USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 779 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 39 SER OG : rot 170:sc= 0.991 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 179:sc= 0.791 (180deg=-0.368) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 176:sc= 2.22 (180deg=1.12) USER MOD Set 2.2: A 26 GLN : amide:sc= -1.15! C(o=1.1!,f=-12!) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.103 (180deg=-0.48) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0737) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.00093) USER MOD Single : A 5 HIS : no HD1:sc= -0.828 K(o=-0.83,f=-0.33) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.095) USER MOD Single : A 8 HIS : no HD1:sc=-0.00956 X(o=-0.0096,f=-0.00048) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= 1.17 (180deg=0.81) USER MOD Single : A 17 HIS : no HD1:sc= -2.87! C(o=-2.4!,f=-7.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.15) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -69:sc= 1.17 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.68 USER MOD Single : A 38 SER OG : rot 69:sc= 0.778 USER MOD Single : A 41 LYS NZ :NH3+ -145:sc= 1.27 (180deg=0.667) USER MOD Single : A 45 HIS : no HE2:sc= 0.222 K(o=0.22,f=-2.1!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 86:sc= 1.26 USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0151) USER MOD Single : A 55 MET CE :methyl 162:sc= -0.115 (180deg=-0.83) USER MOD Single : A 56 GLN : amide:sc= -3.1! K(o=-3.1!,f=-0.27) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -20:sc= 1.09 USER MOD Single : A 68 TYR OH : rot 67:sc= 1.23 USER MOD Single : A 70 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.3) USER MOD Single : A 72 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.29) USER MOD Single : A 74 TYR OH : rot 27:sc= -0.0457 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.253 USER MOD Single : A 80 SER OG : rot 26:sc= -0.687 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.255 -13.301 0.368 1.00 0.00 N ATOM 2 CA MET A 1 -9.574 -14.737 0.517 1.00 0.00 C ATOM 3 C MET A 1 -10.810 -15.078 -0.298 1.00 0.00 C ATOM 4 O MET A 1 -11.909 -14.612 0.002 1.00 0.00 O ATOM 5 CB MET A 1 -9.807 -15.095 1.990 1.00 0.00 C ATOM 6 CG MET A 1 -8.585 -14.896 2.875 1.00 0.00 C ATOM 7 SD MET A 1 -7.183 -15.915 2.372 1.00 0.00 S ATOM 8 CE MET A 1 -7.849 -17.562 2.617 1.00 0.00 C ATOM 0 H1 MET A 1 -8.345 -13.098 0.829 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.192 -13.062 -0.642 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.003 -12.731 0.812 1.00 0.00 H new ATOM 0 HA MET A 1 -8.727 -15.317 0.152 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.626 -14.487 2.376 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.124 -16.136 2.055 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.292 -13.846 2.851 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.847 -15.131 3.907 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.032 -18.282 2.662 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.411 -17.592 3.551 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.510 -17.814 1.788 1.00 0.00 H new ATOM 20 N GLY A 2 -10.624 -15.876 -1.337 1.00 0.00 N ATOM 21 CA GLY A 2 -11.725 -16.248 -2.198 1.00 0.00 C ATOM 22 C GLY A 2 -11.758 -15.416 -3.463 1.00 0.00 C ATOM 23 O GLY A 2 -11.220 -14.307 -3.501 1.00 0.00 O ATOM 0 H GLY A 2 -9.723 -16.275 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -11.641 -17.303 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -12.665 -16.127 -1.659 1.00 0.00 H new ATOM 27 N HIS A 3 -12.373 -15.949 -4.506 1.00 0.00 N ATOM 28 CA HIS A 3 -12.483 -15.239 -5.776 1.00 0.00 C ATOM 29 C HIS A 3 -13.933 -15.158 -6.224 1.00 0.00 C ATOM 30 O HIS A 3 -14.223 -15.014 -7.414 1.00 0.00 O ATOM 31 CB HIS A 3 -11.637 -15.924 -6.855 1.00 0.00 C ATOM 32 CG HIS A 3 -10.161 -15.771 -6.652 1.00 0.00 C ATOM 33 ND1 HIS A 3 -9.317 -16.834 -6.421 1.00 0.00 N ATOM 34 CD2 HIS A 3 -9.377 -14.665 -6.647 1.00 0.00 C ATOM 35 CE1 HIS A 3 -8.080 -16.393 -6.279 1.00 0.00 C ATOM 36 NE2 HIS A 3 -8.090 -15.082 -6.412 1.00 0.00 N ATOM 0 H HIS A 3 -12.806 -16.873 -4.501 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.107 -14.227 -5.628 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.883 -16.986 -6.877 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.905 -15.514 -7.829 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.703 -13.647 -6.799 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.209 -17.003 -6.087 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.273 -14.475 -6.350 1.00 0.00 H new ATOM 45 N HIS A 4 -14.846 -15.235 -5.263 1.00 0.00 N ATOM 46 CA HIS A 4 -16.270 -15.143 -5.561 1.00 0.00 C ATOM 47 C HIS A 4 -16.605 -13.728 -6.009 1.00 0.00 C ATOM 48 O HIS A 4 -16.413 -12.771 -5.252 1.00 0.00 O ATOM 49 CB HIS A 4 -17.121 -15.495 -4.336 1.00 0.00 C ATOM 50 CG HIS A 4 -16.802 -16.817 -3.712 1.00 0.00 C ATOM 51 ND1 HIS A 4 -16.528 -16.959 -2.372 1.00 0.00 N ATOM 52 CD2 HIS A 4 -16.733 -18.060 -4.244 1.00 0.00 C ATOM 53 CE1 HIS A 4 -16.299 -18.230 -2.104 1.00 0.00 C ATOM 54 NE2 HIS A 4 -16.417 -18.923 -3.221 1.00 0.00 N ATOM 0 H HIS A 4 -14.627 -15.360 -4.275 1.00 0.00 H new ATOM 0 HA HIS A 4 -16.495 -15.856 -6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.994 -14.714 -3.586 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -18.172 -15.490 -4.627 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -16.896 -18.324 -5.278 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.056 -18.636 -1.133 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -16.294 -19.932 -3.311 1.00 0.00 H new ATOM 63 N HIS A 5 -17.091 -13.593 -7.233 1.00 0.00 N ATOM 64 CA HIS A 5 -17.437 -12.281 -7.756 1.00 0.00 C ATOM 65 C HIS A 5 -18.766 -11.803 -7.170 1.00 0.00 C ATOM 66 O HIS A 5 -19.837 -12.026 -7.730 1.00 0.00 O ATOM 67 CB HIS A 5 -17.452 -12.261 -9.299 1.00 0.00 C ATOM 68 CG HIS A 5 -18.443 -13.186 -9.947 1.00 0.00 C ATOM 69 ND1 HIS A 5 -19.534 -12.741 -10.665 1.00 0.00 N ATOM 70 CD2 HIS A 5 -18.491 -14.538 -10.000 1.00 0.00 C ATOM 71 CE1 HIS A 5 -20.207 -13.775 -11.123 1.00 0.00 C ATOM 72 NE2 HIS A 5 -19.598 -14.878 -10.735 1.00 0.00 N ATOM 0 H HIS A 5 -17.253 -14.367 -7.877 1.00 0.00 H new ATOM 0 HA HIS A 5 -16.660 -11.582 -7.445 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -17.660 -11.244 -9.630 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -16.455 -12.515 -9.658 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -17.788 -15.222 -9.548 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -21.108 -13.728 -11.717 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -19.901 -15.829 -10.947 1.00 0.00 H new ATOM 81 N HIS A 6 -18.680 -11.204 -5.993 1.00 0.00 N ATOM 82 CA HIS A 6 -19.835 -10.617 -5.331 1.00 0.00 C ATOM 83 C HIS A 6 -19.403 -9.391 -4.546 1.00 0.00 C ATOM 84 O HIS A 6 -18.793 -9.510 -3.484 1.00 0.00 O ATOM 85 CB HIS A 6 -20.517 -11.613 -4.383 1.00 0.00 C ATOM 86 CG HIS A 6 -21.327 -12.662 -5.077 1.00 0.00 C ATOM 87 ND1 HIS A 6 -22.627 -12.459 -5.487 1.00 0.00 N ATOM 88 CD2 HIS A 6 -21.012 -13.924 -5.441 1.00 0.00 C ATOM 89 CE1 HIS A 6 -23.075 -13.552 -6.074 1.00 0.00 C ATOM 90 NE2 HIS A 6 -22.114 -14.457 -6.059 1.00 0.00 N ATOM 0 H HIS A 6 -17.809 -11.111 -5.470 1.00 0.00 H new ATOM 0 HA HIS A 6 -20.554 -10.339 -6.102 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -19.754 -12.101 -3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -21.164 -11.063 -3.700 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -20.067 -14.421 -5.276 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -24.061 -13.684 -6.495 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -22.180 -15.399 -6.444 1.00 0.00 H new ATOM 99 N HIS A 7 -19.704 -8.220 -5.077 1.00 0.00 N ATOM 100 CA HIS A 7 -19.365 -6.980 -4.402 1.00 0.00 C ATOM 101 C HIS A 7 -20.622 -6.152 -4.167 1.00 0.00 C ATOM 102 O HIS A 7 -21.162 -5.528 -5.078 1.00 0.00 O ATOM 103 CB HIS A 7 -18.290 -6.186 -5.171 1.00 0.00 C ATOM 104 CG HIS A 7 -18.619 -5.876 -6.603 1.00 0.00 C ATOM 105 ND1 HIS A 7 -18.330 -6.731 -7.643 1.00 0.00 N ATOM 106 CD2 HIS A 7 -19.196 -4.786 -7.166 1.00 0.00 C ATOM 107 CE1 HIS A 7 -18.713 -6.180 -8.780 1.00 0.00 C ATOM 108 NE2 HIS A 7 -19.242 -5.002 -8.518 1.00 0.00 N ATOM 0 H HIS A 7 -20.181 -8.101 -5.971 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.932 -7.225 -3.432 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -18.111 -5.248 -4.646 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.358 -6.750 -5.144 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.553 -3.910 -6.645 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -18.610 -6.621 -9.761 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -19.624 -4.356 -9.209 1.00 0.00 H new ATOM 117 N HIS A 8 -21.100 -6.196 -2.935 1.00 0.00 N ATOM 118 CA HIS A 8 -22.313 -5.494 -2.550 1.00 0.00 C ATOM 119 C HIS A 8 -22.178 -4.957 -1.133 1.00 0.00 C ATOM 120 O HIS A 8 -21.772 -5.677 -0.219 1.00 0.00 O ATOM 121 CB HIS A 8 -23.537 -6.418 -2.667 1.00 0.00 C ATOM 122 CG HIS A 8 -23.470 -7.651 -1.813 1.00 0.00 C ATOM 123 ND1 HIS A 8 -24.226 -7.817 -0.675 1.00 0.00 N ATOM 124 CD2 HIS A 8 -22.738 -8.783 -1.944 1.00 0.00 C ATOM 125 CE1 HIS A 8 -23.960 -8.994 -0.138 1.00 0.00 C ATOM 126 NE2 HIS A 8 -23.061 -9.602 -0.891 1.00 0.00 N ATOM 0 H HIS A 8 -20.661 -6.717 -2.176 1.00 0.00 H new ATOM 0 HA HIS A 8 -22.460 -4.654 -3.229 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -24.430 -5.853 -2.398 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -23.651 -6.718 -3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -22.031 -9.001 -2.731 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -24.402 -9.392 0.763 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -22.671 -10.528 -0.718 1.00 0.00 H new ATOM 135 N SER A 9 -22.495 -3.690 -0.956 1.00 0.00 N ATOM 136 CA SER A 9 -22.365 -3.050 0.336 1.00 0.00 C ATOM 137 C SER A 9 -23.584 -2.187 0.637 1.00 0.00 C ATOM 138 O SER A 9 -23.983 -1.346 -0.170 1.00 0.00 O ATOM 139 CB SER A 9 -21.087 -2.206 0.373 1.00 0.00 C ATOM 140 OG SER A 9 -19.951 -2.997 0.050 1.00 0.00 O ATOM 0 H SER A 9 -22.846 -3.081 -1.695 1.00 0.00 H new ATOM 0 HA SER A 9 -22.301 -3.822 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 9 -21.172 -1.378 -0.331 1.00 0.00 H new ATOM 0 HB3 SER A 9 -20.962 -1.770 1.364 1.00 0.00 H new ATOM 0 HG SER A 9 -19.146 -2.439 0.078 1.00 0.00 H new ATOM 146 N HIS A 10 -24.195 -2.431 1.787 1.00 0.00 N ATOM 147 CA HIS A 10 -25.279 -1.591 2.266 1.00 0.00 C ATOM 148 C HIS A 10 -24.686 -0.366 2.950 1.00 0.00 C ATOM 149 O HIS A 10 -25.335 0.674 3.086 1.00 0.00 O ATOM 150 CB HIS A 10 -26.175 -2.377 3.232 1.00 0.00 C ATOM 151 CG HIS A 10 -27.438 -1.664 3.614 1.00 0.00 C ATOM 152 ND1 HIS A 10 -28.616 -1.802 2.916 1.00 0.00 N ATOM 153 CD2 HIS A 10 -27.705 -0.813 4.632 1.00 0.00 C ATOM 154 CE1 HIS A 10 -29.552 -1.068 3.486 1.00 0.00 C ATOM 155 NE2 HIS A 10 -29.027 -0.458 4.534 1.00 0.00 N ATOM 0 H HIS A 10 -23.957 -3.206 2.406 1.00 0.00 H new ATOM 0 HA HIS A 10 -25.897 -1.270 1.427 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -26.434 -3.332 2.775 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -25.609 -2.600 4.136 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -27.006 -0.475 5.383 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -30.575 -0.980 3.152 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -29.522 0.172 5.165 1.00 0.00 H new ATOM 164 N ALA A 11 -23.437 -0.507 3.375 1.00 0.00 N ATOM 165 CA ALA A 11 -22.691 0.592 3.960 1.00 0.00 C ATOM 166 C ALA A 11 -22.042 1.418 2.859 1.00 0.00 C ATOM 167 O ALA A 11 -21.448 0.868 1.932 1.00 0.00 O ATOM 168 CB ALA A 11 -21.639 0.058 4.921 1.00 0.00 C ATOM 0 H ALA A 11 -22.917 -1.383 3.323 1.00 0.00 H new ATOM 0 HA ALA A 11 -23.374 1.231 4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -21.085 0.891 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -22.126 -0.507 