USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1092 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 119 MET CE :methyl 168:sc= -0.942 (180deg=-1.17) USER MOD Set 1.2: A 123 HIS : no HD1:sc= -0.238 X(o=-1.2,f=-1.6) USER MOD Set 2.1: A 121 HIS : no HD1:sc= -0.91 K(o=-0.57,f=0.1) USER MOD Set 2.2: A 125 SER OG : rot -68:sc= 0.336 USER MOD Set 3.1: A 82 THR OG1 : rot -65:sc= -0.0789 USER MOD Set 3.2: A 89 LYS NZ :NH3+ -103:sc= -2.24! (180deg=-4.41!) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.00916) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.152 K(o=-0.15,f=-1.3!) USER MOD Single : A 4 GLN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.014) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -178:sc= -2.27! (180deg=-2.38!) USER MOD Single : A 13 GLN : amide:sc= -2.46 K(o=-2.5,f=-16!) USER MOD Single : A 20 GLN : amide:sc= -0.817 X(o=-0.82,f=-0.45) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= -0.0254 (180deg=-0.0853) USER MOD Single : A 23 ASN : amide:sc= -0.285 K(o=-0.29,f=-3!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.4) USER MOD Single : A 46 SER OG : rot 180:sc= -1.1 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -11.4! C(o=-11!,f=-22!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -160:sc= -0.0449 USER MOD Single : A 60 ASN : amide:sc= -5.35! C(o=-5.4!,f=-5.4!) USER MOD Single : A 61 THR OG1 : rot -54:sc=0.000694 USER MOD Single : A 63 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.6!) USER MOD Single : A 64 ASN : amide:sc= -0.368 K(o=-0.37,f=-4.2) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot -63:sc= 1.08 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= -0.125 (180deg=-0.351) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -2.72! C(o=-2.7!,f=-5.3!) USER MOD Single : A 88 GLN : amide:sc=-0.00156 X(o=-0.0016,f=-0.15) USER MOD Single : A 90 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.097) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.511) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.762 K(o=-0.76,f=-2.1!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.923 K(o=-0.92,f=-0.28) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.0878 X(o=-0.088,f=-0.011) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.468 2.910 26.118 1.00 0.00 N ATOM 2 CA MET A 1 -2.644 4.060 25.248 1.00 0.00 C ATOM 3 C MET A 1 -3.776 3.821 24.246 1.00 0.00 C ATOM 4 O MET A 1 -3.627 3.036 23.312 1.00 0.00 O ATOM 5 CB MET A 1 -1.342 4.333 24.492 1.00 0.00 C ATOM 6 CG MET A 1 -0.620 5.554 25.066 1.00 0.00 C ATOM 7 SD MET A 1 0.238 6.424 23.765 1.00 0.00 S ATOM 8 CE MET A 1 1.568 5.276 23.450 1.00 0.00 C ATOM 0 H1 MET A 1 -1.695 3.097 26.788 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.348 2.735 26.644 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.235 2.074 25.545 1.00 0.00 H new ATOM 0 HA MET A 1 -2.904 4.921 25.863 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.692 3.460 24.553 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.558 4.497 23.436 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.338 6.218 25.547 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.088 5.241 25.833 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.245 5.699 22.708 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.114 5.089 24.375 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.158 4.338 23.075 1.00 0.00 H new ATOM 18 N GLN A 2 -4.882 4.514 24.475 1.00 0.00 N ATOM 19 CA GLN A 2 -6.038 4.386 23.605 1.00 0.00 C ATOM 20 C GLN A 2 -5.861 5.254 22.357 1.00 0.00 C ATOM 21 O GLN A 2 -4.917 6.037 22.270 1.00 0.00 O ATOM 22 CB GLN A 2 -7.326 4.750 24.347 1.00 0.00 C ATOM 23 CG GLN A 2 -7.829 3.571 25.182 1.00 0.00 C ATOM 24 CD GLN A 2 -8.009 3.974 26.647 1.00 0.00 C ATOM 25 OE1 GLN A 2 -7.330 4.844 27.166 1.00 0.00 O ATOM 26 NE2 GLN A 2 -8.960 3.294 27.282 1.00 0.00 N ATOM 0 H GLN A 2 -5.002 5.166 25.250 1.00 0.00 H new ATOM 0 HA GLN A 2 -6.119 3.345 23.292 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.147 5.609 24.994 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.092 5.046 23.630 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.777 3.214 24.780 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.122 2.744 25.113 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.492 2.578 26.787 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -9.157 3.489 28.264 1.00 0.00 H new ATOM 35 N GLY A 3 -6.784 5.085 21.422 1.00 0.00 N ATOM 36 CA GLY A 3 -6.742 5.842 20.183 1.00 0.00 C ATOM 37 C GLY A 3 -8.124 5.902 19.529 1.00 0.00 C ATOM 38 O GLY A 3 -8.900 4.952 19.621 1.00 0.00 O ATOM 0 H GLY A 3 -7.566 4.434 21.498 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.386 6.853 20.382 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -6.031 5.383 19.496 1.00 0.00 H new ATOM 42 N GLN A 4 -8.390 7.029 18.884 1.00 0.00 N ATOM 43 CA GLN A 4 -9.665 7.225 18.215 1.00 0.00 C ATOM 44 C GLN A 4 -9.509 8.210 17.054 1.00 0.00 C ATOM 45 O GLN A 4 -9.929 9.362 17.153 1.00 0.00 O ATOM 46 CB GLN A 4 -10.733 7.703 19.200 1.00 0.00 C ATOM 47 CG GLN A 4 -12.135 7.340 18.708 1.00 0.00 C ATOM 48 CD GLN A 4 -13.198 8.196 19.401 1.00 0.00 C ATOM 49 OE1 GLN A 4 -13.329 9.384 19.160 1.00 0.00 O ATOM 50 NE2 GLN A 4 -13.947 7.527 20.273 1.00 0.00 N ATOM 0 H GLN A 4 -7.744 7.815 18.811 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.993 6.267 17.812 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.559 7.253 20.177 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.657 8.783 19.328 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.194 7.483 17.629 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.330 6.285 18.901 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.784 6.532 20.427 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.684 8.009 20.787 1.00 0.00 H new ATOM 59 N ASP A 5 -8.905 7.720 15.982 1.00 0.00 N ATOM 60 CA ASP A 5 -8.689 8.542 14.803 1.00 0.00 C ATOM 61 C ASP A 5 -9.161 7.782 13.562 1.00 0.00 C ATOM 62 O ASP A 5 -9.189 6.552 13.557 1.00 0.00 O ATOM 63 CB ASP A 5 -7.205 8.867 14.623 1.00 0.00 C ATOM 64 CG ASP A 5 -6.913 10.229 13.990 1.00 0.00 C ATOM 65 OD1 ASP A 5 -7.271 10.392 12.804 1.00 0.00 O ATOM 66 OD2 ASP A 5 -6.339 11.077 14.708 1.00 0.00 O ATOM 0 H ASP A 5 -8.558 6.764 15.905 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.248 9.469 14.931 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.718 8.824 15.597 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.751 8.092 14.006 1.00 0.00 H new ATOM 71 N ARG A 6 -9.519 8.545 12.540 1.00 0.00 N ATOM 72 CA ARG A 6 -9.988 7.959 11.297 1.00 0.00 C ATOM 73 C ARG A 6 -8.812 7.710 10.350 1.00 0.00 C ATOM 74 O ARG A 6 -8.888 6.853 9.472 1.00 0.00 O ATOM 75 CB ARG A 6 -11.005 8.871 10.607 1.00 0.00 C ATOM 76 CG ARG A 6 -12.427 8.329 10.771 1.00 0.00 C ATOM 77 CD ARG A 6 -13.211 8.444 9.462 1.00 0.00 C ATOM 78 NE ARG A 6 -14.487 7.701 9.570 1.00 0.00 N ATOM 79 CZ ARG A 6 -14.574 6.366 9.647 1.00 0.00 C ATOM 80 NH1 ARG A 6 -13.461 5.620 9.630 1.00 0.00 N ATOM 81 NH2 ARG A 6 -15.773 5.777 9.743 1.00 0.00 N ATOM 0 H ARG A 6 -9.494 9.565 12.548 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.471 7.012 11.539 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.944 9.874 11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.764 8.955 9.547 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.389 7.286 11.086 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.942 8.881 11.557 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.409 9.492 9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.618 8.048 8.637 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.354 8.239 9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.548 6.068 9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.527 4.604 9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.620 6.345 9.758 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -15.839 4.761 9.802 1.00 0.00 H new ATOM 95 N HIS A 7 -7.752 8.476 10.562 1.00 0.00 N ATOM 96 CA HIS A 7 -6.561 8.350 9.738 1.00 0.00 C ATOM 97 C HIS A 7 -5.704 7.190 10.250 1.00 0.00 C ATOM 98 O HIS A 7 -5.111 6.456 9.461 1.00 0.00 O ATOM 99 CB HIS A 7 -5.796 9.673 9.683 1.00 0.00 C ATOM 100 CG HIS A 7 -6.500 10.757 8.901 1.00 0.00 C ATOM 101 ND1 HIS A 7 -5.934 11.375 7.800 1.00 0.00 N ATOM 102 CD2 HIS A 7 -7.728 11.325 9.073 1.00 0.00 C ATOM 103 CE1 HIS A 7 -6.791 12.274 7.338 1.00 0.00 C ATOM 104 NE2 HIS A 7 -7.902 12.242 8.129 1.00 0.00 N ATOM 0 H HIS A 7 -7.693 9.186 11.292 1.00 0.00 H new ATOM 0 HA HIS A 7 -6.847 8.120 8.712 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -5.626 10.025 10.700 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -4.816 9.496 9.239 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -8.438 11.072 9.846 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.637 12.919 6.485 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.730 12.826 8.014 1.00 0.00 H new ATOM 112 N MET A 8 -5.666 7.062 11.568 1.00 0.00 N ATOM 113 CA MET A 8 -4.891 6.004 12.195 1.00 0.00 C ATOM 114 C MET A 8 -5.394 4.626 11.762 1.00 0.00 C ATOM 115 O MET A 8 -4.599 3.725 11.501 1.00 0.00 O ATOM 116 CB MET A 8 -4.992 6.130 13.716 1.00 0.00 C ATOM 117 CG MET A 8 -4.226 7.357 14.217 1.00 0.00 C ATOM 118 SD MET A 8 -4.189 7.367 16.002 1.00 0.00 S ATOM 119 CE MET A 8 -2.427 7.288 16.276 1.00 0.00 C ATOM 0 H MET A 8 -6.159 7.673 12.219 1.00 0.00 H new ATOM 0 HA MET A 8 -3.852 6.106 11.882 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.039 6.206 14.009 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.593 5.231 14.186 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.209 7.347 13.824 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.700 8.267 13.850 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.225 7.286 17.347 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.030 6.376 15.830 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.948 8.154 15.818 1.00 0.00 H new ATOM 129 N ILE A 9 -6.712 4.505 11.699 1.00 0.00 N ATOM 130 CA ILE A 9 -7.331 3.252 11.303 1.00 0.00 C ATOM 131 C ILE A 9 -7.262 3.114 9.780 1.00 0.00 C ATOM 132 O ILE A 9 -7.409 2.015 9.246 1.00 0.00 O ATOM 133 CB ILE A 9 -8.750 3.153 11.866 1.00 0.00 C ATOM 134 CG1 ILE A 9 -9.595 4.355 11.438 1.00 0.00 C ATOM 135 CG2 ILE A 9 -8.726 2.981 13.386 1.00 0.00 C ATOM 136 CD1 ILE A 9 -10.781 3.914 10.578 1.00 0.00 C ATOM 0 H ILE A 9 -7.369 5.255 11.916 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.787 2.408 11.726 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.222 2.263 11.449 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.957 4.882 12.321 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.977 5.058 10.879 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.747 2.913 13.761 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.185 2.070 13.641 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.229 3.837 13.841 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.365 4.788 10.288 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.415 3.409 9.684 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.410 3.231 11.149 1.00 0.00 H new ATOM 148 N ARG A 10 -7.039 4.243 9.125 1.00 0.00 N ATOM 149 CA ARG A 10 -6.950 4.262 7.675 1.00 0.00 C ATOM 150 C ARG A 10 -5.628 3.642 7.217 1.00 0.00 C ATOM 151 O ARG A 10 -5.561 3.028 6.153 1.00 0.00 O ATOM 152 CB ARG A 10 -7.049 5.690 7.135 1.00 0.00 C ATOM 153 CG ARG A 10 -7.270 5.690 5.621 1.00 0.00 C ATOM 154 CD ARG A 10 -8.676 5.197 5.272 1.00 0.00 C ATOM 155 NE ARG A 10 -9.586 6.349 5.090 1.00 0.00 N ATOM 156 CZ ARG A 10 -10.333 6.878 6.069 1.00 0.00 C ATOM 157 NH1 ARG A 10 -10.282 6.362 7.304 1.00 0.00 N ATOM 158 NH2 ARG A 10 -11.130 7.924 5.812 1.00 0.00 N ATOM 0 H ARG A 10 -6.917 5.152 9.572 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.784 3.680 7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.870 6.212 7.626 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.136 6.237 7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.126 6.697 5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.528 5.052 5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.645 4.600 4.361 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.050 4.549 6.065 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.649 6.767 4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.675 5.566 7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.851 6.765 8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.168 8.317 4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.699 8.327 6.557 1.00 0.00 H new ATOM 172 N MET A 11 -4.608 3.824 8.043 1.00 0.00 N ATOM 173 CA MET A 11 -3.292 3.290 7.737 1.00 0.00 C ATOM 174 C MET A 11 -3.071 1.943 8.429 1.00 0.00 C ATOM 175 O MET A 11 -2.377 1.076 7.901 1.00 0.00 O ATOM 176 CB MET A 11 -2.220 4.281 8.194 1.00 0.00 C ATOM 177 CG MET A 11 -2.423 4.672 9.659 1.00 0.00 C ATOM 178 SD MET A 11 -0.867 5.160 10.383 1.00 0.00 S ATOM 179 CE MET A 11 -1.456 6.120 11.767 1.00 0.00 C ATOM 0 H MET A 11 -4.667 4.334 8.924 1.00 0.00 H new ATOM 0 HA MET A 11 -3.224 3.139 6.660 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.232 3.838 8.066 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.254 5.173 7.568 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.139 5.491 9.729 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.844 3.833 10.213 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.607 6.533 12.311 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.085 6.933 11.404 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.037 5.481 12.432 1.00 0.00 H new ATOM 189 N ARG A 12 -3.676 1.811 9.601 1.00 0.00 N ATOM 190 CA ARG A 12 -3.554 0.584 10.370 1.00 0.00 C ATOM 191 C ARG A 12 -4.214 -0.578 9.626 1.00 0.00 C ATOM 192 O ARG A 12 -3.542 -1.531 9.236 1.00 0.00 O ATOM 193 CB ARG A 12 -4.203 0.732 11.748 1.00 0.00 C ATOM 194 CG ARG A 12 -3.225 1.345 12.752 1.00 0.00 C ATOM 195 CD ARG A 12 -3.593 0.955 14.185 1.00 0.00 C ATOM 196 NE ARG A 12 -4.213 2.105 14.879 1.00 0.00 N ATOM 197 CZ ARG A 12 -4.988 1.997 15.967 1.00 0.00 C ATOM 198 NH1 ARG A 12 -5.242 0.790 16.491 1.00 0.00 N ATOM 199 NH2 ARG A 12 -5.508 3.095 16.531 1.00 0.00 N ATOM 0 H ARG A 12 -4.251 2.532 10.036 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.491 0.379 10.500 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.091 1.360 11.670 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.533 -0.244 12.105 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.212 1.010 12.529 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.231 2.431 12.654 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.282 0.111 14.175 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.702 0.632 14.723 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.040 3.038 14.506 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.845 -0.046 16.062 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.832 0.707 17.319 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.314 4.014 16.132 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.098 3.012 17.359 1.00 0.00 H new ATOM 213 N GLN A 13 -5.522 -0.460 9.450 1.00 0.00 N ATOM 214 CA GLN A 13 -6.280 -1.489 8.759 1.00 0.00 C ATOM 215 C GLN A 13 -5.547 -1.926 7.489 1.00 0.00 C ATOM 216 O GLN A 13 -5.598 -3.095 7.110 1.00 0.00 O ATOM 217 CB GLN A 13 -7.695 -1.004 8.436 1.00 0.00 C ATOM 218 CG GLN A 13 -8.664 -1.343 9.570 1.00 0.00 C ATOM 219 CD GLN A 13 -8.527 -0.348 10.724 1.00 0.00 C ATOM 220 OE1 GLN A 13 -7.507 0.295 10.906 1.00 0.00 O ATOM 221 NE2 GLN A 13 -9.610 -0.258 11.492 1.00 0.00 N ATOM 0 H GLN A 13 -6.076 0.333 9.774 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.369 -2.352 9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.685 0.073 8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.038 -1.465 7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.687 -1.331 9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.468 -2.353 9.931 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.432 -0.826 11.284 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.619 0.379 12.289 1.00 0.00 H new ATOM 230 N LEU A 14 -4.882 -0.963 6.867 1.00 0.00 N ATOM 231 CA LEU A 14 -4.139 -1.234 5.648 1.00 0.00 C ATOM 232 C LEU A 14 -2.981 -2.182 5.962 1.00 0.00 C ATOM 233 O LEU A 14 -2.995 -3.342 5.552 1.00 0.00 O ATOM 234 CB LEU A 14 -3.701 0.074 4.986 1.00 0.00 C ATOM 235 CG LEU A 14 -4.508 0.509 3.761 1.00 0.00 C ATOM 236 CD1 LEU A 14 -3.883 1.740 3.102 1.00 0.00 C ATOM 237 CD2 LEU A 14 -4.674 -0.648 2.774 1.00 0.00 C ATOM 0 H LEU A 14 -4.842 0.006 7.184 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.774 -1.737 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.751 0.869 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.656 -0.023 4.692 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.506 