USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 969 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 62 THR OG1 : rot -75:sc= 0.354 USER MOD Set 1.2: A 68 ASN :FLIP amide:sc= -0.677 F(o=-1,f=-0.32) USER MOD Set 2.1: A 38 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 39 HIS : no HE2:sc= 0.0374 X(o=0.037,f=-0.41) USER MOD Set 3.1: A 17 CYS SG : rot -41:sc= -0.0594 USER MOD Set 3.2: A 100 GLN : amide:sc= -1.29 K(o=-1.3,f=-3!) USER MOD Set 4.1: A 5 GLN : amide:sc= -0.0172 K(o=-0.16,f=-0.68) USER MOD Set 4.2: A 10 GLN :FLIP amide:sc= -0.141 F(o=-0.68,f=-0.16) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= 0.0735 (180deg=-0.0455) USER MOD Single : A 3 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.4) USER MOD Single : A 6 ASN : amide:sc= -0.856 K(o=-0.86,f=-5.2!) USER MOD Single : A 15 CYS SG : rot -74:sc= -0.175 USER MOD Single : A 16 CYS SG : rot -36:sc= 1.1 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 50:sc= 0.0554 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0343 X(o=-0.034,f=-0.31) USER MOD Single : A 29 CYS SG : rot 150:sc= -3.24! USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 42 CYS SG : rot 75:sc= 0.0629 USER MOD Single : A 45 MET CE :methyl -157:sc= -0.606 (180deg=-0.965) USER MOD Single : A 46 THR OG1 : rot 165:sc= -0.0492 USER MOD Single : A 53 SER OG : rot 170:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.216 K(o=-0.22,f=-3.2!) USER MOD Single : A 61 MET CE :methyl -146:sc= -0.0486 (180deg=-1.64!) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0144) USER MOD Single : A 79 CYS SG : rot -35:sc= -0.0189 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.748 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.61! C(o=-1.6!,f=-5!) USER MOD Single : A 93 MET CE :methyl 141:sc= -0.393 (180deg=-1.36) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -74:sc= 0.954 USER MOD Single : A 104 LYS NZ :NH3+ -108:sc= 0.244 (180deg=-0.255) USER MOD Single : A 105 SER OG : rot -100:sc= 0.0087 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0.00218 USER MOD Single : A 116 GLN : amide:sc= -0.648 K(o=-0.65,f=-2.3!) USER MOD Single : A 118 HIS : no HE2:sc= -0.459 X(o=-0.46,f=-0.47) USER MOD Single : A 125 HIS : no HE2:sc= -0.788 K(o=-0.79,f=-1.4) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 127 HIS : +bothHN:sc= 0.445 K(o=0.44,f=-3.5!) USER MOD Single : A 128 HIS : no HE2:sc= 0.153 K(o=0.15,f=-1.5) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0631 K(o=-0.063,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.209 -24.992 8.184 1.00 0.00 N ATOM 2 CA MET A 1 -10.793 -25.847 9.333 1.00 0.00 C ATOM 3 C MET A 1 -10.106 -27.143 8.849 1.00 0.00 C ATOM 4 O MET A 1 -9.976 -27.375 7.640 1.00 0.00 O ATOM 5 CB MET A 1 -12.012 -26.177 10.242 1.00 0.00 C ATOM 6 CG MET A 1 -12.663 -24.960 10.909 1.00 0.00 C ATOM 7 SD MET A 1 -14.045 -25.418 11.981 1.00 0.00 S ATOM 8 CE MET A 1 -14.579 -23.823 12.613 1.00 0.00 C ATOM 0 H1 MET A 1 -10.773 -24.052 8.275 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.900 -25.432 7.294 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.244 -24.895 8.181 1.00 0.00 H new ATOM 0 HA MET A 1 -10.067 -25.285 9.920 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.764 -26.692 9.645 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.691 -26.871 11.019 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.914 -24.426 11.494 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.016 -24.273 10.140 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.425 -23.963 13.286 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.758 -23.353 13.154 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.879 -23.184 11.782 1.00 0.00 H new ATOM 20 N GLY A 2 -9.677 -27.983 9.813 1.00 0.00 N ATOM 21 CA GLY A 2 -8.900 -29.191 9.512 1.00 0.00 C ATOM 22 C GLY A 2 -7.405 -28.887 9.370 1.00 0.00 C ATOM 23 O GLY A 2 -6.844 -28.144 10.184 1.00 0.00 O ATOM 0 H GLY A 2 -9.859 -27.842 10.807 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -9.048 -29.925 10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.269 -29.640 8.589 1.00 0.00 H new ATOM 27 N GLN A 3 -6.753 -29.460 8.344 1.00 0.00 N ATOM 28 CA GLN A 3 -5.321 -29.195 8.053 1.00 0.00 C ATOM 29 C GLN A 3 -5.172 -28.038 7.028 1.00 0.00 C ATOM 30 O GLN A 3 -6.049 -27.825 6.178 1.00 0.00 O ATOM 31 CB GLN A 3 -4.608 -30.481 7.533 1.00 0.00 C ATOM 32 CG GLN A 3 -4.451 -31.632 8.563 1.00 0.00 C ATOM 33 CD GLN A 3 -5.760 -32.319 8.977 1.00 0.00 C ATOM 34 OE1 GLN A 3 -6.392 -31.953 9.965 1.00 0.00 O ATOM 35 NE2 GLN A 3 -6.192 -33.300 8.204 1.00 0.00 N ATOM 0 H GLN A 3 -7.192 -30.114 7.696 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.841 -28.894 8.984 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.164 -30.860 6.675 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.617 -30.204 7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.781 -32.383 8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.968 -31.236 9.456 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.648 -33.585 7.389 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.069 -33.772 8.422 1.00 0.00 H new ATOM 44 N GLY A 4 -4.052 -27.297 7.130 1.00 0.00 N ATOM 45 CA GLY A 4 -3.746 -26.173 6.220 1.00 0.00 C ATOM 46 C GLY A 4 -2.241 -26.025 5.961 1.00 0.00 C ATOM 47 O GLY A 4 -1.424 -26.400 6.807 1.00 0.00 O ATOM 0 H GLY A 4 -3.337 -27.458 7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.262 -26.325 5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.131 -25.247 6.648 1.00 0.00 H new ATOM 51 N GLN A 5 -1.868 -25.454 4.798 1.00 0.00 N ATOM 52 CA GLN A 5 -0.446 -25.307 4.401 1.00 0.00 C ATOM 53 C GLN A 5 0.132 -23.952 4.890 1.00 0.00 C ATOM 54 O GLN A 5 -0.528 -22.914 4.803 1.00 0.00 O ATOM 55 CB GLN A 5 -0.304 -25.439 2.860 1.00 0.00 C ATOM 56 CG GLN A 5 1.159 -25.446 2.358 1.00 0.00 C ATOM 57 CD GLN A 5 1.282 -25.700 0.856 1.00 0.00 C ATOM 58 OE1 GLN A 5 1.309 -24.780 0.054 1.00 0.00 O ATOM 59 NE2 GLN A 5 1.336 -26.958 0.464 1.00 0.00 N ATOM 0 H GLN A 5 -2.529 -25.086 4.114 1.00 0.00 H new ATOM 0 HA GLN A 5 0.126 -26.104 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.791 -26.360 2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.836 -24.614 2.385 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.622 -24.489 2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.717 -26.213 2.896 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.312 -27.709 1.154 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.402 -27.180 -0.529 1.00 0.00 H new ATOM 68 N ASN A 6 1.370 -23.991 5.407 1.00 0.00 N ATOM 69 CA ASN A 6 2.076 -22.804 5.947 1.00 0.00 C ATOM 70 C ASN A 6 3.094 -22.229 4.927 1.00 0.00 C ATOM 71 O ASN A 6 3.487 -22.910 3.972 1.00 0.00 O ATOM 72 CB ASN A 6 2.769 -23.183 7.288 1.00 0.00 C ATOM 73 CG ASN A 6 3.804 -24.313 7.184 1.00 0.00 C ATOM 74 OD1 ASN A 6 3.704 -25.206 6.352 1.00 0.00 O ATOM 75 ND2 ASN A 6 4.796 -24.296 8.050 1.00 0.00 N ATOM 0 H ASN A 6 1.918 -24.849 5.465 1.00 0.00 H new ATOM 0 HA ASN A 6 1.345 -22.017 6.134 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.260 -22.296 7.690 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.003 -23.476 8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.498 -25.035 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.862 -23.543 8.735 1.00 0.00 H new ATOM 82 N VAL A 7 3.538 -20.972 5.167 1.00 0.00 N ATOM 83 CA VAL A 7 4.514 -20.259 4.280 1.00 0.00 C ATOM 84 C VAL A 7 5.911 -20.916 4.350 1.00 0.00 C ATOM 85 O VAL A 7 6.725 -20.811 3.427 1.00 0.00 O ATOM 86 CB VAL A 7 4.624 -18.714 4.647 1.00 0.00 C ATOM 87 CG1 VAL A 7 3.236 -18.133 4.959 1.00 0.00 C ATOM 88 CG2 VAL A 7 5.603 -18.418 5.824 1.00 0.00 C ATOM 0 H VAL A 7 3.239 -20.420 5.971 1.00 0.00 H new ATOM 0 HA VAL A 7 4.136 -20.341 3.261 1.00 0.00 H new ATOM 0 HB VAL A 7 5.041 -18.226 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.331 -17.076 5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.591 -18.244 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.800 -18.666 5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.626 -17.345 6.017 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.265 -18.941 6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.603 -18.761 5.560 1.00 0.00 H new ATOM 98 N LEU A 8 6.151 -21.584 5.483 1.00 0.00 N ATOM 99 CA LEU A 8 7.413 -22.261 5.799 1.00 0.00 C ATOM 100 C LEU A 8 7.495 -23.660 5.130 1.00 0.00 C ATOM 101 O LEU A 8 8.588 -24.198 4.935 1.00 0.00 O ATOM 102 CB LEU A 8 7.526 -22.387 7.328 1.00 0.00 C ATOM 103 CG LEU A 8 7.367 -21.062 8.141 1.00 0.00 C ATOM 104 CD1 LEU A 8 7.423 -21.345 9.647 1.00 0.00 C ATOM 105 CD2 LEU A 8 8.425 -20.004 7.732 1.00 0.00 C ATOM 0 H LEU A 8 5.456 -21.671 6.224 1.00 0.00 H new ATOM 0 HA LEU A 8 8.242 -21.672 5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.769 -23.093 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.497 -22.821 7.566 1.00 0.00 H new ATOM 0 HG LEU A 8 6.388 -20.644 7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.311 -20.411 10.197 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.617 -22.026 9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.382 -21.800 9.896 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.280 -19.098 8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.424 -20.399 7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.315 -19.770 6.673 1.00 0.00 H new ATOM 117 N GLY A 9 6.313 -24.223 4.789 1.00 0.00 N ATOM 118 CA GLY A 9 6.194 -25.577 4.226 1.00 0.00 C ATOM 119 C GLY A 9 6.863 -25.761 2.858 1.00 0.00 C ATOM 120 O GLY A 9 7.903 -26.423 2.757 1.00 0.00 O ATOM 0 H GLY A 9 5.418 -23.747 4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.631 -26.288 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.137 -25.827 4.135 1.00 0.00 H new ATOM 124 N GLN A 10 6.275 -25.162 1.799 1.00 0.00 N ATOM 125 CA GLN A 10 6.771 -25.326 0.420 1.00 0.00 C ATOM 126 C GLN A 10 6.339 -24.147 -0.471 1.00 0.00 C ATOM 127 O GLN A 10 5.296 -23.524 -0.222 1.00 0.00 O ATOM 128 CB GLN A 10 6.243 -26.656 -0.198 1.00 0.00 C ATOM 129 CG GLN A 10 4.707 -26.704 -0.413 1.00 0.00 C ATOM 130 CD GLN A 10 4.214 -27.929 -1.194 1.00 0.00 C ATOM 131 OE1 GLN A 10 3.132 -27.772 -1.944 1.00 0.00 O flip ATOM 132 NE2 GLN A 10 4.806 -29.003 -1.137 1.00 0.00 N flip ATOM 0 H GLN A 10 5.455 -24.560 1.876 1.00 0.00 H new ATOM 0 HA GLN A 10 7.860 -25.353 0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.736 -26.817 -1.157 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.532 -27.483 0.451 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.216 -26.687 0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.398 -25.803 -0.942 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.636 -29.097 -0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.468 -29.801 -1.675 1.00 0.00 H new ATOM 141 N ASP A 11 7.187 -23.848 -1.480 1.00 0.00 N ATOM 142 CA ASP A 11 6.856 -22.993 -2.653 1.00 0.00 C ATOM 143 C ASP A 11 6.614 -21.487 -2.294 1.00 0.00 C ATOM 144 O ASP A 11 6.194 -21.144 -1.183 1.00 0.00 O ATOM 145 CB ASP A 11 5.631 -23.599 -3.428 1.00 0.00 C ATOM 146 CG ASP A 11 5.667 -23.366 -4.959 1.00 0.00 C ATOM 147 OD1 ASP A 11 5.820 -22.208 -5.402 1.00 0.00 O ATOM 148 OD2 ASP A 11 5.537 -24.346 -5.729 1.00 0.00 O ATOM 0 H ASP A 11 8.144 -24.200 -1.507 1.00 0.00 H new ATOM 0 HA ASP A 11 7.734 -22.994 -3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.589 -24.671 -3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.713 -23.168 -3.028 1.00 0.00 H new ATOM 153 N LEU A 12 6.895 -20.601 -3.274 1.00 0.00 N ATOM 154 CA LEU A 12 6.641 -19.138 -3.169 1.00 0.00 C ATOM 155 C LEU A 12 6.818 -18.463 -4.571 1.00 0.00 C ATOM 156 O LEU A 12 7.071 -17.258 -4.678 1.00 0.00 O ATOM 157 CB LEU A 12 7.597 -18.501 -2.095 1.00 0.00 C ATOM 158 CG LEU A 12 7.194 -17.091 -1.546 1.00 0.00 C ATOM 159 CD1 LEU A 12 5.808 -17.127 -0.857 1.00 0.00 C ATOM 160 CD2 LEU A 12 8.282 -16.534 -0.598 1.00 0.00 C ATOM 0 H LEU A 12 7.306 -20.876 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 12 5.615 -18.969 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.667 -19.188 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.594 -18.426 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 12 7.115 -16.413 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.559 -16.132 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.053 -17.447 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.835 -17.828 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.978 -15.554 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.413 -17.213 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.224 -16.442 -1.139 1.00 0.00 H new ATOM 172 N GLU A 13 6.653 -19.261 -5.652 1.00 0.00 N ATOM 173 CA GLU A 13 6.840 -18.795 -7.053 1.00 0.00 C ATOM 174 C GLU A 13 5.542 -18.178 -7.634 1.00 0.00 C ATOM 175 O GLU A 13 4.427 -18.572 -7.260 1.00 0.00 O ATOM 176 CB GLU A 13 7.298 -19.969 -7.965 1.00 0.00 C ATOM 177 CG GLU A 13 8.573 -20.693 -7.493 1.00 0.00 C ATOM 178 CD GLU A 13 9.069 -21.762 -8.488 1.00 0.00 C ATOM 179 OE1 GLU A 13 8.293 -22.680 -8.822 1.00 0.00 O ATOM 180 OE2 GLU A 13 10.232 -21.684 -8.943 1.00 0.00 O ATOM 0 H GLU A 13 6.387 -20.243 -5.582 1.00 0.00 H new ATOM 0 HA GLU A 13 7.610 -18.024 -7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.488 -20.696 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.466 -19.585 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.363 -19.958 -7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.380 -21.165 -6.530 1.00 0.00 H new ATOM 187 N VAL A 14 5.702 -17.228 -8.572 1.00 0.00 N ATOM 188 CA VAL A 14 4.572 -16.569 -9.269 1.00 0.00 C ATOM 189 C VAL A 14 4.225 -17.338 -10.584 1.00 0.00 C ATOM 190 O VAL A 14 5.117 -17.896 -11.236 1.00 0.00 O ATOM 191 CB VAL A 14 4.902 -15.044 -9.552 1.00 0.00 C ATOM 192 CG1 VAL A 14 5.991 -14.868 -10.645 1.00 0.00 C ATOM 193 CG2 VAL A 14 3.626 -14.237 -9.892 1.00 0.00 C ATOM 0 H VAL A 14 6.617 -16.892 -8.872 1.00 0.00 H new ATOM 0 HA VAL A 14 3.694 -16.598 -8.624 1.00 0.00 H new ATOM 0 HB VAL A 14 5.313 -14.638 -8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.181 -13.806 -10.802 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.911 -15.358 -10.325 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.647 -15.317 -11.577 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.893 -13.197 -10.080 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.156 -14.657 -10.781 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.930 -14.288 -9.055 1.00 0.00 H new ATOM 203 N CYS A 15 2.925 -17.368 -10.957 1.00 0.00 N ATOM 204 CA CYS A 15 2.429 -18.193 -12.094 1.00 0.00 C ATOM 205 C CYS A 15 1.021 -17.753 -12.555 1.00 0.00 C ATOM 206 O CYS A 15 0.020 -18.263 -12.060 1.00 0.00 O ATOM 207 CB CYS A 15 2.408 -19.696 -11.701 1.00 0.00 C ATOM 208 SG CYS A 15 1.669 -20.795 -12.930 1.00 0.00 S ATOM 0 H CYS A 15 2.195 -16.831 -10.489 1.00 0.00 H new ATOM 0 HA CYS A 15 3.116 -18.043 -12.927 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.431 -20.021 -11.513 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.862 -19.804 -10.764 1.00 0.00 H new ATOM 0 HG CYS A 15 0.378 -20.642 -12.929 1.00 0.00 H new ATOM 214 N CYS A 16 0.983 -16.741 -13.446 1.00 0.00 N ATOM 215 CA CYS A 16 -0.239 -16.283 -14.204 1.00 0.00 C ATOM 216 C CYS A 16 -1.474 -15.886 -13.331 1.00 0.00 C ATOM 217 O CYS A 16 -2.535 -15.563 -13.882 1.00 0.00 O ATOM 218 CB CYS A 16 -0.648 -17.356 -15.238 1.00 0.00 C ATOM 219 SG CYS A 16 -1.948 -16.842 -16.389 1.00 0.00 S ATOM 0 H CYS A 16 1.813 -16.195 -13.677 1.00 0.00 H new ATOM 0 HA CYS A 16 0.066 -15.357 -14.691 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.233 -17.643 -15.812 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.985 -18.245 -14.705 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.802 -16.084 -15.768 1.00 0.00 H new ATOM 225 N CYS A 17 -1.304 -15.858 -11.982 1.00 0.00 N ATOM 226 CA CYS A 17 -2.422 -15.761 -10.991 1.00 0.00 C ATOM 227 C CYS A 17 -3.409 -16.973 -11.106 1.00 0.00 C ATOM 228 O CYS A 17 -4.527 -16.937 -10.592 1.00 0.00 O ATOM 229 CB CYS A 17 -3.162 -14.396 -11.109 1.00 0.00 C ATOM 230 SG CYS A 17 -4.368 -14.065 -9.799 1.00 0.00 S ATOM 0 H CYS A 17 -0.384 -15.902 -11.544 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.982 -15.808 -9.995 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.421 -13.597 -11.111 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.673 -14.359 -12.071 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.030 -15.152 -9.534 1.00 0.00 H new ATOM 236 N ALA A 18 -2.926 -18.067 -11.734 1.00 0.00 N ATOM 237 CA ALA A 18 -3.719 -19.271 -12.066 1.00 0.00 C ATOM 238 C ALA A 18 -2.778 -20.488 -12.322 1.00 0.00 C ATOM 239 O ALA A 18 -1.667 -20.296 -12.827 1.00 0.00 O ATOM 240 CB ALA A 18 -4.594 -18.990 -13.305 1.00 0.00 C ATOM 0 H ALA A 18 -1.953 -18.139 -12.031 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.367 -19.515 -11.224 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.177 -19.878 -13.548 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.268 -18.160 -13.094 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.956 -18.733 -14.150 1.00 0.00 H new ATOM 246 N PRO A 19 -3.202 -21.758 -11.968 1.00 0.00 N ATOM 247 CA PRO A 19 -2.377 -23.002 -12.165 1.00 0.00 C ATOM 248 C PRO A 19 -1.715 -23.172 -13.572 1.00 0.00 C ATOM 249 O PRO A 19 -0.595 -23.691 -13.676 1.00 0.00 O ATOM 250 CB PRO A 19 -3.402 -24.133 -11.895 1.00 0.00 C ATOM 251 CG PRO A 19 -4.346 -23.537 -10.898 1.00 0.00 C ATOM 252 CD PRO A 19 -4.498 -22.083 -11.301 1.00 0.00 C ATOM 0 HA PRO A 19 -1.508 -22.989 -11.508 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.920 -24.428 -12.808 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.917 -25.026 -11.501 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.307 -24.051 -10.912 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.953 -23.624 -9.885 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.342 -21.942 -11.977 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.673 -21.445 -10.435 1.00 0.00 H new ATOM 260 N MET A 20 -2.426 -22.754 -14.643 1.00 0.00 N ATOM 261 CA MET A 20 -1.873 -22.733 -16.028 1.00 0.00 C ATOM 262 C MET A 20 -1.143 -21.390 -16.313 1.00 0.00 C ATOM 263 O MET A 20 -1.645 -20.320 -15.956 1.00 0.00 O ATOM 264 CB MET A 20 -3.003 -22.940 -17.074 1.00 0.00 C ATOM 265 CG MET A 20 -3.707 -24.304 -17.016 1.00 0.00 C ATOM 266 SD MET A 20 -5.007 -24.453 -18.270 1.00 0.00 S ATOM 267 CE MET A 20 -5.680 -26.085 -17.944 1.00 0.00 C ATOM 0 H MET A 20 -3.389 -22.424 -14.580 1.00 0.00 H new ATOM 0 HA MET A 20 -1.156 -23.550 -16.110 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.750 -22.158 -16.938 