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -20.951 -0.594 4.382 1.00 0.00 H new ATOM 174 N ALA A 12 -22.166 2.732 2.957 1.00 0.00 N ATOM 175 CA ALA A 12 -21.620 3.623 1.947 1.00 0.00 C ATOM 176 C ALA A 12 -20.162 3.950 2.240 1.00 0.00 C ATOM 177 O ALA A 12 -19.844 4.571 3.260 1.00 0.00 O ATOM 178 CB ALA A 12 -22.448 4.895 1.867 1.00 0.00 C ATOM 0 H ALA A 12 -22.640 3.205 3.726 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.663 3.116 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -22.029 5.555 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -23.476 4.644 1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -22.434 5.400 2.833 1.00 0.00 H new ATOM 184 N VAL A 13 -19.281 3.514 1.354 1.00 0.00 N ATOM 185 CA VAL A 13 -17.860 3.777 1.486 1.00 0.00 C ATOM 186 C VAL A 13 -17.206 3.801 0.107 1.00 0.00 C ATOM 187 O VAL A 13 -17.578 3.029 -0.783 1.00 0.00 O ATOM 188 CB VAL A 13 -17.170 2.725 2.393 1.00 0.00 C ATOM 189 CG1 VAL A 13 -17.307 1.323 1.812 1.00 0.00 C ATOM 190 CG2 VAL A 13 -15.704 3.079 2.620 1.00 0.00 C ATOM 0 H VAL A 13 -19.531 2.971 0.528 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.738 4.751 1.959 1.00 0.00 H new ATOM 0 HB VAL A 13 -17.674 2.736 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.814 0.607 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -18.363 1.067 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.842 1.291 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.243 2.326 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.185 3.110 1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -15.636 4.055 3.101 1.00 0.00 H new ATOM 200 N ARG A 14 -16.268 4.714 -0.079 1.00 0.00 N ATOM 201 CA ARG A 14 -15.529 4.806 -1.322 1.00 0.00 C ATOM 202 C ARG A 14 -14.163 4.170 -1.156 1.00 0.00 C ATOM 203 O ARG A 14 -13.395 4.547 -0.263 1.00 0.00 O ATOM 204 CB ARG A 14 -15.366 6.254 -1.767 1.00 0.00 C ATOM 205 CG ARG A 14 -16.677 6.952 -2.067 1.00 0.00 C ATOM 206 CD ARG A 14 -16.457 8.133 -2.986 1.00 0.00 C ATOM 207 NE ARG A 14 -17.665 8.934 -3.163 1.00 0.00 N ATOM 208 CZ ARG A 14 -18.102 9.374 -4.342 1.00 0.00 C ATOM 209 NH1 ARG A 14 -17.458 9.046 -5.458 1.00 0.00 N ATOM 210 NH2 ARG A 14 -19.180 10.146 -4.404 1.00 0.00 N ATOM 0 H ARG A 14 -16.001 5.405 0.622 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.094 4.276 -2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -14.841 6.807 -0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.738 6.282 -2.657 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.371 6.250 -2.529 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -17.136 7.289 -1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -15.664 8.762 -2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -16.116 7.775 -3.958 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.208 9.171 -2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -16.627 8.456 -5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.795 9.384 -6.359 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -19.674 10.402 -3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -19.515 10.483 -5.307 1.00 0.00 H new ATOM 224 N LYS A 15 -13.872 3.198 -2.002 1.00 0.00 N ATOM 225 CA LYS A 15 -12.576 2.543 -1.994 1.00 0.00 C ATOM 226 C LYS A 15 -11.537 3.506 -2.551 1.00 0.00 C ATOM 227 O LYS A 15 -11.807 4.223 -3.513 1.00 0.00 O ATOM 228 CB LYS A 15 -12.601 1.245 -2.818 1.00 0.00 C ATOM 229 CG LYS A 15 -13.358 0.082 -2.168 1.00 0.00 C ATOM 230 CD LYS A 15 -14.828 0.403 -1.923 1.00 0.00 C ATOM 231 CE LYS A 15 -15.630 -0.827 -1.510 1.00 0.00 C ATOM 232 NZ LYS A 15 -15.044 -1.530 -0.336 1.00 0.00 N ATOM 0 H LYS A 15 -14.519 2.843 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.321 2.272 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.052 1.456 -3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.574 0.931 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.284 -0.798 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.883 -0.172 -1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.907 1.163 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.260 0.828 -2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.651 -0.527 -1.276 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.686 -1.518 -2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.802 -1.991 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.367 -2.248 -0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.553 -0.843 0.271 1.00 0.00 H new ATOM 246 N ILE A 16 -10.361 3.528 -1.955 1.00 0.00 N ATOM 247 CA ILE A 16 -9.378 4.541 -2.290 1.00 0.00 C ATOM 248 C ILE A 16 -8.363 4.020 -3.293 1.00 0.00 C ATOM 249 O ILE A 16 -8.017 2.835 -3.300 1.00 0.00 O ATOM 250 CB ILE A 16 -8.652 5.083 -1.039 1.00 0.00 C ATOM 251 CG1 ILE A 16 -7.965 3.953 -0.272 1.00 0.00 C ATOM 252 CG2 ILE A 16 -9.640 5.815 -0.144 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.191 4.429 0.937 1.00 0.00 C ATOM 0 H ILE A 16 -10.064 2.862 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.928 5.365 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.881 5.783 -1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.717 3.232 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.287 3.428 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.121 6.195 0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.080 6.647 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.427 5.128 0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.730 3.575 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.416 5.127 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.869 4.928 1.629 1.00 0.00 H new ATOM 265 N HIS A 17 -7.915 4.911 -4.157 1.00 0.00 N ATOM 266 CA HIS A 17 -6.956 4.568 -5.189 1.00 0.00 C ATOM 267 C HIS A 17 -5.557 4.970 -4.762 1.00 0.00 C ATOM 268 O HIS A 17 -5.201 6.146 -4.801 1.00 0.00 O ATOM 269 CB HIS A 17 -7.321 5.265 -6.500 1.00 0.00 C ATOM 270 CG HIS A 17 -8.675 4.887 -7.007 1.00 0.00 C ATOM 271 ND1 HIS A 17 -9.825 5.565 -6.667 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.059 3.880 -7.817 1.00 0.00 C ATOM 273 CE1 HIS A 17 -10.859 4.986 -7.246 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.423 3.957 -7.952 1.00 0.00 N ATOM 0 H HIS A 17 -8.204 5.889 -4.163 1.00 0.00 H new ATOM 0 HA HIS A 17 -6.981 3.489 -5.342 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.283 6.344 -6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.575 5.019 -7.256 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.412 3.147 -8.276 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -11.889 5.300 -7.158 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -11.003 3.326 -8.505 1.00 0.00 H new ATOM 283 N VAL A 18 -4.775 3.997 -4.338 1.00 0.00 N ATOM 284 CA VAL A 18 -3.414 4.264 -3.905 1.00 0.00 C ATOM 285 C VAL A 18 -2.460 4.234 -5.092 1.00 0.00 C ATOM 286 O VAL A 18 -2.536 3.349 -5.947 1.00 0.00 O ATOM 287 CB VAL A 18 -2.939 3.256 -2.836 1.00 0.00 C ATOM 288 CG1 VAL A 18 -3.823 3.337 -1.601 1.00 0.00 C ATOM 289 CG2 VAL A 18 -2.916 1.841 -3.400 1.00 0.00 C ATOM 0 H VAL A 18 -5.055 3.018 -4.283 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.411 5.258 -3.458 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.921 3.515 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.475 2.620 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.776 4.343 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.852 3.105 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.578 1.148 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.919 1.562 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.235 1.799 -4.250 1.00 0.00 H new ATOM 299 N THR A 19 -1.581 5.213 -5.155 1.00 0.00 N ATOM 300 CA THR A 19 -0.589 5.259 -6.207 1.00 0.00 C ATOM 301 C THR A 19 0.670 4.536 -5.752 1.00 0.00 C ATOM 302 O THR A 19 1.381 5.016 -4.874 1.00 0.00 O ATOM 303 CB THR A 19 -0.244 6.707 -6.575 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.445 7.434 -6.863 1.00 0.00 O ATOM 305 CG2 THR A 19 0.684 6.753 -7.776 1.00 0.00 C ATOM 0 H THR A 19 -1.534 5.986 -4.491 1.00 0.00 H new ATOM 0 HA THR A 19 -1.000 4.768 -7.089 1.00 0.00 H new ATOM 0 HB THR A 19 0.265 7.166 -5.727 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.220 8.359 -7.096 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.915 7.790 -8.018 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.607 6.221 -7.544 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.198 6.281 -8.630 1.00 0.00 H new ATOM 313 N VAL A 20 0.937 3.389 -6.345 1.00 0.00 N ATOM 314 CA VAL A 20 2.061 2.564 -5.940 1.00 0.00 C ATOM 315 C VAL A 20 3.287 2.899 -6.776 1.00 0.00 C ATOM 316 O VAL A 20 3.317 2.653 -7.984 1.00 0.00 O ATOM 317 CB VAL A 20 1.725 1.066 -6.070 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.865 0.212 -5.550 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.437 0.745 -5.330 1.00 0.00 C ATOM 0 H VAL A 20 0.388 3.004 -7.114 1.00 0.00 H new ATOM 0 HA VAL A 20 2.275 2.775 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 20 1.584 0.837 -7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.606 -0.842 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.767 0.421 -6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.042 0.442 -4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.214 -0.317 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.552 0.992 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.380 1.329 -5.752 1.00 0.00 H new ATOM 329 N LYS A 21 4.282 3.483 -6.131 1.00 0.00 N ATOM 330 CA LYS A 21 5.494 3.903 -6.813 1.00 0.00 C ATOM 331 C LYS A 21 6.601 2.872 -6.656 1.00 0.00 C ATOM 332 O LYS A 21 7.152 2.706 -5.571 1.00 0.00 O ATOM 333 CB LYS A 21 5.978 5.242 -6.259 1.00 0.00 C ATOM 334 CG LYS A 21 4.971 6.367 -6.393 1.00 0.00 C ATOM 335 CD LYS A 21 5.505 7.650 -5.783 1.00 0.00 C ATOM 336 CE LYS A 21 4.498 8.778 -5.893 1.00 0.00 C ATOM 337 NZ LYS A 21 4.269 9.192 -7.301 1.00 0.00 N ATOM 0 H LYS A 21 4.274 3.678 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 21 5.256 4.006 -7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.230 5.118 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.895 5.526 -6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.740 6.529 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.039 6.087 -5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.751 7.481 -4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.429 7.936 -6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.553 8.463 -5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.850 9.634 -5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.525 9.918 -7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.149 9.581 -7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.973 8.368 -7.861 1.00 0.00 H new ATOM 351 N PHE A 22 6.910 2.183 -7.737 1.00 0.00 N ATOM 352 CA PHE A 22 8.046 1.280 -7.770 1.00 0.00 C ATOM 353 C PHE A 22 9.206 1.955 -8.490 1.00 0.00 C ATOM 354 O PHE A 22 8.999 2.839 -9.320 1.00 0.00 O ATOM 355 CB PHE A 22 7.684 -0.032 -8.480 1.00 0.00 C ATOM 356 CG PHE A 22 7.115 -1.088 -7.570 1.00 0.00 C ATOM 357 CD1 PHE A 22 5.765 -1.111 -7.257 1.00 0.00 C ATOM 358 CD2 PHE A 22 7.939 -2.066 -7.033 1.00 0.00 C ATOM 359 CE1 PHE A 22 5.250 -2.089 -6.424 1.00 0.00 C ATOM 360 CE2 PHE A 22 7.428 -3.042 -6.201 1.00 0.00 C ATOM 361 CZ PHE A 22 6.083 -3.055 -5.897 1.00 0.00 C ATOM 0 H PHE A 22 6.386 2.232 -8.611 1.00 0.00 H new ATOM 0 HA PHE A 22 8.334 1.044 -6.746 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.961 0.181 -9.268 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.576 -0.428 -8.965 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.108 -0.358 -7.667 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.993 -2.064 -7.269 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.196 -2.096 -6.186 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.082 -3.796 -5.788 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.682 -3.820 -5.248 1.00 0.00 H new ATOM 371 N PRO