0.794 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.476 2.028 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.861 2.563 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.866 1.507 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.251 -0.312 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.693 -0.987 2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.197 -1.471 3.262 1.00 0.00 H new ATOM 249 N ILE A 15 -2.005 -1.655 6.687 1.00 0.00 N ATOM 250 CA ILE A 15 -0.841 -2.440 7.060 1.00 0.00 C ATOM 251 C ILE A 15 -1.297 -3.807 7.573 1.00 0.00 C ATOM 252 O ILE A 15 -0.681 -4.827 7.265 1.00 0.00 O ATOM 253 CB ILE A 15 0.028 -1.669 8.055 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.753 -0.510 7.367 1.00 0.00 C ATOM 255 CG2 ILE A 15 1.000 -2.606 8.776 1.00 0.00 C ATOM 256 CD1 ILE A 15 0.225 0.838 7.861 1.00 0.00 C ATOM 0 H ILE A 15 -1.997 -0.693 7.026 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.208 -2.620 6.191 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.624 -1.236 8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.823 -0.579 7.562 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.620 -0.583 6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.606 -2.032 9.477 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.438 -3.366 9.319 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.650 -3.088 8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.757 1.644 7.356 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.840 0.914 7.643 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.381 0.918 8.937 1.00 0.00 H new ATOM 268 N ASP A 16 -2.373 -3.785 8.347 1.00 0.00 N ATOM 269 CA ASP A 16 -2.918 -5.011 8.905 1.00 0.00 C ATOM 270 C ASP A 16 -3.498 -5.866 7.777 1.00 0.00 C ATOM 271 O ASP A 16 -3.218 -7.061 7.693 1.00 0.00 O ATOM 272 CB ASP A 16 -4.043 -4.711 9.898 1.00 0.00 C ATOM 273 CG ASP A 16 -3.984 -5.507 11.203 1.00 0.00 C ATOM 274 OD1 ASP A 16 -2.898 -5.503 11.821 1.00 0.00 O ATOM 275 OD2 ASP A 16 -5.027 -6.101 11.553 1.00 0.00 O ATOM 0 H ASP A 16 -2.881 -2.938 8.600 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.113 -5.535 9.420 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.022 -3.648 10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.998 -4.909 9.412 1.00 0.00 H new ATOM 280 N ILE A 17 -4.296 -5.221 6.939 1.00 0.00 N ATOM 281 CA ILE A 17 -4.918 -5.908 5.820 1.00 0.00 C ATOM 282 C ILE A 17 -3.845 -6.661 5.029 1.00 0.00 C ATOM 283 O ILE A 17 -4.040 -7.817 4.658 1.00 0.00 O ATOM 284 CB ILE A 17 -5.730 -4.926 4.973 1.00 0.00 C ATOM 285 CG1 ILE A 17 -7.188 -4.882 5.432 1.00 0.00 C ATOM 286 CG2 ILE A 17 -5.608 -5.256 3.483 1.00 0.00 C ATOM 287 CD1 ILE A 17 -7.942 -3.737 4.754 1.00 0.00 C ATOM 0 H ILE A 17 -4.526 -4.230 7.012 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.631 -6.651 6.178 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.317 -3.928 5.117 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.674 -5.830 5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.229 -4.758 6.514 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.194 -4.543 2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.562 -5.196 3.181 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.980 -6.264 3.302 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.976 -3.728 5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.468 -2.789 5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.920 -3.877 3.673 1.00 0.00 H new ATOM 299 N VAL A 18 -2.736 -5.975 4.796 1.00 0.00 N ATOM 300 CA VAL A 18 -1.633 -6.564 4.057 1.00 0.00 C ATOM 301 C VAL A 18 -1.132 -7.805 4.800 1.00 0.00 C ATOM 302 O VAL A 18 -1.215 -8.918 4.282 1.00 0.00 O ATOM 303 CB VAL A 18 -0.538 -5.520 3.831 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.438 -5.976 2.744 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.142 -4.157 3.489 1.00 0.00 C ATOM 0 H VAL A 18 -2.578 -5.016 5.106 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.964 -6.887 3.070 1.00 0.00 H new ATOM 0 HB VAL A 18 0.021 -5.414 4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.206 -5.216 2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.906 -6.913 3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.102 -6.124 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.342 -3.433 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.738 -4.241 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.777 -3.824 4.310 1.00 0.00 H new ATOM 315 N ASP A 19 -0.624 -7.571 6.001 1.00 0.00 N ATOM 316 CA ASP A 19 -0.110 -8.656 6.820 1.00 0.00 C ATOM 317 C ASP A 19 -1.154 -9.772 6.895 1.00 0.00 C ATOM 318 O ASP A 19 -0.816 -10.927 7.149 1.00 0.00 O ATOM 319 CB ASP A 19 0.177 -8.181 8.245 1.00 0.00 C ATOM 320 CG ASP A 19 0.701 -9.261 9.194 1.00 0.00 C ATOM 321 OD1 ASP A 19 -0.147 -10.019 9.714 1.00 0.00 O ATOM 322 OD2 ASP A 19 1.936 -9.305 9.378 1.00 0.00 O ATOM 0 H ASP A 19 -0.557 -6.646 6.427 1.00 0.00 H new ATOM 0 HA ASP A 19 0.814 -9.013 6.365 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.906 -7.372 8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.739 -7.764 8.664 1.00 0.00 H new ATOM 327 N GLN A 20 -2.402 -9.387 6.668 1.00 0.00 N ATOM 328 CA GLN A 20 -3.497 -10.341 6.707 1.00 0.00 C ATOM 329 C GLN A 20 -3.481 -11.218 5.453 1.00 0.00 C ATOM 330 O GLN A 20 -3.529 -12.444 5.549 1.00 0.00 O ATOM 331 CB GLN A 20 -4.841 -9.626 6.858 1.00 0.00 C ATOM 332 CG GLN A 20 -5.761 -10.385 7.817 1.00 0.00 C ATOM 333 CD GLN A 20 -5.204 -10.367 9.241 1.00 0.00 C ATOM 334 OE1 GLN A 20 -5.297 -9.385 9.960 1.00 0.00 O ATOM 335 NE2 GLN A 20 -4.621 -11.505 9.609 1.00 0.00 N ATOM 0 H GLN A 20 -2.678 -8.428 6.457 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.364 -10.983 7.578 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.679 -8.614 7.229 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.321 -9.536 5.883 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.754 -9.936 7.806 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.873 -11.415 7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.577 -12.289 8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.218 -11.593 10.542 1.00 0.00 H new ATOM 344 N LEU A 21 -3.414 -10.557 4.307 1.00 0.00 N ATOM 345 CA LEU A 21 -3.391 -11.261 3.037 1.00 0.00 C ATOM 346 C LEU A 21 -2.141 -12.141 2.969 1.00 0.00 C ATOM 347 O LEU A 21 -2.218 -13.308 2.588 1.00 0.00 O ATOM 348 CB LEU A 21 -3.513 -10.274 1.874 1.00 0.00 C ATOM 349 CG LEU A 21 -2.955 -10.748 0.531 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.430 -10.859 0.578 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.612 -12.060 0.097 1.00 0.00 C ATOM 0 H LEU A 21 -3.375 -9.541 4.232 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.253 -11.923 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.567 -10.028 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.003 -9.351 2.151 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.200 -10.000 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.060 -11.198 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.001 -9.884 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.141 -11.574 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.198 -12.375 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.420 -12.828 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.687 -11.913 -0.004 1.00 0.00 H new ATOM 363 N LYS A 22 -1.017 -11.547 3.343 1.00 0.00 N ATOM 364 CA LYS A 22 0.248 -12.261 3.329 1.00 0.00 C ATOM 365 C LYS A 22 0.055 -13.643 3.957 1.00 0.00 C ATOM 366 O LYS A 22 0.325 -14.661 3.321 1.00 0.00 O ATOM 367 CB LYS A 22 1.341 -11.428 4.001 1.00 0.00 C ATOM 368 CG LYS A 22 2.086 -10.572 2.975 1.00 0.00 C ATOM 369 CD LYS A 22 2.215 -9.125 3.457 1.00 0.00 C ATOM 370 CE LYS A 22 3.293 -9.001 4.535 1.00 0.00 C ATOM 371 NZ LYS A 22 3.353 -7.615 5.051 1.00 0.00 N ATOM 0 H LYS A 22 -0.956 -10.579 3.658 1.00 0.00 H new ATOM 0 HA LYS A 22 0.585 -12.419 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.898 -10.786 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.045 -12.087 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.077 -10.990 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.556 -10.596 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.461 -8.478 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.259 -8.783 3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.080 -9.691 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.262 -9.284 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.184 -7.510 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.426 -6.951 4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.491 -7.410 5.595 1.00 0.00 H new ATOM 385 N ASN A 23 -0.410 -13.635 5.198 1.00 0.00 N ATOM 386 CA ASN A 23 -0.642 -14.875 5.918 1.00 0.00 C ATOM 387 C ASN A 23 -1.327 -15.879 4.989 1.00 0.00 C ATOM 388 O ASN A 23 -1.172 -17.088 5.154 1.00 0.00 O ATOM 389 CB ASN A 23 -1.556 -14.648 7.125 1.00 0.00 C ATOM 390 CG ASN A 23 -0.749 -14.613 8.424 1.00 0.00 C ATOM 391 OD1 ASN A 23 0.451 -14.834 8.447 1.00 0.00 O ATOM 392 ND2 ASN A 23 -1.472 -14.324 9.502 1.00 0.00 N ATOM 0 H ASN A 23 -0.632 -12.789 5.723 1.00 0.00 H new ATOM 0 HA ASN A 23 0.322 -15.251 6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.098 -13.710 7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.301 -15.442 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.026 -14.277 10.418 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.473 -14.150 9.413 1.00 0.00 H new ATOM 399 N TYR A 24 -2.069 -15.341 4.033 1.00 0.00 N ATOM 400 CA TYR A 24 -2.778 -16.176 3.077 1.00 0.00 C ATOM 401 C TYR A 24 -2.121 -16.108 1.697 1.00 0.00 C ATOM 402 O TYR A 24 -2.801 -15.919 0.690 1.00 0.00 O ATOM 403 CB TYR A 24 -4.193 -15.601 2.984 1.00 0.00 C ATOM 404 CG TYR A 24 -5.022 -15.779 4.257 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.389 -17.044 4.670 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.403 -14.675 4.992 1.00 0.00 C ATOM 407 CE1 TYR A 24 -6.170 -17.212 5.868 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.184 -14.843 6.191 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.529 -16.103 6.570 1.00 0.00 C ATOM 410 OH TYR A 24 -7.266 -16.262 7.701 1.00 0.00 O ATOM 0 H TYR A 24 -2.195 -14.338 3.899 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.770 -17.218 3.397 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.128 -14.538 2.751 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.714 -16.078 2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.090 -17.908 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.116 -13.685 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.464 -18.196 6.202 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.489 -13.988 6.776 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.448 -15.385 8.099 1.00 0.00 H new ATOM 420 N VAL A 25 -0.805 -16.266 1.695 1.00 0.00 N ATOM 421 CA VAL A 25 -0.049 -16.226 0.456 1.00 0.00 C ATOM 422 C VAL A 25 -0.337 -17.491 -0.355 1.00 0.00 C ATOM 423 O VAL A 25 -0.201 -17.494 -1.577 1.00 0.00 O ATOM 424 CB VAL A 25 1.439 -16.035 0.757 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.301 -16.517 -0.412 1.00 0.00 C ATOM 426 CG2 VAL A 25 1.747 -14.576 1.100 1.00 0.00 C ATOM 0 H VAL A 25 -0.244 -16.422 2.532 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.357 -15.374 -0.151 1.00 0.00 H new ATOM 0 HB VAL A 25 1.685 -16.643 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.354 -16.370 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.114 -17.576 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.050 -15.949 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.811 -14.468 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.477 -13.939 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.173 -14.279 1.978 1.00 0.00 H new ATOM 436 N ASN A 26 -0.730 -18.536 0.359 1.00 0.00 N ATOM 437 CA ASN A 26 -1.038 -19.805 -0.278 1.00 0.00 C ATOM 438 C ASN A 26 -2.067 -19.576 -1.387 1.00 0.00 C ATOM 439 O ASN A 26 -2.210 -20.404 -2.286 1.00 0.00 O ATOM 440 CB ASN A 26 -1.636 -20.794 0.725 1.00 0.00 C ATOM 441 CG ASN A 26 -1.239 -22.231 0.381 1.00 0.00 C ATOM 442 OD1 ASN A 26 -0.348 -22.483 -0.414 1.00 0.00 O ATOM 443 ND2 ASN A 26 -1.946 -23.156 1.023 1.00 0.00 N ATOM 0 H ASN A 26 -0.842 -18.530 1.373 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.111 -20.215 -0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.294 -20.549 1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.722 -20.704 0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.756 -24.145 0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.678 -22.876 1.676 1.00 0.00 H new ATOM 450 N ASP A 27 -2.757 -18.449 -1.288 1.00 0.00 N ATOM 451 CA ASP A 27 -3.768 -18.102 -2.271 1.00 0.00 C ATOM 452 C ASP A 27 -3.378 -16.790 -2.956 1.00 0.00 C ATOM 453 O ASP A 27 -4.207 -15.893 -3.105 1.00 0.00 O ATOM 454 CB ASP A 27 -5.134 -17.902 -1.611 1.00 0.00 C ATOM 455 CG ASP A 27 -5.899 -19.192 -1.306 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.261 -20.113 -0.753 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.105 -19.227 -1.634 1.00 0.00 O ATOM 0 H ASP A 27 -2.635 -17.765 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.832 -18.918 -2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.994 -17.351 -0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.747 -17.278 -2.261 1.00 0.00 H new ATOM 462 N LEU A 28 -2.116 -16.720 -3.354 1.00 0.00 N ATOM 463 CA LEU A 28 -1.606 -15.533 -4.019 1.00 0.00 C ATOM 464 C LEU A 28 -1.097 -15.912 -5.410 1.00 0.00 C ATOM 465 O LEU A 28 -0.267 -16.810 -5.548 1.00 0.00 O ATOM 466 CB LEU A 28 -0.557 -14.840 -3.147 1.00 0.00 C ATOM 467 CG LEU A 28 -1.085 -13.789 -2.169 1.00 0.00 C ATOM 468 CD1 LEU A 28 0.066 -13.029 -1.506 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.073 -12.845 -2.858 1.00 0.00 C ATOM 0 H LEU A 28 -1.432 -17.466 -3.229 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.403 -14.803 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.026 -15.603 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.173 -14.364 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.630 -14.303 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.337 -12.288 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.697 -13.729 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.659 -12.528 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.433 -12.108 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.575 -12.335 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.916 -13.419 -3.243 1.00 0.00 H new ATOM 481 N VAL A 29 -1.615 -15.210 -6.407 1.00 0.00 N ATOM 482 CA VAL A 29 -1.223 -15.462 -7.783 1.00 0.00 C ATOM 483 C VAL A 29 -0.056 -14.545 -8.153 1.00 0.00 C ATOM 484 O VAL A 29 -0.190 -13.323 -8.127 1.00 0.00 O ATOM 485 CB VAL A 29 -2.430 -15.298 -8.710 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.546 -13.855 -9.207 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.359 -16.278 -9.882 1.00 0.00 C ATOM 0 H VAL A 29 -2.303 -14.466 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.878 -16.489 -7.899 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.328 -15.528 -8.136 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.411 -13.765 -9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.666 -13.185 -8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.644 -13.586 -9.756 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.228 -16.140 -10.525 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.451 -16.094 -10.456 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.347 -17.300 -9.502 1.00 0.00 H new ATOM 497 N PRO A 30 1.093 -15.187 -8.497 1.00 0.00 N ATOM 498 CA PRO A 30 2.283 -14.442 -8.872 1.00 0.00 C ATOM 499 C PRO A 30 2.145 -13.860 -10.280 1.00 0.00 C ATOM 500 O PRO A 30 2.232 -14.588 -11.267 1.00 0.00 O ATOM 501 CB PRO A 30 3.425 -15.437 -8.749 1.00 0.00 C ATOM 502 CG PRO A 30 2.781 -16.814 -8.763 1.00 0.00 C ATOM 503 CD PRO A 30 1.288 -16.633 -8.539 1.00 0.00 C ATOM 0 HA PRO A 30 2.456 -13.576 -8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.130 -15.327 -9.573 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.985 -15.277 -7.828 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.967 -17.312 -9.714 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.210 -17.444 -7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.709 -17.088 -9.343 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.967 -17.103 -7.609 1.00 0.00 H new ATOM 511 N GLU A 31 1.931 -12.553 -10.327 1.00 0.00 N ATOM 512 CA GLU A 31 1.781 -11.865 -11.598 1.00 0.00 C ATOM 513 C GLU A 31 2.651 -10.607 -11.627 1.00 0.00 C ATOM 514 O GLU A 31 3.084 -10.123 -10.582 1.00 0.00 O ATOM 515 CB GLU A 31 0.314 -11.523 -11.866 1.00 0.00 C ATOM 516 CG GLU A 31 -0.402 -12.684 -12.558 1.00 0.00 C ATOM 517 CD