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.582 -22.809 -18.071 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.973 -25.097 -17.159 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.141 -24.446 -16.026 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.486 -26.294 -18.648 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.895 -26.832 -18.059 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.069 -26.122 -16.926 1.00 0.00 H new ATOM 277 N THR A 21 0.023 -21.460 -16.988 1.00 0.00 N ATOM 278 CA THR A 21 0.834 -20.267 -17.350 1.00 0.00 C ATOM 279 C THR A 21 0.368 -19.637 -18.690 1.00 0.00 C ATOM 280 O THR A 21 0.896 -19.951 -19.764 1.00 0.00 O ATOM 281 CB THR A 21 2.369 -20.612 -17.413 1.00 0.00 C ATOM 282 OG1 THR A 21 2.572 -21.812 -18.184 1.00 0.00 O ATOM 283 CG2 THR A 21 2.979 -20.800 -16.011 1.00 0.00 C ATOM 0 H THR A 21 0.433 -22.341 -17.299 1.00 0.00 H new ATOM 0 HA THR A 21 0.679 -19.531 -16.561 1.00 0.00 H new ATOM 0 HB THR A 21 2.871 -19.769 -17.888 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.096 -21.737 -19.037 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.039 -21.036 -16.104 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.861 -19.881 -15.437 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.469 -21.616 -15.499 1.00 0.00 H new ATOM 291 N GLY A 22 -0.649 -18.756 -18.608 1.00 0.00 N ATOM 292 CA GLY A 22 -1.177 -18.036 -19.780 1.00 0.00 C ATOM 293 C GLY A 22 -0.398 -16.753 -20.102 1.00 0.00 C ATOM 294 O GLY A 22 -0.636 -15.704 -19.483 1.00 0.00 O ATOM 0 H GLY A 22 -1.123 -18.526 -17.734 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.151 -18.697 -20.647 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.223 -17.784 -19.603 1.00 0.00 H new ATOM 298 N TRP A 23 0.538 -16.835 -21.074 1.00 0.00 N ATOM 299 CA TRP A 23 1.395 -15.691 -21.473 1.00 0.00 C ATOM 300 C TRP A 23 0.634 -14.626 -22.311 1.00 0.00 C ATOM 301 O TRP A 23 0.612 -14.668 -23.543 1.00 0.00 O ATOM 302 CB TRP A 23 2.662 -16.187 -22.222 1.00 0.00 C ATOM 303 CG TRP A 23 3.627 -16.953 -21.339 1.00 0.00 C ATOM 304 CD1 TRP A 23 3.792 -18.310 -21.259 1.00 0.00 C ATOM 305 CD2 TRP A 23 4.557 -16.384 -20.398 1.00 0.00 C ATOM 306 NE1 TRP A 23 4.767 -18.611 -20.341 1.00 0.00 N ATOM 307 CE2 TRP A 23 5.250 -17.450 -19.799 1.00 0.00 C ATOM 308 CE3 TRP A 23 4.871 -15.074 -20.011 1.00 0.00 C ATOM 309 CZ2 TRP A 23 6.234 -17.252 -18.830 1.00 0.00 C ATOM 310 CZ3 TRP A 23 5.850 -14.876 -19.054 1.00 0.00 C ATOM 311 CH2 TRP A 23 6.524 -15.961 -18.474 1.00 0.00 C ATOM 0 H TRP A 23 0.721 -17.688 -21.602 1.00 0.00 H new ATOM 0 HA TRP A 23 1.703 -15.195 -20.552 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.357 -16.825 -23.052 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.179 -15.329 -22.652 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.237 -19.037 -21.834 1.00 0.00 H new ATOM 0 HE1 TRP A 23 5.082 -19.551 -20.101 1.00 0.00 H new ATOM 0 HE3 TRP A 23 4.357 -14.233 -20.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 6.749 -18.086 -18.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.099 -13.871 -18.749 1.00 0.00 H new ATOM 0 HH2 TRP A 23 7.287 -15.775 -17.732 1.00 0.00 H new ATOM 322 N TYR A 24 -0.046 -13.716 -21.596 1.00 0.00 N ATOM 323 CA TYR A 24 -0.548 -12.427 -22.132 1.00 0.00 C ATOM 324 C TYR A 24 -0.011 -11.263 -21.258 1.00 0.00 C ATOM 325 O TYR A 24 -0.532 -10.143 -21.313 1.00 0.00 O ATOM 326 CB TYR A 24 -2.106 -12.414 -22.158 1.00 0.00 C ATOM 327 CG TYR A 24 -2.738 -13.322 -23.227 1.00 0.00 C ATOM 328 CD1 TYR A 24 -2.655 -12.992 -24.587 1.00 0.00 C ATOM 329 CD2 TYR A 24 -3.437 -14.485 -22.885 1.00 0.00 C ATOM 330 CE1 TYR A 24 -3.243 -13.784 -25.554 1.00 0.00 C ATOM 331 CE2 TYR A 24 -4.021 -15.280 -23.856 1.00 0.00 C ATOM 332 CZ TYR A 24 -3.923 -14.926 -25.185 1.00 0.00 C ATOM 333 OH TYR A 24 -4.519 -15.711 -26.147 1.00 0.00 O ATOM 0 H TYR A 24 -0.270 -13.852 -20.610 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.193 -12.303 -23.155 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.475 -12.718 -21.178 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -2.445 -11.391 -22.323 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.121 -12.102 -24.884 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.522 -14.767 -21.846 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.171 -13.510 -26.596 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.553 -16.176 -23.573 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.955 -16.478 -25.720 1.00 0.00 H new ATOM 343 N ARG A 25 1.072 -11.557 -20.492 1.00 0.00 N ATOM 344 CA ARG A 25 1.636 -10.668 -19.443 1.00 0.00 C ATOM 345 C ARG A 25 0.549 -10.289 -18.388 1.00 0.00 C ATOM 346 O ARG A 25 -0.011 -9.184 -18.411 1.00 0.00 O ATOM 347 CB ARG A 25 2.310 -9.401 -20.069 1.00 0.00 C ATOM 348 CG ARG A 25 3.116 -8.527 -19.074 1.00 0.00 C ATOM 349 CD ARG A 25 3.594 -7.197 -19.693 1.00 0.00 C ATOM 350 NE ARG A 25 2.464 -6.335 -20.105 1.00 0.00 N ATOM 351 CZ ARG A 25 2.543 -5.049 -20.392 1.00 0.00 C ATOM 352 NH1 ARG A 25 3.671 -4.405 -20.331 1.00 0.00 N ATOM 353 NH2 ARG A 25 1.474 -4.408 -20.744 1.00 0.00 N ATOM 0 H ARG A 25 1.586 -12.433 -20.588 1.00 0.00 H new ATOM 0 HA ARG A 25 2.419 -11.219 -18.921 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.976 -9.721 -20.870 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.536 -8.785 -20.526 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.498 -8.314 -18.202 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.981 -9.090 -18.722 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.212 -6.663 -18.971 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.224 -7.406 -20.558 1.00 0.00 H new ATOM 0 HE ARG A 25 1.545 -6.772 -20.173 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.523 -4.894 -20.056 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.704 -3.411 -20.558 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.580 -4.897 -20.798 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.526 -3.414 -20.968 1.00 0.00 H new ATOM 367 N ASN A 26 0.212 -11.251 -17.502 1.00 0.00 N ATOM 368 CA ASN A 26 -0.827 -11.058 -16.453 1.00 0.00 C ATOM 369 C ASN A 26 -0.210 -11.228 -15.034 1.00 0.00 C ATOM 370 O ASN A 26 0.473 -10.320 -14.550 1.00 0.00 O ATOM 371 CB ASN A 26 -2.027 -12.028 -16.700 1.00 0.00 C ATOM 372 CG ASN A 26 -3.204 -11.827 -15.729 1.00 0.00 C ATOM 373 OD1 ASN A 26 -3.503 -10.712 -15.320 1.00 0.00 O ATOM 374 ND2 ASN A 26 -3.871 -12.899 -15.344 1.00 0.00 N ATOM 0 H ASN A 26 0.644 -12.175 -17.488 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.213 -10.040 -16.511 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.385 -11.894 -17.721 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.673 -13.056 -16.618 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.652 -12.808 -14.694 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.606 -13.819 -15.697 1.00 0.00 H new ATOM 381 N GLY A 27 -0.395 -12.411 -14.394 1.00 0.00 N ATOM 382 CA GLY A 27 0.093 -12.652 -13.024 1.00 0.00 C ATOM 383 C GLY A 27 1.472 -13.293 -12.991 1.00 0.00 C ATOM 384 O GLY A 27 1.693 -14.275 -12.285 1.00 0.00 O ATOM 0 H GLY A 27 -0.878 -13.207 -14.809 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.125 -11.706 -12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.614 -13.295 -12.500 1.00 0.00 H new ATOM 388 N PHE A 28 2.379 -12.765 -13.820 1.00 0.00 N ATOM 389 CA PHE A 28 3.824 -13.088 -13.783 1.00 0.00 C ATOM 390 C PHE A 28 4.586 -11.888 -13.185 1.00 0.00 C ATOM 391 O PHE A 28 5.612 -12.055 -12.522 1.00 0.00 O ATOM 392 CB PHE A 28 4.345 -13.394 -15.212 1.00 0.00 C ATOM 393 CG PHE A 28 3.606 -14.532 -15.917 1.00 0.00 C ATOM 394 CD1 PHE A 28 3.899 -15.865 -15.624 1.00 0.00 C ATOM 395 CD2 PHE A 28 2.630 -14.268 -16.883 1.00 0.00 C ATOM 396 CE1 PHE A 28 3.240 -16.894 -16.272 1.00 0.00 C ATOM 397 CE2 PHE A 28 1.973 -15.299 -17.526 1.00 0.00 C ATOM 398 CZ PHE A 28 2.279 -16.610 -17.222 1.00 0.00 C ATOM 0 H PHE A 28 2.135 -12.092 -14.547 1.00 0.00 H new ATOM 0 HA PHE A 28 3.985 -13.972 -13.166 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.263 -12.492 -15.818 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.404 -13.644 -15.155 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.649 -16.096 -14.882 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.387 -13.245 -17.129 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.477 -17.921 -16.035 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.219 -15.079 -18.267 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.766 -17.415 -17.728 1.00 0.00 H new ATOM 408 N CYS A 29 4.063 -10.672 -13.493 1.00 0.00 N ATOM 409 CA CYS A 29 4.538 -9.373 -12.949 1.00 0.00 C ATOM 410 C CYS A 29 6.021 -9.075 -13.290 1.00 0.00 C ATOM 411 O CYS A 29 6.666 -8.234 -12.651 1.00 0.00 O ATOM 412 CB CYS A 29 4.262 -9.314 -11.429 1.00 0.00 C ATOM 413 SG CYS A 29 2.533 -9.655 -11.027 1.00 0.00 S ATOM 0 H CYS A 29 3.282 -10.566 -14.141 1.00 0.00 H new ATOM 0 HA CYS A 29 3.973 -8.580 -13.439 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.900 -10.036 -10.919 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.532 -8.328 -11.052 1.00 0.00 H new ATOM 0 HG CYS A 29 2.462 -10.219 -9.858 1.00 0.00 H new ATOM 419 N GLN A 30 6.529 -9.736 -14.353 1.00 0.00 N ATOM 420 CA GLN A 30 7.924 -9.595 -14.816 1.00 0.00 C ATOM 421 C GLN A 30 8.041 -8.400 -15.805 1.00 0.00 