A 23 10.447 1.554 -8.190 1.00 0.00 N ATOM 372 CA PRO A 23 11.635 2.108 -8.848 1.00 0.00 C ATOM 373 C PRO A 23 11.666 1.811 -10.349 1.00 0.00 C ATOM 374 O PRO A 23 12.426 2.427 -11.096 1.00 0.00 O ATOM 375 CB PRO A 23 12.808 1.414 -8.140 1.00 0.00 C ATOM 376 CG PRO A 23 12.237 0.878 -6.873 1.00 0.00 C ATOM 377 CD PRO A 23 10.803 0.556 -7.169 1.00 0.00 C ATOM 0 HA PRO A 23 11.663 3.195 -8.772 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.222 0.615 -8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.618 2.115 -7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.777 -0.011 -6.547 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.314 1.611 -6.070 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.686 -0.462 -7.541 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.177 0.645 -6.281 1.00 0.00 H new ATOM 385 N SER A 24 10.835 0.873 -10.789 1.00 0.00 N ATOM 386 CA SER A 24 10.838 0.451 -12.184 1.00 0.00 C ATOM 387 C SER A 24 9.507 0.756 -12.881 1.00 0.00 C ATOM 388 O SER A 24 9.414 0.664 -14.107 1.00 0.00 O ATOM 389 CB SER A 24 11.135 -1.046 -12.262 1.00 0.00 C ATOM 390 OG SER A 24 12.249 -1.381 -11.451 1.00 0.00 O ATOM 0 H SER A 24 10.153 0.392 -10.202 1.00 0.00 H new ATOM 0 HA SER A 24 11.614 1.015 -12.702 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.261 -1.612 -11.939 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.334 -1.329 -13.296 1.00 0.00 H new ATOM 0 HG SER A 24 12.421 -2.344 -11.514 1.00 0.00 H new ATOM 396 N LYS A 25 8.488 1.125 -12.108 1.00 0.00 N ATOM 397 CA LYS A 25 7.153 1.356 -12.663 1.00 0.00 C ATOM 398 C LYS A 25 6.268 2.093 -11.664 1.00 0.00 C ATOM 399 O LYS A 25 6.643 2.283 -10.514 1.00 0.00 O ATOM 400 CB LYS A 25 6.486 0.025 -13.029 1.00 0.00 C ATOM 401 CG LYS A 25 6.244 -0.874 -11.824 1.00 0.00 C ATOM 402 CD LYS A 25 5.451 -2.123 -12.182 1.00 0.00 C ATOM 403 CE LYS A 25 6.156 -2.982 -13.224 1.00 0.00 C ATOM 404 NZ LYS A 25 5.454 -4.275 -13.434 1.00 0.00 N ATOM 0 H LYS A 25 8.558 1.270 -11.101 1.00 0.00 H new ATOM 0 HA LYS A 25 7.270 1.967 -13.558 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.535 0.226 -13.522 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.112 -0.503 -13.748 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.202 -1.166 -11.394 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.708 -0.314 -11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.284 -2.714 -11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.471 -1.832 -12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.210 -2.439 -14.168 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.181 -3.172 -12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.773 -4.702 -14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.669 -4.919 -12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.428 -4.110 -13.477 1.00 0.00 H new ATOM 418 N GLN A 26 5.083 2.479 -12.104 1.00 0.00 N ATOM 419 CA GLN A 26 4.108 3.114 -11.229 1.00 0.00 C ATOM 420 C GLN A 26 2.696 2.757 -11.680 1.00 0.00 C ATOM 421 O GLN A 26 2.341 2.931 -12.846 1.00 0.00 O ATOM 422 CB GLN A 26 4.295 4.638 -11.201 1.00 0.00 C ATOM 423 CG GLN A 26 3.279 5.358 -10.322 1.00 0.00 C ATOM 424 CD GLN A 26 3.540 6.848 -10.200 1.00 0.00 C ATOM 425 OE1 GLN A 26 4.234 7.302 -9.291 1.00 0.00 O ATOM 426 NE2 GLN A 26 2.990 7.617 -11.120 1.00 0.00 N ATOM 0 H GLN A 26 4.770 2.364 -13.068 1.00 0.00 H new ATOM 0 HA GLN A 26 4.263 2.743 -10.216 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.299 4.867 -10.844 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.222 5.024 -12.218 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.281 5.203 -10.731 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.288 4.912 -9.328 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.421 7.202 -11.858 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.134 8.626 -11.093 1.00 0.00 H new ATOM 435 N PHE A 27 1.900 2.245 -10.753 1.00 0.00 N ATOM 436 CA PHE A 27 0.536 1.837 -11.052 1.00 0.00 C ATOM 437 C PHE A 27 -0.389 2.199 -9.898 1.00 0.00 C ATOM 438 O PHE A 27 0.062 2.688 -8.863 1.00 0.00 O ATOM 439 CB PHE A 27 0.473 0.330 -11.346 1.00 0.00 C ATOM 440 CG PHE A 27 1.014 -0.546 -10.246 1.00 0.00 C ATOM 441 CD1 PHE A 27 0.190 -0.988 -9.222 1.00 0.00 C ATOM 442 CD2 PHE A 27 2.343 -0.935 -10.243 1.00 0.00 C ATOM 443 CE1 PHE A 27 0.682 -1.798 -8.215 1.00 0.00 C ATOM 444 CE2 PHE A 27 2.841 -1.745 -9.240 1.00 0.00 C ATOM 445 CZ PHE A 27 2.010 -2.177 -8.224 1.00 0.00 C ATOM 0 H PHE A 27 2.178 2.102 -9.782 1.00 0.00 H new ATOM 0 HA PHE A 27 0.203 2.370 -11.942 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.564 0.053 -11.536 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.030 0.128 -12.261 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.850 -0.696 -9.211 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.998 -0.601 -11.034 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.029 -2.134 -7.423 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.880 -2.040 -9.250 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.398 -2.809 -7.439 1.00 0.00 H new ATOM 455 N THR A 28 -1.678 1.972 -10.078 1.00 0.00 N ATOM 456 CA THR A 28 -2.653 2.290 -9.050 1.00 0.00 C ATOM 457 C THR A 28 -3.370 1.025 -8.594 1.00 0.00 C ATOM 458 O THR A 28 -3.623 0.127 -9.396 1.00 0.00 O ATOM 459 CB THR A 28 -3.688 3.297 -9.574 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.047 4.233 -10.450 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.347 4.054 -8.432 1.00 0.00 C ATOM 0 H THR A 28 -2.074 1.568 -10.927 1.00 0.00 H new ATOM 0 HA THR A 28 -2.122 2.732 -8.207 1.00 0.00 H new ATOM 0 HB THR A 28 -4.457 2.743 -10.112 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.709 4.874 -10.785 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.074 4.759 -8.835 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.852 3.349 -7.772 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.588 4.598 -7.870 1.00 0.00 H new ATOM 469 N VAL A 29 -3.675 0.950 -7.308 1.00 0.00 N ATOM 470 CA VAL A 29 -4.400 -0.191 -6.762 1.00 0.00 C ATOM 471 C VAL A 29 -5.640 0.289 -6.016 1.00 0.00 C ATOM 472 O VAL A 29 -5.583 1.275 -5.278 1.00 0.00 O ATOM 473 CB VAL A 29 -3.517 -1.019 -5.798 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.238 -2.277 -5.342 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.196 -1.386 -6.447 1.00 0.00 C ATOM 0 H VAL A 29 -3.433 1.664 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.688 -0.828 -7.598 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.315 -0.398 -4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.595 -2.840 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.157 -2.002 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.480 -2.892 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.596 -1.967 -5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.383 -1.978 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.659 -0.477 -6.718 1.00 0.00 H new ATOM 485 N GLU A 30 -6.761 -0.386 -6.227 1.00 0.00 N ATOM 486 CA GLU A 30 -7.989 -0.036 -5.531 1.00 0.00 C ATOM 487 C GLU A 30 -8.132 -0.857 -4.273 1.00 0.00 C ATOM 488 O GLU A 30 -8.288 -2.078 -4.314 1.00 0.00 O ATOM 489 CB GLU A 30 -9.207 -0.230 -6.423 1.00 0.00 C ATOM 490 CG GLU A 30 -9.131 0.597 -7.689 1.00 0.00 C ATOM 491 CD GLU A 30 -10.355 0.472 -8.569 1.00 0.00 C ATOM 492 OE1 GLU A 30 -10.497 -0.559 -9.257 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.164 1.426 -8.602 1.00 0.00 O ATOM 0 H GLU A 30 -6.845 -1.173 -6.870 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.931 1.019 -5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.298 -1.284 -6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.106 0.039 -5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.992 1.644 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.252 0.294 -8.258 1.00 0.00 H new ATOM 500 N VAL A 31 -8.062 -0.174 -3.156 1.00 0.00 N ATOM 501 CA VAL A 31 -8.167 -0.811 -1.856 1.00 0.00 C ATOM 502 C VAL A 31 -9.166 -0.056 -0.990 1.00 0.00 C ATOM 503 O VAL A 31 -9.344 1.149 -1.144 1.00 0.00 O ATOM 504 CB VAL A 31 -6.794 -0.881 -1.146 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.836 -1.773 -1.920 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.206 0.510 -0.982 1.00 0.00 C ATOM 0 H VAL A 31 -7.931 0.837 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.516 -1.833 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.943 -1.312 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.876 -1.809 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.250 -2.779 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.694 -1.371 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.241 0.440 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.073 0.967 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.881 1.122 -0.385 1.00 0.00 H new ATOM 516 N ASP A 32 -9.847 -0.768 -0.115 1.00 0.00 N ATOM 517 CA ASP A 32 -10.823 -0.137 0.768 1.00 0.00 C ATOM 518 C ASP A 32 -10.132 0.758 1.796 1.00 0.00 C ATOM 519 O ASP A 32 -8.938 0.622 2.059 1.00 0.00 O ATOM 520 CB ASP A 32 -11.681 -1.185 1.481 1.00 0.00 C ATOM 521 CG ASP A 32 -12.839 -0.554 2.226 1.00 0.00 C ATOM 522 OD1 ASP A 32 -13.881 -0.301 1.595 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.694 -0.277 3.432 1.00 0.00 O ATOM 0 H ASP A 32 -9.748 -1.776 0.008 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.474 0.480 0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.064 -1.898 0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.062 -1.746 2.181 1.00 0.00 H new ATOM 528 N ARG A 33 -10.894 1.665 2.384 1.00 0.00 N ATOM 529 CA ARG A 33 -10.358 2.609 3.348 1.00 0.00 C ATOM 530 C ARG A 33 -10.063 1.904 4.670 1.00 0.00 C ATOM 531 O ARG A 33 -9.190 2.316 5.437 1.00 0.00 O ATOM 532 CB ARG A 33 -11.362 3.740 3.548 1.00 0.00 C ATOM 533 CG ARG A 33 -10.753 5.032 4.059 1.00 0.00 C ATOM 534 CD ARG A 33 -11.726 6.181 3.875 1.00 0.00 C ATOM 535 NE ARG A 33 -12.242 6.218 2.504 1.00 0.00 N ATOM 536 CZ ARG A 33 -12.596 7.324 1.857 1.00 0.00 C ATOM 537 NH1 ARG A 33 -12.500 8.508 2.440 1.00 0.00 N ATOM 538 NH2 ARG A 33 -13.058 7.240 0.617 1.00 0.00 N ATOM 0 H ARG A 33 -11.894 1.767 2.208 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.422 3.025 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.862 3.938 2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.128 3.410 4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.496 4.929 5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.827 5.242 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.554 6.077 4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.229 7.123 4.106 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.336 5.331 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.151 8.579 3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.775 9.350 1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.140 6.330 0.164 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.331 8.086 0.116 1.00 0.00 H new ATOM 552 N THR A 34 -10.788 0.823 4.923 1.00 0.00 N ATOM 553 CA THR A 34 -10.594 0.039 6.130 1.00 0.00 C ATOM 554 C THR A 34 -9.739 -1.189 5.838 1.00 0.00 C ATOM 555 O THR A 34 -9.671 -2.119 6.640 1.00 0.00 O ATOM 556 CB THR A 34 -11.939 -0.405 6.743 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.673 -1.225 5.819 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.777 0.802 7.133 1.00 0.00 C ATOM 0 H THR A 34 -11.518 0.470 4.304 1.00 0.00 H new ATOM 0 HA THR A 34 -10.082 0.677 6.851 1.00 0.00 H new ATOM 0 HB THR A 34 -11.721 -0.988 7.638 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.979 -0.677 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.721 0.466 7.563 1.00 0.00 H new ATOM 0 HG22 THR A 34 -12.236 1.399 7.867 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.976 1.408 6.249 1.00 0.00 H new ATOM 566 N GLU A 35 -9.098 -1.191 4.675 1.00 0.00 N ATOM 567 CA GLU A 35 -8.227 -2.288 4.288 1.00 0.00 C ATOM 568 C GLU A 35 -6.975 -2.292 