GLU A 31 0.012 -12.786 -14.028 1.00 0.00 C ATOM 518 OE1 GLU A 31 0.056 -11.720 -14.680 1.00 0.00 O ATOM 519 OE2 GLU A 31 0.275 -13.927 -14.465 1.00 0.00 O ATOM 0 H GLU A 31 1.858 -11.953 -9.506 1.00 0.00 H new ATOM 0 HA GLU A 31 2.116 -12.533 -12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.187 -11.291 -10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.253 -10.630 -12.489 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.169 -13.617 -12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.481 -12.543 -12.489 1.00 0.00 H new ATOM 526 N PHE A 32 2.881 -10.113 -12.835 1.00 0.00 N ATOM 527 CA PHE A 32 3.692 -8.920 -13.013 1.00 0.00 C ATOM 528 C PHE A 32 3.008 -7.696 -12.403 1.00 0.00 C ATOM 529 O PHE A 32 2.191 -7.047 -13.055 1.00 0.00 O ATOM 530 CB PHE A 32 3.846 -8.706 -14.520 1.00 0.00 C ATOM 531 CG PHE A 32 4.784 -9.707 -15.199 1.00 0.00 C ATOM 532 CD1 PHE A 32 6.084 -9.790 -14.811 1.00 0.00 C ATOM 533 CD2 PHE A 32 4.316 -10.513 -16.190 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.955 -10.719 -15.441 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.186 -11.441 -16.819 1.00 0.00 C ATOM 536 CZ PHE A 32 6.487 -11.525 -16.432 1.00 0.00 C ATOM 0 H PHE A 32 2.520 -10.517 -13.699 1.00 0.00 H new ATOM 0 HA PHE A 32 4.655 -9.047 -12.519 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.864 -8.770 -14.988 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.219 -7.697 -14.697 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.455 -9.150 -14.024 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.283 -10.447 -16.498 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.988 -10.785 -15.133 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.815 -12.081 -17.606 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.149 -12.231 -16.911 1.00 0.00 H new ATOM 546 N LEU A 33 3.367 -7.416 -11.159 1.00 0.00 N ATOM 547 CA LEU A 33 2.798 -6.280 -10.453 1.00 0.00 C ATOM 548 C LEU A 33 3.849 -5.174 -10.344 1.00 0.00 C ATOM 549 O LEU A 33 5.006 -5.441 -10.023 1.00 0.00 O ATOM 550 CB LEU A 33 2.225 -6.720 -9.104 1.00 0.00 C ATOM 551 CG LEU A 33 0.705 -6.632 -8.960 1.00 0.00 C ATOM 552 CD1 LEU A 33 0.005 -7.094 -10.240 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.224 -7.408 -7.732 1.00 0.00 C ATOM 0 H LEU A 33 4.045 -7.956 -10.621 1.00 0.00 H new ATOM 0 HA LEU A 33 1.957 -5.867 -11.011 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.528 -7.751 -8.922 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.680 -6.111 -8.323 1.00 0.00 H new ATOM 0 HG LEU A 33 0.437 -5.587 -8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.075 -7.021 -10.111 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.314 -6.462 -11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.276 -8.129 -10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.860 -7.329 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.505 -8.456 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.684 -6.992 -6.836 1.00 0.00 H new ATOM 565 N PRO A 34 3.397 -3.922 -10.626 1.00 0.00 N ATOM 566 CA PRO A 34 4.286 -2.774 -10.563 1.00 0.00 C ATOM 567 C PRO A 34 4.573 -2.382 -9.112 1.00 0.00 C ATOM 568 O PRO A 34 3.663 -2.339 -8.285 1.00 0.00 O ATOM 569 CB PRO A 34 3.574 -1.682 -11.343 1.00 0.00 C ATOM 570 CG PRO A 34 2.116 -2.106 -11.418 1.00 0.00 C ATOM 571 CD PRO A 34 2.034 -3.568 -11.010 1.00 0.00 C ATOM 0 HA PRO A 34 5.267 -2.977 -10.993 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.675 -0.717 -10.845 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.001 -1.573 -12.340 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.505 -1.491 -10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.730 -1.969 -12.428 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.340 -3.710 -10.182 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.680 -4.190 -11.833 1.00 0.00 H new ATOM 579 N ALA A 35 5.841 -2.106 -8.847 1.00 0.00 N ATOM 580 CA ALA A 35 6.259 -1.719 -7.510 1.00 0.00 C ATOM 581 C ALA A 35 7.254 -0.561 -7.607 1.00 0.00 C ATOM 582 O ALA A 35 8.318 -0.701 -8.209 1.00 0.00 O ATOM 583 CB ALA A 35 6.846 -2.933 -6.787 1.00 0.00 C ATOM 0 H ALA A 35 6.593 -2.143 -9.535 1.00 0.00 H new ATOM 0 HA ALA A 35 5.406 -1.373 -6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.160 -2.643 -5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.091 -3.716 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.706 -3.306 -7.342 1.00 0.00 H new ATOM 589 N PRO A 36 6.864 0.586 -6.990 1.00 0.00 N ATOM 590 CA PRO A 36 7.710 1.768 -7.001 1.00 0.00 C ATOM 591 C PRO A 36 8.886 1.608 -6.036 1.00 0.00 C ATOM 592 O PRO A 36 8.702 1.611 -4.820 1.00 0.00 O ATOM 593 CB PRO A 36 6.786 2.916 -6.627 1.00 0.00 C ATOM 594 CG PRO A 36 5.573 2.278 -5.970 1.00 0.00 C ATOM 595 CD PRO A 36 5.611 0.788 -6.267 1.00 0.00 C ATOM 0 HA PRO A 36 8.172 1.947 -7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.280 3.609 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.497 3.488 -7.509 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.585 2.453 -4.894 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.654 2.720 -6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.584 0.200 -5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.754 0.482 -6.867 1.00 0.00 H new ATOM 603 N GLU A 37 10.071 1.474 -6.615 1.00 0.00 N ATOM 604 CA GLU A 37 11.278 1.314 -5.822 1.00 0.00 C ATOM 605 C GLU A 37 11.962 2.667 -5.617 1.00 0.00 C ATOM 606 O GLU A 37 12.340 3.328 -6.584 1.00 0.00 O ATOM 607 CB GLU A 37 12.232 0.310 -6.471 1.00 0.00 C ATOM 608 CG GLU A 37 13.230 -0.238 -5.450 1.00 0.00 C ATOM 609 CD GLU A 37 14.165 -1.265 -6.093 1.00 0.00 C ATOM 610 OE1 GLU A 37 13.649 -2.334 -6.485 1.00 0.00 O ATOM 611 OE2 GLU A 37 15.373 -0.957 -6.177 1.00 0.00 O ATOM 0 H GLU A 37 10.220 1.473 -7.624 1.00 0.00 H new ATOM 0 HA GLU A 37 10.998 0.919 -4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.661 -0.512 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.770 0.790 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.816 0.581 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.692 -0.699 -4.622 1.00 0.00 H new ATOM 618 N ASP A 38 12.100 3.039 -4.353 1.00 0.00 N ATOM 619 CA ASP A 38 12.732 4.302 -4.010 1.00 0.00 C ATOM 620 C ASP A 38 11.782 5.452 -4.350 1.00 0.00 C ATOM 621 O ASP A 38 11.732 5.903 -5.493 1.00 0.00 O ATOM 622 CB ASP A 38 14.024 4.505 -4.805 1.00 0.00 C ATOM 623 CG ASP A 38 15.262 4.812 -3.959 1.00 0.00 C ATOM 624 OD1 ASP A 38 15.066 5.218 -2.793 1.00 0.00 O ATOM 625 OD2 ASP A 38 16.375 4.632 -4.498 1.00 0.00 O ATOM 0 H ASP A 38 11.785 2.488 -3.554 1.00 0.00 H new ATOM 0 HA ASP A 38 12.963 4.285 -2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.217 3.607 -5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.874 5.321 -5.512 1.00 0.00 H new ATOM 630 N VAL A 39 11.053 5.894 -3.336 1.00 0.00 N ATOM 631 CA VAL A 39 10.107 6.983 -3.512 1.00 0.00 C ATOM 632 C VAL A 39 10.574 8.194 -2.702 1.00 0.00 C ATOM 633 O VAL A 39 10.884 8.071 -1.518 1.00 0.00 O ATOM 634 CB VAL A 39 8.699 6.519 -3.137 1.00 0.00 C ATOM 635 CG1 VAL A 39 7.807 6.416 -4.376 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.743 5.189 -2.381 1.00 0.00 C ATOM 0 H VAL A 39 11.098 5.518 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 39 10.066 7.288 -4.558 1.00 0.00 H new ATOM 0 HB VAL A 39 8.266 7.267 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.812 6.084 -4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.737 7.392 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.237 5.698 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.729 4.882 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.206 4.428 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.326 5.309 -1.468 1.00 0.00 H new ATOM 646 N GLU A 40 10.608 9.336 -3.372 1.00 0.00 N ATOM 647 CA GLU A 40 11.031 10.569 -2.729 1.00 0.00 C ATOM 648 C GLU A 40 10.183 10.835 -1.484 1.00 0.00 C ATOM 649 O GLU A 40 9.069 10.329 -1.367 1.00 0.00 O ATOM 650 CB GLU A 40 10.961 11.747 -3.703 1.00 0.00 C ATOM 651 CG GLU A 40 11.401 13.046 -3.024 1.00 0.00 C ATOM 652 CD GLU A 40 11.835 14.086 -4.059 1.00 0.00 C ATOM 653 OE1 GLU A 40 12.533 13.680 -5.013 1.00 0.00 O ATOM 654 OE2 GLU A 40 11.457 15.263 -3.873 1.00 0.00 O ATOM 0 H GLU A 40 10.350 9.434 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 40 12.070 10.458 -2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.598 11.549 -4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.943 11.855 -4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.581 13.443 -2.426 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.225 12.842 -2.340 1.00 0.00 H new ATOM 661 N THR A 41 10.745 11.631 -0.584 1.00 0.00 N ATOM 662 CA THR A 41 10.054 11.971 0.648 1.00 0.00 C ATOM 663 C THR A 41 8.559 12.162 0.387 1.00 0.00 C ATOM 664 O THR A 41 7.729 11.806 1.222 1.00 0.00 O ATOM 665 CB THR A 41 10.730 13.208 1.242 1.00 0.00 C ATOM 666 OG1 THR A 41 11.677 12.677 2.166 1.00 0.00 O ATOM 667 CG2 THR A 41 9.781 14.032 2.115 1.00 0.00 C ATOM 0 H THR A 41 11.670 12.049 -0.684 1.00 0.00 H new ATOM 0 HA THR A 41 10.123 11.163 1.376 1.00 0.00 H new ATOM 0 HB THR A 41 11.116 13.832 0.436 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.162 13.412 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.311 14.898 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.935 14.368 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.421 13.418 2.940 1.00 0.00 H new ATOM 675 N ASN A 42 8.261 12.723 -0.776 1.00 0.00 N ATOM 676 CA ASN A 42 6.880 12.966 -1.158 1.00 0.00 C ATOM 677 C ASN A 42 6.566 12.189 -2.438 1.00 0.00 C ATOM 678 O ASN A 42 6.030 12.749 -3.393 1.00 0.00 O ATOM 679 CB ASN A 42 6.638 14.451 -1.434 1.00 0.00 C ATOM 680 CG ASN A 42 6.218 15.184 -0.159 1.00 0.00 C ATOM 681 OD1 ASN A 42 6.614 14.844 0.943 1.00 0.00 O ATOM 682 ND2 ASN A 42 5.396 16.208 -0.371 1.00 0.00 N ATOM 0 H ASN A 42 8.952 13.016 -1.466 1.00 0.00 H new ATOM 0 HA ASN A 42 6.241 12.644 -0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.545 14.903 -1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.864 14.562 -2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.059 16.762 0.416 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.103 16.439 -1.320 1.00 0.00 H new ATOM 689 N CYS A 43 6.913 10.910 -2.417 1.00 0.00 N ATOM 690 CA CYS A 43 6.674 10.051 -3.564 1.00 0.00 C ATOM 691 C CYS A 43 5.869 8.837 -3.095 1.00 0.00 C ATOM 692 O CYS A 43 4.927 8.416 -3.765 1.00 0.00 O ATOM 693 CB CYS A 43 7.981 9.641 -4.245 1.00 0.00 C ATOM 694 SG CYS A 43 7.836 9.290 -6.035 1.00 0.00 S ATOM 0 H CYS A 43 7.358 10.448 -1.624 1.00 0.00 H new ATOM 0 HA CYS A 43 6.104 10.595 -4.317 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.713 10.436 -4.103 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.372 8.754 -3.746 1.00 0.00 H new ATOM 699 N GLU A 44 6.270 8.308 -1.949 1.00 0.00 N ATOM 700 CA GLU A 44 5.598 7.151 -1.383 1.00 0.00 C ATOM 701 C GLU A 44 4.095 7.223 -1.656 1.00 0.00 C ATOM 702 O GLU A 44 3.453 6.201 -1.892 1.00 0.00 O ATOM 703 CB GLU A 44 5.878 7.033 0.117 1.00 0.00 C ATOM 704 CG GLU A 44 7.364 6.783 0.380 1.00 0.00 C ATOM 705 CD GLU A 44 7.578 6.144 1.754 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.848 5.173 2.048 1.00 0.00 O ATOM 707 OE2 GLU A 44 8.467 6.642 2.479 1.00 0.00 O ATOM 0 H GLU A 44 7.052 8.659 -1.397 1.00 0.00 H new ATOM 0 HA GLU A 44 5.992 6.256 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.565 7.947 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.289 6.218 0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.770 6.132 -0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.910 7.725 0.324 1.00 0.00 H new ATOM 714 N TRP A 45 3.577 8.442 -1.616 1.00 0.00 N ATOM 715 CA TRP A 45 2.161 8.662 -1.856 1.00 0.00 C ATOM 716 C TRP A 45 1.883 8.379 -3.334 1.00 0.00 C ATOM 717 O TRP A 45 1.065 7.522 -3.663 1.00 0.00 O ATOM 718 CB TRP A 45 1.743 10.070 -1.428 1.00 0.00 C ATOM 719 CG TRP A 45 1.649 10.257 0.088 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.499 10.908 0.893 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.606 9.759 0.952 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.083 10.866 2.208 1.00 0.00 N ATOM 723 CE2 TRP A 45 0.895 10.145 2.245 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.543 9.006 0.651 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.083 9.825 3.340 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.344 8.695 1.757 1.00 0.00 C ATOM 727 CH2 TRP A 45 -1.067 9.076 3.064 1.00 0.00 C ATOM 0 H TRP A 45 4.113 9.288 -1.421 1.00 0.00 H new ATOM 0 HA TRP A 45 1.558 7.984 -1.252 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.459 10.788 -1.829 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.775 10.302 -1.873 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.397 11.404 0.555 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.559 11.286 3.006 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.788 8.693 -0.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.331 10.139 4.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.240 8.118 1.581 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.736 8.795 3.864 1.00 0.00 H new ATOM 738 N SER A 46 2.580 9.117 -4.186 1.00 0.00 N ATOM 739 CA SER A 46 2.418 8.957 -5.621 1.00 0.00 C ATOM 740 C SER A 46 2.652 7.497 -6.014 1.00 0.00 C ATOM 741 O SER A 46 2.235 7.065 -7.088 1.00 0.00 O ATOM 742 CB SER A 46 3.374 9.873 -6.388 1.00 0.00 C ATOM 743 OG SER A 46 3.222 9.742 -7.799 1.00 0.00 O ATOM 0 H SER A 46 3.258 9.827 -3.910 1.00 0.00 H new ATOM 0 HA SER A 46 1.398 9.238 -5.884 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.194 10.908 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.402 9.638 -6.111 1.00 0.00 H new ATOM 0 HG SER A 46 3.848 10.344 -8.253 1.00 0.00 H new ATOM 749 N ALA A 47 3.317 6.777 -5.123 1.00 0.00 N ATOM 750 CA ALA A 47 3.611 5.374 -5.364 1.00 0.00 C ATOM 751 C ALA A 47 2.421 4.524 -4.913 1.00 0.00 C ATOM 752 O ALA A 47 2.278 3.377 -5.334 1.00 0.00 O ATOM 753 CB ALA A 47 4.906 4.993 -4.644 1.00 0.00 C ATOM 0 H ALA A 47 3.661 7.138 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 47 3.763 5.190 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.127 3.941 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.725 5.605 -5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.790 5.161 -3.573 1.00 0.00 H new ATOM 759 N PHE A 48 1.598 5.119 -4.062 1.00 0.00 N ATOM 760 CA PHE A 48 0.425 4.431 -3.550 1.00 0.00 C ATOM 761 C PHE A 48 -0.486 3.976 -4.692 1.00 0.00 C ATOM 762 O PHE A 48 -0.709 2.780 -4.873 1.00 0.00 O ATOM 763 CB PHE A 48 -0.334 5.431 -2.675 1.00 0.00 C ATOM 764 CG PHE A 48 -1.486 4.813 -1.880 1.00 0.00 C ATOM 765 CD1 PHE A 48 -1.223 4.033 -0.797 1.00 0.00 C ATOM 766 CD2 PHE A 48 -2.772 5.043 -2.256 1.00 0.00 C ATOM 767 CE1 PHE A 48 -2.292 3.460 -0.060 1.00 0.00 C ATOM 768 CE2 PHE A 48 -3.841 4.470 -1.519 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.579 3.690 -0.436 1.00 0.00 C ATOM 0 H PHE A 48 1.720 6.070 -3.714 1.00 0.00 H new ATOM 0 HA PHE A 48 0.728 3.547 -2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.366 5.895 -1.980 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.728 6.226 -3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.201 3.850 -0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.980 5.662 -3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.084 2.841 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.862 4.653 -1.818 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.392 3.254 0.125 1.00 0.00 H new ATOM 779 N SER A 49 -0.987 4.953 -5.432 1.00 0.00 N ATOM 780 CA SER A 49 -1.869 4.668 -6.551 1.00 0.00 C ATOM 781 C SER A 49 -1.367 3.441 -7.313 1.00 0.00 C ATOM 782 O SER A 49 -2.152 2.568 -7.679 1.00 0.00 O ATOM 783 CB SER A 49 -1.973 5.871 -7.490 1.00 0.00 C ATOM 784 OG SER A 49 -0.700 6.270 -7.990 1.00 0.00 O ATOM 0 H SER A 49 -0.799 5.944 -5.279 1.00 0.00 H new ATOM 0 HA SER A 49 -2.865 4.461 -6.158 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.629 5.624 -8.325 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.432 6.706 -6.960 1.00 0.00 H new ATOM 0 HG SER A 49 -0.809 7.040 -8.587 1.00 0.00 H new ATOM 790 N CYS A 50 -0.060 3.413 -7.531 1.00 0.00 N ATOM 791 CA CYS A 50 0.557 2.307 -8.243 1.00 0.00 C ATOM 792 C CYS A 50 -0.044 1.002 -7.717 1.00 0.00 C ATOM 793 O CYS A 50 -0.535 0.184 -8.493 1.00 0.00 O ATOM 794 CB CYS A 50 2.081 2.328 -8.110 1.00 0.00 C ATOM 795 SG CYS A 50 2.967 1.216 -9.262 1.00 0.00 S ATOM 0 H CYS A 50 0.589 4.139 -7.227 1.00 0.00 H new ATOM 0 HA CYS A 50 0.350 2.397 -9.309 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.432 3.348 -8.270 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.346 2.056 -7.088 1.00 0.00 H new ATOM 800 N PHE A 51 0.015 0.848 -6.403 1.00 0.00 N ATOM 801 CA PHE A 51 -0.518 -0.344 -5.764 1.00 0.00 C ATOM 