C ATOM 422 O GLN A 30 8.391 -8.557 -16.986 1.00 0.00 O ATOM 423 CB GLN A 30 8.411 -10.924 -15.473 1.00 0.00 C ATOM 424 CG GLN A 30 9.945 -11.006 -15.688 1.00 0.00 C ATOM 425 CD GLN A 30 10.355 -12.033 -16.744 1.00 0.00 C ATOM 426 OE1 GLN A 30 10.569 -13.203 -16.453 1.00 0.00 O ATOM 427 NE2 GLN A 30 10.465 -11.598 -17.982 1.00 0.00 N ATOM 0 H GLN A 30 5.979 -10.385 -14.916 1.00 0.00 H new ATOM 0 HA GLN A 30 8.566 -9.389 -13.960 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.098 -11.760 -14.848 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.914 -11.043 -16.436 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.316 -10.024 -15.983 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.424 -11.257 -14.742 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.281 -10.618 -18.196 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.734 -12.241 -18.726 1.00 0.00 H new ATOM 436 N THR A 31 7.686 -7.205 -15.315 1.00 0.00 N ATOM 437 CA THR A 31 7.841 -5.942 -16.073 1.00 0.00 C ATOM 438 C THR A 31 9.211 -5.292 -15.762 1.00 0.00 C ATOM 439 O THR A 31 9.703 -4.455 -16.529 1.00 0.00 O ATOM 440 CB THR A 31 6.669 -4.943 -15.774 1.00 0.00 C ATOM 441 OG1 THR A 31 6.811 -3.743 -16.564 1.00 0.00 O ATOM 442 CG2 THR A 31 6.587 -4.580 -14.284 1.00 0.00 C ATOM 0 H THR A 31 7.284 -7.079 -14.386 1.00 0.00 H new ATOM 0 HA THR A 31 7.802 -6.182 -17.136 1.00 0.00 H new ATOM 0 HB THR A 31 5.742 -5.447 -16.046 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.071 -3.132 -16.366 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.762 -3.886 -14.123 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.421 -5.484 -13.698 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.520 -4.112 -13.972 1.00 0.00 H new ATOM 450 N ASP A 32 9.803 -5.675 -14.608 1.00 0.00 N ATOM 451 CA ASP A 32 11.203 -5.349 -14.271 1.00 0.00 C ATOM 452 C ASP A 32 12.155 -6.128 -15.216 1.00 0.00 C ATOM 453 O ASP A 32 12.048 -7.357 -15.335 1.00 0.00 O ATOM 454 CB ASP A 32 11.501 -5.715 -12.794 1.00 0.00 C ATOM 455 CG ASP A 32 10.532 -5.039 -11.808 1.00 0.00 C ATOM 456 OD1 ASP A 32 9.441 -5.599 -11.564 1.00 0.00 O ATOM 457 OD2 ASP A 32 10.850 -3.954 -11.284 1.00 0.00 O ATOM 0 H ASP A 32 9.324 -6.216 -13.888 1.00 0.00 H new ATOM 0 HA ASP A 32 11.362 -4.278 -14.399 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.441 -6.797 -12.673 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.523 -5.423 -12.551 1.00 0.00 H new ATOM 462 N VAL A 33 13.068 -5.399 -15.884 1.00 0.00 N ATOM 463 CA VAL A 33 14.004 -5.973 -16.894 1.00 0.00 C ATOM 464 C VAL A 33 14.973 -7.035 -16.282 1.00 0.00 C ATOM 465 O VAL A 33 15.450 -7.937 -16.983 1.00 0.00 O ATOM 466 CB VAL A 33 14.819 -4.818 -17.599 1.00 0.00 C ATOM 467 CG1 VAL A 33 15.735 -4.055 -16.595 1.00 0.00 C ATOM 468 CG2 VAL A 33 15.618 -5.342 -18.829 1.00 0.00 C ATOM 0 H VAL A 33 13.185 -4.395 -15.746 1.00 0.00 H new ATOM 0 HA VAL A 33 13.398 -6.493 -17.636 1.00 0.00 H new ATOM 0 HB VAL A 33 14.091 -4.098 -17.973 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.277 -3.270 -17.122 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.123 -3.610 -15.810 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.446 -4.751 -16.150 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.165 -4.517 -19.286 1.00 0.00 H new ATOM 0 HG22 VAL A 33 16.322 -6.109 -18.506 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.927 -5.767 -19.557 1.00 0.00 H new ATOM 478 N GLN A 34 15.220 -6.916 -14.966 1.00 0.00 N ATOM 479 CA GLN A 34 16.128 -7.803 -14.202 1.00 0.00 C ATOM 480 C GLN A 34 15.952 -7.544 -12.686 1.00 0.00 C ATOM 481 O GLN A 34 15.770 -8.474 -11.888 1.00 0.00 O ATOM 482 CB GLN A 34 17.610 -7.556 -14.617 1.00 0.00 C ATOM 483 CG GLN A 34 18.651 -8.400 -13.854 1.00 0.00 C ATOM 484 CD GLN A 34 20.096 -8.072 -14.239 1.00 0.00 C ATOM 485 OE1 GLN A 34 20.729 -7.206 -13.645 1.00 0.00 O ATOM 486 NE2 GLN A 34 20.623 -8.739 -15.246 1.00 0.00 N ATOM 0 H GLN A 34 14.790 -6.192 -14.391 1.00 0.00 H new ATOM 0 HA GLN A 34 15.876 -8.840 -14.423 1.00 0.00 H new ATOM 0 HB2 GLN A 34 17.711 -7.759 -15.683 1.00 0.00 H new ATOM 0 HB3 GLN A 34 17.842 -6.501 -14.470 1.00 0.00 H new ATOM 0 HG2 GLN A 34 18.523 -8.242 -12.783 1.00 0.00 H new ATOM 0 HG3 GLN A 34 18.462 -9.456 -14.045 1.00 0.00 H new ATOM 0 HE21 GLN A 34 20.077 -9.455 -15.725 1.00 0.00 H new ATOM 0 HE22 GLN A 34 21.577 -8.539 -15.546 1.00 0.00 H new ATOM 495 N ASP A 35 16.008 -6.253 -12.315 1.00 0.00 N ATOM 496 CA ASP A 35 15.914 -5.795 -10.916 1.00 0.00 C ATOM 497 C ASP A 35 15.111 -4.474 -10.863 1.00 0.00 C ATOM 498 O ASP A 35 14.029 -4.394 -10.271 1.00 0.00 O ATOM 499 CB ASP A 35 17.350 -5.605 -10.348 1.00 0.00 C ATOM 500 CG ASP A 35 17.375 -5.261 -8.852 1.00 0.00 C ATOM 501 OD1 ASP A 35 17.268 -4.066 -8.494 1.00 0.00 O ATOM 502 OD2 ASP A 35 17.472 -6.189 -8.022 1.00 0.00 O ATOM 0 H ASP A 35 16.121 -5.491 -12.983 1.00 0.00 H new ATOM 0 HA ASP A 35 15.395 -6.534 -10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 35 17.921 -6.519 -10.512 1.00 0.00 H new ATOM 0 HB3 ASP A 35 17.850 -4.812 -10.904 1.00 0.00 H new ATOM 507 N ARG A 36 15.673 -3.445 -11.515 1.00 0.00 N ATOM 508 CA ARG A 36 15.107 -2.087 -11.539 1.00 0.00 C ATOM 509 C ARG A 36 14.049 -1.947 -12.664 1.00 0.00 C ATOM 510 O ARG A 36 14.381 -2.068 -13.853 1.00 0.00 O ATOM 511 CB ARG A 36 16.251 -1.055 -11.758 1.00 0.00 C ATOM 512 CG ARG A 36 17.406 -1.143 -10.728 1.00 0.00 C ATOM 513 CD ARG A 36 18.613 -0.261 -11.118 1.00 0.00 C ATOM 514 NE ARG A 36 19.742 -0.382 -10.166 1.00 0.00 N ATOM 515 CZ ARG A 36 20.684 -1.310 -10.206 1.00 0.00 C ATOM 516 NH1 ARG A 36 20.638 -2.294 -11.049 1.00 0.00 N ATOM 517 NH2 ARG A 36 21.673 -1.248 -9.382 1.00 0.00 N ATOM 0 H ARG A 36 16.540 -3.532 -12.045 1.00 0.00 H new ATOM 0 HA ARG A 36 14.616 -1.897 -10.585 1.00 0.00 H new ATOM 0 HB2 ARG A 36 16.662 -1.195 -12.758 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.828 -0.051 -11.725 1.00 0.00 H new ATOM 0 HG2 ARG A 36 17.039 -0.838 -9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 36 17.731 -2.180 -10.639 1.00 0.00 H new ATOM 0 HD2 ARG A 36 18.953 -0.539 -12.116 1.00 0.00 H new ATOM 0 HD3 ARG A 36 18.295 0.781 -11.168 1.00 0.00 H new ATOM 0 HE ARG A 36 19.798 0.308 -9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 36 19.861 -2.368 -11.705 1.00 0.00 H new ATOM 0 HH12 ARG A 36 21.379 -2.995 -11.056 1.00 0.00 H new ATOM 0 HH21 ARG A 36 21.726 -0.487 -8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.403 -1.960 -9.407 1.00 0.00 H new ATOM 531 N GLY A 37 12.775 -1.752 -12.277 1.00 0.00 N ATOM 532 CA GLY A 37 11.732 -1.331 -13.225 1.00 0.00 C ATOM 533 C GLY A 37 11.779 0.179 -13.489 1.00 0.00 C ATOM 534 O GLY A 37 12.632 0.650 -14.256 1.00 0.00 O ATOM 0 H GLY A 37 12.446 -1.879 -11.320 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.857 -1.868 -14.165 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.752 -1.601 -12.831 1.00 0.00 H new ATOM 538 N SER A 38 10.881 0.935 -12.826 1.00 0.00 N ATOM 539 CA SER A 38 10.838 2.421 -12.906 1.00 0.00 C ATOM 540 C SER A 38 9.856 2.984 -11.856 1.00 0.00 C ATOM 541 O SER A 38 10.261 3.671 -10.916 1.00 0.00 O ATOM 542 CB SER A 38 10.443 2.911 -14.326 1.00 0.00 C ATOM 543 OG SER A 38 10.342 4.330 -14.386 1.00 0.00 O ATOM 0 H SER A 38 10.163 0.539 -12.219 1.00 0.00 H new ATOM 0 HA SER A 38 11.841 2.791 -12.696 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.184 2.568 -15.048 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.490 2.466 -14.612 1.00 0.00 H new ATOM 0 HG SER A 38 10.093 4.602 -15.294 1.00 0.00 H new ATOM 549 N HIS A 39 8.557 2.663 -12.023 1.00 0.00 N ATOM 550 CA HIS A 39 7.477 3.126 -11.117 1.00 0.00 C ATOM 551 C HIS A 39 6.310 2.099 -11.093 1.00 0.00 C ATOM 552 O HIS A 39 5.131 2.469 -11.012 1.00 0.00 O ATOM 553 CB HIS A 39 6.994 4.550 -11.548 1.00 0.00 C ATOM 554 CG HIS A 39 6.453 4.655 -12.957 1.00 0.00 C ATOM 555 ND1 HIS A 39 5.163 4.302 -13.288 1.00 0.00 N ATOM 556 CD2 HIS A 39 7.021 5.086 -14.113 1.00 0.00 C ATOM 557 CE1 HIS A 39 4.959 4.511 -14.570 1.00 0.00 C ATOM 558 NE2 HIS A 39 6.065 4.986 -15.096 1.00 0.00 N ATOM 0 H HIS A 39 8.224 2.076 -12.788 1.00 0.00 H new ATOM 0 HA HIS A 39 7.864 3.199 -10.101 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.219 4.877 -10.855 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.828 5.244 -11.445 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.470 3.934 -12.636 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.034 5.441 -14.237 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.037 4.324 -15.101 1.00 0.00 H new ATOM 567 N THR A 40 6.657 0.797 -11.111 1.00 0.00 N ATOM 568 CA THR A 40 5.665 -0.301 -11.237 1.00 0.00 C ATOM 569 C THR A 40 5.271 -0.867 -9.847 1.00 0.00 C ATOM 570 O THR A 40 6.044 -1.586 -9.198 1.00 0.00 O ATOM 571 CB THR A 40 6.210 -1.450 -12.164 1.00 0.00 C ATOM 572 OG1 THR A 40 7.453 -1.968 -11.665 1.00 0.00 O ATOM 573 CG2 THR A 40 6.423 -0.973 -13.609 1.00 0.00 C ATOM 0 H THR A 40 7.622 0.474 -11.040 1.00 0.00 H new ATOM 0 HA THR A 40 4.770 0.117 -11.698 1.00 0.00 H new ATOM 0 HB THR A 40 5.452 -2.233 -12.159 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.771 -2.682 -12.257 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.800 -1.799 -14.213 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.476 -0.625 -14.021 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.145 -0.157 -13.620 1.00 0.00 H new ATOM 581 N VAL A 41 4.068 -0.460 -9.375 1.00 0.00 N ATOM 582 CA VAL A 41 3.448 -0.946 -8.118 1.00 0.00 C ATOM 583 C VAL A 41 1.956 -1.280 -8.372 1.00 0.00 C ATOM 584 O VAL A 41 1.148 -0.379 -8.628 1.00 0.00 O ATOM 585 CB VAL A 41 3.527 0.122 -6.947 1.00 0.00 C ATOM 586 CG1 VAL A 41 2.918 -0.433 -5.622 1.00 0.00 C ATOM 587 CG2 VAL A 41 4.971 0.621 -6.716 1.00 0.00 C ATOM 0 H VAL A 41 3.492 0.225 -9.864 1.00 0.00 H new ATOM 0 HA VAL A 41 4.006 -1.831 -7.810 1.00 0.00 H new ATOM 0 HB VAL A 41 2.928 0.976 -7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.990 0.326 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.871 -0.691 -5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.467 -1.323 -5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.979 1.350 -5.906 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.609 -0.222 -6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.345 1.087 -7.628 1.00 0.00 H new ATOM 597 N CYS A 42 1.594 -2.571 -8.329 1.00 0.00 N ATOM 598 CA CYS A 42 0.178 -3.001 -8.326 1.00 0.00 C ATOM 599 C CYS A 42 -0.185 -3.513 -6.923 1.00 0.00 C ATOM 600 O CYS A 42 0.225 -4.600 -6.519 1.00 0.00 O ATOM 601 CB CYS A 42 -0.062 -4.091 -9.395 1.00 0.00 C ATOM 602 SG CYS A 42 0.342 -3.555 -11.072 1.00 0.00 S ATOM 0 H CYS A 42 2.261 -3.342 -8.296 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.462 -2.154 -8.574 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.536 -4.969 -9.148 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.107 -4.398 -9.362 1.00 0.00 H new ATOM 0 HG CYS A 42 1.633 -3.521 -11.217 1.00 0.00 H new ATOM 608 N ALA A 43 -0.967 -2.709 -6.194 1.00 0.00 N ATOM 609 CA ALA A 43 -1.358 -2.962 -4.794 1.00 0.00 C ATOM 610 C ALA A 43 -2.799 -2.481 -4.586 1.00 0.00 C ATOM 611 O ALA A 43 -3.255 -1.581 -5.299 1.00 0.00 O ATOM 612 CB ALA A 43 -0.390 -2.250 -3.827 1.00 0.00 C ATOM 0 H ALA A 43 -1.357 -1.843 -6.566 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.305 -4.030 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.693 -2.447 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.622 -2.623 -3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.414 -1.176 -4.013 1.00 0.00 H new ATOM 618 N GLU A 44 -3.540 -3.073 -3.645 1.00 0.00 N ATOM 619 CA GLU A 44 -4.958 -2.711 -3.439 1.00 0.00 C ATOM 620 C GLU A 44 -5.199 -2.122 -2.030 1.00 0.00 C ATOM 621 O GLU A 44 -5.100 -2.829 -1.022 1.00 0.00 O ATOM 622 CB GLU A 44 -5.864 -3.941 -3.708 1.00 0.00 C ATOM 623 CG GLU A 44 -7.316 -3.555 -4.009 1.00 0.00 C ATOM 624 CD GLU A 44 -8.198 -4.743 -4.421 1.00 0.00 C ATOM 625 OE1 GLU A 44 -8.634 -5.512 -3.542 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.427 -4.938 -5.630 1.00 0.00 O ATOM 0 H GLU A 44 -3.193 -3.798 -3.017 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.219 -1.929 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.461 -4.506 -4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.841 -4.600 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.747 -3.082 -3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.327 -2.812 -4.806 1.00 0.00 H new ATOM 633 N MET A 45 -5.475 -0.806 -1.986 1.00 0.00 N ATOM 634 CA MET A 45 -5.819 -0.076 -0.750 1.00 0.00 C ATOM 635 C MET A 45 -7.356 -0.025 -0.549 1.00 0.00 C ATOM 636 O MET A 45 -8.104 0.146 -1.516 1.00 0.00 O ATOM 637 CB MET A 45 -5.240 1.357 -0.827 1.00 0.00 C ATOM 638 CG MET A 45 -3.722 1.411 -1.038 1.00 0.00 C ATOM 639 SD MET A 45 -2.810 0.735 0.363 1.00 0.00 S ATOM 640 CE MET A 45 -3.275 1.873 1.668 1.00 0.00 C ATOM 0 H MET A 45 -5.466 -0.212 -2.815 1.00 0.00 H new ATOM 0 HA MET A 45 -5.387 -0.599 0.103 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.728 1.891 -1.642 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.487 1.886 0.093 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.463 0.855 -1.939 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.417 2.445 -1.202 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.519 1.855 2.453 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.352 2.881 1.261 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.237 1.575 2.085 1.00 0.00 H new ATOM 650 N THR A 46 -7.815 -0.149 0.715 1.00 0.00 N ATOM 651 CA THR A 46 -9.264 -0.193 1.051 1.00 0.00 C ATOM 652 C THR A 46 -9.805 1.208 1.406 1.00 0.00 C ATOM 653 O THR A 46 -9.048 2.081 1.837 1.00 0.00 O ATOM 654 CB THR A 46 -9.547 -1.151 2.255 1.00 0.00 C ATOM 655 OG1 THR A 46 -8.948 -0.625 3.449 1.00 0.00 O ATOM 656 CG2 THR A 46 -9.012 -2.574 2.005 1.00 0.00 C ATOM 0 H THR A 46 -7.203 -0.221 1.527 1.00 0.00 H new ATOM 0 HA THR A 46 -9.772 -0.566 0.162 1.00 0.00 H new ATOM 0 HB THR A 46 -10.629 -1.214 2.370 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.324 -1.080 4.231 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.232 -3.202 2.868 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.491 -2.993 1.120 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.934 -2.535 1.850 1.00 0.00 H new ATOM 664 N GLU A 47 -11.132 1.393 1.256 1.00 0.00 N ATOM 665 CA GLU A 47 -11.810 2.684 1.545 1.00 0.00 C ATOM 666 C GLU A 47 -11.798 3.010 3.053 1.00 0.00 C ATOM 667 O GLU A 47 -11.719 4.169 3.441 1.00 0.00 O ATOM 668 CB GLU A 47 -13.270 2.656 1.023 1.00 0.00 C ATOM 669 CG GLU A 47 -13.961 4.034 1.010 1.00 0.00 C ATOM 670 CD GLU A 47 -15.481 3.951 0.784 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.211 3.620 1.751 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.948 4.187 -0.351 1.00 0.00 O ATOM 0 H GLU A 47 -11.765 0.661 0.934 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.256 3.467 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.275 2.250 0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.853 1.975 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.769 4.538 1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.517 4.648 0.226 1.00 0.00 H new ATOM 679 N GLU A 48 -11.878 1.961 3.879 1.00 0.00 N ATOM 680 CA GLU A 48 -11.789 2.054 5.345 1.00 0.00 C ATOM 681 C GLU A 48 -10.499 2.806 5.787 1.00 0.00 C ATOM 682 O GLU A 48 -10.543 3.754 6.577 1.00 0.00 O ATOM 683 CB GLU A 48 -11.821 0.605 5.901 1.00 0.00 C ATOM 684 CG GLU A 48 -11.629 0.463 7.415 1.00 0.00 C ATOM 685 CD GLU A 48 -12.743 1.114 8.248 1.00 0.00 C ATOM 686 OE1 GLU A 48 -13.888 0.615 8.208 1.00 0.00 O ATOM 687 OE2 GLU A 48 -12.481 2.107 8.959 1.00 0.00 O ATOM 0 H GLU A 48 -12.009 1.006 3.544 1.00 0.00 H new ATOM 0 HA GLU A 48 -12.626 2.629 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.776 0.155 5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.044 0.027 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.573 -0.596 7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.674 0.908 7.693 1.00 0.00 H new ATOM 694 N PHE A 49 -9.370 2.383 5.214 1.00 0.00 N ATOM 695 CA PHE A 49 -8.034 2.941 5.506 1.00 0.00 C ATOM 696 C PHE A 49 -7.808 4.301 4.795 1.00 0.00 C ATOM 697 O PHE A 49 -7.130 5.181 5.331 1.00 0.00 O ATOM 698 CB PHE A 49 -6.950 1.894 5.100 1.00 0.00 C ATOM 699 CG PHE A 49 -6.898 0.640 5.997 1.00 0.00 C ATOM 700 CD1 PHE A 49 -8.050 -0.078 6.317 1.00 0.00 C ATOM 701 CD2 PHE A 49 -5.697 0.184 6.526 1.00 0.00 C ATOM 702 CE1 PHE A 49 -8.004 -1.197 7.121 1.00 0.00 C ATOM 703 CE2 PHE A 49 -5.654 -0.939 7.331 1.00 0.00 C ATOM 704 CZ PHE A 49 -6.803 -1.627 7.629 1.00 0.00 C ATOM 0 H PHE A 49 -9.351 1.633 4.523 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.959 3.141 6.575 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.133 1.581 4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.973 2.377 5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.001 0.251 5.925 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.783 0.715 6.305 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.912 -1.735 7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.709 -1.277 7.728 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.763 -2.503 8.260 1.00 0.00 H new ATOM 714 N LEU A 50 -8.390 4.466 3.590 1.00 0.00 N ATOM 715 CA LEU A 50 -8.203 5.680 2.750 1.00 0.00 C ATOM 716 C LEU A 50 -9.037 6.893 3.223 1.00 0.00 C ATOM 717 O LEU A 50 -8.588 8.031 3.092 1.00 0.00 O ATOM 718 CB LEU A 50 -8.472 5.330 1.248 1.00 0.00 C ATOM 719 CG LEU A 50 -7.214 4.921 0.424 1.00 0.00 C ATOM 720 CD1 LEU A 50 -6.328 3.931 1.194 1.00 0.00 C ATOM 721 CD2 LEU A 50 -7.608 4.382 -0.972 1.00 0.00 C ATOM 0 H LEU A 50 -9.002 3.768 3.167 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.166 5.996 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.194 4.515 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.936 6.192 0.769 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.618 5.820 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.461 3.670 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.994 4.390 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.899 3.030 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.709 4.105 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.247 3.506 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.146 5.154 -1.522 1.00 0.00 H new ATOM 733 N LEU A 51 -10.239 6.642 3.766 1.00 0.00 N ATOM 734 CA LEU A 51 -11.079 7.697 4.390 1.00 0.00 C ATOM 735 C LEU A 51 -10.476 8.149 5.739 1.00 0.00 C ATOM 736 O LEU A 51 -10.557 9.328 6.102 1.00 0.00 O ATOM 737 CB LEU A 51 -12.540 7.194 4.587 1.00 0.00 C ATOM 738 CG LEU A 51 -13.383 6.980 3.289 