5.166 1.00 0.00 C ATOM 569 O GLU A 35 -6.466 -1.228 5.534 1.00 0.00 O ATOM 570 CB GLU A 35 -7.831 -2.159 2.813 1.00 0.00 C ATOM 571 CG GLU A 35 -7.209 -3.417 2.232 1.00 0.00 C ATOM 572 CD GLU A 35 -8.198 -4.559 2.125 1.00 0.00 C ATOM 573 OE1 GLU A 35 -8.474 -5.215 3.151 1.00 0.00 O ATOM 574 OE2 GLU A 35 -8.705 -4.807 1.012 1.00 0.00 O ATOM 0 H GLU A 35 -9.167 -0.443 3.985 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.763 -3.227 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.715 -1.900 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.126 -1.334 2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.807 -3.196 1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.370 -3.725 2.856 1.00 0.00 H new ATOM 581 N THR A 36 -6.493 -3.478 5.509 1.00 0.00 N ATOM 582 CA THR A 36 -5.306 -3.604 6.336 1.00 0.00 C ATOM 583 C THR A 36 -4.049 -3.383 5.504 1.00 0.00 C ATOM 584 O THR A 36 -4.040 -3.634 4.294 1.00 0.00 O ATOM 585 CB THR A 36 -5.233 -4.987 7.010 1.00 0.00 C ATOM 586 OG1 THR A 36 -5.397 -6.021 6.032 1.00 0.00 O ATOM 587 CG2 THR A 36 -6.298 -5.129 8.083 1.00 0.00 C ATOM 0 H THR A 36 -6.907 -4.366 5.226 1.00 0.00 H new ATOM 0 HA THR A 36 -5.369 -2.841 7.112 1.00 0.00 H new ATOM 0 HB THR A 36 -4.254 -5.081 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.347 -6.896 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.223 -6.115 8.542 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.152 -4.362 8.844 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.284 -5.012 7.634 1.00 0.00 H new ATOM 595 N VAL A 37 -2.994 -2.910 6.150 1.00 0.00 N ATOM 596 CA VAL A 37 -1.717 -2.699 5.482 1.00 0.00 C ATOM 597 C VAL A 37 -1.188 -4.022 4.930 1.00 0.00 C ATOM 598 O VAL A 37 -0.551 -4.062 3.876 1.00 0.00 O ATOM 599 CB VAL A 37 -0.671 -2.096 6.437 1.00 0.00 C ATOM 600 CG1 VAL A 37 0.588 -1.712 5.680 1.00 0.00 C ATOM 601 CG2 VAL A 37 -1.240 -0.894 7.166 1.00 0.00 C ATOM 0 H VAL A 37 -2.997 -2.664 7.140 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.886 -1.996 4.667 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.410 -2.853 7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.314 -1.288 6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.012 -2.597 5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.342 -0.975 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.484 -0.483 7.836 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.534 -0.135 6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.111 -1.199 7.746 1.00 0.00 H new ATOM 611 N SER A 38 -1.483 -5.108 5.635 1.00 0.00 N ATOM 612 CA SER A 38 -1.049 -6.430 5.219 1.00 0.00 C ATOM 613 C SER A 38 -1.793 -6.858 3.958 1.00 0.00 C ATOM 614 O SER A 38 -1.245 -7.562 3.107 1.00 0.00 O ATOM 615 CB SER A 38 -1.290 -7.442 6.341 1.00 0.00 C ATOM 616 OG SER A 38 -0.412 -8.549 6.235 1.00 0.00 O ATOM 0 H SER A 38 -2.023 -5.095 6.500 1.00 0.00 H new ATOM 0 HA SER A 38 0.018 -6.394 5.001 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.151 -6.957 7.307 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.322 -7.790 6.304 1.00 0.00 H new ATOM 0 HG SER A 38 0.504 -8.260 6.429 1.00 0.00 H new ATOM 622 N SER A 39 -3.035 -6.406 3.822 1.00 0.00 N ATOM 623 CA SER A 39 -3.844 -6.759 2.672 1.00 0.00 C ATOM 624 C SER A 39 -3.421 -5.891 1.499 1.00 0.00 C ATOM 625 O SER A 39 -3.493 -6.299 0.338 1.00 0.00 O ATOM 626 CB SER A 39 -5.327 -6.563 2.991 1.00 0.00 C ATOM 627 OG SER A 39 -6.158 -7.152 2.006 1.00 0.00 O ATOM 0 H SER A 39 -3.499 -5.796 4.495 1.00 0.00 H new ATOM 0 HA SER A 39 -3.696 -7.808 2.416 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.551 -7.000 3.964 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.546 -5.498 3.062 1.00 0.00 H new ATOM 0 HG SER A 39 -7.087 -7.150 2.318 1.00 0.00 H new ATOM 633 N LEU A 40 -2.969 -4.687 1.829 1.00 0.00 N ATOM 634 CA LEU A 40 -2.400 -3.779 0.852 1.00 0.00 C ATOM 635 C LEU A 40 -1.196 -4.441 0.188 1.00 0.00 C ATOM 636 O LEU A 40 -1.121 -4.533 -1.036 1.00 0.00 O ATOM 637 CB LEU A 40 -1.960 -2.483 1.540 1.00 0.00 C ATOM 638 CG LEU A 40 -1.646 -1.328 0.598 1.00 0.00 C ATOM 639 CD1 LEU A 40 -2.918 -0.870 -0.086 1.00 0.00 C ATOM 640 CD2 LEU A 40 -0.996 -0.180 1.353 1.00 0.00 C ATOM 0 H LEU A 40 -2.988 -4.317 2.780 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.150 -3.544 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.746 -2.169 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.076 -2.691 2.142 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.941 -1.670 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.692 -0.044 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.343 -1.697 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.636 -0.540 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.780 0.634 0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.673 0.174 2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.068 -0.524 1.810 1.00 0.00 H new ATOM 652 N LYS A 41 -0.273 -4.924 1.024 1.00 0.00 N ATOM 653 CA LYS A 41 0.925 -5.619 0.556 1.00 0.00 C ATOM 654 C LYS A 41 0.557 -6.814 -0.314 1.00 0.00 C ATOM 655 O LYS A 41 1.136 -7.027 -1.378 1.00 0.00 O ATOM 656 CB LYS A 41 1.750 -6.115 1.749 1.00 0.00 C ATOM 657 CG LYS A 41 2.213 -5.018 2.694 1.00 0.00 C ATOM 658 CD LYS A 41 2.744 -5.606 3.994 1.00 0.00 C ATOM 659 CE LYS A 41 3.050 -4.526 5.020 1.00 0.00 C ATOM 660 NZ LYS A 41 3.502 -5.105 6.312 1.00 0.00 N ATOM 0 H LYS A 41 -0.336 -4.844 2.039 1.00 0.00 H new ATOM 0 HA LYS A 41 1.509 -4.912 -0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.156 -6.835 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.624 -6.647 1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.991 -4.425 2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.384 -4.343 2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.011 -6.300 4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.648 -6.180 3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.821 -3.862 4.630 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.160 -3.919 5.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.151 -4.519 7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.130 -6.072 6.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.541 -5.130 6.337 1.00 0.00 H new ATOM 674 N ASP A 42 -0.413 -7.588 0.157 1.00 0.00 N ATOM 675 CA ASP A 42 -0.835 -8.806 -0.528 1.00 0.00 C ATOM 676 C ASP A 42 -1.386 -8.491 -1.914 1.00 0.00 C ATOM 677 O ASP A 42 -1.036 -9.151 -2.892 1.00 0.00 O ATOM 678 CB ASP A 42 -1.884 -9.544 0.307 1.00 0.00 C ATOM 679 CG ASP A 42 -2.315 -10.855 -0.318 1.00 0.00 C ATOM 680 OD1 ASP A 42 -1.526 -11.826 -0.277 1.00 0.00 O ATOM 681 OD2 ASP A 42 -3.441 -10.918 -0.850 1.00 0.00 O ATOM 0 H ASP A 42 -0.926 -7.393 1.017 1.00 0.00 H new ATOM 0 HA ASP A 42 0.037 -9.449 -0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.481 -9.736 1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.757 -8.903 0.435 1.00 0.00 H new ATOM 686 N LYS A 43 -2.226 -7.468 -1.997 1.00 0.00 N ATOM 687 CA LYS A 43 -2.806 -7.052 -3.269 1.00 0.00 C ATOM 688 C LYS A 43 -1.736 -6.540 -4.228 1.00 0.00 C ATOM 689 O LYS A 43 -1.781 -6.832 -5.422 1.00 0.00 O ATOM 690 CB LYS A 43 -3.874 -5.986 -3.044 1.00 0.00 C ATOM 691 CG LYS A 43 -5.290 -6.518 -3.188 1.00 0.00 C ATOM 692 CD LYS A 43 -6.317 -5.516 -2.692 1.00 0.00 C ATOM 693 CE LYS A 43 -6.326 -5.435 -1.174 1.00 0.00 C ATOM 694 NZ LYS A 43 -6.777 -6.710 -0.554 1.00 0.00 N ATOM 0 H LYS A 43 -2.522 -6.909 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.271 -7.926 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.751 -5.563 -2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.724 -5.174 -3.756 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.486 -6.753 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.388 -7.448 -2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.099 -4.533 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.307 -5.801 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.325 -5.192 -0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.983 -4.625 -0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.753 -6.620 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.748 -6.921 -0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.145 -7.482 -0.849 1.00 0.00 H new ATOM 708 N ILE A 44 -0.772 -5.785 -3.709 1.00 0.00 N ATOM 709 CA ILE A 44 0.333 -5.296 -4.530 1.00 0.00 C ATOM 710 C ILE A 44 1.159 -6.467 -5.053 1.00 0.00 C ATOM 711 O ILE A 44 1.621 -6.454 -6.189 1.00 0.00 O ATOM 712 CB ILE A 44 1.243 -4.320 -3.750 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.443 -3.098 -3.296 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.430 -3.887 -4.604 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.243 -2.127 -2.452 1.00 0.00 C ATOM 0 H ILE A 44 -0.732 -5.500 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.100 -4.750 -5.368 1.00 0.00 H new ATOM 0 HB ILE A 44 1.625 -4.837 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.064 -2.576 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.424 -3.433 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.057 -3.200 -4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.014 -4.763 -4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.069 -3.388 -5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.611 -1.286 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.600 -2.633 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.095 -1.762 -3.026 1.00 0.00 H new ATOM 727 N HIS A 45 1.315 -7.488 -4.220 1.00 0.00 N ATOM 728 CA HIS A 45 2.009 -8.711 -4.614 1.00 0.00 C ATOM 729 C HIS A 45 1.254 -9.434 -5.732 1.00 0.00 C ATOM 730 O HIS A 45 1.843 -10.170 -6.521 1.00 0.00 O ATOM 731 CB HIS A 45 2.184 -9.639 -3.411 1.00 0.00 C ATOM 732 CG HIS A 45 2.983 -10.864 -3.721 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.349 -10.847 -3.899 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.599 -12.149 -3.896 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.768 -12.069 -4.171 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.726 -12.879 -4.177 1.00 0.00 N ATOM 0 H HIS A 45 0.968 -7.494 -3.261 1.00 0.00 H new ATOM 0 HA HIS A 45 2.994 -8.432 -4.990 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.671 -9.090 -2.605 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.202 -9.937 -3.045 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.943 -10.021 -3.831 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.591 -12.530 -3.827 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.792 -12.358 -4.357 1.00 0.00 H new ATOM 745 N ILE A 46 -0.059 -9.262 -5.767 1.00 0.00 N ATOM 746 CA ILE A 46 -0.875 -9.853 -6.819 1.00 0.00 C ATOM 747 C ILE A 46 -0.707 -9.073 -8.123 1.00 0.00 C ATOM 748 O ILE A 46 -0.769 -9.641 -9.213 1.00 0.00 O ATOM 749 CB ILE A 46 -2.361 -9.888 -6.409 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.518 -10.704 -5.125 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.224 -10.471 -7.521 1.00 0.00 C ATOM 752 CD1 ILE A 46 -3.894 -10.623 -4.508 1.00 0.00 C ATOM 0 H ILE A 46 -0.582 -8.719 -5.080 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.538 -10.878 -6.974 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.698 -8.867 -6.230 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.289 -11.748 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.784 -10.360 -4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.267 -10.483 -7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.125 -9.859 -8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.899 -11.488 -7.738 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.923 -11.229 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.121 -9.586 -4.259 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.633 -10.996 -5.217 1.00 0.00 H new ATOM 764 N VAL A 47 -0.473 -7.778 -8.005 1.00 0.00 N ATOM 765 CA VAL A 47 -0.271 -6.927 -9.171 1.00 0.00 C ATOM 766 C VAL A 47 1.173 -7.014 -9.674 1.00 0.00 C ATOM 767 O VAL A 47 