802 C PHE A 51 -2.007 -0.511 -6.071 1.00 0.00 C ATOM 803 O PHE A 51 -2.512 -1.631 -6.122 1.00 0.00 O ATOM 804 CB PHE A 51 -0.337 -0.162 -4.256 1.00 0.00 C ATOM 805 CG PHE A 51 1.122 -0.190 -3.796 1.00 0.00 C ATOM 806 CD1 PHE A 51 1.709 -1.372 -3.467 1.00 0.00 C ATOM 807 CD2 PHE A 51 1.833 0.967 -3.717 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.063 -1.398 -3.041 1.00 0.00 C ATOM 809 CE2 PHE A 51 3.187 0.941 -3.290 1.00 0.00 C ATOM 810 CZ PHE A 51 3.773 -0.241 -2.961 1.00 0.00 C ATOM 0 H PHE A 51 0.424 1.529 -5.763 1.00 0.00 H new ATOM 0 HA PHE A 51 0.003 -1.228 -6.132 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.783 0.787 -3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.886 -0.948 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.145 -2.291 -3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.368 1.906 -3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.529 -2.337 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.751 1.860 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.803 -0.261 -2.636 1.00 0.00 H new ATOM 820 N GLN A 52 -2.669 0.620 -6.266 1.00 0.00 N ATOM 821 CA GLN A 52 -4.091 0.613 -6.566 1.00 0.00 C ATOM 822 C GLN A 52 -4.338 0.009 -7.950 1.00 0.00 C ATOM 823 O GLN A 52 -5.410 -0.535 -8.211 1.00 0.00 O ATOM 824 CB GLN A 52 -4.679 2.022 -6.470 1.00 0.00 C ATOM 825 CG GLN A 52 -4.339 2.667 -5.125 1.00 0.00 C ATOM 826 CD GLN A 52 -5.202 2.084 -4.004 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.332 1.670 -4.206 1.00 0.00 O ATOM 828 NE2 GLN A 52 -4.608 2.074 -2.814 1.00 0.00 N ATOM 0 H GLN A 52 -2.247 1.548 -6.222 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.596 -0.007 -5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.291 2.638 -7.281 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.761 1.978 -6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.285 2.508 -4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.493 3.744 -5.185 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.660 2.436 -2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.101 1.704 -2.001 1.00 0.00 H new ATOM 837 N LYS A 53 -3.329 0.124 -8.800 1.00 0.00 N ATOM 838 CA LYS A 53 -3.423 -0.404 -10.150 1.00 0.00 C ATOM 839 C LYS A 53 -2.905 -1.843 -10.168 1.00 0.00 C ATOM 840 O LYS A 53 -3.432 -2.688 -10.890 1.00 0.00 O ATOM 841 CB LYS A 53 -2.708 0.520 -11.138 1.00 0.00 C ATOM 842 CG LYS A 53 -2.920 1.989 -10.767 1.00 0.00 C ATOM 843 CD LYS A 53 -4.339 2.444 -11.116 1.00 0.00 C ATOM 844 CE LYS A 53 -4.733 3.680 -10.306 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.737 4.482 -11.040 1.00 0.00 N ATOM 0 H LYS A 53 -2.441 0.576 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.463 -0.436 -10.475 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.642 0.294 -11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.081 0.338 -12.146 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.742 2.128 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.195 2.609 -11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.401 2.668 -12.181 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.043 1.636 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.137 3.376 -9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.850 4.287 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.994 5.317 -10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.339 4.788 -11.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.585 3.905 -11.210 1.00 0.00 H new ATOM 859 N ALA A 54 -1.877 -2.078 -9.365 1.00 0.00 N ATOM 860 CA ALA A 54 -1.281 -3.400 -9.279 1.00 0.00 C ATOM 861 C ALA A 54 -2.388 -4.456 -9.304 1.00 0.00 C ATOM 862 O ALA A 54 -2.328 -5.405 -10.084 1.00 0.00 O ATOM 863 CB ALA A 54 -0.417 -3.490 -8.020 1.00 0.00 C ATOM 0 H ALA A 54 -1.442 -1.375 -8.768 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.630 -3.584 -10.134 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.030 -4.482 -7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.372 -2.739 -8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.036 -3.313 -7.140 1.00 0.00 H new ATOM 869 N GLN A 55 -3.372 -4.256 -8.440 1.00 0.00 N ATOM 870 CA GLN A 55 -4.491 -5.179 -8.352 1.00 0.00 C ATOM 871 C GLN A 55 -4.012 -6.549 -7.868 1.00 0.00 C ATOM 872 O GLN A 55 -3.477 -7.335 -8.648 1.00 0.00 O ATOM 873 CB GLN A 55 -5.213 -5.295 -9.697 1.00 0.00 C ATOM 874 CG GLN A 55 -6.428 -6.218 -9.589 1.00 0.00 C ATOM 875 CD GLN A 55 -7.005 -6.528 -10.971 1.00 0.00 C ATOM 876 OE1 GLN A 55 -7.949 -5.907 -11.432 1.00 0.00 O ATOM 877 NE2 GLN A 55 -6.388 -7.521 -11.605 1.00 0.00 N ATOM 0 H GLN A 55 -3.418 -3.468 -7.794 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.204 -4.787 -7.626 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.531 -4.307 -10.030 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.526 -5.679 -10.451 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.141 -7.146 -9.094 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.192 -5.749 -8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.604 -7.999 -11.162 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.699 -7.804 -12.534 1.00 0.00 H new ATOM 886 N LEU A 56 -4.222 -6.793 -6.583 1.00 0.00 N ATOM 887 CA LEU A 56 -3.818 -8.054 -5.985 1.00 0.00 C ATOM 888 C LEU A 56 -4.850 -9.130 -6.329 1.00 0.00 C ATOM 889 O LEU A 56 -6.049 -8.926 -6.146 1.00 0.00 O ATOM 890 CB LEU A 56 -3.584 -7.885 -4.482 1.00 0.00 C ATOM 891 CG LEU A 56 -3.032 -9.108 -3.747 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.153 -10.090 -3.399 1.00 0.00 C ATOM 893 CD2 LEU A 56 -1.916 -9.774 -4.553 1.00 0.00 C ATOM 0 H LEU A 56 -4.667 -6.139 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.864 -8.382 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.894 -7.054 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.528 -7.602 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.594 -8.773 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.734 -10.950 -2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.883 -9.596 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.642 -10.424 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.541 -10.640 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.306 -10.094 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.104 -9.063 -4.707 1.00 0.00 H new ATOM 905 N LYS A 57 -4.346 -10.252 -6.821 1.00 0.00 N ATOM 906 CA LYS A 57 -5.210 -11.361 -7.192 1.00 0.00 C ATOM 907 C LYS A 57 -4.711 -12.639 -6.516 1.00 0.00 C ATOM 908 O LYS A 57 -3.505 -12.859 -6.409 1.00 0.00 O ATOM 909 CB LYS A 57 -5.314 -11.472 -8.715 1.00 0.00 C ATOM 910 CG LYS A 57 -6.720 -11.902 -9.138 1.00 0.00 C ATOM 911 CD LYS A 57 -7.600 -10.685 -9.433 1.00 0.00 C ATOM 912 CE LYS A 57 -9.025 -11.113 -9.789 1.00 0.00 C ATOM 913 NZ LYS A 57 -9.587 -10.227 -10.833 1.00 0.00 N ATOM 0 H LYS A 57 -3.351 -10.418 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.226 -11.188 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.071 -10.512 -9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.583 -12.193 -9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.660 -12.535 -10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.174 -12.501 -8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.620 -10.027 -8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.172 -10.113 -10.256 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.024 -12.145 -10.141 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.654 -11.081 -8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.555 -10.532 -11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.606 -9.248 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.996 -10.279 -11.687 1.00 0.00 H new ATOM 927 N SER A 58 -5.663 -13.448 -6.076 1.00 0.00 N ATOM 928 CA SER A 58 -5.336 -14.699 -5.412 1.00 0.00 C ATOM 929 C SER A 58 -5.253 -15.830 -6.439 1.00 0.00 C ATOM 930 O SER A 58 -5.863 -15.752 -7.505 1.00 0.00 O ATOM 931 CB SER A 58 -6.366 -15.036 -4.333 1.00 0.00 C ATOM 932 OG SER A 58 -7.642 -14.469 -4.617 1.00 0.00 O ATOM 0 H SER A 58 -6.662 -13.262 -6.166 1.00 0.00 H new ATOM 0 HA SER A 58 -4.367 -14.585 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.461 -16.119 -4.248 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.013 -14.670 -3.369 1.00 0.00 H new ATOM 0 HG SER A 58 -8.171 -14.425 -3.793 1.00 0.00 H new ATOM 938 N ALA A 59 -4.495 -16.856 -6.083 1.00 0.00 N ATOM 939 CA ALA A 59 -4.325 -18.002 -6.960 1.00 0.00 C ATOM 940 C ALA A 59 -5.693 -18.446 -7.482 1.00 0.00 C ATOM 941 O ALA A 59 -5.795 -18.987 -8.582 1.00 0.00 O ATOM 942 CB ALA A 59 -3.598 -19.118 -6.207 1.00 0.00 C ATOM 0 H ALA A 59 -3.991 -16.918 -5.198 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.713 -17.738 -7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.471 -19.978 -6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.620 -18.761 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.184 -19.411 -5.336 1.00 0.00 H new ATOM 948 N ASN A 60 -6.709 -18.200 -6.669 1.00 0.00 N ATOM 949 CA ASN A 60 -8.067 -18.568 -7.035 1.00 0.00 C ATOM 950 C ASN A 60 -8.263 -20.068 -6.807 1.00 0.00 C ATOM 951 O ASN A 60 -8.522 -20.814 -7.750 1.00 0.00 O ATOM 952 CB ASN A 60 -8.337 -18.275 -8.513 1.00 0.00 C ATOM 953 CG ASN A 60 -7.736 -16.930 -8.924 1.00 0.00 C ATOM 954 OD1 ASN A 60 -8.143 -15.873 -8.470 1.00 0.00 O ATOM 955 ND2 ASN A 60 -6.746 -17.027 -9.807 1.00 0.00 N ATOM 0 H ASN A 60 -6.620 -17.750 -5.758 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.752 -17.985 -6.420 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.914 -19.069 -9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.412 -18.268 -8.696 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.279 -16.185 -10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.454 -17.943 -10.147 1.00 0.00 H new ATOM 962 N THR A 61 -8.134 -20.464 -5.549 1.00 0.00 N ATOM 963 CA THR A 61 -8.294 -21.861 -5.185 1.00 0.00 C ATOM 964 C THR A 61 -9.440 -22.024 -4.184 1.00 0.00 C ATOM 965 O THR A 61 -9.832 -23.143 -3.859 1.00 0.00 O ATOM 966 CB THR A 61 -6.951 -22.370 -4.658 1.00 0.00 C ATOM 967 OG1 THR A 61 -6.914 -21.919 -3.307 1.00 0.00 O ATOM 968 CG2 THR A 61 -5.761 -21.670 -5.317 1.00 0.00 C ATOM 0 H THR A 61 -7.921 -19.842 -4.770 1.00 0.00 H new ATOM 0 HA THR A 61 -8.570 -22.465 -6.049 1.00 0.00 H new ATOM 0 HB THR A 61 -6.879 -23.445 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.067 -20.951 -3.281 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.832 -22.068 -4.908 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.787 -21.843 -6.393 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.814 -20.599 -5.121 1.00 0.00 H new ATOM 976 N GLY A 62 -9.945 -20.889 -3.722 1.00 0.00 N ATOM 977 CA GLY A 62 -11.038 -20.891 -2.765 1.00 0.00 C ATOM 978 C GLY A 62 -10.510 -20.964 -1.331 1.00 0.00 C ATOM 979 O GLY A 62 -9.302 -21.039 -1.113 1.00 0.00 O ATOM 0 H GLY A 62 -9.617 -19.962 -3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.638 -19.989 -2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.694 -21.740 -2.959 1.00 0.00 H new ATOM 983 N ASN A 63 -11.442 -20.939 -0.389 1.00 0.00 N ATOM 984 CA ASN A 63 -11.086 -21.002 1.018 1.00 0.00 C ATOM 985 C ASN A 63 -10.690 -19.605 1.502 1.00 0.00 C ATOM 986 O ASN A 63 -11.417 -18.982 2.274 1.00 0.00 O ATOM 987 CB ASN A 63 -9.896 -21.936 1.244 1.00 0.00 C ATOM 988 CG ASN A 63 -10.102 -22.795 2.493 1.00 0.00 C ATOM 989 OD1 ASN A 63 -11.211 -23.144 2.862 1.00 0.00 O ATOM 990 ND2 ASN A 63 -8.974 -23.114 3.122 1.00 0.00 N ATOM 0 H ASN A 63 -12.443 -20.876 -0.573 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.949 -21.378 1.568 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.764 -22.579 0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.983 -21.349 1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.005 -23.684 3.967 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.078 -22.789 2.759 1.00 0.00 H new ATOM 997 N ASN A 64 -9.537 -19.154 1.028 1.00 0.00 N ATOM 998 CA ASN A 64 -9.036 -17.843 1.402 1.00 0.00 C ATOM 999 C ASN A 64 -9.284 -16.860 0.256 1.00 0.00 C ATOM 1000 O ASN A 64 -9.433 -15.661 0.484 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.530 -17.886 1.671 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.100 -19.269 2.162 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -6.961 -20.212 1.399 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -6.896 -19.338 3.474 1.00 0.00 N ATOM 0 H ASN A 64 -8.936 -19.674 0.388 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.556 -17.529 2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.987 -17.635 0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.268 -17.134 2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.605 -20.218 3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.030 -18.511 4.055 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.322 -17.406 -0.951 1.00 0.00 N ATOM 1012 CA GLU A 65 -9.549 -16.592 -2.133 1.00 0.00 C ATOM 1013 C GLU A 65 -10.553 -15.479 -1.825 1.00 0.00 C ATOM 1014 O GLU A 65 -10.472 -14.390 -2.392 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.025 -17.451 -3.306 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.407 -16.579 -4.504 1.00 0.00 C ATOM 1017 CD GLU A 65 -11.890 -16.203 -4.458 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -12.708 -17.077 -4.818 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -12.172 -15.051 -4.063 1.00 0.00 O ATOM 0 H GLU A 65 -9.199 -18.402 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.604 -16.132 -2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.238 -18.147 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.883 -18.049 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.799 -15.674 -4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.192 -17.112 -5.430 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.477 -15.790 -0.928 1.00 0.00 N ATOM 1027 CA ARG A 66 -12.496 -14.830 -0.539 1.00 0.00 C ATOM 1028 C ARG A 66 -11.922 -13.824 0.460 1.00 0.00 C ATOM 1029 O ARG A 66 -12.047 -12.615 0.270 1.00 0.00 O ATOM 1030 CB ARG A 66 -13.702 -15.531 0.089 1.00 0.00 C ATOM 1031 CG ARG A 66 -14.816 -14.530 0.404 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.559 -14.119 -0.868 1.00 0.00 C ATOM 1033 NE ARG A 66 -16.532 -15.168 -1.247 1.00 0.00 N ATOM 1034 CZ ARG A 66 -16.261 -16.173 -2.091 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -15.047 -16.271 -2.649 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -17.205 -17.080 -2.378 1.00 0.00 N ATOM 0 H ARG A 66 -11.541 -16.694 -0.459 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.822 -14.309 -1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.077 -16.296 -0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.396 -16.040 1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.517 -14.972 1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.392 -13.647 0.883 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.076 -13.173 -0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.848 -13.960 -1.679 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.467 -15.123 -0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.328 -15.580 -2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.841 -17.036 -3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.130 -17.005 -1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.999 -17.845 -3.020 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.307 -14.360 1.504 1.00 0.00 N ATOM 1051 CA ILE A 67 -10.714 -13.524 2.534 1.00 0.00 C ATOM 1052 C ILE A 67 -9.661 -12.611 1.900 1.00 0.00 C ATOM 1053 O ILE A 67 -9.324 -11.567 2.456 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.173 -14.384 3.677 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -10.163 -13.604 4.993 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -8.793 -14.948 3.334 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -8.852 -12.832 5.163 1.00 0.00 C ATOM 0 H ILE A 67 -11.207 -15.363 1.659 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.469 -12.878 2.982 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.843 -15.233 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.003 -12.910 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.295 -14.291 5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.432 -15.556 4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.864 -15.564 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.098 -14.127 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.871 -12.286 6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.016 -13.531 5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.735 -12.128 4.339 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.171 -13.039 0.746 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.164 -12.273 0.031 1.00 0.00 C ATOM 1071 C ILE A 68 -8.847 -11.160 -0.766 1.00 