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.823 6.524 3.627 1.00 0.00 C ATOM 740 CD2 LEU A 51 -13.386 8.248 2.403 1.00 0.00 C ATOM 0 H LEU A 51 -10.660 5.713 3.789 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.099 8.555 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.506 6.250 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.065 7.909 5.221 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.910 6.183 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.386 6.383 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.787 5.584 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.311 7.284 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.981 8.065 1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.815 9.080 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.364 8.493 2.115 1.00 0.00 H new ATOM 752 N PHE A 52 -9.862 7.193 6.464 1.00 0.00 N ATOM 753 CA PHE A 52 -9.146 7.473 7.726 1.00 0.00 C ATOM 754 C PHE A 52 -7.931 8.406 7.472 1.00 0.00 C ATOM 755 O PHE A 52 -7.791 9.452 8.114 1.00 0.00 O ATOM 756 CB PHE A 52 -8.685 6.139 8.374 1.00 0.00 C ATOM 757 CG PHE A 52 -7.944 6.305 9.702 1.00 0.00 C ATOM 758 CD1 PHE A 52 -8.648 6.444 10.900 1.00 0.00 C ATOM 759 CD2 PHE A 52 -6.545 6.327 9.756 1.00 0.00 C ATOM 760 CE1 PHE A 52 -7.982 6.601 12.100 1.00 0.00 C ATOM 761 CE2 PHE A 52 -5.885 6.483 10.958 1.00 0.00 C ATOM 762 CZ PHE A 52 -6.603 6.619 12.128 1.00 0.00 C ATOM 0 H PHE A 52 -9.848 6.210 6.194 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.824 7.983 8.410 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.558 5.507 8.536 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.036 5.614 7.673 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.728 6.429 10.888 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.975 6.220 8.845 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.542 6.710 13.017 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.805 6.499 10.983 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.084 6.740 13.068 1.00 0.00 H new ATOM 772 N SER A 53 -7.077 8.006 6.510 1.00 0.00 N ATOM 773 CA SER A 53 -5.844 8.755 6.151 1.00 0.00 C ATOM 774 C SER A 53 -6.169 10.119 5.493 1.00 0.00 C ATOM 775 O SER A 53 -5.401 11.083 5.628 1.00 0.00 O ATOM 776 CB SER A 53 -4.948 7.906 5.218 1.00 0.00 C ATOM 777 OG SER A 53 -3.714 8.555 4.948 1.00 0.00 O ATOM 0 H SER A 53 -7.216 7.159 5.959 1.00 0.00 H new ATOM 0 HA SER A 53 -5.303 8.957 7.075 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.757 6.937 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.473 7.716 4.282 1.00 0.00 H new ATOM 0 HG SER A 53 -3.109 7.932 4.493 1.00 0.00 H new ATOM 783 N ARG A 54 -7.316 10.189 4.777 1.00 0.00 N ATOM 784 CA ARG A 54 -7.812 11.444 4.162 1.00 0.00 C ATOM 785 C ARG A 54 -8.090 12.527 5.233 1.00 0.00 C ATOM 786 O ARG A 54 -7.486 13.611 5.222 1.00 0.00 O ATOM 787 CB ARG A 54 -9.089 11.175 3.318 1.00 0.00 C ATOM 788 CG ARG A 54 -9.714 12.437 2.674 1.00 0.00 C ATOM 789 CD ARG A 54 -11.034 12.151 1.933 1.00 0.00 C ATOM 790 NE ARG A 54 -11.698 13.391 1.484 1.00 0.00 N ATOM 791 CZ ARG A 54 -12.633 14.041 2.150 1.00 0.00 C ATOM 792 NH1 ARG A 54 -13.006 13.668 3.338 1.00 0.00 N ATOM 793 NH2 ARG A 54 -13.169 15.093 1.629 1.00 0.00 N ATOM 0 H ARG A 54 -7.920 9.384 4.610 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.030 11.819 3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.844 10.464 2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.836 10.700 3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.894 13.181 3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.000 12.872 1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.835 11.514 1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.706 11.598 2.590 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.410 13.777 0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.573 12.855 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.731 14.188 3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.869 15.416 0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.893 15.602 2.137 1.00 0.00 H new ATOM 807 N ASP A 55 -8.974 12.199 6.178 1.00 0.00 N ATOM 808 CA ASP A 55 -9.407 13.138 7.233 1.00 0.00 C ATOM 809 C ASP A 55 -8.430 13.172 8.444 1.00 0.00 C ATOM 810 O ASP A 55 -8.689 13.855 9.444 1.00 0.00 O ATOM 811 CB ASP A 55 -10.852 12.780 7.644 1.00 0.00 C ATOM 812 CG ASP A 55 -11.828 12.947 6.458 1.00 0.00 C ATOM 813 OD1 ASP A 55 -11.925 12.027 5.611 1.00 0.00 O ATOM 814 OD2 ASP A 55 -12.474 14.011 6.345 1.00 0.00 O ATOM 0 H ASP A 55 -9.413 11.280 6.240 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.389 14.153 6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.886 11.752 8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -11.167 13.418 8.470 1.00 0.00 H new ATOM 819 N ARG A 56 -7.296 12.444 8.335 1.00 0.00 N ATOM 820 CA ARG A 56 -6.155 12.590 9.265 1.00 0.00 C ATOM 821 C ARG A 56 -5.435 13.950 9.045 1.00 0.00 C ATOM 822 O ARG A 56 -5.090 14.638 10.016 1.00 0.00 O ATOM 823 CB ARG A 56 -5.173 11.386 9.109 1.00 0.00 C ATOM 824 CG ARG A 56 -3.787 11.580 9.785 1.00 0.00 C ATOM 825 CD ARG A 56 -3.053 10.255 10.074 1.00 0.00 C ATOM 826 NE ARG A 56 -3.705 9.501 11.161 1.00 0.00 N ATOM 827 CZ ARG A 56 -3.124 8.613 11.942 1.00 0.00 C ATOM 828 NH1 ARG A 56 -1.906 8.217 11.746 1.00 0.00 N ATOM 829 NH2 ARG A 56 -3.791 8.107 12.924 1.00 0.00 N ATOM 0 H ARG A 56 -7.147 11.745 7.607 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.532 12.584 10.288 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.643 10.496 9.527 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.019 11.196 8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.162 12.200 9.142 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.921 12.124 10.720 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.030 9.646 9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.018 10.463 10.344 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.695 9.684 11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.366 8.595 10.967 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.487 7.528 12.370 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.756 8.395 13.088 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.354 7.419 13.536 1.00 0.00 H new ATOM 843 N GLY A 57 -5.223 14.334 7.770 1.00 0.00 N ATOM 844 CA GLY A 57 -4.614 15.643 7.450 1.00 0.00 C ATOM 845 C GLY A 57 -4.027 15.747 6.040 1.00 0.00 C ATOM 846 O GLY A 57 -2.984 16.383 5.851 1.00 0.00 O ATOM 0 H GLY A 57 -5.460 13.767 6.956 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.369 16.420 7.573 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.825 15.848 8.174 1.00 0.00 H new ATOM 850 N ASN A 58 -4.711 15.138 5.054 1.00 0.00 N ATOM 851 CA ASN A 58 -4.323 15.196 3.620 1.00 0.00 C ATOM 852 C ASN A 58 -5.409 14.504 2.785 1.00 0.00 C ATOM 853 O ASN A 58 -5.633 13.314 2.961 1.00 0.00 O ATOM 854 CB ASN A 58 -2.937 14.519 3.375 1.00 0.00 C ATOM 855 CG ASN A 58 -2.393 14.665 1.937 1.00 0.00 C ATOM 856 OD1 ASN A 58 -3.126 14.680 0.954 1.00 0.00 O ATOM 857 ND2 ASN A 58 -1.091 14.772 1.804 1.00 0.00 N ATOM 0 H ASN A 58 -5.553 14.588 5.223 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.231 16.240 3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.212 14.945 4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.019 13.458 3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.679 14.869 0.876 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.491 14.758 2.629 1.00 0.00 H new ATOM 864 N ASP A 59 -6.066 15.237 1.879 1.00 0.00 N ATOM 865 CA ASP A 59 -7.106 14.654 1.011 1.00 0.00 C ATOM 866 C ASP A 59 -6.504 13.680 -0.041 1.00 0.00 C ATOM 867 O ASP A 59 -5.854 14.106 -0.999 1.00 0.00 O ATOM 868 CB ASP A 59 -7.938 15.769 0.334 1.00 0.00 C ATOM 869 CG ASP A 59 -8.798 16.538 1.349 1.00 0.00 C ATOM 870 OD1 ASP A 59 -9.885 16.035 1.717 1.00 0.00 O ATOM 871 OD2 ASP A 59 -8.380 17.622 1.806 1.00 0.00 O ATOM 0 H ASP A 59 -5.900 16.232 1.725 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.772 14.066 1.642 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.269 16.463 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.582 15.330 -0.428 1.00 0.00 H new ATOM 876 N LEU A 60 -6.709 12.367 0.193 1.00 0.00 N ATOM 877 CA LEU A 60 -6.403 11.295 -0.784 1.00 0.00 C ATOM 878 C LEU A 60 -7.366 11.397 -2.004 1.00 0.00 C ATOM 879 O LEU A 60 -7.013 11.041 -3.133 1.00 0.00 O ATOM 880 CB LEU A 60 -6.494 9.898 -0.084 1.00 0.00 C ATOM 881 CG LEU A 60 -5.258 9.460 0.797 1.00 0.00 C ATOM 882 CD1 LEU A 60 -4.870 10.498 1.867 1.00 0.00 C ATOM 883 CD2 LEU A 60 -5.507 8.089 1.458 1.00 0.00 C ATOM 0 H LEU A 60 -7.094 12.016 1.070 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.386 11.415 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.381 9.893 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.647 9.142 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.416 9.384 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.014 10.133 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.609 11.439 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.712 10.658 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.641 7.812 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.388 8.148 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.669 7.337 0.686 1.00 0.00 H new ATOM 895 N MET A 