1.419 -7.314 -10.845 1.00 0.00 O ATOM 768 CB VAL A 47 -0.614 -5.456 -8.856 1.00 0.00 C ATOM 769 CG1 VAL A 47 -0.386 -4.576 -10.076 1.00 0.00 C ATOM 770 CG2 VAL A 47 -2.051 -5.331 -8.369 1.00 0.00 C ATOM 0 H VAL A 47 -0.417 -7.289 -7.112 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.942 -7.288 -9.950 1.00 0.00 H new ATOM 0 HB VAL A 47 0.049 -5.116 -8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.634 -3.543 -9.831 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.660 -4.636 -10.378 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.020 -4.917 -10.894 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.272 -4.286 -8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.730 -5.693 -9.141 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.181 -5.924 -7.464 1.00 0.00 H new ATOM 780 N GLU A 48 2.118 -6.759 -8.780 1.00 0.00 N ATOM 781 CA GLU A 48 3.532 -6.755 -9.126 1.00 0.00 C ATOM 782 C GLU A 48 4.168 -8.079 -8.707 1.00 0.00 C ATOM 783 O GLU A 48 3.698 -8.730 -7.782 1.00 0.00 O ATOM 784 CB GLU A 48 4.235 -5.575 -8.441 1.00 0.00 C ATOM 785 CG GLU A 48 5.137 -4.773 -9.366 1.00 0.00 C ATOM 786 CD GLU A 48 6.192 -5.618 -10.044 1.00 0.00 C ATOM 787 OE1 GLU A 48 7.125 -6.079 -9.356 1.00 0.00 O ATOM 788 OE2 GLU A 48 6.089 -5.828 -11.272 1.00 0.00 O ATOM 0 H GLU A 48 1.928 -6.550 -7.800 1.00 0.00 H new ATOM 0 HA GLU A 48 3.641 -6.642 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.481 -4.911 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.829 -5.952 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.527 -4.285 -10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.624 -3.984 -8.794 1.00 0.00 H new ATOM 795 N ASN A 49 5.237 -8.471 -9.381 1.00 0.00 N ATOM 796 CA ASN A 49 5.864 -9.766 -9.131 1.00 0.00 C ATOM 797 C ASN A 49 6.828 -9.703 -7.950 1.00 0.00 C ATOM 798 O ASN A 49 7.426 -10.710 -7.569 1.00 0.00 O ATOM 799 CB ASN A 49 6.610 -10.247 -10.374 1.00 0.00 C ATOM 800 CG ASN A 49 5.693 -10.491 -11.557 1.00 0.00 C ATOM 801 OD1 ASN A 49 5.429 -9.590 -12.354 1.00 0.00 O ATOM 802 ND2 ASN A 49 5.205 -11.713 -11.682 1.00 0.00 N ATOM 0 H ASN A 49 5.691 -7.914 -10.105 1.00 0.00 H new ATOM 0 HA ASN A 49 5.069 -10.471 -8.888 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.361 -9.507 -10.650 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.143 -11.168 -10.138 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.585 -11.938 -12.460 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.448 -12.431 -11.000 1.00 0.00 H new ATOM 809 N THR A 50 6.975 -8.520 -7.379 1.00 0.00 N ATOM 810 CA THR A 50 7.884 -8.311 -6.264 1.00 0.00 C ATOM 811 C THR A 50 7.339 -8.924 -4.965 1.00 0.00 C ATOM 812 O THR A 50 6.195 -8.672 -4.570 1.00 0.00 O ATOM 813 CB THR A 50 8.163 -6.804 -6.065 1.00 0.00 C ATOM 814 OG1 THR A 50 8.773 -6.264 -7.246 1.00 0.00 O ATOM 815 CG2 THR A 50 9.076 -6.561 -4.872 1.00 0.00 C ATOM 0 H THR A 50 6.472 -7.682 -7.672 1.00 0.00 H new ATOM 0 HA THR A 50 8.819 -8.816 -6.506 1.00 0.00 H new ATOM 0 HB THR A 50 7.211 -6.309 -5.876 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.076 -6.006 -7.885 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.252 -5.491 -4.760 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.605 -6.947 -3.968 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.026 -7.070 -5.032 1.00 0.00 H new ATOM 823 N PRO A 51 8.147 -9.781 -4.308 1.00 0.00 N ATOM 824 CA PRO A 51 7.823 -10.335 -2.989 1.00 0.00 C ATOM 825 C PRO A 51 7.542 -9.247 -1.956 1.00 0.00 C ATOM 826 O PRO A 51 8.129 -8.164 -2.003 1.00 0.00 O ATOM 827 CB PRO A 51 9.079 -11.118 -2.584 1.00 0.00 C ATOM 828 CG PRO A 51 10.135 -10.749 -3.573 1.00 0.00 C ATOM 829 CD PRO A 51 9.424 -10.303 -4.817 1.00 0.00 C ATOM 0 HA PRO A 51 6.922 -10.946 -3.033 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.388 -10.862 -1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.890 -12.191 -2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.769 -9.953 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.784 -11.600 -3.782 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.988 -9.537 -5.350 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.273 -11.129 -5.512 1.00 0.00 H new ATOM 837 N ILE A 52 6.665 -9.557 -1.011 1.00 0.00 N ATOM 838 CA ILE A 52 6.275 -8.610 0.032 1.00 0.00 C ATOM 839 C ILE A 52 7.460 -8.288 0.943 1.00 0.00 C ATOM 840 O ILE A 52 7.534 -7.215 1.532 1.00 0.00 O ATOM 841 CB ILE A 52 5.094 -9.171 0.865 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.859 -9.349 -0.026 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.770 -8.260 2.042 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.676 -9.972 0.684 1.00 0.00 C ATOM 0 H ILE A 52 6.205 -10.465 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 52 5.952 -7.688 -0.452 1.00 0.00 H new ATOM 0 HB ILE A 52 5.389 -10.142 1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.563 -8.376 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.126 -9.971 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.938 -8.679 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.643 -8.177 2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.497 -7.272 1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.842 -10.065 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.952 -10.960 1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.381 -9.341 1.522 1.00 0.00 H new ATOM 856 N LYS A 53 8.400 -9.217 1.024 1.00 0.00 N ATOM 857 CA LYS A 53 9.581 -9.043 1.863 1.00 0.00 C ATOM 858 C LYS A 53 10.572 -8.078 1.213 1.00 0.00 C ATOM 859 O LYS A 53 11.389 -7.458 1.894 1.00 0.00 O ATOM 860 CB LYS A 53 10.270 -10.392 2.111 1.00 0.00 C ATOM 861 CG LYS A 53 9.494 -11.353 3.006 1.00 0.00 C ATOM 862 CD LYS A 53 8.231 -11.884 2.345 1.00 0.00 C ATOM 863 CE LYS A 53 7.537 -12.917 3.219 1.00 0.00 C ATOM 864 NZ LYS A 53 6.970 -12.319 4.460 1.00 0.00 N ATOM 0 H LYS A 53 8.370 -10.102 0.518 1.00 0.00 H new ATOM 0 HA LYS A 53 9.254 -8.626 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.447 -10.875 1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.246 -10.208 2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.137 -12.191 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.227 -10.844 3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.549 -11.058 2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.483 -12.330 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.738 -13.393 2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.247 -13.699 3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.435 -13.043 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.743 -11.962 5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.336 -11.534 4.209 1.00 0.00 H new ATOM 878 N ARG A 54 10.479 -7.948 -0.104 1.00 0.00 N ATOM 879 CA ARG A 54 11.429 -7.148 -0.868 1.00 0.00 C ATOM 880 C ARG A 54 10.977 -5.697 -0.952 1.00 0.00 C ATOM 881 O ARG A 54 11.796 -4.786 -1.055 1.00 0.00 O ATOM 882 CB ARG A 54 11.556 -7.716 -2.280 1.00 0.00 C ATOM 883 CG ARG A 54 12.727 -7.168 -3.075 1.00 0.00 C ATOM 884 CD ARG A 54 12.637 -7.610 -4.525 1.00 0.00 C ATOM 885 NE ARG A 54 13.912 -7.482 -5.232 1.00 0.00 N ATOM 886 CZ ARG A 54 14.020 -7.232 -6.540 1.00 0.00 C ATOM 887 NH1 ARG A 54 12.937 -6.992 -7.270 1.00 0.00 N ATOM 888 NH2 ARG A 54 15.216 -7.212 -7.116 1.00 0.00 N ATOM 0 H ARG A 54 9.752 -8.388 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 54 12.393 -7.184 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.653 -8.800 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.635 -7.510 -2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.734 -6.079 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.664 -7.515 -2.640 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.306 -8.648 -4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.881 -7.014 -5.036 1.00 0.00 H new ATOM 0 HE ARG A 54 14.771 -7.590 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.016 -6.998 -6.833 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.027 -6.802 -8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.053 -7.388 -6.560 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.298 -7.021 -8.115 1.00 0.00 H new ATOM 902 N MET A 55 9.671 -5.495 -0.916 1.00 0.00 N ATOM 903 CA MET A 55 9.098 -4.167 -1.078 1.00 0.00 C ATOM 904 C MET A 55 8.573 -3.633 0.249 1.00 0.00 C ATOM 905 O MET A 55 7.920 -4.347 1.008 1.00 0.00 O ATOM 906 CB MET A 55 7.980 -4.195 -2.127 1.00 0.00 C ATOM 907 CG MET A 55 6.841 -5.146 -1.796 1.00 0.00 C ATOM 908 SD MET A 55 5.636 -5.268 -3.127 1.00 0.00 S ATOM 909 CE MET A 55 4.466 -6.417 -2.411 1.00 0.00 C ATOM 0 H MET A 55 8.984 -6.236 -0.776 1.00 0.00 H new ATOM 0 HA MET A 55 9.885 -3.496 -1.423 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.577 -3.188 -2.240 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.407 -4.477 -3.089 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.247 -6.135 -1.586 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.342 -4.808 -0.888 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.521 -6.357 -2.950 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.861 -7.430 -2.483 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.303 -6.165 -1.363 1.00 0.00 H new ATOM 919 N GLN A 56 8.881 -2.382 0.537 1.00 0.00 N ATOM 920 CA GLN A 56 8.416 -1.752 1.757 1.00 0.00 C ATOM 921 C GLN A 56 7.547 -0.547 1.421 1.00 0.00 C ATOM 922 O GLN A 56 7.914 0.274 0.579 1.00 0.00 O ATOM 923 CB GLN A 56 9.605 -1.329 2.620 1.00 0.00 C ATOM 924 CG GLN A 56 9.264 -1.158 4.092 1.00 0.00 C ATOM 925 CD GLN A 56 9.206 -2.477 4.853 1.00 0.00 C ATOM 926 OE1 GLN A 56 9.465 -2.515 6.055 1.00 0.00 O ATOM 927 NE2 GLN A 56 8.892 -3.567 4.165 1.00 0.00 N ATOM 0 H GLN A 56 9.452 -1.782 -0.059 1.00 0.00 H new ATOM 0 HA GLN A 56 7.818 -2.469 2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.395 -2.074 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.004 -0.390 2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.007 -0.510 4.557 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.302 -0.653 4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.683 -3.499 3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.860 -4.473 4.632 1.00 0.00 H new ATOM 936 N LEU A 57 6.401 -0.447 2.078 1.00 0.00 N ATOM 937 CA LEU A 57 5.442 0.612 1.791 1.00 0.00 C ATOM 938 C LEU A 57 5.776 1.865 2.590 1.00 0.00 C ATOM 939 O LEU A 57 6.016 1.790 3.793 1.00 0.00 O ATOM 940 CB LEU A 57 4.022 0.157 2.139 1.00 0.00 C ATOM 941 CG LEU A 57 3.635 -1.242 1.659 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.215 -1.570 2.088 1.00 0.00 C ATOM 943 CD2 LEU A 57 3.774 -1.360 0.151 1.00 0.00 C ATOM 0 H LEU A 57 6.111 -1.088 2.816 1.00 0.00 H new ATOM 0 HA LEU A 57 5.498 0.838 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.904 0.195 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.317 0.873 1.716 1.00 0.00 H new ATOM 0 HG LEU A 57 4.316 -1.959 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.951 -2.569 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.146 -1.534 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.527 -0.842 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.492 -2.365 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.122 -0.633 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.808 -1.167 -0.135 1.00 0.00 H new ATOM 955 N TYR A 58 5.799 3.007 1.923 1.00 0.00 N ATOM 956 CA TYR A 58 6.035 4.277 2.592 1.00 0.00 C ATOM 957 C TYR A 58 4.961 5.293 2.224 1.00 0.00 C ATOM 958 O TYR A 58 4.734 5.579 1.048 1.00 0.00 O ATOM 959 CB TYR A 58 7.416 4.836 2.237 1.00 0.00 C ATOM 960 CG TYR A 58 8.568 4.107 2.893 1.00 0.00 C ATOM 961 CD1 TYR A 58 9.036 2.901 2.386 1.00 0.00 C ATOM 962 CD2 TYR A 58 9.193 4.633 4.015 1.00 0.00 C ATOM 963 CE1 TYR A 58 10.092 2.242 2.979 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.252 3.978 4.613 1.00 0.00 C ATOM 965 CZ TYR A 58 10.696 2.784 4.091 1.00 0.00 C ATOM 966 OH TYR A 58 11.750 2.128 4.683 1.00 0.00 O ATOM 