0.00 C ATOM 1072 O ILE A 68 -8.264 -10.099 -0.981 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.295 -13.198 -0.824 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.091 -13.708 -0.030 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -6.875 -12.509 -2.124 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.373 -15.087 0.570 1.00 0.00 C ATOM 0 H ILE A 68 -9.452 -13.906 0.288 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.482 -11.791 0.732 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.891 -14.068 -1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.218 -13.762 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.851 -13.003 0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.258 -13.188 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.763 -12.237 -2.695 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.304 -11.610 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.501 -15.426 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.231 -15.024 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.588 -15.795 -0.230 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.072 -11.441 -1.184 1.00 0.00 N ATOM 1089 CA ASN A 69 -10.840 -10.476 -1.953 1.00 0.00 C ATOM 1090 C ASN A 69 -11.305 -9.348 -1.029 1.00 0.00 C ATOM 1091 O ASN A 69 -11.904 -8.376 -1.485 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.082 -11.125 -2.567 1.00 0.00 C ATOM 1093 CG ASN A 69 -12.449 -10.459 -3.895 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -13.376 -9.672 -3.988 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -11.672 -10.817 -4.913 1.00 0.00 N ATOM 0 H ASN A 69 -10.552 -12.323 -1.005 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.201 -10.094 -2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -11.900 -12.188 -2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.919 -11.046 -1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.836 -10.427 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.912 -11.482 -4.766 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.010 -9.516 0.252 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.390 -8.524 1.243 1.00 0.00 C ATOM 1104 C VAL A 70 -10.374 -7.380 1.228 1.00 0.00 C ATOM 1105 O VAL A 70 -10.725 -6.230 1.490 1.00 0.00 O ATOM 1106 CB VAL A 70 -11.529 -9.183 2.616 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -12.232 -10.537 2.506 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.165 -9.326 3.296 1.00 0.00 C ATOM 0 H VAL A 70 -10.512 -10.324 0.626 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.364 -8.097 1.003 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.147 -8.535 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.318 -10.984 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.227 -10.397 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.653 -11.196 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.292 -9.797 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.513 -9.942 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.718 -8.340 3.425 1.00 0.00 H new ATOM 1118 N SER A 71 -9.135 -7.735 0.920 1.00 0.00 N ATOM 1119 CA SER A 71 -8.066 -6.752 0.868 1.00 0.00 C ATOM 1120 C SER A 71 -8.163 -5.941 -0.425 1.00 0.00 C ATOM 1121 O SER A 71 -7.492 -4.921 -0.574 1.00 0.00 O ATOM 1122 CB SER A 71 -6.696 -7.424 0.972 1.00 0.00 C ATOM 1123 OG SER A 71 -6.483 -8.368 -0.074 1.00 0.00 O ATOM 0 H SER A 71 -8.848 -8.690 0.704 1.00 0.00 H new ATOM 0 HA SER A 71 -8.177 -6.080 1.719 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.916 -6.664 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.611 -7.926 1.936 1.00 0.00 H new ATOM 0 HG SER A 71 -7.139 -9.092 0.000 1.00 0.00 H new ATOM 1129 N ILE A 72 -9.004 -6.424 -1.328 1.00 0.00 N ATOM 1130 CA ILE A 72 -9.198 -5.757 -2.604 1.00 0.00 C ATOM 1131 C ILE A 72 -9.907 -4.421 -2.373 1.00 0.00 C ATOM 1132 O ILE A 72 -9.401 -3.370 -2.764 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.926 -6.678 -3.585 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -9.293 -8.071 -3.602 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.980 -6.056 -4.982 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -7.925 -8.044 -4.286 1.00 0.00 C ATOM 0 H ILE A 72 -9.559 -7.270 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.237 -5.533 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.955 -6.796 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.186 -8.438 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.950 -8.767 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.502 -6.730 -5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.510 -5.105 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.966 -5.889 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.497 -9.047 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.039 -7.700 -5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.262 -7.366 -3.748 1.00 0.00 H new ATOM 1148 N LYS A 73 -11.067 -4.505 -1.738 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.851 -3.315 -1.451 1.00 0.00 C ATOM 1150 C LYS A 73 -10.934 -2.232 -0.879 1.00 0.00 C ATOM 1151 O LYS A 73 -10.926 -1.101 -1.363 1.00 0.00 O ATOM 1152 CB LYS A 73 -13.035 -3.660 -0.545 1.00 0.00 C ATOM 1153 CG LYS A 73 -14.187 -4.260 -1.354 1.00 0.00 C ATOM 1154 CD LYS A 73 -15.250 -3.204 -1.661 1.00 0.00 C ATOM 1155 CE LYS A 73 -16.584 -3.561 -1.004 1.00 0.00 C ATOM 1156 NZ LYS A 73 -16.847 -2.673 0.151 1.00 0.00 N ATOM 0 H LYS A 73 -11.483 -5.378 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.286 -2.914 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.717 -4.367 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.377 -2.763 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.804 -4.677 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.637 -5.083 -0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.914 -2.230 -1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.383 -3.120 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.390 -3.470 -1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.568 -4.600 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.757 -2.929 0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.086 -2.780 0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.883 -1.685 -0.172 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.184 -2.616 0.143 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.265 -1.691 0.786 1.00 0.00 C ATOM 1172 C LYS A 74 -8.127 -1.356 -0.179 1.00 0.00 C ATOM 1173 O LYS A 74 -7.876 -0.187 -0.467 1.00 0.00 O ATOM 1174 CB LYS A 74 -8.790 -2.254 2.127 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.620 -1.692 3.283 1.00 0.00 C ATOM 1176 CD LYS A 74 -8.821 -0.660 4.081 1.00 0.00 C ATOM 1177 CE LYS A 74 -9.687 -0.015 5.165 1.00 0.00 C ATOM 1178 NZ LYS A 74 -9.821 1.439 4.924 1.00 0.00 N ATOM 0 H LYS A 74 -10.193 -3.555 0.542 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.769 -0.754 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.865 -3.341 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.739 -2.008 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.528 -1.232 2.893 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.931 -2.504 3.940 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.956 -1.140 4.539 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.440 0.109 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.673 -0.480 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.242 -0.188 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.217 1.896 5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.886 1.844 4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.454 1.600 4.115 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.467 -2.403 -0.652 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.361 -2.235 -1.579 1.00 0.00 C ATOM 1194 C LEU A 75 -6.736 -1.187 -2.629 1.00 0.00 C ATOM 1195 O LEU A 75 -5.865 -0.517 -3.180 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.951 -3.583 -2.175 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.930 -3.531 -3.313 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.569 -4.057 -2.853 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.445 -4.275 -4.546 1.00 0.00 C ATOM 0 H LEU A 75 -7.677 -3.371 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.480 -1.863 -1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.543 -4.202 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.847 -4.084 -2.540 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.792 -2.489 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.862 -4.009 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.203 -3.447 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.671 -5.091 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.700 -4.223 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.630 -5.318 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.372 -3.815 -4.888 1.00 0.00 H new ATOM 1211 N LYS A 76 -8.034 -1.079 -2.873 1.00 0.00 N ATOM 1212 CA LYS A 76 -8.535 -0.124 -3.847 1.00 0.00 C ATOM 1213 C LYS A 76 -8.824 1.206 -3.149 1.00 0.00 C ATOM 1214 O LYS A 76 -9.833 1.852 -3.429 1.00 0.00 O ATOM 1215 CB LYS A 76 -9.739 -0.702 -4.594 1.00 0.00 C ATOM 1216 CG LYS A 76 -9.305 -1.797 -5.570 1.00 0.00 C ATOM 1217 CD LYS A 76 -10.337 -1.977 -6.685 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.970 -1.139 -7.912 1.00 0.00 C ATOM 1219 NZ LYS A 76 -10.904 -0.001 -8.060 1.00 0.00 N ATOM 0 H LYS A 76 -8.754 -1.637 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.781 0.073 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.454 -1.110 -3.879 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.250 0.093 -5.137 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.338 -1.541 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.176 -2.737 -5.034 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.397 -3.029 -6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.323 -1.686 -6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.949 -0.769 -7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.000 -1.761 -8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.641 0.557 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.873 -0.360 -8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.855 0.601 -7.213 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.921 1.576 -2.253 1.00 0.00 N ATOM 1234 CA ARG A 77 -8.067 2.818 -1.512 1.00 0.00 C ATOM 1235 C ARG A 77 -7.652 4.006 -2.382 1.00 0.00 C ATOM 1236 O ARG A 77 -7.026 3.828 -3.425 1.00 0.00 O ATOM 1237 CB ARG A 77 -7.216 2.804 -0.241 1.00 0.00 C ATOM 1238 CG ARG A 77 -8.024 3.287 0.965 1.00 0.00 C ATOM 1239 CD ARG A 77 -8.871 2.154 1.547 1.00 0.00 C ATOM 1240 NE ARG A 77 -10.140 2.033 0.795 1.00 0.00 N ATOM 1241 CZ ARG A 77 -11.122 2.943 0.826 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -10.988 4.048 1.573 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -12.239 2.750 0.111 1.00 0.00 N ATOM 0 H ARG A 77 -7.086 1.038 -2.023 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.116 2.916 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.848 1.795 -0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.342 3.442 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.349 3.671 1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.670 4.113 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.319 1.215 1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.079 2.348 2.599 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.275 1.204 0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.138 4.196 2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.736 4.741 1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.342 1.909 -0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.986 3.444 0.135 1.00 0.00 H new ATOM 1257 N LYS A 78 -8.019 5.193 -1.920 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.693 6.410 -2.643 1.00 0.00 C ATOM 1259 C LYS A 78 -6.634 7.193 -1.864 1.00 0.00 C ATOM 1260 O LYS A 78 -6.628 7.180 -0.634 1.00 0.00 O ATOM 1261 CB LYS A 78 -8.961 7.215 -2.936 1.00 0.00 C ATOM 1262 CG LYS A 78 -9.108 7.481 -4.435 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.486 8.940 -4.699 1.00 0.00 C ATOM 1264 CE LYS A 78 -9.756 9.176 -6.186 1.00 0.00 C ATOM 1265 NZ LYS A 78 -10.061 10.602 -6.438 1.00 0.00 N ATOM 0 H LYS A 78 -8.539 5.337 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.262 6.171 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.833 6.672 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.928 8.162 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.173 7.246 -4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.871 6.823 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.371 9.201 -4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.681 9.594 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.887 8.875 -6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.591 8.556 -6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.242 10.744 -7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.903 10.878 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.253 11.187 -6.145 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.742 7.873 -2.631 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.681 8.660 -2.026 1.00 0.00 C ATOM 1281 C PRO A 79 -5.229 9.965 -1.446 1.00 0.00 C ATOM 1282 O PRO A 79 -6.405 10.281 -1.620 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.671 8.883 -3.141 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.417 8.616 -4.438 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.719 7.912 -4.091 1.00 0.00 C ATOM 0 HA PRO A 79 -4.215 8.156 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.281 9.901 -3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.818 8.212 -3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.616 9.550 -4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.815 7.998 -5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.579 8.453 -4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.751 6.908 -4.514 1.00 0.00 H new ATOM 1293 N PRO A 80 -4.327 10.708 -0.749 1.00 0.00 N ATOM 1294 CA PRO A 80 -4.708 11.972 -0.142 1.00 0.00 C ATOM 1295 C PRO A 80 -4.846 13.069 -1.200 1.00 0.00 C ATOM 1296 O PRO A 80 -5.936 13.301 -1.720 1.00 0.00 O ATOM 1297 CB PRO A 80 -3.618 12.263 0.877 1.00 0.00 C ATOM 1298 CG PRO A 80 -2.434 11.397 0.480 1.00 0.00 C ATOM 1299 CD PRO A 80 -2.926 10.365 -0.522 1.00 0.00 C ATOM 0 HA PRO A 80 -5.685 11.930 0.340 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.349 13.319 0.870 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.954 12.026 1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.644 12.008 0.042 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.009 10.906 1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.353 10.407 -1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.824 9.353 -0.130 1.00 0.00 H new ATOM 1307 N SER A 81 -3.725 13.714 -1.487 1.00 0.00 N ATOM 1308 CA SER A 81 -3.707 14.781 -2.474 1.00 0.00 C ATOM 1309 C SER A 81 -2.766 14.415 -3.623 1.00 0.00 C ATOM 1310 O SER A 81 -3.188 14.343 -4.776 1.00 0.00 O ATOM 1311 CB SER A 81 -3.283 16.108 -1.842 1.00 0.00 C ATOM 1312 OG SER A 81 -4.048 17.204 -2.337 1.00 0.00 O ATOM 0 H SER A 81 -2.823 13.519 -1.054 1.00 0.00 H new ATOM 0 HA SER A 81 -4.717 14.902 -2.865 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.396 16.047 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.226 16.284 -2.043 1.00 0.00 H new ATOM 0 HG SER A 81 -3.748 18.032 -1.908 1.00 0.00 H new ATOM 1318 N THR A 82 -1.509 14.193 -3.268 1.00 0.00 N ATOM 1319 CA THR A 82 -0.504 13.837 -4.256 1.00 0.00 C ATOM 1320 C THR A 82 -0.802 12.457 -4.845 1.00 0.00 C ATOM 1321 O THR A 82 -0.076 11.498 -4.587 1.00 0.00 O ATOM 1322 CB THR A 82 0.869 13.929 -3.588 1.00 0.00 C ATOM 1323 OG1 THR A 82 1.757 13.344 -4.537 1.00 0.00 O ATOM 1324 CG2 THR A 82 0.985 13.023 -2.361 1.00 0.00 C ATOM 0 H THR A 82 -1.163 14.253 -2.310 1.00 0.00 H new ATOM 0 HA THR A 82 -0.517 14.526 -5.100 1.00 0.00 H new ATOM 0 HB THR A 82 1.062 14.961 -3.296 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.545 12.393 -4.640 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.979 13.126 -1.925 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.234 13.310 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.825 11.986 -2.658 1.00 0.00 H new ATOM 1332 N ASN A 83 -1.871 12.399 -5.625 1.00 0.00 N ATOM 1333 CA ASN A 83 -2.274 11.153 -6.253 1.00 0.00 C ATOM 1334 C ASN A 83 -1.319 10.835 -7.405 1.00 0.00 C ATOM 1335 O ASN A 83 -0.773 9.735 -7.479 1.00 0.00 O ATOM 1336 CB ASN A 83 -3.688 11.256 -6.827 1.00 0.00 C ATOM 1337 CG ASN A 83 -3.861 12.546 -7.631 1.00 0.00 C ATOM 1338 OD1 ASN A 83 -3.475 12.645 -8.785 1.00 0.00 O ATOM 1339 ND2 ASN A 83 -4.460 