61 -8.592 11.891 -1.736 1.00 0.00 N ATOM 896 CA MET A 61 -9.562 12.305 -2.759 1.00 0.00 C ATOM 897 C MET A 61 -9.505 13.862 -2.882 1.00 0.00 C ATOM 898 O MET A 61 -8.427 14.453 -2.777 1.00 0.00 O ATOM 899 CB MET A 61 -10.985 11.813 -2.353 1.00 0.00 C ATOM 900 CG MET A 61 -11.112 10.302 -2.086 1.00 0.00 C ATOM 901 SD MET A 61 -10.240 9.779 -0.588 1.00 0.00 S ATOM 902 CE MET A 61 -10.609 8.024 -0.529 1.00 0.00 C ATOM 0 H MET A 61 -8.938 12.014 -0.784 1.00 0.00 H new ATOM 0 HA MET A 61 -9.324 11.865 -3.727 1.00 0.00 H new ATOM 0 HB2 MET A 61 -11.294 12.350 -1.456 1.00 0.00 H new ATOM 0 HB3 MET A 61 -11.684 12.085 -3.144 1.00 0.00 H new ATOM 0 HG2 MET A 61 -12.166 10.041 -1.997 1.00 0.00 H new ATOM 0 HG3 MET A 61 -10.718 9.752 -2.941 1.00 0.00 H new ATOM 0 HE1 MET A 61 -10.697 7.705 0.510 1.00 0.00 H new ATOM 0 HE2 MET A 61 -11.548 7.832 -1.048 1.00 0.00 H new ATOM 0 HE3 MET A 61 -9.807 7.467 -1.013 1.00 0.00 H new ATOM 912 N THR A 62 -10.649 14.516 -3.140 1.00 0.00 N ATOM 913 CA THR A 62 -10.782 15.999 -3.049 1.00 0.00 C ATOM 914 C THR A 62 -11.370 16.412 -1.665 1.00 0.00 C ATOM 915 O THR A 62 -11.888 15.546 -0.939 1.00 0.00 O ATOM 916 CB THR A 62 -11.690 16.551 -4.205 1.00 0.00 C ATOM 917 OG1 THR A 62 -13.019 16.007 -4.099 1.00 0.00 O ATOM 918 CG2 THR A 62 -11.105 16.214 -5.590 1.00 0.00 C ATOM 0 H THR A 62 -11.510 14.044 -3.417 1.00 0.00 H new ATOM 0 HA THR A 62 -9.787 16.433 -3.153 1.00 0.00 H new ATOM 0 HB THR A 62 -11.730 17.635 -4.103 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.014 15.072 -4.393 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.758 16.611 -6.367 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.115 16.660 -5.685 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.027 15.132 -5.699 1.00 0.00 H new ATOM 926 N PRO A 63 -11.295 17.737 -1.251 1.00 0.00 N ATOM 927 CA PRO A 63 -11.949 18.245 0.006 1.00 0.00 C ATOM 928 C PRO A 63 -13.507 18.351 -0.079 1.00 0.00 C ATOM 929 O PRO A 63 -14.109 19.249 0.519 1.00 0.00 O ATOM 930 CB PRO A 63 -11.288 19.651 0.215 1.00 0.00 C ATOM 931 CG PRO A 63 -10.109 19.677 -0.714 1.00 0.00 C ATOM 932 CD PRO A 63 -10.501 18.818 -1.892 1.00 0.00 C ATOM 0 HA PRO A 63 -11.795 17.556 0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.989 20.453 -0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.976 19.789 1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.881 20.695 -1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -9.216 19.288 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -11.088 19.374 -2.622 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.630 18.425 -2.416 1.00 0.00 H new ATOM 940 N ARG A 64 -14.150 17.419 -0.809 1.00 0.00 N ATOM 941 CA ARG A 64 -15.621 17.375 -0.996 1.00 0.00 C ATOM 942 C ARG A 64 -16.197 16.070 -0.371 1.00 0.00 C ATOM 943 O ARG A 64 -15.523 15.035 -0.403 1.00 0.00 O ATOM 944 CB ARG A 64 -15.938 17.433 -2.523 1.00 0.00 C ATOM 945 CG ARG A 64 -15.377 18.693 -3.226 1.00 0.00 C ATOM 946 CD ARG A 64 -15.584 18.696 -4.755 1.00 0.00 C ATOM 947 NE ARG A 64 -17.010 18.758 -5.146 1.00 0.00 N ATOM 948 CZ ARG A 64 -17.636 19.826 -5.623 1.00 0.00 C ATOM 949 NH1 ARG A 64 -17.053 20.988 -5.703 1.00 0.00 N ATOM 950 NH2 ARG A 64 -18.870 19.727 -5.990 1.00 0.00 N ATOM 0 H ARG A 64 -13.661 16.666 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 64 -16.083 18.227 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.527 16.546 -3.005 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -17.019 17.400 -2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.854 19.577 -2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.311 18.773 -3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.058 19.548 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -15.136 17.797 -5.178 1.00 0.00 H new ATOM 0 HE ARG A 64 -17.559 17.905 -5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -16.087 21.096 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -17.562 21.790 -6.075 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -19.355 18.833 -5.912 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -19.360 20.543 -6.358 1.00 0.00 H new ATOM 964 N PRO A 65 -17.449 16.088 0.214 1.00 0.00 N ATOM 965 CA PRO A 65 -18.105 14.854 0.757 1.00 0.00 C ATOM 966 C PRO A 65 -18.580 13.865 -0.348 1.00 0.00 C ATOM 967 O PRO A 65 -19.041 12.757 -0.049 1.00 0.00 O ATOM 968 CB PRO A 65 -19.299 15.421 1.565 1.00 0.00 C ATOM 969 CG PRO A 65 -19.630 16.713 0.876 1.00 0.00 C ATOM 970 CD PRO A 65 -18.301 17.293 0.428 1.00 0.00 C ATOM 0 HA PRO A 65 -17.415 14.255 1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -20.147 14.736 1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -19.032 15.584 2.609 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -20.290 16.545 0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -20.147 17.395 1.551 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -18.406 17.878 -0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -17.877 17.955 1.183 1.00 0.00 H new ATOM 978 N GLU A 66 -18.480 14.297 -1.616 1.00 0.00 N ATOM 979 CA GLU A 66 -18.787 13.469 -2.797 1.00 0.00 C ATOM 980 C GLU A 66 -17.601 12.533 -3.142 1.00 0.00 C ATOM 981 O GLU A 66 -16.479 12.719 -2.651 1.00 0.00 O ATOM 982 CB GLU A 66 -19.117 14.399 -3.992 1.00 0.00 C ATOM 983 CG GLU A 66 -20.242 15.419 -3.702 1.00 0.00 C ATOM 984 CD GLU A 66 -20.484 16.413 -4.850 1.00 0.00 C ATOM 985 OE1 GLU A 66 -19.503 17.008 -5.342 1.00 0.00 O ATOM 986 OE2 GLU A 66 -21.647 16.615 -5.250 1.00 0.00 O ATOM 0 H GLU A 66 -18.180 15.242 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 66 -19.648 12.838 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.215 14.940 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -19.407 13.787 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -21.167 14.879 -3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -19.993 15.975 -2.798 1.00 0.00 H new ATOM 993 N PHE A 67 -17.845 11.560 -4.036 1.00 0.00 N ATOM 994 CA PHE A 67 -16.859 10.501 -4.386 1.00 0.00 C ATOM 995 C PHE A 67 -15.903 10.957 -5.532 1.00 0.00 C ATOM 996 O PHE A 67 -15.481 10.154 -6.376 1.00 0.00 O ATOM 997 CB PHE A 67 -17.631 9.205 -4.763 1.00 0.00 C ATOM 998 CG PHE A 67 -18.606 8.743 -3.673 1.00 0.00 C ATOM 999 CD1 PHE A 67 -18.169 7.965 -2.599 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -19.958 9.109 -3.708 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -19.046 7.565 -1.604 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -20.831 8.706 -2.714 1.00 0.00 C ATOM 1003 CZ PHE A 67 -20.375 7.935 -1.661 1.00 0.00 C ATOM 0 H PHE A 67 -18.728 11.478 -4.541 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.223 10.303 -3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -18.183 9.375 -5.687 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -16.915 8.408 -4.962 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -17.131 7.671 -2.543 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -20.324 9.715 -4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -18.689 6.962 -0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -21.871 8.994 -2.760 1.00 0.00 H new ATOM 0 HZ PHE A 67 -21.057 7.623 -0.884 1.00 0.00 H new ATOM 1013 N ASN A 68 -15.534 12.254 -5.505 1.00 0.00 N ATOM 1014 CA ASN A 68 -14.653 12.882 -6.503 1.00 0.00 C ATOM 1015 C ASN A 68 -13.165 12.649 -6.131 1.00 0.00 C ATOM 1016 O ASN A 68 -12.670 13.157 -5.116 1.00 0.00 O ATOM 1017 CB ASN A 68 -14.973 14.404 -6.596 1.00 0.00 C ATOM 1018 CG ASN A 68 -14.160 15.133 -7.668 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -13.876 16.400 -7.448 1.00 0.00 O flip ATOM 1020 ND2 ASN A 68 -13.792 14.561 -8.690 1.00 0.00 N flip ATOM 0 H ASN A 68 -15.845 12.900 -4.779 1.00 0.00 H new ATOM 0 HA ASN A 68 -14.829 12.428 -7.478 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -16.035 14.532 -6.807 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.782 14.867 -5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.025 13.579 -8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.253 15.068 -9.392 1.00 0.00 H new ATOM 1027 N PHE A 69 -12.483 11.847 -6.956 1.00 0.00 N ATOM 1028 CA PHE A 69 -11.035 11.542 -6.817 1.00 0.00 C ATOM 1029 C PHE A 69 -10.253 12.011 -8.078 1.00 0.00 C ATOM 1030 O PHE A 69 -10.787 11.940 -9.191 1.00 0.00 O ATOM 1031 CB PHE A 69 -10.829 10.012 -6.583 1.00 0.00 C ATOM 1032 CG PHE A 69 -11.249 9.107 -7.755 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -12.594 8.808 -7.989 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -10.295 8.557 -8.622 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -12.971 7.995 -9.045 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -10.676 7.743 -9.676 1.00 0.00 C ATOM 1037 CZ PHE A 69 -12.014 7.465 -9.887 1.00 0.00 C ATOM 0 H PHE A 69 -12.917 11.380 -7.752 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.646 12.083 -5.954 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.776 9.833 -6.366 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.392 9.717 -5.697 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -13.351 9.217 -7.336 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.248 8.771 -8.466 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.015 7.775 -9.210 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.928 7.325 -10.333 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.310 6.833 -10.711 1.00 