0 H TYR A 58 5.657 3.081 0.916 1.00 0.00 H new ATOM 0 HA TYR A 58 5.995 4.094 3.666 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.544 4.796 1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.455 5.887 2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.565 2.473 1.513 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.846 5.569 4.427 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.444 1.305 2.573 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.729 4.400 5.485 1.00 0.00 H new ATOM 0 HH TYR A 58 12.064 2.643 5.455 1.00 0.00 H new ATOM 976 N TYR A 59 4.299 5.821 3.235 1.00 0.00 N ATOM 977 CA TYR A 59 3.334 6.888 3.050 1.00 0.00 C ATOM 978 C TYR A 59 3.932 8.184 3.574 1.00 0.00 C ATOM 979 O TYR A 59 4.383 8.231 4.715 1.00 0.00 O ATOM 980 CB TYR A 59 2.023 6.567 3.777 1.00 0.00 C ATOM 981 CG TYR A 59 0.992 7.671 3.702 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.406 8.019 2.494 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.604 8.359 4.844 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.537 9.025 2.423 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.338 9.366 4.784 1.00 0.00 C ATOM 986 CZ TYR A 59 -0.905 9.697 3.572 1.00 0.00 C ATOM 987 OH TYR A 59 -1.848 10.698 3.509 1.00 0.00 O ATOM 0 H TYR A 59 4.414 5.524 4.204 1.00 0.00 H new ATOM 0 HA TYR A 59 3.106 6.992 1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.598 5.657 3.353 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.242 6.359 4.824 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.692 7.495 1.594 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.047 8.102 5.795 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.984 9.285 1.475 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.629 9.892 5.681 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.993 11.067 4.405 1.00 0.00 H new ATOM 997 N SER A 60 3.933 9.216 2.734 1.00 0.00 N ATOM 998 CA SER A 60 4.601 10.490 3.023 1.00 0.00 C ATOM 999 C SER A 60 6.085 10.267 3.349 1.00 0.00 C ATOM 1000 O SER A 60 6.914 10.156 2.444 1.00 0.00 O ATOM 1001 CB SER A 60 3.879 11.289 4.137 1.00 0.00 C ATOM 1002 OG SER A 60 3.890 10.622 5.395 1.00 0.00 O ATOM 0 H SER A 60 3.468 9.195 1.826 1.00 0.00 H new ATOM 0 HA SER A 60 4.546 11.101 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.355 12.264 4.244 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.847 11.470 3.837 1.00 0.00 H new ATOM 0 HG SER A 60 4.058 9.666 5.257 1.00 0.00 H new ATOM 1008 N GLY A 61 6.409 10.181 4.631 1.00 0.00 N ATOM 1009 CA GLY A 61 7.760 9.877 5.046 1.00 0.00 C ATOM 1010 C GLY A 61 7.760 8.821 6.130 1.00 0.00 C ATOM 1011 O GLY A 61 8.696 8.721 6.919 1.00 0.00 O ATOM 0 H GLY A 61 5.751 10.318 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.339 9.528 4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.246 10.781 5.412 1.00 0.00 H new ATOM 1015 N ILE A 62 6.693 8.036 6.155 1.00 0.00 N ATOM 1016 CA ILE A 62 6.472 7.038 7.191 1.00 0.00 C ATOM 1017 C ILE A 62 6.289 5.659 6.567 1.00 0.00 C ATOM 1018 O ILE A 62 5.520 5.504 5.619 1.00 0.00 O ATOM 1019 CB ILE A 62 5.211 7.389 8.011 1.00 0.00 C ATOM 1020 CG1 ILE A 62 5.356 8.783 8.625 1.00 0.00 C ATOM 1021 CG2 ILE A 62 4.963 6.344 9.092 1.00 0.00 C ATOM 1022 CD1 ILE A 62 4.045 9.390 9.072 1.00 0.00 C ATOM 0 H ILE A 62 5.953 8.074 5.454 1.00 0.00 H new ATOM 0 HA ILE A 62 7.343 7.029 7.846 1.00 0.00 H new ATOM 0 HB ILE A 62 4.349 7.391 7.343 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.030 8.725 9.480 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.823 9.445 7.895 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.070 6.611 9.658 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.821 5.368 8.629 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.820 6.305 9.764 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.227 10.377 9.496 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.376 9.481 8.217 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.586 8.750 9.826 1.00 0.00 H new ATOM 1034 N GLU A 63 6.980 4.660 7.094 1.00 0.00 N ATOM 1035 CA GLU A 63 6.873 3.313 6.554 1.00 0.00 C ATOM 1036 C GLU A 63 5.658 2.597 7.124 1.00 0.00 C ATOM 1037 O GLU A 63 5.337 2.724 8.308 1.00 0.00 O ATOM 1038 CB GLU A 63 8.138 2.485 6.821 1.00 0.00 C ATOM 1039 CG GLU A 63 8.493 2.316 8.289 1.00 0.00 C ATOM 1040 CD GLU A 63 9.155 3.544 8.872 1.00 0.00 C ATOM 1041 OE1 GLU A 63 10.395 3.651 8.779 1.00 0.00 O ATOM 1042 OE2 GLU A 63 8.441 4.411 9.415 1.00 0.00 O ATOM 0 H GLU A 63 7.615 4.754 7.887 1.00 0.00 H new ATOM 0 HA GLU A 63 6.757 3.412 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.009 1.498 6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.978 2.957 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.588 2.092 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.159 1.461 8.402 1.00 0.00 H new ATOM 1049 N LEU A 64 4.985 1.849 6.270 1.00 0.00 N ATOM 1050 CA LEU A 64 3.842 1.058 6.678 1.00 0.00 C ATOM 1051 C LEU A 64 4.309 -0.352 7.019 1.00 0.00 C ATOM 1052 O LEU A 64 4.115 -1.293 6.248 1.00 0.00 O ATOM 1053 CB LEU A 64 2.789 1.024 5.565 1.00 0.00 C ATOM 1054 CG LEU A 64 2.387 2.392 5.007 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.377 2.238 3.886 1.00 0.00 C ATOM 1056 CD2 LEU A 64 1.820 3.272 6.107 1.00 0.00 C ATOM 0 H LEU A 64 5.215 1.773 5.279 1.00 0.00 H new ATOM 0 HA LEU A 64 3.384 1.509 7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.168 0.413 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.896 0.528 5.946 1.00 0.00 H new ATOM 0 HG LEU A 64 3.280 2.870 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.105 3.222 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.813 1.644 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.486 1.737 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.540 4.240 5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.940 2.794 6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.572 3.415 6.883 1.00 0.00 H new ATOM 1068 N ALA A 65 4.973 -0.475 8.158 1.00 0.00 N ATOM 1069 CA ALA A 65 5.568 -1.736 8.569 1.00 0.00 C ATOM 1070 C ALA A 65 4.531 -2.666 9.185 1.00 0.00 C ATOM 1071 O ALA A 65 4.643 -3.893 9.085 1.00 0.00 O ATOM 1072 CB ALA A 65 6.700 -1.479 9.550 1.00 0.00 C ATOM 0 H ALA A 65 5.114 0.290 8.818 1.00 0.00 H new ATOM 0 HA ALA A 65 5.967 -2.228 7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.141 -2.428 9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.461 -0.861 9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.311 -0.963 10.428 1.00 0.00 H new ATOM 1078 N ASP A 66 3.521 -2.073 9.809 1.00 0.00 N ATOM 1079 CA ASP A 66 2.473 -2.833 10.481 1.00 0.00 C ATOM 1080 C ASP A 66 1.660 -3.630 9.474 1.00 0.00 C ATOM 1081 O ASP A 66 1.625 -3.306 8.287 1.00 0.00 O ATOM 1082 CB ASP A 66 1.530 -1.907 11.253 1.00 0.00 C ATOM 1083 CG ASP A 66 2.238 -1.018 12.256 1.00 0.00 C ATOM 1084 OD1 ASP A 66 2.754 0.042 11.847 1.00 0.00 O ATOM 1085 OD2 ASP A 66 2.261 -1.362 13.458 1.00 0.00 O ATOM 0 H ASP A 66 3.405 -1.061 9.864 1.00 0.00 H new ATOM 0 HA ASP A 66 2.961 -3.512 11.180 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.988 -1.281 10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.789 -2.511 11.776 1.00 0.00 H new ATOM 1090 N ASP A 67 1.024 -4.683 9.950 1.00 0.00 N ATOM 1091 CA ASP A 67 0.145 -5.489 9.113 1.00 0.00 C ATOM 1092 C ASP A 67 -1.298 -5.394 9.588 1.00 0.00 C ATOM 1093 O ASP A 67 -2.232 -5.418 8.787 1.00 0.00 O ATOM 1094 CB ASP A 67 0.601 -6.949 9.114 1.00 0.00 C ATOM 1095 CG ASP A 67 1.883 -7.154 8.332 1.00 0.00 C ATOM 1096 OD1 ASP A 67 1.840 -7.058 7.086 1.00 0.00 O ATOM 1097 OD2 ASP A 67 2.933 -7.410 8.957 1.00 0.00 O ATOM 0 H ASP A 67 1.098 -5.004 10.915 1.00 0.00 H new ATOM 0 HA ASP A 67 0.198 -5.100 8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.749 -7.280 10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.185 -7.573 8.688 1.00 0.00 H new ATOM 1102 N TYR A 68 -1.462 -5.266 10.899 1.00 0.00 N ATOM 1103 CA TYR A 68 -2.778 -5.244 11.532 1.00 0.00 C ATOM 1104 C TYR A 68 -3.451 -3.880 11.397 1.00 0.00 C ATOM 1105 O TYR A 68 -4.648 -3.744 11.643 1.00 0.00 O ATOM 1106 CB TYR A 68 -2.644 -5.608 13.017 1.00 0.00 C ATOM 1107 CG TYR A 68 -1.662 -4.726 13.762 1.00 0.00 C ATOM 1108 CD1 TYR A 68 -0.298 -4.994 13.728 1.00 0.00 C ATOM 1109 CD2 TYR A 68 -2.093 -3.612 14.474 1.00 0.00 C ATOM 1110 CE1 TYR A 68 0.605 -4.183 14.382 1.00 0.00 C ATOM 1111 CE2 TYR A 68 -1.191 -2.792 15.126 1.00 0.00 C ATOM 1112 CZ TYR A 68 0.155 -3.084 15.077 1.00 0.00 C ATOM 1113 OH TYR A 68 1.061 -2.261 15.702 1.00 0.00 O ATOM 0 H TYR A 68 -0.687 -5.174 11.555 1.00 0.00 H new ATOM 0 HA TYR A 68 -3.404 -5.977 11.023 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.622 -5.534 13.492 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.326 -6.647 13.102 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.060 -5.853 13.180 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.148 -3.384 14.518 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.661 -4.409 14.349 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.539 -1.927 15.671 1.00 0.00 H new ATOM 0 HH TYR A 68 1.610 -1.808 15.029 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.681 -2.869 11.018 1.00 0.00 N ATOM 1124 CA ARG A 69 -3.209 -1.516 10.908 1.00 0.00 C ATOM 1125 C ARG A 69 -4.025 -1.353 9.638 1.00 0.00 C ATOM 1126 O ARG A 69 -3.809 -2.058 8.650 1.00 0.00 O ATOM 1127 CB ARG A 69 -2.075 -0.494 10.914 1.00 0.00 C ATOM 1128 CG ARG A 69 -1.315 -0.415 12.226 1.00 0.00 C ATOM 1129 CD ARG A 69 -1.785 0.741 13.096 1.00 0.00 C ATOM 1130 NE ARG A 69 -3.116 0.528 13.657 1.00 0.00 N ATOM 1131 CZ ARG A 69 -3.360 0.390 14.961 1.00 0.00 C ATOM 1132 NH1 ARG A 69 -2.360 0.402 15.839 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -4.605 0.249 15.388 1.00 0.00 N ATOM 0 H ARG A 69 -1.693 -2.959 10.782 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.855 -1.343 11.769 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.375 -0.740 10.116 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.486 0.489 10.685 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.438 -1.351 12.771 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.250 -0.303 12.021 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.074 0.890 13.908 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.788 1.656 12.504 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.906 0.482 13.014 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.399 0.517 15.516 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.554 0.296 16.835 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.376 0.246 14.720 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.793 0.143 16.385 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.960 -0.425 9.681 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.766 -0.083 8.522 1.00 0.00 C ATOM 1149 C ASN A 70 -5.256 1.217 7.920 1.00 0.00 C ATOM 1150 O ASN A 70 -4.717 2.068 8.631 1.00 0.00 O ATOM 1151 CB ASN A 70 -7.244 0.059 8.899 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.862 -1.237 9.385 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -7.451 -2.328 8.994 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -8.869 -1.127 10.233 1.00 0.00 N ATOM 0 H ASN A 70 -5.184 0.113 10.518 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.682 -0.887 7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -7.343 0.816 9.677 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.801 0.417 8.033 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.333 -1.964 10.585 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.183 -0.205 10.535 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.428 1.372 6.618 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.906 2.539 5.909 1.00 0.00 C ATOM 1163 C LEU A 71 -5.477 3.842 6.466 1.00 0.00 C ATOM 1164 O LEU A 71 -4.761 4.837 6.598 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.207 2.432 4.415 