13.526 -6.960 1.00 0.00 N ATOM 0 H ASN A 83 -2.471 13.196 -5.837 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.249 10.371 -5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.889 10.396 -7.466 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.416 11.228 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.621 14.427 -7.409 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.758 13.376 -5.996 1.00 0.00 H new ATOM 1346 N ALA A 84 -1.146 11.818 -8.277 1.00 0.00 N ATOM 1347 CA ALA A 84 -0.266 11.657 -9.422 1.00 0.00 C ATOM 1348 C ALA A 84 -0.642 10.378 -10.172 1.00 0.00 C ATOM 1349 O ALA A 84 -1.641 9.737 -9.852 1.00 0.00 O ATOM 1350 CB ALA A 84 1.190 11.651 -8.951 1.00 0.00 C ATOM 0 H ALA A 84 -1.601 12.729 -8.213 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.380 12.491 -10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.850 11.530 -9.810 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.414 12.593 -8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.344 10.825 -8.256 1.00 0.00 H new ATOM 1356 N GLY A 85 0.180 10.045 -11.157 1.00 0.00 N ATOM 1357 CA GLY A 85 -0.054 8.854 -11.956 1.00 0.00 C ATOM 1358 C GLY A 85 -0.626 9.217 -13.327 1.00 0.00 C ATOM 1359 O GLY A 85 -1.746 8.829 -13.659 1.00 0.00 O ATOM 0 H GLY A 85 1.008 10.579 -11.420 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.880 8.307 -12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.744 8.191 -11.434 1.00 0.00 H new ATOM 1363 N ARG A 86 0.168 9.956 -14.088 1.00 0.00 N ATOM 1364 CA ARG A 86 -0.246 10.376 -15.416 1.00 0.00 C ATOM 1365 C ARG A 86 0.977 10.723 -16.268 1.00 0.00 C ATOM 1366 O ARG A 86 1.198 10.121 -17.317 1.00 0.00 O ATOM 1367 CB ARG A 86 -1.172 11.592 -15.346 1.00 0.00 C ATOM 1368 CG ARG A 86 -2.524 11.289 -15.995 1.00 0.00 C ATOM 1369 CD ARG A 86 -3.175 12.567 -16.528 1.00 0.00 C ATOM 1370 NE ARG A 86 -4.628 12.357 -16.711 1.00 0.00 N ATOM 1371 CZ ARG A 86 -5.177 11.823 -17.810 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -4.397 11.441 -18.831 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -6.506 11.670 -17.889 1.00 0.00 N ATOM 0 H ARG A 86 1.096 10.275 -13.810 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.788 9.547 -15.872 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.321 11.881 -14.306 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.705 12.439 -15.849 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.389 10.578 -16.810 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.183 10.817 -15.267 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.003 13.389 -15.834 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.718 12.849 -17.476 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.251 12.636 -15.953 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.385 11.557 -18.771 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.815 11.034 -19.668 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.100 11.960 -17.112 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.924 11.263 -18.726 1.00 0.00 H new ATOM 1387 N ARG A 87 1.738 11.694 -15.784 1.00 0.00 N ATOM 1388 CA ARG A 87 2.933 12.128 -16.488 1.00 0.00 C ATOM 1389 C ARG A 87 4.014 12.549 -15.491 1.00 0.00 C ATOM 1390 O ARG A 87 5.087 11.950 -15.444 1.00 0.00 O ATOM 1391 CB ARG A 87 2.626 13.301 -17.422 1.00 0.00 C ATOM 1392 CG ARG A 87 3.494 13.242 -18.680 1.00 0.00 C ATOM 1393 CD ARG A 87 2.635 13.048 -19.931 1.00 0.00 C ATOM 1394 NE ARG A 87 3.498 12.963 -21.130 1.00 0.00 N ATOM 1395 CZ ARG A 87 4.075 14.021 -21.716 1.00 0.00 C ATOM 1396 NH1 ARG A 87 3.886 15.250 -21.216 1.00 0.00 N ATOM 1397 NH2 ARG A 87 4.843 13.850 -22.801 1.00 0.00 N ATOM 0 H ARG A 87 1.551 12.192 -14.914 1.00 0.00 H new ATOM 0 HA ARG A 87 3.291 11.288 -17.083 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.573 13.282 -17.702 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.800 14.242 -16.900 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.072 14.162 -18.771 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.209 12.423 -18.595 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.040 12.140 -19.836 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.936 13.878 -20.034 1.00 0.00 H new ATOM 0 HE ARG A 87 3.664 12.042 -21.536 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.303 15.380 -20.389 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.325 16.055 -21.662 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.988 12.915 -23.181 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.282 14.655 -23.247 1.00 0.00 H new ATOM 1411 N GLN A 88 3.692 13.575 -14.717 1.00 0.00 N ATOM 1412 CA GLN A 88 4.623 14.083 -13.723 1.00 0.00 C ATOM 1413 C GLN A 88 3.989 15.237 -12.943 1.00 0.00 C ATOM 1414 O GLN A 88 3.160 15.972 -13.479 1.00 0.00 O ATOM 1415 CB GLN A 88 5.937 14.518 -14.373 1.00 0.00 C ATOM 1416 CG GLN A 88 7.136 13.891 -13.659 1.00 0.00 C ATOM 1417 CD GLN A 88 8.425 14.649 -13.983 1.00 0.00 C ATOM 1418 OE1 GLN A 88 8.519 15.856 -13.839 1.00 0.00 O ATOM 1419 NE2 GLN A 88 9.411 13.874 -14.428 1.00 0.00 N ATOM 0 H GLN A 88 2.800 14.068 -14.758 1.00 0.00 H new ATOM 0 HA GLN A 88 4.851 13.279 -13.024 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.941 14.226 -15.423 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.019 15.605 -14.344 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.967 13.898 -12.582 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.238 12.848 -13.959 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.266 12.869 -14.525 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.312 14.285 -14.672 1.00 0.00 H new ATOM 1428 N LYS A 89 4.403 15.360 -11.690 1.00 0.00 N ATOM 1429 CA LYS A 89 3.886 16.412 -10.832 1.00 0.00 C ATOM 1430 C LYS A 89 4.975 17.462 -10.606 1.00 0.00 C ATOM 1431 O LYS A 89 6.038 17.401 -11.222 1.00 0.00 O ATOM 1432 CB LYS A 89 3.325 15.820 -9.537 1.00 0.00 C ATOM 1433 CG LYS A 89 4.432 15.168 -8.708 1.00 0.00 C ATOM 1434 CD LYS A 89 3.966 13.833 -8.122 1.00 0.00 C ATOM 1435 CE LYS A 89 3.294 14.036 -6.763 1.00 0.00 C ATOM 1436 NZ LYS A 89 1.847 14.295 -6.933 1.00 0.00 N ATOM 0 H LYS A 89 5.090 14.749 -11.249 1.00 0.00 H new ATOM 0 HA LYS A 89 3.049 16.918 -11.313 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.843 16.604 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.559 15.081 -9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.312 15.008 -9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.730 15.838 -7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.268 13.354 -8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.818 13.162 -8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.441 13.152 -6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.760 14.872 -6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.659 15.310 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.552 14.003 -7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.312 13.754 -6.224 1.00 0.00 H new ATOM 1450 N HIS A 90 4.674 18.401 -9.721 1.00 0.00 N ATOM 1451 CA HIS A 90 5.614 19.463 -9.407 1.00 0.00 C ATOM 1452 C HIS A 90 5.851 19.508 -7.896 1.00 0.00 C ATOM 1453 O HIS A 90 5.349 18.660 -7.160 1.00 0.00 O ATOM 1454 CB HIS A 90 5.132 20.801 -9.971 1.00 0.00 C ATOM 1455 CG HIS A 90 6.239 21.674 -10.512 1.00 0.00 C ATOM 1456 ND1 HIS A 90 5.999 22.792 -11.292 1.00 0.00 N ATOM 1457 CD2 HIS A 90 7.594 21.582 -10.377 1.00 0.00 C ATOM 1458 CE1 HIS A 90 7.164 23.340 -11.607 1.00 0.00 C ATOM 1459 NE2 HIS A 90 8.151 22.589 -11.039 1.00 0.00 N ATOM 0 H HIS A 90 3.792 18.448 -9.211 1.00 0.00 H new ATOM 0 HA HIS A 90 6.572 19.258 -9.885 1.00 0.00 H new ATOM 0 HB2 HIS A 90 4.412 20.610 -10.767 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.604 21.345 -9.188 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.123 20.819 -9.825 1.00 0.00 H new ATOM 0 HE1 HIS A 90 7.307 24.226 -12.208 1.00 0.00 H new ATOM 0 HE2 HIS A 90 9.152 22.771 -11.111 1.00 0.00 H new ATOM 1467 N ARG A 91 6.617 20.505 -7.479 1.00 0.00 N ATOM 1468 CA ARG A 91 6.927 20.672 -6.069 1.00 0.00 C ATOM 1469 C ARG A 91 8.055 19.724 -5.658 1.00 0.00 C ATOM 1470 O ARG A 91 8.461 19.703 -4.497 1.00 0.00 O ATOM 1471 CB ARG A 91 5.698 20.398 -5.199 1.00 0.00 C ATOM 1472 CG ARG A 91 5.546 21.466 -4.114 1.00 0.00 C ATOM 1473 CD ARG A 91 6.413 21.138 -2.897 1.00 0.00 C ATOM 1474 NE ARG A 91 6.143 22.104 -1.808 1.00 0.00 N ATOM 1475 CZ ARG A 91 6.608 21.977 -0.558 1.00 0.00 C ATOM 1476 NH1 ARG A 91 7.369 20.923 -0.231 1.00 0.00 N ATOM 1477 NH2 ARG A 91 6.313 22.903 0.364 1.00 0.00 N ATOM 0 H ARG A 91 7.032 21.206 -8.093 1.00 0.00 H new ATOM 0 HA ARG A 91 7.242 21.705 -5.919 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.804 20.378 -5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.787 19.415 -4.737 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.829 22.439 -4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.501 21.537 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.205 20.124 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.467 21.172 -3.171 1.00 0.00 H new ATOM 0 HE ARG A 91 5.567 22.918 -2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.594 20.219 -0.934 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.723 20.825 0.720 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.734 23.705 0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.667 22.806 1.316 1.00 0.00 H new ATOM 1491 N LEU A 92 8.531 18.963 -6.633 1.00 0.00 N ATOM 1492 CA LEU A 92 9.605 18.016 -6.387 1.00 0.00 C ATOM 1493 C LEU A 92 9.872 17.213 -7.662 1.00 0.00 C ATOM 1494 O LEU A 92 9.234 17.441 -8.689 1.00 0.00 O ATOM 1495 CB LEU A 92 9.284 17.147 -5.169 1.00 0.00 C ATOM 1496 CG LEU A 92 7.831 16.688 -5.036 1.00 0.00 C ATOM 1497 CD1 LEU A 92 7.688 15.208 -5.399 1.00 0.00 C ATOM 1498 CD2 LEU A 92 7.286 16.990 -3.639 1.00 0.00 C ATOM 0 H LEU A 92 8.192 18.983 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 92 10.528 18.541 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.922 16.264 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.552 17.703 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 92 7.228 17.254 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.645 14.907 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.010 15.053 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.306 14.608 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.251 16.654 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.886 16.469 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.331 18.063 -3.455 1.00 0.00 H new ATOM 1510 N THR A 93 10.816 16.289 -7.554 1.00 0.00 N ATOM 1511 CA THR A 93 11.176 15.451 -8.685 1.00 0.00 C ATOM 1512 C THR A 93 10.907 13.979 -8.366 1.00 0.00 C ATOM 1513 O THR A 93 11.821 13.157 -8.393 1.00 0.00 O ATOM 1514 CB THR A 93 12.636 15.738 -9.041 1.00 0.00 C ATOM 1515 OG1 THR A 93 12.621 17.085 -9.507 1.00 0.00 O ATOM 1516 CG2 THR A 93 13.114 14.931 -10.249 1.00 0.00 C ATOM 0 H THR A 93 11.342 16.102 -6.700 1.00 0.00 H new ATOM 0 HA THR A 93 10.563 15.680 -9.557 1.00 0.00 H new ATOM 0 HB THR A 93 13.269 15.515 -8.182 1.00 0.00 H new ATOM 0 HG1 THR A 93 13.529 17.354 -9.758 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.156 15.173 -10.459 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.025 13.866 -10.034 1.00 0.00 H new ATOM 0 HG23 THR A 93 12.503 15.178 -11.117 1.00 0.00 H new ATOM 1524 N CYS A 94 9.647 13.692 -8.070 1.00 0.00 N ATOM 1525 CA CYS A 94 9.246 12.334 -7.746 1.00 0.00 C ATOM 1526 C CYS A 94 8.907 11.609 -9.050 1.00 0.00 C ATOM 1527 O CYS A 94 8.052 12.059 -9.810 1.00 0.00 O ATOM 1528 CB CYS A 94 8.077 12.310 -6.759 1.00 0.00 C ATOM 1529 SG CYS A 94 6.978 10.854 -6.906 1.00 0.00 S ATOM 0 H CYS A 94 8.891 14.377 -8.048 1.00 0.00 H new ATOM 0 HA CYS A 94 10.067 11.819 -7.248 1.00 0.00 H new ATOM 0 HB2 CYS A 94 8.475 12.346 -5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.482 13.212 -6.900 1.00 0.00 H new ATOM 1534 N PRO A 95 9.613 10.468 -9.273 1.00 0.00 N ATOM 1535 CA PRO A 95 9.396 9.676 -10.472 1.00 0.00 C ATOM 1536 C PRO A 95 8.087 8.889 -10.379 1.00 0.00 C ATOM 1537 O PRO A 95 7.561 8.679 -9.287 1.00 0.00 O ATOM 1538 CB PRO A 95 10.621 8.782 -10.580 1.00 0.00 C ATOM 1539 CG PRO A 95 11.254 8.773 -9.199 1.00 0.00 C ATOM 1540 CD PRO A 95 10.634 9.904 -8.394 1.00 0.00 C ATOM 0 HA PRO A 95 9.287 10.288 -11.367 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.343 7.774 -10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.318 9.163 -11.326 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.083 7.816 -8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.334 8.904 -9.273 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.198 9.536 -7.465 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.379 10.651 -8.122 1.00 0.00 H new ATOM 1548 N SER A 96 7.600 8.474 -11.539 1.00 0.00 N ATOM 1549 CA SER A 96 6.363 7.715 -11.602 1.00 0.00 C ATOM 1550 C SER A 96 6.632 6.247 -11.262 1.00 0.00 C ATOM 1551 O SER A 96 7.781 5.850 -11.076 1.00 0.00 O ATOM 1552 CB SER A 96 5.716 7.829 -12.984 1.00 0.00 C ATOM 1553 OG SER A 96 6.521 7.239 -14.001 1.00 0.00 O ATOM 0 H SER A 96 8.040 8.649 -12.443 1.00 0.00 H new ATOM 0 HA SER A 96 5.670 8.130 -10.871 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.740 7.345 -12.968 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.547 8.880 -13.220 1.00 0.00 H new ATOM 0 HG SER A 96 6.073 7.331 -14.868 1.00 0.00 H new ATOM 1559 N CYS A 97 5.552 5.482 -11.192 1.00 0.00 N ATOM 1560 CA CYS A 97 5.658 4.067 -10.878 1.00 0.00 C ATOM 1561 C CYS A 97 5.451 3.272 -12.168 1.00 0.00 C ATOM 1562 O CYS A 97 4.543 2.446 -12.254 1.00 0.00 O ATOM 1563 CB CYS A 97 4.666 3.655 -9.788 1.00 0.00 C ATOM 1564 SG CYS A 97 4.828 1.923 -9.219 1.00 0.00 S ATOM 0 H CYS A 97 4.600 5.815 -11.347 1.00 0.00 H new ATOM 0 HA CYS A 97 6.649 3.854 -10.476 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.793 4.317 -8.932 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.653 3.807 -10.162 1.00 0.00 H new ATOM 1569 N ASP A 98 6.309 3.548 -13.140 1.00 0.00 N ATOM 1570 CA ASP A 98 6.232 2.869 -14.422 1.00 0.00 C ATOM 1571 C ASP A 98 7.642 2.487 -14.877 1.00 0.00 C ATOM 1572 O ASP A 98 7.875 1.356 -15.302 1.00 0.00 O ATOM 1573 CB ASP A 98 5.620 3.777 -15.490 1.00 0.00 C ATOM 1574 CG ASP A 98 5.187 3.064 -16.773 1.00 0.00 C ATOM 1575 OD1 ASP A 98 4.533 2.007 -16.642 1.00 0.00 O ATOM 1576 OD2 ASP A 98 5.519 3.593 -17.856 1.00 0.00 O ATOM 0 H ASP A 98 7.061 4.233 -13.065 1.00 0.00 H new ATOM 0 HA ASP A 98 5.606 1.985 -14.299 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.754 4.283 -15.063 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.345 4.549 -15.748 1.00 0.00 H new ATOM 1581 N SER A 99 8.544 3.451 -14.772 1.00 0.00 N ATOM 1582 CA SER A 99 9.925 3.229 -15.168 1.00 0.00 C ATOM 1583 C SER A 99 10.628 2.341 -14.139 1.00 0.00 C ATOM 1584 O SER A 99 11.634 2.740 -13.554 1.00 0.00 O ATOM 1585 CB SER A 99 10.672 4.555 -15.324 1.00 0.00 C ATOM 1586 OG SER A 99 11.642 4.502 -16.367 1.00 0.00 O ATOM 0 H SER A 99 8.346 4.387 -14.419 1.00 0.00 H new ATOM 0 HA SER A 99 9.928 2.725 -16.135 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.958 5.351 -15.534 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.163 4.807 -14.384 1.00 0.00 H new ATOM 0 HG SER A 99 12.096 5.368 -16.436 1.00 0.00 H new ATOM 1592 N TYR A 100 10.071 1.154 -13.950 1.00 0.00 N ATOM 1593 CA TYR A 100 10.632 0.207 -13.003 1.00 0.00 C ATOM 1594 C TYR A 100 10.438 -1.232 -13.485 1.00 0.00 C ATOM 1595 O TYR A 100 10.068 -1.460 -14.636 1.00 0.00 O ATOM 1596 CB TYR A 100 9.856 0.404 -11.699 1.00 0.00 C ATOM 1597 CG TYR A 100 10.052 1.781 -11.061 1.00 0.00 C ATOM 1598 CD1 TYR A 100 11.301 2.368 -11.056 1.00 0.00 C ATOM 1599 CD2 TYR A 100 8.980 2.435 -10.489 1.00 0.00 C ATOM 1600 CE1 TYR A 100 11.486 3.663 -10.455 1.00 0.00 C ATOM 1601 CE2 TYR A 100 9.165 3.731 -9.888 1.00 0.00 C ATOM 1602 CZ TYR A 100 10.408 4.281 -9.901 1.00 0.00 C ATOM 1603 OH TYR A 100 10.582 5.504 -9.333 1.00 0.00 O ATOM 0 H TYR A 100 9.237 0.827 -14.437 1.00 0.00 H new ATOM 0 HA TYR A 100 11.702 0.374 -12.882 1.00 0.00 H new ATOM 0 HB2 TYR A 100 8.794 0.253 -11.893 1.00 0.00 H new ATOM 0 HB3 TYR A 100 10.162 -0.362 -10.987 1.00 0.00 H new ATOM 0 HD1 TYR A 100 12.140 1.856 -11.503 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.003 1.975 -10.492 1.00 0.00 H new ATOM 0 HE1 TYR A 100 12.458 4.133 -10.444 1.00 0.00 H new ATOM 0 HE2 TYR A 100 8.335 4.254 -9.437 1.00 0.00 H new ATOM 0 HH TYR A 100 9.726 5.825 -8.979 1.00 0.00 H new ATOM 1613 N GLU A 101 10.696 -2.166 -12.581 1.00 0.00 N ATOM 1614 CA GLU A 101 10.554 -3.576 -12.900 1.00 0.00 C ATOM 1615 C GLU A 101 9.460 -4.208 -12.037 1.00 0.00 C ATOM 1616 O GLU A 101 9.402 -3.972 -10.831 1.00 0.00 O ATOM 1617 CB GLU A 101 11.883 -4.314 -12.728 1.00 0.00 C ATOM 1618 CG GLU A 101 11.666 -5.828 -12.670 1.00 0.00 C ATOM 1619 CD GLU A 101 12.681 -6.561 -13.549 1.00 0.00 C ATOM 1620 OE1 GLU A 101 13.788 -6.830 -13.035 1.00 0.00 O ATOM 1621 OE2 GLU A 101 12.327 -6.835 -14.716 1.00 0.00 O ATOM 0 H GLU A 101 11.003 -1.973 -11.627 1.00 0.00 H new ATOM 0 HA GLU A 101 10.260 -3.664 -13.946 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.548 -4.070 -13.556 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.374 -3.978 -11.815 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.756 -6.173 -11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.655 -6.067 -12.999 1.00 0.00 H new ATOM 1628 N LYS A 102 8.619 -4.998 -12.688 1.00 0.00 N ATOM 1629 CA LYS A 102 7.530 -5.666 -11.996 1.00 0.00 C ATOM 1630 C LYS A 102 8.096 -6.481 -10.831 1.00 0.00 C ATOM 1631 O LYS A 102 9.312 -6.572 -10.665 1.00 0.00 O ATOM 1632 CB LYS A 102 6.697 -6.492 -12.977 1.00 0.00 C ATOM 1633 CG LYS A 102 6.194 -5.626 -14.134 1.00 0.00 C ATOM 1634 CD LYS A 102 5.399 -4.426 -13.614 1.00 0.00 C ATOM 1635 CE LYS A 102 6.192 -3.129 -13.783 1.00 0.00 C ATOM 1636 NZ LYS A 102 5.531 -2.241 -14.765 1.00 0.00 N ATOM 0 H LYS A 102 8.670 -5.191 -13.688 1.00 0.00 H new ATOM 0 HA LYS A 102 6.844 -4.934 -11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.297 -7.314 -13.367 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.849 -6.936 -12.455 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.040 -5.277 -14.727 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.566 -6.224 -14.795 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.454 -4.351 -14.151 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.157 -4.574 -12.562 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.277 -2.620 -12.823 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.205 -3.356 -14.