 26.121 1.00 0.00 O ATOM 1543 CB GLN A 101 -6.386 1.591 25.847 1.00 0.00 C ATOM 1544 CG GLN A 101 -5.240 0.837 25.170 1.00 0.00 C ATOM 1545 CD GLN A 101 -4.071 1.798 24.920 1.00 0.00 C ATOM 1546 OE1 GLN A 101 -3.858 2.228 23.803 1.00 0.00 O ATOM 1547 NE2 GLN A 101 -3.297 2.160 25.914 1.00 0.00 N ATOM 0 H GLN A 101 -7.901 2.178 23.873 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.620 -0.202 25.716 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.429 2.616 25.478 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.214 1.646 26.922 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -4.915 0.008 25.799 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -5.580 0.408 24.227 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -3.472 1.802 26.853 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -2.520 2.800 25.749 1.00 0.00 H new ATOM 1556 N SER A 102 -8.833 0.916 27.745 1.00 0.00 N ATOM 1557 CA SER A 102 -9.890 1.370 28.710 1.00 0.00 C ATOM 1558 C SER A 102 -11.294 1.175 28.109 1.00 0.00 C ATOM 1559 O SER A 102 -12.168 2.001 28.292 1.00 0.00 O ATOM 1560 CB SER A 102 -9.610 2.856 28.951 1.00 0.00 C ATOM 1561 OG SER A 102 -10.379 3.304 30.060 1.00 0.00 O ATOM 0 H SER A 102 -8.164 0.246 28.124 1.00 0.00 H new ATOM 0 HA SER A 102 -9.863 0.797 29.637 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.548 3.012 29.143 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.861 3.434 28.062 1.00 0.00 H new ATOM 0 HG SER A 102 -11.324 3.095 29.908 1.00 0.00 H new ATOM 1567 N ASP A 103 -11.518 0.091 27.392 1.00 0.00 N ATOM 1568 CA ASP A 103 -12.863 -0.143 26.787 1.00 0.00 C ATOM 1569 C ASP A 103 -13.315 -1.589 27.044 1.00 0.00 C ATOM 1570 O ASP A 103 -13.878 -2.228 26.174 1.00 0.00 O ATOM 1571 CB ASP A 103 -12.670 0.099 25.289 1.00 0.00 C ATOM 1572 CG ASP A 103 -13.981 0.601 24.680 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -14.927 -0.169 24.644 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -14.016 1.745 24.259 1.00 0.00 O ATOM 0 H ASP A 103 -10.826 -0.635 27.204 1.00 0.00 H new ATOM 0 HA ASP A 103 -13.626 0.509 27.211 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.878 0.830 25.127 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.358 -0.823 24.798 1.00 0.00 H new ATOM 1579 N ILE A 104 -13.077 -2.114 28.230 1.00 0.00 N ATOM 1580 CA ILE A 104 -13.499 -3.517 28.527 1.00 0.00 C ATOM 1581 C ILE A 104 -14.206 -3.583 29.891 1.00 0.00 C ATOM 1582 O ILE A 104 -14.236 -2.611 30.623 1.00 0.00 O ATOM 1583 CB ILE A 104 -12.201 -4.334 28.548 1.00 0.00 C ATOM 1584 CG1 ILE A 104 -11.245 -3.773 29.608 1.00 0.00 C ATOM 1585 CG2 ILE A 104 -11.531 -4.260 27.175 1.00 0.00 C ATOM 1586 CD1 ILE A 104 -10.114 -4.772 29.855 1.00 0.00 C ATOM 0 H ILE A 104 -12.611 -1.630 28.997 1.00 0.00 H new ATOM 0 HA ILE A 104 -14.203 -3.899 27.788 1.00 0.00 H new ATOM 0 HB ILE A 104 -12.437 -5.371 28.789 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -10.836 -2.819 29.275 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -11.785 -3.582 30.535 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -10.608 -4.840 27.189 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -12.204 -4.666 26.419 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -11.303 -3.221 26.937 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.434 -4.373 30.608 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -10.532 -5.715 30.206 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -9.568 -4.940 28.927 1.00 0.00 H new ATOM 1598 N ALA A 105 -14.777 -4.719 30.242 1.00 0.00 N ATOM 1599 CA ALA A 105 -15.476 -4.831 31.557 1.00 0.00 C ATOM 1600 C ALA A 105 -15.117 -6.156 32.235 1.00 0.00 C ATOM 1601 O ALA A 105 -15.423 -6.301 33.407 1.00 0.00 O ATOM 1602 CB ALA A 105 -16.966 -4.788 31.219 1.00 0.00 C ATOM 1603 OXT ALA A 105 -14.541 -7.002 31.570 1.00 0.00 O ATOM 0 H ALA A 105 -14.786 -5.566 29.673 1.00 0.00 H new ATOM 0 HA ALA A 105 -15.192 -4.035 32.245 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -17.550 -4.865 32.136 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.199 -3.848 30.719 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.214 -5.620 30.560 1.00 0.00 H new TER 1609 ALA A 105