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.617 1.204 3.721 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -4.922 1.251 2.238 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.113 1.118 3.955 1.00 0.00 C ATOM 0 H LEU A 71 -5.925 0.706 6.026 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.826 2.557 6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.288 2.423 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.830 3.327 3.919 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.075 0.312 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.498 0.373 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.002 1.263 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.486 2.151 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.716 0.236 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.631 2.011 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.915 1.045 5.024 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.759 3.830 6.815 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.427 5.026 7.329 1.00 0.00 C ATOM 1182 C ASN A 72 -6.802 5.497 8.643 1.00 0.00 C ATOM 1183 O ASN A 72 -6.827 6.687 8.953 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.933 4.794 7.517 1.00 0.00 C ATOM 1185 CG ASN A 72 -9.253 3.801 8.618 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -9.363 4.165 9.788 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -9.432 2.542 8.250 1.00 0.00 N ATOM 0 H ASN A 72 -7.358 3.007 6.752 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.290 5.808 6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.415 5.745 7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.359 4.436 6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.670 1.836 8.947 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.332 2.278 7.270 1.00 0.00 H new ATOM 1194 N GLU A 73 -6.230 4.568 9.407 1.00 0.00 N ATOM 1195 CA GLU A 73 -5.616 4.902 10.690 1.00 0.00 C ATOM 1196 C GLU A 73 -4.372 5.764 10.488 1.00 0.00 C ATOM 1197 O GLU A 73 -3.995 6.545 11.361 1.00 0.00 O ATOM 1198 CB GLU A 73 -5.245 3.630 11.461 1.00 0.00 C ATOM 1199 CG GLU A 73 -6.419 2.695 11.716 1.00 0.00 C ATOM 1200 CD GLU A 73 -6.021 1.472 12.516 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -5.197 0.679 12.023 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -6.524 1.296 13.642 1.00 0.00 O ATOM 0 H GLU A 73 -6.179 3.580 9.160 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.345 5.467 11.271 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.479 3.091 10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.805 3.913 12.417 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.201 3.236 12.249 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.843 2.380 10.762 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.738 5.621 9.330 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.558 6.416 9.002 1.00 0.00 C ATOM 1211 C TYR A 74 -2.959 7.777 8.445 1.00 0.00 C ATOM 1212 O TYR A 74 -2.111 8.639 8.222 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.681 5.695 7.978 1.00 0.00 C ATOM 1214 CG TYR A 74 -1.001 4.445 8.494 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.183 4.522 9.218 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -1.527 3.189 8.230 1.00 0.00 C ATOM 1217 CE1 TYR A 74 0.824 3.379 9.663 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.897 2.044 8.677 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.281 2.144 9.390 1.00 0.00 C ATOM 1220 OH TYR A 74 0.917 1.001 9.820 1.00 0.00 O ATOM 0 H TYR A 74 -4.020 4.963 8.603 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.992 6.556 9.923 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.295 5.429 7.118 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.917 6.387 7.623 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.610 5.490 9.437 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.444 3.105 7.666 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.745 3.456 10.221 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.324 1.074 8.470 1.00 0.00 H new ATOM 0 HH TYR A 74 1.448 1.203 10.618 1.00 0.00 H new ATOM 1230 N GLY A 75 -4.253 7.968 8.227 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.725 9.202 7.629 1.00 0.00 C ATOM 1232 C GLY A 75 -4.672 9.142 6.116 1.00 0.00 C ATOM 1233 O GLY A 75 -4.624 10.172 5.441 1.00 0.00 O ATOM 0 H GLY A 75 -4.983 7.293 8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.748 9.395 7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.117 10.035 7.983 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.664 7.923 5.590 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.628 7.697 4.155 1.00 0.00 C ATOM 1239 C ILE A 76 -6.020 7.882 3.553 1.00 0.00 C ATOM 1240 O ILE A 76 -7.019 7.442 4.126 1.00 0.00 O ATOM 1241 CB ILE A 76 -4.090 6.280 3.842 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.632 6.163 4.301 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -4.215 5.957 2.361 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -2.020 4.801 4.057 1.00 0.00 C ATOM 0 H ILE A 76 -4.682 7.068 6.146 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.955 8.428 3.707 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.693 5.555 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.037 6.916 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.577 6.390 5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.829 4.955 2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.263 6.003 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.643 6.681 1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.988 4.798 4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.589 4.044 4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.041 4.579 2.990 1.00 0.00 H new ATOM 1256 N THR A 77 -6.079 8.549 2.408 1.00 0.00 N ATOM 1257 CA THR A 77 -7.343 8.864 1.770 1.00 0.00 C ATOM 1258 C THR A 77 -7.243 8.649 0.253 1.00 0.00 C ATOM 1259 O THR A 77 -6.253 8.102 -0.237 1.00 0.00 O ATOM 1260 CB THR A 77 -7.768 10.322 2.090 1.00 0.00 C ATOM 1261 OG1 THR A 77 -9.095 10.584 1.610 1.00 0.00 O ATOM 1262 CG2 THR A 77 -6.799 11.328 1.478 1.00 0.00 C ATOM 0 H THR A 77 -5.259 8.883 1.902 1.00 0.00 H new ATOM 0 HA THR A 77 -8.107 8.193 2.164 1.00 0.00 H new ATOM 0 HB THR A 77 -7.750 10.434 3.174 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.344 11.508 1.824 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.124 12.340 1.720 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.800 11.162 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.780 11.202 0.395 1.00 0.00 H new ATOM 1270 N GLU A 78 -8.272 9.077 -0.469 1.00 0.00 N ATOM 1271 CA GLU A 78 -8.350 8.912 -1.920 1.00 0.00 C ATOM 1272 C GLU A 78 -7.120 9.494 -2.620 1.00 0.00 C ATOM 1273 O GLU A 78 -6.742 10.644 -2.384 1.00 0.00 O ATOM 1274 CB GLU A 78 -9.625 9.583 -2.445 1.00 0.00 C ATOM 1275 CG GLU A 78 -9.796 9.507 -3.955 1.00 0.00 C ATOM 1276 CD GLU A 78 -10.082 8.104 -4.455 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -9.131 7.309 -4.602 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -11.262 7.797 -4.721 1.00 0.00 O ATOM 0 H GLU A 78 -9.080 9.550 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.379 7.845 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.489 9.118 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.621 10.631 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.611 10.166 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.891 9.879 -4.436 1.00 0.00 H new ATOM 1285 N PHE A 79 -6.514 8.677 -3.481 1.00 0.00 N ATOM 1286 CA PHE A 79 -5.323 9.054 -4.238 1.00 0.00 C ATOM 1287 C PHE A 79 -4.176 9.473 -3.333 1.00 0.00 C ATOM 1288 O PHE A 79 -3.689 10.603 -3.391 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.631 10.141 -5.273 1.00 0.00 C ATOM 1290 CG PHE A 79 -6.225 9.591 -6.539 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -5.414 9.003 -7.496 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -7.588 9.647 -6.766 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -5.952 8.483 -8.656 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -8.134 9.126 -7.923 1.00 0.00 C ATOM 1295 CZ PHE A 79 -7.314 8.543 -8.869 1.00 0.00 C ATOM 0 H PHE A 79 -6.838 7.729 -3.673 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.002 8.162 -4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.321 10.865 -4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.713 10.679 -5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.348 8.951 -7.332 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.233 10.103 -6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.308 8.030 -9.395 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.200 9.175 -8.087 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.738 8.135 -9.774 1.00 0.00 H new ATOM 1305 N SER A 80 -3.767 8.555 -2.480 1.00 0.00 N ATOM 1306 CA SER A 80 -2.565 8.728 -1.691 1.00 0.00 C ATOM 1307 C SER A 80 -1.391 8.069 -2.399 1.00 0.00 C ATOM 1308 O SER A 80 -1.489 6.921 -2.845 1.00 0.00 O ATOM 1309 CB SER A 80 -2.758 8.115 -0.309 1.00 0.00 C ATOM 1310 OG SER A 80 -3.129 6.753 -0.415 1.00 0.00 O ATOM 0 H SER A 80 -4.255 7.674 -2.315 1.00 0.00 H new ATOM 0 HA SER A 80 -2.359 9.792 -1.576 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.836 8.203 0.266 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.526 8.665 0.235 1.00 0.00 H new ATOM 0 HG SER A 80 -2.796 6.388 -1.262 1.00 0.00 H new ATOM 1316 N GLU A 81 -0.296 8.792 -2.518 1.00 0.00 N ATOM 1317 CA GLU A 81 0.878 8.268 -3.182 1.00 0.00 C ATOM 1318 C GLU A 81 1.718 7.450 -2.214 1.00 0.00 C ATOM 1319 O GLU A 81 2.211 7.961 -1.211 1.00 0.00 O ATOM 1320 CB GLU A 81 1.700 9.401 -3.778 1.00 0.00 C ATOM 1321 CG GLU A 81 1.010 10.109 -4.930 1.00 0.00 C ATOM 1322 CD GLU A 81 1.908 11.121 -5.602 1.00 0.00 C ATOM 1323 OE1 GLU A 81 2.253 12.133 -4.962 1.00 0.00 O ATOM 1324 OE2 GLU A 81 2.297 10.895 -6.769 1.00 0.00 O ATOM 0 H GLU A 81 -0.195 9.743 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 81 0.554 7.614 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.923 10.128 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.654 9.004 -4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.684 9.372 -5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.114 10.609 -4.562 1.00 0.00 H new ATOM 1331 N ILE A 82 1.859 6.173 -2.519 1.00 0.00 N ATOM 1332 CA ILE A 82 2.637 5.269 -1.697 1.00 0.00 C ATOM 1333 C ILE A 82 3.973 4.990 -2.367 1.00 0.00 C ATOM 1334 O ILE A 82 4.024 4.439 -3.468 1.00 0.00 O ATOM 1335 CB ILE A 82 1.896 3.934 -1.463 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.507 4.184 -0.865 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.707 3.011 -0.560 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.527 4.928 0.455 1.00 0.00 C ATOM 0 H ILE A 82 1.439 5.736 -3.340 1.00 0.00 H new ATOM 0 HA ILE A 82 2.793 5.747 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 82 1.774 3.443 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.088 4.751 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.007 3.226 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.163 2.078 -0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.669 2.800 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.869 3.495 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.494 5.065 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.093 4.353 1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.997 5.902 0.317 1.00 0.00 H new ATOM 1350 N VAL A 83 5.045 5.380 -1.710 1.00 0.00 N ATOM 1351 CA VAL A 83 6.376 5.167 -2.244 1.00 0.00 C ATOM 1352 C VAL A 83 6.893 3.815 -1.787 1.00 0.00 C ATOM 1353 O VAL A 83 6.996 3.556 -0.590 1.00 0.00 O ATOM 1354 CB VAL A 83 7.353 6.272 -1.795 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.700 6.106 -2.484 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.771 7.648 -2.078 1.00 0.00 C ATOM 0 H VAL A 83 5.022 5.847 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 83 