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.083 -1.365 -14.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.473 -2.723 -15.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.573 -2.010 -14.434 1.00 0.00 H new ATOM 1650 N LYS A 103 7.188 -7.053 -10.054 1.00 0.00 N ATOM 1651 CA LYS A 103 7.581 -7.857 -8.910 1.00 0.00 C ATOM 1652 C LYS A 103 6.428 -8.786 -8.525 1.00 0.00 C ATOM 1653 O LYS A 103 5.309 -8.627 -9.010 1.00 0.00 O ATOM 1654 CB LYS A 103 8.059 -6.962 -7.765 1.00 0.00 C ATOM 1655 CG LYS A 103 9.583 -7.002 -7.636 1.00 0.00 C ATOM 1656 CD LYS A 103 10.118 -5.696 -7.046 1.00 0.00 C ATOM 1657 CE LYS A 103 11.637 -5.755 -6.871 1.00 0.00 C ATOM 1658 NZ LYS A 103 12.318 -5.261 -8.089 1.00 0.00 N ATOM 0 H LYS A 103 6.181 -6.975 -10.195 1.00 0.00 H new ATOM 0 HA LYS A 103 8.431 -8.491 -9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.732 -5.937 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.603 -7.287 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.876 -7.839 -7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.030 -7.173 -8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.856 -4.864 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.644 -5.507 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.934 -5.153 -6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.946 -6.780 -6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.348 -5.308 -7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.048 -5.852 -8.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.037 -4.276 -8.269 1.00 0.00 H new ATOM 1672 N PRO A 104 6.749 -9.762 -7.633 1.00 0.00 N ATOM 1673 CA PRO A 104 5.754 -10.717 -7.177 1.00 0.00 C ATOM 1674 C PRO A 104 4.792 -10.071 -6.177 1.00 0.00 C ATOM 1675 O PRO A 104 4.984 -8.923 -5.779 1.00 0.00 O ATOM 1676 CB PRO A 104 6.552 -11.862 -6.578 1.00 0.00 C ATOM 1677 CG PRO A 104 7.938 -11.304 -6.300 1.00 0.00 C ATOM 1678 CD PRO A 104 8.064 -9.981 -7.038 1.00 0.00 C ATOM 0 HA PRO A 104 5.114 -11.075 -7.984 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.086 -12.225 -5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.602 -12.706 -7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.084 -11.159 -5.230 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.705 -12.002 -6.635 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.331 -9.172 -6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.841 -10.025 -7.801 1.00 0.00 H new ATOM 1686 N PRO A 105 3.752 -10.857 -5.791 1.00 0.00 N ATOM 1687 CA PRO A 105 2.760 -10.374 -4.845 1.00 0.00 C ATOM 1688 C PRO A 105 3.322 -10.358 -3.422 1.00 0.00 C ATOM 1689 O PRO A 105 3.200 -9.360 -2.714 1.00 0.00 O ATOM 1690 CB PRO A 105 1.574 -11.311 -5.005 1.00 0.00 C ATOM 1691 CG PRO A 105 2.116 -12.554 -5.692 1.00 0.00 C ATOM 1692 CD PRO A 105 3.493 -12.221 -6.242 1.00 0.00 C ATOM 0 HA PRO A 105 2.464 -9.343 -5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.138 -11.558 -4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.787 -10.847 -5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.177 -13.383 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.450 -12.867 -6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.247 -12.912 -5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.512 -12.289 -7.330 1.00 0.00 H new ATOM 1700 N LYS A 106 3.925 -11.476 -3.046 1.00 0.00 N ATOM 1701 CA LYS A 106 4.506 -11.603 -1.720 1.00 0.00 C ATOM 1702 C LYS A 106 5.330 -10.353 -1.407 1.00 0.00 C ATOM 1703 O LYS A 106 5.262 -9.821 -0.300 1.00 0.00 O ATOM 1704 CB LYS A 106 5.298 -12.907 -1.605 1.00 0.00 C ATOM 1705 CG LYS A 106 6.042 -13.213 -2.907 1.00 0.00 C ATOM 1706 CD LYS A 106 7.397 -13.864 -2.624 1.00 0.00 C ATOM 1707 CE LYS A 106 7.464 -15.273 -3.217 1.00 0.00 C ATOM 1708 NZ LYS A 106 8.757 -15.913 -2.889 1.00 0.00 N ATOM 0 H LYS A 106 4.024 -12.302 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 106 3.722 -11.665 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.011 -12.833 -0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.622 -13.728 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.439 -13.876 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.188 -12.292 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.194 -13.251 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.564 -13.910 -1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.644 -15.877 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.340 -15.225 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.785 -16.868 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.535 -15.345 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.861 -15.976 -1.856 1.00 0.00 H new ATOM 1722 N GLU A 107 6.090 -9.920 -2.402 1.00 0.00 N ATOM 1723 CA GLU A 107 6.927 -8.742 -2.246 1.00 0.00 C ATOM 1724 C GLU A 107 6.080 -7.472 -2.350 1.00 0.00 C ATOM 1725 O GLU A 107 6.097 -6.634 -1.450 1.00 0.00 O ATOM 1726 CB GLU A 107 8.058 -8.733 -3.277 1.00 0.00 C ATOM 1727 CG GLU A 107 9.356 -9.270 -2.671 1.00 0.00 C ATOM 1728 CD GLU A 107 10.573 -8.766 -3.448 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.536 -8.873 -4.693 1.00 0.00 O ATOM 1730 OE2 GLU A 107 11.514 -8.285 -2.780 1.00 0.00 O ATOM 0 H GLU A 107 6.144 -10.363 -3.319 1.00 0.00 H new ATOM 0 HA GLU A 107 7.382 -8.772 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.776 -9.340 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.215 -7.718 -3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.431 -8.959 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.341 -10.360 -2.678 1.00 0.00 H new ATOM 1737 N PHE A 108 5.359 -7.369 -3.457 1.00 0.00 N ATOM 1738 CA PHE A 108 4.507 -6.215 -3.691 1.00 0.00 C ATOM 1739 C PHE A 108 3.693 -5.873 -2.441 1.00 0.00 C ATOM 1740 O PHE A 108 3.405 -4.705 -2.184 1.00 0.00 O ATOM 1741 CB PHE A 108 3.548 -6.589 -4.823 1.00 0.00 C ATOM 1742 CG PHE A 108 2.383 -5.613 -4.999 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.623 -4.328 -5.378 1.00 0.00 C ATOM 1744 CD2 PHE A 108 1.108 -6.029 -4.777 1.00 0.00 C ATOM 1745 CE1 PHE A 108 1.542 -3.423 -5.541 1.00 0.00 C ATOM 1746 CE2 PHE A 108 0.026 -5.123 -4.941 1.00 0.00 C ATOM 1747 CZ PHE A 108 0.266 -3.839 -5.319 1.00 0.00 C ATOM 0 H PHE A 108 5.347 -8.066 -4.202 1.00 0.00 H new ATOM 0 HA PHE A 108 5.116 -5.347 -3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.108 -6.643 -5.757 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.149 -7.585 -4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.636 -3.997 -5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.918 -7.049 -4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.733 -2.403 -5.842 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.987 -5.454 -4.765 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.556 -3.150 -5.443 1.00 0.00 H new ATOM 1757 N LEU A 109 3.345 -6.912 -1.697 1.00 0.00 N ATOM 1758 CA LEU A 109 2.570 -6.736 -0.481 1.00 0.00 C ATOM 1759 C LEU A 109 3.511 -6.374 0.670 1.00 0.00 C ATOM 1760 O LEU A 109 3.258 -5.421 1.406 1.00 0.00 O ATOM 1761 CB LEU A 109 1.713 -7.974 -0.208 1.00 0.00 C ATOM 1762 CG LEU A 109 0.329 -7.989 -0.860 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.357 -6.629 -0.721 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.415 -8.441 -2.319 1.00 0.00 C ATOM 0 H LEU A 109 3.586 -7.879 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 109 1.869 -5.909 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.262 -8.853 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.586 -8.073 0.870 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.289 -8.717 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.339 -6.667 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.471 -6.385 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.249 -5.864 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.582 -8.443 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.055 -7.756 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.833 -9.447 -2.364 1.00 0.00 H new ATOM 1776 N GLU A 110 4.576 -7.152 0.790 1.00 0.00 N ATOM 1777 CA GLU A 110 5.555 -6.925 1.839 1.00 0.00 C ATOM 1778 C GLU A 110 6.163 -5.528 1.703 1.00 0.00 C ATOM 1779 O GLU A 110 6.710 -4.989 2.664 1.00 0.00 O ATOM 1780 CB GLU A 110 6.643 -8.001 1.816 1.00 0.00 C ATOM 1781 CG GLU A 110 7.263 -8.183 3.202 1.00 0.00 C ATOM 1782 CD GLU A 110 8.780 -7.988 3.155 1.00 0.00 C ATOM 1783 OE1 GLU A 110 9.387 -8.492 2.185 1.00 0.00 O ATOM 1784 OE2 GLU A 110 9.298 -7.339 4.089 1.00 0.00 O ATOM 0 H GLU A 110 4.783 -7.941 0.178 1.00 0.00 H new ATOM 0 HA GLU A 110 5.048 -6.988 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.218 -8.946 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.418 -7.725 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.823 -7.469 3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.032 -9.179 3.579 1.00 0.00 H new ATOM 1791 N ARG A 111 6.048 -4.981 0.502 1.00 0.00 N ATOM 1792 CA ARG A 111 6.579 -3.657 0.228 1.00 0.00 C ATOM 1793 C ARG A 111 5.516 -2.591 0.499 1.00 0.00 C ATOM 1794 O ARG A 111 5.785 -1.597 1.171 1.00 0.00 O ATOM 1795 CB ARG A 111 7.049 -3.541 -1.224 1.00 0.00 C ATOM 1796 CG ARG A 111 7.788 -2.222 -1.457 1.00 0.00 C ATOM 1797 CD ARG A 111 9.195 -2.472 -2.004 1.00 0.00 C ATOM 1798 NE ARG A 111 10.154 -1.531 -1.384 1.00 0.00 N ATOM 1799 CZ ARG A 111 11.482 -1.707 -1.377 1.00 0.00 C ATOM 1800 NH1 ARG A 111 12.017 -2.791 -1.957 1.00 0.00 N ATOM 1801 NH2 ARG A 111 12.276 -0.801 -0.791 1.00 0.00 N ATOM 0 H ARG A 111 5.594 -5.431 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 111 7.432 -3.500 0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.705 -4.377 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.191 -3.605 -1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.226 -1.605 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.851 -1.666 -0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.497 -3.499 -1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.200 -2.349 -3.087 1.00 0.00 H new ATOM 0 HE ARG A 111 9.780 -0.696 -0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.413 -3.481 -2.403 1.00 0.00 H new ATOM 0 HH12 ARG A 111 13.028 -2.925 -1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.870 0.024 -0.350 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.287 -0.936 -0.786 1.00 0.00 H new ATOM 1815 N PHE A 112 4.329 -2.835 -0.037 1.00 0.00 N ATOM 1816 CA PHE A 112 3.223 -1.909 0.139 1.00 0.00 C ATOM 1817 C PHE A 112 2.980 -1.621 1.622 1.00 0.00 C ATOM 1818 O PHE A 112 2.950 -0.464 2.037 1.00 0.00 O ATOM 1819 CB PHE A 112 1.980 -2.579 -0.449 1.00 0.00 C ATOM 1820 CG PHE A 112 0.795 -1.631 -0.643 1.00 0.00 C ATOM 1821 CD1 PHE A 112 1.007 -0.354 -1.060 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.470 -2.065 -0.398 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.093 0.526 -1.240 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.570 -1.186 -0.578 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.358 0.092 -0.995 1.00 0.00 C ATOM 0 H PHE A 112 4.109 -3.661 -0.594 1.00 0.00 H new ATOM 0 HA PHE A 112 3.447 -0.964 -0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.239 -3.022 -1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.676 -3.395 0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.012 -0.009 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.638 -3.079 -0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.075 1.540 -1.572 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.575 -1.531 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.195 0.761 -1.131 1.00 0.00 H new ATOM 1835 N LYS A 113 2.812 -2.695 2.380 1.00 0.00 N ATOM 1836 CA LYS A 113 2.572 -2.572 3.808 1.00 0.00 C ATOM 1837 C LYS A 113 3.599 -1.613 4.413 1.00 0.00 C ATOM 1838 O LYS A 113 3.232 -0.640 5.071 1.00 0.00 O ATOM 1839 CB LYS A 113 2.556 -3.952 4.469 1.00 0.00 C ATOM 1840 CG LYS A 113 2.561 -3.830 5.994 1.00 0.00 C ATOM 1841 CD LYS A 113 3.753 -4.575 6.600 1.00 0.00 C ATOM 1842 CE LYS A 113 4.800 -3.594 7.130 1.00 0.00 C ATOM 1843 NZ LYS A 113 4.454 -3.156 8.501 1.00 0.00 N ATOM 0 H LYS A 113 2.837 -3.654 2.032 1.00 0.00 H new ATOM 0 HA LYS A 113 1.587 -2.143 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.672 -4.503 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.424 -4.525 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.602 -2.778 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.632 -4.233 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.410 -5.219 7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.203 -5.222 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.782 -4.066 7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.863 -2.728 6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.286 -2.719 8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 3.679 -2.463 8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 4.153 -3.978 9.063 1.00 0.00 H new ATOM 1857 N SER A 114 4.864 -1.919 4.168 1.00 0.00 N ATOM 1858 CA SER A 114 5.947 -1.096 4.681 1.00 0.00 C ATOM 1859 C SER A 114 5.778 0.347 4.202 1.00 0.00 C ATOM 1860 O SER A 114 5.824 1.280 5.002 1.00 0.00 O ATOM 1861 CB SER A 114 7.308 -1.644 4.247 1.00 0.00 C ATOM 1862 OG SER A 114 8.343 -1.283 5.158 1.00 0.00 O ATOM 0 H SER A 114 5.164 -2.726 3.621 1.00 0.00 H new ATOM 0 HA SER A 114 5.908 -1.118 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.254 -2.730 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.551 -1.267 3.254 1.00 0.00 H new ATOM 0 HG SER A 114 9.196 -1.653 4.847 1.00 0.00 H new ATOM 1868 N LEU A 115 5.587 0.486 2.898 1.00 0.00 N ATOM 1869 CA LEU A 115 5.411 1.800 2.303 1.00 0.00 C ATOM 1870 C LEU A 115 4.414 2.604 3.139 1.00 0.00 C ATOM 1871 O LEU A 115 4.605 3.800 3.358 1.00 0.00 O ATOM 1872 CB LEU A 115 5.016 1.672 0.830 1.00 0.00 C ATOM 1873 CG LEU A 115 5.021 2.970 0.020 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.050 3.992 0.616 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.438 3.532 -0.107 1.00 0.00 C ATOM 0 H LEU A 115 5.550 -0.290 2.237 1.00 0.00 H new ATOM 0 HA LEU A 115 6.351 2.351 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.695 0.966 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.017 1.238 0.778 1.00 0.00 H new ATOM 0 HG LEU A 115 4.673 2.745 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.073 4.905 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.041 3.581 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.344 4.219 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.413 4.454 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.838 3.738 0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.074 2.804 -0.610 1.00 0.00 H new ATOM 1887 N LEU A 116 3.373 1.917 3.585 1.00 0.00 N ATOM 1888 CA LEU A 116 2.346 2.553 4.392 1.00 0.00 C ATOM 1889 C LEU A 116 2.922 2.889 5.769 1.00 0.00 C ATOM 1890 O LEU A 116 2.843 4.032 6.217 1.00 0.00 O ATOM 1891 CB LEU A 116 1.091 1.680 4.447 1.00 0.00 C ATOM 1892 CG LEU A 116 0.515 1.248 3.097 1.00 0.00 C ATOM 1893 CD1 LEU A 116 0.074 -0.217 3.133 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.620 2.177 2.662 1.00 0.00 C ATOM 0 H