6.312 5.198 -3.332 1.00 0.00 H new ATOM 0 HB VAL A 83 7.505 6.180 -0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.377 6.895 -2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.123 5.135 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.567 6.170 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.475 8.414 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.587 7.752 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.833 7.765 -1.536 1.00 0.00 H new ATOM 1366 N VAL A 84 7.190 2.944 -2.731 1.00 0.00 N ATOM 1367 CA VAL A 84 7.634 1.606 -2.399 1.00 0.00 C ATOM 1368 C VAL A 84 9.141 1.485 -2.563 1.00 0.00 C ATOM 1369 O VAL A 84 9.660 1.465 -3.680 1.00 0.00 O ATOM 1370 CB VAL A 84 6.927 0.543 -3.265 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.378 -0.851 -2.880 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.418 0.670 -3.143 1.00 0.00 C ATOM 0 H VAL A 84 7.132 3.138 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 84 7.372 1.426 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 84 7.203 0.714 -4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.866 -1.584 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.455 -0.938 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.138 -1.035 -1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.938 -0.089 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.124 0.530 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.108 1.660 -3.477 1.00 0.00 H new ATOM 1382 N PHE A 85 9.838 1.425 -1.439 1.00 0.00 N ATOM 1383 CA PHE A 85 11.277 1.237 -1.453 1.00 0.00 C ATOM 1384 C PHE A 85 11.597 -0.244 -1.397 1.00 0.00 C ATOM 1385 O PHE A 85 11.062 -0.978 -0.564 1.00 0.00 O ATOM 1386 CB PHE A 85 11.942 1.964 -0.281 1.00 0.00 C ATOM 1387 CG PHE A 85 12.002 3.457 -0.445 1.00 0.00 C ATOM 1388 CD1 PHE A 85 13.005 4.043 -1.201 1.00 0.00 C ATOM 1389 CD2 PHE A 85 11.065 4.277 0.163 1.00 0.00 C ATOM 1390 CE1 PHE A 85 13.073 5.415 -1.348 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.128 5.650 0.019 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.133 6.219 -0.737 1.00 0.00 C ATOM 0 H PHE A 85 9.430 1.504 -0.508 1.00 0.00 H new ATOM 0 HA PHE A 85 11.671 1.661 -2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.398 1.731 0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.955 1.581 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.743 3.419 -1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.276 3.838 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 85 13.861 5.857 -1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.391 6.278 0.498 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.183 7.292 -0.850 1.00 0.00 H new ATOM 1402 N LEU A 86 12.458 -0.682 -2.294 1.00 0.00 N ATOM 1403 CA LEU A 86 12.807 -2.082 -2.384 1.00 0.00 C ATOM 1404 C LEU A 86 14.100 -2.340 -1.636 1.00 0.00 C ATOM 1405 O LEU A 86 15.014 -1.515 -1.651 1.00 0.00 O ATOM 1406 CB LEU A 86 12.959 -2.518 -3.847 1.00 0.00 C ATOM 1407 CG LEU A 86 11.739 -2.271 -4.739 1.00 0.00 C ATOM 1408 CD1 LEU A 86 11.938 -2.904 -6.107 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.480 -2.812 -4.090 1.00 0.00 C ATOM 0 H LEU A 86 12.929 -0.084 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 86 12.003 -2.664 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.813 -1.995 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.193 -3.582 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 86 11.627 -1.194 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.060 -2.717 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.817 -2.471 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.080 -3.979 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.626 -2.625 -4.741 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.586 -3.885 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.322 -2.315 -3.133 1.00 0.00 H new ATOM 1421 N LYS A 87 14.179 -3.490 -0.995 1.00 0.00 N ATOM 1422 CA LYS A 87 15.368 -3.867 -0.250 1.00 0.00 C ATOM 1423 C LYS A 87 16.413 -4.442 -1.197 1.00 0.00 C ATOM 1424 O LYS A 87 16.976 -5.513 -0.967 1.00 0.00 O ATOM 1425 CB LYS A 87 14.999 -4.872 0.841 1.00 0.00 C ATOM 1426 CG LYS A 87 13.929 -4.349 1.789 1.00 0.00 C ATOM 1427 CD LYS A 87 14.366 -3.057 2.461 1.00 0.00 C ATOM 1428 CE LYS A 87 13.221 -2.409 3.223 1.00 0.00 C ATOM 1429 NZ LYS A 87 13.677 -1.238 4.019 1.00 0.00 N ATOM 0 H LYS A 87 13.431 -4.183 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 87 15.793 -2.985 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.647 -5.793 0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.892 -5.125 1.413 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.004 -4.179 1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.714 -5.101 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.189 -3.262 3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.742 -2.364 1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.450 -2.092 2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.765 -3.144 3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.867 -0.825 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.394 -1.544 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.089 -0.526 3.383 1.00 0.00 H new ATOM 1443 N SER A 88 16.668 -3.702 -2.265 1.00 0.00 N ATOM 1444 CA SER A 88 17.583 -4.132 -3.303 1.00 0.00 C ATOM 1445 C SER A 88 19.022 -3.798 -2.931 1.00 0.00 C ATOM 1446 O SER A 88 19.494 -2.685 -3.158 1.00 0.00 O ATOM 1447 CB SER A 88 17.219 -3.478 -4.637 1.00 0.00 C ATOM 1448 OG SER A 88 15.881 -3.782 -5.002 1.00 0.00 O ATOM 0 H SER A 88 16.246 -2.789 -2.434 1.00 0.00 H new ATOM 0 HA SER A 88 17.497 -5.214 -3.404 1.00 0.00 H new ATOM 0 HB2 SER A 88 17.343 -2.398 -4.563 1.00 0.00 H new ATOM 0 HB3 SER A 88 17.900 -3.825 -5.414 1.00 0.00 H new ATOM 0 HG SER A 88 15.669 -3.352 -5.857 1.00 0.00 H new ATOM 1454 N ILE A 89 19.700 -4.764 -2.336 1.00 0.00 N ATOM 1455 CA ILE A 89 21.115 -4.628 -2.019 1.00 0.00 C ATOM 1456 C ILE A 89 21.953 -5.189 -3.160 1.00 0.00 C ATOM 1457 O ILE A 89 23.177 -5.299 -3.068 1.00 0.00 O ATOM 1458 CB ILE A 89 21.469 -5.366 -0.714 1.00 0.00 C ATOM 1459 CG1 ILE A 89 21.043 -6.835 -0.802 1.00 0.00 C ATOM 1460 CG2 ILE A 89 20.807 -4.680 0.471 1.00 0.00 C ATOM 1461 CD1 ILE A 89 21.372 -7.646 0.431 1.00 0.00 C ATOM 0 H ILE A 89 19.292 -5.657 -2.060 1.00 0.00 H new ATOM 0 HA ILE A 89 21.331 -3.568 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 89 22.549 -5.333 -0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 89 19.968 -6.881 -0.978 1.00 0.00 H new ATOM 0 HG13 ILE A 89 21.528 -7.292 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.064 -5.210 1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 89 21.157 -3.650 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 89 19.725 -4.688 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.039 -8.674 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 89 22.449 -7.633 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 89 20.866 -7.216 1.295 1.00 0.00 H new ATOM 1473 N ASN A 90 21.274 -5.537 -4.240 1.00 0.00 N ATOM 1474 CA ASN A 90 21.912 -6.138 -5.394 1.00 0.00 C ATOM 1475 C ASN A 90 21.877 -5.178 -6.567 1.00 0.00 C ATOM 1476 O ASN A 90 20.800 -4.796 -7.030 1.00 0.00 O ATOM 1477 CB ASN A 90 21.201 -7.438 -5.782 1.00 0.00 C ATOM 1478 CG ASN A 90 21.109 -8.420 -4.633 1.00 0.00 C ATOM 1479 OD1 ASN A 90 20.153 -8.397 -3.853 1.00 0.00 O ATOM 1480 ND2 ASN A 90 22.087 -9.303 -4.531 1.00 0.00 N ATOM 0 H ASN A 90 20.267 -5.410 -4.339 1.00 0.00 H new ATOM 0 HA ASN A 90 22.948 -6.360 -5.137 1.00 0.00 H new ATOM 0 HB2 ASN A 90 20.197 -7.206 -6.137 1.00 0.00 H new ATOM 0 HB3 ASN A 90 21.733 -7.904 -6.611 1.00 0.00 H new ATOM 0 HD21 ASN A 90 22.069 -10.000 -3.786 1.00 0.00 H new ATOM 0 HD22 ASN A 90 22.859 -9.288 -5.197 1.00 0.00 H new ATOM 1487 N ARG A 91 23.049 -4.771 -7.028 1.00 0.00 N ATOM 1488 CA ARG A 91 23.152 -3.973 -8.238 1.00 0.00 C ATOM 1489 C ARG A 91 22.715 -4.819 -9.424 1.00 0.00 C ATOM 1490 O ARG A 91 21.942 -4.383 -10.276 1.00 0.00 O ATOM 1491 CB ARG A 91 24.588 -3.481 -8.429 1.00 0.00 C ATOM 1492 CG ARG A 91 24.798 -2.665 -9.693 1.00 0.00 C ATOM 1493 CD ARG A 91 26.268 -2.344 -9.899 1.00 0.00 C ATOM 1494 NE ARG A 91 27.090 -3.555 -9.903 1.00 0.00 N ATOM 1495 CZ ARG A 91 28.010 -3.829 -10.828 1.00 0.00 C ATOM 1496 NH1 ARG A 91 28.237 -2.973 -11.814 1.00 0.00 N ATOM 1497 NH2 ARG A 91 28.691 -4.965 -10.770 1.00 0.00 N ATOM 0 H ARG A 91 23.942 -4.980 -6.582 1.00 0.00 H new ATOM 0 HA ARG A 91 22.505 -3.099 -8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 91 24.872 -2.877 -7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 91 25.257 -4.342 -8.449 1.00 0.00 H new ATOM 0 HG2 ARG A 91 24.419 -3.217 -10.553 1.00 0.00 H new ATOM 0 HG3 ARG A 91 24.226 -1.739 -9.631 1.00 0.00 H new ATOM 0 HD2 ARG A 91 26.396 -1.814 -10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 91 26.609 -1.675 -9.109 1.00 0.00 H new ATOM 0 HE ARG A 91 26.950 -4.231 -9.152 1.00 0.00 H new ATOM 0 HH11 ARG A 91 27.707 -2.103 -11.866 1.00 0.00 H new ATOM 0 HH12 ARG A 91 28.941 -3.184 -12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 91 28.511 -5.630 -10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 91 29.395 -5.174 -11.478 1.00 0.00 H new ATOM 1511 N ALA A 92 23.209 -6.045 -9.452 1.00 0.00 N ATOM 1512 CA ALA A 92 22.773 -7.025 -10.427 1.00 0.00 C ATOM 1513 C ALA A 92 21.545 -7.753 -9.893 1.00 0.00 C ATOM 1514 O ALA A 92 21.631 -8.880 -9.402 1.00 0.00 O ATOM 1515 CB ALA A 92 23.893 -8.002 -10.746 1.00 0.00 C ATOM 0 H ALA A 92 23.919 -6.386 -8.803 1.00 0.00 H new ATOM 0 HA ALA A 92 22.508 -6.518 -11.355 1.00 0.00 H new ATOM 0 HB1 ALA A 92 23.544 -8.729 -11.480 1.00 0.00 H new ATOM 0 HB2 ALA A 92 24.746 -7.458 -11.152 1.00 0.00 H new ATOM 0 HB3 ALA A 92 24.193 -8.521 -9.836 1.00 0.00 H new ATOM 1521 N LYS A 93 20.413 -7.076 -9.954 1.00 0.00 N ATOM 1522 CA LYS A 93 19.168 -7.582 -9.398 1.00 0.00 C ATOM 1523 C LYS A 93 18.458 -8.499 -10.386 1.00 0.00 C ATOM 1524 O LYS A 93 18.727 -8.457 -11.589 1.00 0.00 O ATOM 1525 CB LYS A 93 18.262 -6.404 -9.030 1.00 0.00 C ATOM 1526 CG LYS A 93 17.946 -5.498 -10.209 1.00 0.00 C ATOM 1527 CD LYS A 93 17.205 -4.245 -9.779 1.00 0.00 C ATOM 1528 CE LYS A 93 16.776 -3.425 -10.986 1.00 0.00 C ATOM 1529 NZ LYS A 93 16.124 -2.147 -10.596 1.00 0.00 N ATOM 0 H LYS A 93 20.329 -6.158 -10.391 1.00 0.00 H new ATOM 0 HA LYS A 93 19.396 -8.164 -8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.330 -6.787 -8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.742 -5.816 -8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.873 -5.218 -10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.344 -6.044 -10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.329 -4.520 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.845 -3.643 -9.134 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.647 -3.212 -11.606 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.087 -4.011 -11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.849 -1.623 -11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.278 -2.349 -10.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.789 -1.574 -10.037 1.00 0.00 H new ATOM 1543 N ASP A 94 17.570 -9.335 -9.873 1.00 0.00 N ATOM 1544 CA ASP A 94 16.753 -10.194 -10.717 1.00 0.00 C ATOM 1545 C ASP A 94 15.289 -9.805 -10.590 1.00 0.00 C ATOM 1546 O ASP A 94 14.882 -8.822 -11.234 1.00 0.00 O ATOM 1547 CB ASP A 94 16.935 -11.671 -10.353 1.00 0.00 C ATOM 1548 CG ASP A 94 18.299 -12.198 -10.737 1.00 0.00 C ATOM 1549 OD1 ASP A 94 18.542 -12.410 -11.942 1.00 0.00 O ATOM 1550 OD2 ASP A 94 19.139 -12.403 -9.836 1.00 0.00 O ATOM 1551 OXT ASP A 94 14.549 -10.476 -9.838 1.00 0.00 O ATOM 0 H ASP A 94 17.396 -9.438 -8.873 1.00 0.00 H new ATOM 0 HA ASP A 94 17.077 -10.059 -11.749 1.00 0.00 H new ATOM 0 HB2 ASP A 94 16.789 -11.798 -9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.167 -12.262 -10.852 1.00 0.00 H new TER 1556 ASP A 94