LEU A 116 3.219 0.925 3.403 1.00 0.00 H new ATOM 0 HA LEU A 116 2.032 3.493 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.320 0.785 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.319 2.222 4.992 1.00 0.00 H new ATOM 0 HG LEU A 116 1.303 1.330 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.332 -0.499 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.931 -0.849 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.692 -0.348 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.011 1.847 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.416 2.151 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.242 3.195 2.570 1.00 0.00 H new ATOM 1906 N GLN A 117 3.488 1.873 6.403 1.00 0.00 N ATOM 1907 CA GLN A 117 4.077 2.046 7.720 1.00 0.00 C ATOM 1908 C GLN A 117 5.325 2.926 7.631 1.00 0.00 C ATOM 1909 O GLN A 117 5.922 3.267 8.651 1.00 0.00 O ATOM 1910 CB GLN A 117 4.403 0.694 8.357 1.00 0.00 C ATOM 1911 CG GLN A 117 5.818 0.241 7.989 1.00 0.00 C ATOM 1912 CD GLN A 117 6.799 0.526 9.128 1.00 0.00 C ATOM 1913 OE1 GLN A 117 6.447 0.538 10.296 1.00 0.00 O ATOM 1914 NE2 GLN A 117 8.045 0.754 8.724 1.00 0.00 N ATOM 0 H GLN A 117 3.551 0.926 6.029 1.00 0.00 H new ATOM 0 HA GLN A 117 3.349 2.545 8.360 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.311 0.767 9.441 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.681 -0.052 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.815 -0.826 7.765 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.145 0.756 7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.271 0.729 7.730 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.774 0.954 9.408 1.00 0.00 H new ATOM 1923 N LYS A 118 5.683 3.269 6.402 1.00 0.00 N ATOM 1924 CA LYS A 118 6.850 4.102 6.168 1.00 0.00 C ATOM 1925 C LYS A 118 6.419 5.569 6.106 1.00 0.00 C ATOM 1926 O LYS A 118 6.673 6.334 7.036 1.00 0.00 O ATOM 1927 CB LYS A 118 7.604 3.631 4.923 1.00 0.00 C ATOM 1928 CG LYS A 118 8.606 2.528 5.274 1.00 0.00 C ATOM 1929 CD LYS A 118 9.508 2.208 4.080 1.00 0.00 C ATOM 1930 CE LYS A 118 10.353 3.422 3.689 1.00 0.00 C ATOM 1931 NZ LYS A 118 11.783 3.051 3.600 1.00 0.00 N ATOM 0 H LYS A 118 5.185 2.985 5.558 1.00 0.00 H new ATOM 0 HA LYS A 118 7.555 4.010 6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.895 3.261 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 118 8.128 4.473 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.216 2.842 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.071 1.630 5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 118 10.161 1.371 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.898 1.897 3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.013 3.816 2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 118 10.222 4.216 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.342 3.886 3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 12.108 2.696 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.905 2.309 2.881 1.00 0.00 H new ATOM 1945 N MET A 119 5.775 5.918 5.003 1.00 0.00 N ATOM 1946 CA MET A 119 5.306 7.280 4.808 1.00 0.00 C ATOM 1947 C MET A 119 3.973 7.508 5.522 1.00 0.00 C ATOM 1948 O MET A 119 3.903 8.266 6.488 1.00 0.00 O ATOM 1949 CB MET A 119 5.138 7.553 3.312 1.00 0.00 C ATOM 1950 CG MET A 119 6.028 8.714 2.863 1.00 0.00 C ATOM 1951 SD MET A 119 5.031 9.995 2.121 1.00 0.00 S ATOM 1952 CE MET A 119 4.886 11.115 3.503 1.00 0.00 C ATOM 0 H MET A 119 5.566 5.281 4.234 1.00 0.00 H new ATOM 0 HA MET A 119 6.044 7.962 5.230 1.00 0.00 H new ATOM 0 HB2 MET A 119 5.389 6.657 2.745 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.095 7.785 3.096 1.00 0.00 H new ATOM 0 HG2 MET A 119 6.574 9.115 3.716 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.770 8.359 2.148 1.00 0.00 H new ATOM 0 HE1 MET A 119 4.478 12.066 3.160 1.00 0.00 H new ATOM 0 HE2 MET A 119 4.222 10.684 4.252 1.00 0.00 H new ATOM 0 HE3 MET A 119 5.870 11.280 3.942 1.00 0.00 H new ATOM 1962 N ILE A 120 2.946 6.838 5.019 1.00 0.00 N ATOM 1963 CA ILE A 120 1.618 6.958 5.597 1.00 0.00 C ATOM 1964 C ILE A 120 1.734 7.024 7.121 1.00 0.00 C ATOM 1965 O ILE A 120 0.912 7.656 7.783 1.00 0.00 O ATOM 1966 CB ILE A 120 0.712 5.832 5.096 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.140 6.160 3.716 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.388 5.520 6.113 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.226 6.710 2.789 1.00 0.00 C ATOM 0 H ILE A 120 3.007 6.210 4.217 1.00 0.00 H new ATOM 0 HA ILE A 120 1.143 7.884 5.273 1.00 0.00 H new ATOM 0 HB ILE A 120 1.316 4.931 4.988 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.298 5.263 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.663 6.891 3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.018 4.716 5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 120 0.065 5.211 7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.995 6.410 6.277 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.793 6.935 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.645 7.620 3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 120 2.015 5.967 2.672 1.00 0.00 H new ATOM 1981 N HIS A 121 2.761 6.362 7.633 1.00 0.00 N ATOM 1982 CA HIS A 121 2.995 6.336 9.067 1.00 0.00 C ATOM 1983 C HIS A 121 3.477 7.712 9.533 1.00 0.00 C ATOM 1984 O HIS A 121 2.742 8.438 10.200 1.00 0.00 O ATOM 1985 CB HIS A 121 3.963 5.212 9.440 1.00 0.00 C ATOM 1986 CG HIS A 121 4.021 4.917 10.920 1.00 0.00 C ATOM 1987 ND1 HIS A 121 5.188 4.544 11.565 1.00 0.00 N ATOM 1988 CD2 HIS A 121 3.046 4.946 11.874 1.00 0.00 C ATOM 1989 CE1 HIS A 121 4.915 4.358 12.848 1.00 0.00 C ATOM 1990 NE2 HIS A 121 3.588 4.607 13.037 1.00 0.00 N ATOM 0 H HIS A 121 3.441 5.839 7.080 1.00 0.00 H new ATOM 0 HA HIS A 121 2.062 6.120 9.587 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.672 4.305 8.910 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.962 5.477 9.093 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.009 5.201 11.711 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.620 4.061 13.610 1.00 0.00 H new ATOM 0 HE2 HIS A 121 3.093 4.543 13.926 1.00 0.00 H new ATOM 1998 N GLN A 122 4.709 8.029 9.162 1.00 0.00 N ATOM 1999 CA GLN A 122 5.297 9.304 9.533 1.00 0.00 C ATOM 2000 C GLN A 122 4.282 10.433 9.344 1.00 0.00 C ATOM 2001 O GLN A 122 4.281 11.404 10.098 1.00 0.00 O ATOM 2002 CB GLN A 122 6.572 9.574 8.731 1.00 0.00 C ATOM 2003 CG GLN A 122 6.339 9.343 7.237 1.00 0.00 C ATOM 2004 CD GLN A 122 7.648 9.465 6.453 1.00 0.00 C ATOM 2005 OE1 GLN A 122 8.347 8.495 6.207 1.00 0.00 O ATOM 2006 NE2 GLN A 122 7.939 10.706 6.075 1.00 0.00 N ATOM 0 H GLN A 122 5.316 7.424 8.608 1.00 0.00 H new ATOM 0 HA GLN A 122 5.571 9.261 10.587 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.900 10.600 8.897 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.372 8.923 9.083 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.908 8.354 7.081 1.00 0.00 H new ATOM 0 HG3 GLN A 122 5.617 10.068 6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.310 11.473 6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.791 10.891 5.546 1.00 0.00 H new ATOM 2015 N HIS A 123 3.442 10.266 8.332 1.00 0.00 N ATOM 2016 CA HIS A 123 2.424 11.259 8.034 1.00 0.00 C ATOM 2017 C HIS A 123 1.789 11.750 9.337 1.00 0.00 C ATOM 2018 O HIS A 123 1.768 12.950 9.608 1.00 0.00 O ATOM 2019 CB HIS A 123 1.395 10.703 7.047 1.00 0.00 C ATOM 2020 CG HIS A 123 0.656 11.764 6.267 1.00 0.00 C ATOM 2021 ND1 HIS A 123 1.204 12.407 5.171 1.00 0.00 N ATOM 2022 CD2 HIS A 123 -0.592 12.287 6.437 1.00 0.00 C ATOM 2023 CE1 HIS A 123 0.317 13.276 4.709 1.00 0.00 C ATOM 2024 NE2 HIS A 123 -0.795 13.201 5.495 1.00 0.00 N ATOM 0 H HIS A 123 3.446 9.458 7.709 1.00 0.00 H new ATOM 0 HA HIS A 123 2.882 12.119 7.546 1.00 0.00 H new ATOM 0 HB2 HIS A 123 1.901 10.038 6.347 1.00 0.00 H new ATOM 0 HB3 HIS A 123 0.671 10.099 7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -1.296 12.006 7.207 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.451 13.929 3.859 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -1.643 13.756 5.379 1.00 0.00 H new ATOM 2032 N LEU A 124 1.288 10.798 10.110 1.00 0.00 N ATOM 2033 CA LEU A 124 0.654 11.119 11.377 1.00 0.00 C ATOM 2034 C LEU A 124 1.666 10.933 12.510 1.00 0.00 C ATOM 2035 O LEU A 124 1.931 11.863 13.269 1.00 0.00 O ATOM 2036 CB LEU A 124 -0.627 10.303 11.558 1.00 0.00 C ATOM 2037 CG LEU A 124 -1.639 10.857 12.563 1.00 0.00 C ATOM 2038 CD1 LEU A 124 -2.328 12.108 12.016 1.00 0.00 C ATOM 2039 CD2 LEU A 124 -2.647 9.782 12.976 1.00 0.00 C ATOM 0 H LEU A 124 1.308 9.804 9.883 1.00 0.00 H new ATOM 0 HA LEU A 124 0.344 12.164 11.393 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.118 10.215 10.589 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.351 9.295 11.868 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.099 11.154 13.462 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.042 12.481 12.750 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.581 12.876 11.814 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.853 11.860 11.093 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.355 10.202 13.691 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.185 9.431 12.096 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -2.120 8.946 13.436 1.00 0.00 H new ATOM 2051 N SER A 125 2.204 9.724 12.587 1.00 0.00 N ATOM 2052 CA SER A 125 3.181 9.404 13.614 1.00 0.00 C ATOM 2053 C SER A 125 4.593 9.454 13.026 1.00 0.00 C ATOM 2054 O SER A 125 5.127 8.432 12.598 1.00 0.00 O ATOM 2055 CB SER A 125 2.908 8.028 14.223 1.00 0.00 C ATOM 2056 OG SER A 125 4.065 7.484 14.854 1.00 0.00 O ATOM 0 H SER A 125 1.982 8.955 11.955 1.00 0.00 H new ATOM 0 HA SER A 125 3.099 10.146 14.408 1.00 0.00 H new ATOM 0 HB2 SER A 125 2.101 8.108 14.952 1.00 0.00 H new ATOM 0 HB3 SER A 125 2.567 7.348 13.443 1.00 0.00 H new ATOM 0 HG SER A 125 4.739 7.272 14.175 1.00 0.00 H new ATOM 2062 N SER A 126 5.157 10.653 13.025 1.00 0.00 N ATOM 2063 CA SER A 126 6.496 10.849 12.497 1.00 0.00 C ATOM 2064 C SER A 126 7.416 9.721 12.970 1.00 0.00 C ATOM 2065 O SER A 126 7.916 8.943 12.160 1.00 0.00 O ATOM 2066 CB SER A 126 7.061 12.207 12.920 1.00 0.00 C ATOM 2067 OG SER A 126 6.246 13.287 12.474 1.00 0.00 O ATOM 0 H SER A 126 4.711 11.498 13.381 1.00 0.00 H new ATOM 0 HA SER A 126 6.440 10.831 11.409 1.00 0.00 H new ATOM 0 HB2 SER A 126 7.146 12.242 14.006 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.067 12.322 12.518 1.00 0.00 H new ATOM 0 HG SER A 126 6.640 14.136 12.765 1.00 0.00 H new ATOM 2073 N ARG A 127 7.610 9.669 14.280 1.00 0.00 N ATOM 2074 CA ARG A 127 8.460 8.650 14.870 1.00 0.00 C ATOM 2075 C ARG A 127 9.905 8.825 14.399 1.00 0.00 C ATOM 2076 O ARG A 127 10.196 8.683 13.212 1.00 0.00 O ATOM 2077 CB ARG A 127 7.977 7.246 14.499 1.00 0.00 C ATOM 2078 CG ARG A 127 7.818 6.374 15.746 1.00 0.00 C ATOM 2079 CD ARG A 127 6.559 5.509 15.652 1.00 0.00 C ATOM 2080 NE ARG A 127 5.676 5.773 16.810 1.00 0.00 N ATOM 2081 CZ ARG A 127 4.731 4.928 17.243 1.00 0.00 C ATOM 2082 NH1 ARG A 127 4.539 3.759 16.615 1.00 0.00 N ATOM 2083 NH2 ARG A 127 3.976 5.251 18.302 1.00 0.00 N ATOM 0 H ARG A 127 7.193 10.316 14.949 1.00 0.00 H new ATOM 0 HA ARG A 127 8.411 8.765 15.953 1.00 0.00 H new ATOM 0 HB2 ARG A 127 7.024 7.312 13.973 1.00 0.00 H new ATOM 0 HB3 ARG A 127 8.687 6.782 13.815 1.00 0.00 H new ATOM 0 HG2 ARG A 127 8.694 5.736 15.862 1.00 0.00 H new ATOM 0 HG3 ARG A 127 7.764 7.006 16.632 1.00 0.00 H new ATOM 0 HD2 ARG A 127 6.029 5.723 14.724 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.833 4.454 15.626 1.00 0.00 H new ATOM 0 HE ARG A 127 5.794 6.654 17.310 1.00 0.00 H new ATOM 0 HH11 ARG A 127 5.112 3.513 15.808 1.00 0.00 H new ATOM 0 HH12 ARG A 127 3.820 3.115 16.944 1.00 0.00 H new ATOM 0 HH21 ARG A 127 4.121 6.141 18.779 1.00 0.00 H new ATOM 0 HH22 ARG A 127 3.257 4.607 18.631 1.00 0.00 H new ATOM 2097 N THR A 128 10.772 9.131 15.352 1.00 0.00 N ATOM 2098 CA THR A 128 12.180 9.328 15.049 1.00 0.00 C ATOM 2099 C THR A 128 12.731 8.128 14.276 1.00 0.00 C ATOM 2100 O THR A 128 12.473 6.981 14.637 1.00 0.00 O ATOM 2101 CB THR A 128 12.914 9.593 16.365 1.00 0.00 C ATOM 2102 OG1 THR A 128 12.475 10.892 16.752 1.00 0.00 O ATOM 2103 CG2 THR A 128 14.424 9.752 16.171 1.00 0.00 C ATOM 0 H THR A 128 10.527 9.248 16.335 1.00 0.00 H new ATOM 0 HA THR A 128 12.329 10.190 14.399 1.00 0.00 H new ATOM 0 HB THR A 128 12.721 8.775 17.059 1.00 0.00 H new ATOM 0 HG1 THR A 128 12.901 11.143 17.598 1.00 0.00 H new ATOM 0 HG21 THR A 128 14.897 9.938 17.135 1.00 0.00 H new ATOM 0 HG22 THR A 128 14.833 8.840 15.736 1.00 0.00 H new ATOM 0 HG23 THR A 128 14.619 10.591 15.503 1.00 0.00 H new ATOM 2111 N HIS A 129 13.481 8.434 13.227 1.00 0.00 N ATOM 2112 CA HIS A 129 14.071 7.395 12.401 1.00 0.00 C ATOM 2113 C HIS A 129 14.814 6.394 13.287 1.00 0.00 C ATOM 2114 O HIS A 129 15.726 6.768 14.023 1.00 0.00 O ATOM 2115 CB HIS A 129 14.963 8.004 11.317 1.00 0.00 C ATOM 2116 CG HIS A 129 14.209 8.493 10.104 1.00 0.00 C ATOM 2117 ND1 HIS A 129 14.415 9.743 9.546 1.00 0.00 N ATOM 2118 CD2 HIS A 129 13.249 7.887 9.347 1.00 0.00 C ATOM 2119 CE1 HIS A 129 13.610 9.873 8.502 1.00 0.00 C ATOM 2120 NE2 HIS A 129 12.888 8.722 8.381 1.00 0.00 N ATOM 0 H HIS A 129 13.693 9.387 12.931 1.00 0.00 H new ATOM 0 HA HIS A 129 13.284 6.850 11.879 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.521 8.837 11.745 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.694 7.259 11.002 1.00 0.00 H new ATOM 0 HD2 HIS A 129 12.851 6.896 9.507 1.00 0.00 H new ATOM 0 HE1 HIS A 129 13.538 10.738 7.860 1.00 0.00 H new ATOM 0 HE2 HIS A 129 12.186 8.534 7.665 1.00 0.00 H new ATOM 2128 N GLY A 130 14.397 5.140 13.188 1.00 0.00 N ATOM 2129 CA GLY A 130 15.011 4.083 13.972 1.00 0.00 C ATOM 2130 C GLY A 130 14.179 2.800 13.910 1.00 0.00 C ATOM 2131 O GLY A 130 13.246 2.623 14.692 1.00 0.00 O ATOM 0 H GLY A 130 13.641 4.833 12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 130 16.017 3.887 13.600 1.00 0.00 H new ATOM 0 HA3 GLY A 130 15.112 4.406 15.008 1.00 0.00 H new ATOM 2135 N SER A 131 14.548 1.938 12.974 1.00 0.00 N ATOM 2136 CA SER A 131 13.847 0.677 12.800 1.00 0.00 C ATOM 2137 C SER A 131 14.470 -0.395 13.696 1.00 0.00 C ATOM 2138 O SER A 131 15.692 -0.525 13.757 1.00 0.00 O ATOM 2139 CB SER A 131 13.874 0.229 11.338 1.00 0.00 C ATOM 2140 OG SER A 131 12.719 -0.530 10.990 1.00 0.00 O ATOM 0 H SER A 131 15.323 2.088 12.328 1.00 0.00 H new ATOM 0 HA SER A 131 12.806 0.822 13.088 1.00 0.00 H new ATOM 0 HB2 SER A 131 13.941 1.104 10.692 1.00 0.00 H new ATOM 0 HB3 SER A 131 14.768 -0.368 11.158 1.00 0.00 H new ATOM 0 HG SER A 131 12.774 -0.796 10.048 1.00 0.00 H new ATOM 2146 N GLU A 132 13.602 -1.137 14.368 1.00 0.00 N ATOM 2147 CA GLU A 132 14.052 -2.195 15.257 1.00 0.00 C ATOM 2148 C GLU A 132 14.556 -3.391 14.447 1.00 0.00 C ATOM 2149 O GLU A 132 13.821 -4.352 14.229 1.00 0.00 O ATOM 2150 CB GLU A 132 12.938 -2.614 16.218 1.00 0.00 C ATOM 2151 CG GLU A 132 13.481 -3.517 17.327 1.00 0.00 C ATOM 2152 CD GLU A 132 12.343 -4.225 18.065 1.00 0.00 C ATOM 2153 OE1 GLU A 132 11.569 -3.508 18.736 1.00 0.00 O ATOM 2154 OE2 GLU A 132 12.273 -5.467 17.942 1.00 0.00 O ATOM 0 H GLU A 132 12.589 -1.027 14.315 1.00 0.00 H new ATOM 0 HA GLU A 132 14.879 -1.813 15.856 1.00 0.00 H new ATOM 0 HB2 GLU A 132 12.480 -1.728 16.657 1.00 0.00 H new ATOM 0 HB3 GLU A 132 12.156 -3.138 15.668 1.00 0.00 H new ATOM 0 HG2 GLU A 132 14.158 -4.257 16.900 1.00 0.00 H new ATOM 0 HG3 GLU A 132 14.062 -2.923 18.032 1.00 0.00 H new ATOM 2161 N ASP A 133 15.808 -3.292 14.023 1.00 0.00 N ATOM 2162 CA ASP A 133 16.419 -4.354 13.242 1.00 0.00 C ATOM 2163 C ASP A 133 16.276 -5.680 13.992 1.00 0.00 C ATOM 2164 O ASP A 133 16.542 -5.751 15.191 1.00 0.00 O ATOM 2165 CB ASP A 133 17.911 -4.091 13.028 1.00 0.00 C ATOM 2166 CG ASP A 133 18.272 -3.480 11.673 1.00 0.00 C ATOM 2167 OD1 ASP A 133 17.799 -2.352 11.414 1.00 0.00 O ATOM 2168 OD2 ASP A 133 19.014 -4.154 10.926 1.00 0.00 O ATOM 0 H ASP A 133 16.415 -2.493 14.206 1.00 0.00 H new ATOM 0 HA ASP A 133 15.917 -4.393 12.275 1.00 0.00 H new ATOM 0 HB2 ASP A 133 18.264 -3.425 13.815 1.00 0.00 H new ATOM 0 HB3 ASP A 133 18.450 -5.032 13.141 1.00 0.00 H new ATOM 2173 N SER A 134 15.855 -6.697 13.254 1.00 0.00 N ATOM 2174 CA SER A 134 15.673 -8.017 13.834 1.00 0.00 C ATOM 2175 C SER A 134 16.441 -9.058 13.017 1.00 0.00 C ATOM 2176 O SER A 134 16.200 -10.257 13.149 1.00 0.00 O ATOM 2177 CB SER A 134 14.190 -8.387 13.906 1.00 0.00 C ATOM 2178 OG SER A 134 13.806 -8.800 15.215 1.00 0.00 O ATOM 0 H SER A 134 15.635 -6.634 12.260 1.00 0.00 H new ATOM 0 HA SER A 134 16.065 -8.001 14.851 1.00 0.00 H new ATOM 0 HB2 SER A 134 13.587 -7.530 13.605 1.00 0.00 H new ATOM 0 HB3 SER A 134 13.981 -9.188 13.197 1.00 0.00 H new ATOM 0 HG SER A 134 12.852 -9.026 15.220 1.00 0.00 H new TER 2184 SER A 134