0.00 H new ATOM 1047 N PRO A 70 -8.983 12.516 -7.933 1.00 0.00 N ATOM 1048 CA PRO A 70 -8.122 12.848 -9.105 1.00 0.00 C ATOM 1049 C PRO A 70 -7.642 11.582 -9.879 1.00 0.00 C ATOM 1050 O PRO A 70 -7.701 11.530 -11.113 1.00 0.00 O ATOM 1051 CB PRO A 70 -6.928 13.613 -8.467 1.00 0.00 C ATOM 1052 CG PRO A 70 -6.873 13.119 -7.049 1.00 0.00 C ATOM 1053 CD PRO A 70 -8.314 12.860 -6.644 1.00 0.00 C ATOM 0 HA PRO A 70 -8.657 13.430 -9.856 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.997 13.406 -8.995 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.083 14.691 -8.505 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -6.277 12.210 -6.975 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.410 13.858 -6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.388 12.045 -5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.764 13.738 -6.180 1.00 0.00 H new ATOM 1061 N GLY A 71 -7.177 10.568 -9.135 1.00 0.00 N ATOM 1062 CA GLY A 71 -6.659 9.328 -9.725 1.00 0.00 C ATOM 1063 C GLY A 71 -6.292 8.303 -8.651 1.00 0.00 C ATOM 1064 O GLY A 71 -5.807 8.689 -7.577 1.00 0.00 O ATOM 0 H GLY A 71 -7.150 10.585 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.407 8.903 -10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.781 9.552 -10.330 1.00 0.00 H new ATOM 1068 N LEU A 72 -6.496 7.006 -8.965 1.00 0.00 N ATOM 1069 CA LEU A 72 -6.298 5.867 -8.030 1.00 0.00 C ATOM 1070 C LEU A 72 -7.120 6.028 -6.720 1.00 0.00 C ATOM 1071 O LEU A 72 -6.672 6.653 -5.755 1.00 0.00 O ATOM 1072 CB LEU A 72 -4.784 5.589 -7.727 1.00 0.00 C ATOM 1073 CG LEU A 72 -3.894 5.083 -8.922 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -4.552 3.906 -9.673 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -3.498 6.228 -9.887 1.00 0.00 C ATOM 0 H LEU A 72 -6.808 6.711 -9.890 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.683 4.988 -8.547 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.342 6.508 -7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.729 4.850 -6.928 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.970 4.709 -8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.904 3.588 -10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.703 3.074 -8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.514 4.223 -10.075 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.885 5.828 -10.694 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.398 6.679 -10.305 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.932 6.984 -9.342 1.00 0.00 H new ATOM 1087 N LYS A 73 -8.336 5.468 -6.716 1.00 0.00 N ATOM 1088 CA LYS A 73 -9.242 5.465 -5.551 1.00 0.00 C ATOM 1089 C LYS A 73 -9.113 4.131 -4.764 1.00 0.00 C ATOM 1090 O LYS A 73 -8.148 3.369 -4.957 1.00 0.00 O ATOM 1091 CB LYS A 73 -10.708 5.749 -6.040 1.00 0.00 C ATOM 1092 CG LYS A 73 -11.252 4.805 -7.159 1.00 0.00 C ATOM 1093 CD LYS A 73 -11.990 3.548 -6.624 1.00 0.00 C ATOM 1094 CE LYS A 73 -12.133 2.440 -7.682 1.00 0.00 C ATOM 1095 NZ LYS A 73 -12.796 2.914 -8.925 1.00 0.00 N ATOM 0 H LYS A 73 -8.728 4.997 -7.531 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.965 6.257 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.375 5.683 -5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.756 6.776 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.933 5.369 -7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.420 4.485 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.449 3.154 -5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.980 3.837 -6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.146 2.049 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.707 1.614 -7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.912 2.116 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.729 3.309 -8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.211 3.649 -9.372 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.075 3.874 -3.864 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.117 2.652 -3.042 1.00 0.00 C ATOM 1111 C ALA A 74 -10.471 1.387 -3.868 1.00 0.00 C ATOM 1112 O ALA A 74 -11.601 1.239 -4.343 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.123 2.851 -1.908 1.00 0.00 C ATOM 0 H ALA A 74 -10.851 4.511 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.119 2.484 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.161 1.951 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.816 3.697 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.110 3.046 -2.327 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.488 0.484 -4.030 1.00 0.00 N ATOM 1120 CA GLY A 75 -9.704 -0.807 -4.708 1.00 0.00 C ATOM 1121 C GLY A 75 -9.044 -0.932 -6.080 1.00 0.00 C ATOM 1122 O GLY A 75 -9.153 -1.986 -6.724 1.00 0.00 O ATOM 0 H GLY A 75 -8.533 0.625 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.329 -1.605 -4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.776 -0.966 -4.821 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.362 0.134 -6.543 1.00 0.00 N ATOM 1127 CA ASP A 76 -7.575 0.072 -7.793 1.00 0.00 C ATOM 1128 C ASP A 76 -6.262 -0.715 -7.582 1.00 0.00 C ATOM 1129 O ASP A 76 -5.251 -0.163 -7.118 1.00 0.00 O ATOM 1130 CB ASP A 76 -7.283 1.492 -8.357 1.00 0.00 C ATOM 1131 CG ASP A 76 -8.524 2.190 -8.936 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -9.357 1.519 -9.579 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -8.651 3.412 -8.797 1.00 0.00 O ATOM 0 H ASP A 76 -8.339 1.041 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.177 -0.459 -8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.866 2.111 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.523 1.416 -9.135 1.00 0.00 H new ATOM 1138 N ARG A 77 -6.309 -2.023 -7.883 1.00 0.00 N ATOM 1139 CA ARG A 77 -5.110 -2.877 -7.878 1.00 0.00 C ATOM 1140 C ARG A 77 -4.412 -2.761 -9.257 1.00 0.00 C ATOM 1141 O ARG A 77 -4.616 -3.599 -10.144 1.00 0.00 O ATOM 1142 CB ARG A 77 -5.543 -4.342 -7.588 1.00 0.00 C ATOM 1143 CG ARG A 77 -4.395 -5.333 -7.292 1.00 0.00 C ATOM 1144 CD ARG A 77 -4.909 -6.787 -7.176 1.00 0.00 C ATOM 1145 NE ARG A 77 -6.060 -6.907 -6.253 1.00 0.00 N ATOM 1146 CZ ARG A 77 -6.830 -7.971 -6.118 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -6.641 -9.044 -6.821 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -7.828 -7.930 -5.301 1.00 0.00 N ATOM 0 H ARG A 77 -7.168 -2.513 -8.134 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.408 -2.563 -7.106 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.224 -4.339 -6.737 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.106 -4.712 -8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.649 -5.273 -8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.898 -5.048 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.199 -7.147 -8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.100 -7.429 -6.828 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.277 -6.098 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.881 -9.081 -7.500 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.252 -9.851 -6.695 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.016 -7.081 -4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.429 -8.746 -5.189 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.567 -1.717 -9.384 1.00 0.00 N ATOM 1163 CA TRP A 78 -2.922 -1.279 -10.659 1.00 0.00 C ATOM 1164 C TRP A 78 -2.393 0.158 -10.473 1.00 0.00 C ATOM 1165 O TRP A 78 -3.159 1.028 -10.054 1.00 0.00 O ATOM 1166 CB TRP A 78 -3.921 -1.286 -11.869 1.00 0.00 C ATOM 1167 CG TRP A 78 -3.358 -0.729 -13.164 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -2.518 -1.358 -14.039 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -3.600 0.583 -13.716 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -2.215 -0.520 -15.083 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -2.871 0.672 -14.913 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -4.366 1.683 -13.309 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -2.874 1.818 -15.705 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -4.371 2.825 -14.096 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -3.631 2.882 -15.286 1.00 0.00 C ATOM 0 H TRP A 78 -3.302 -1.135 -8.589 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.119 -1.981 -10.883 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.251 -2.310 -12.044 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.804 -0.709 -11.596 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -2.147 -2.366 -13.926 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -1.599 -0.748 -15.863 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -4.943 1.642 -12.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -2.300 1.867 -16.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -4.952 3.682 -13.788 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -3.658 3.781 -15.884 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.090 0.392 -10.788 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.448 1.753 -10.774 1.00 0.00 C ATOM 1188 C CYS A 79 -0.664 2.507 -9.428 1.00 0.00 C ATOM 1189 O CYS A 79 -0.643 3.742 -9.373 1.00 0.00 O ATOM 1190 CB CYS A 79 -0.959 2.594 -11.978 1.00 0.00 C ATOM 1191 SG CYS A 79 -0.238 4.249 -12.130 1.00 0.00 S ATOM 0 H CYS A 79 -0.448 -0.352 -11.060 1.00 0.00 H new ATOM 0 HA CYS A 79 0.628 1.608 -10.871 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.758 2.042 -12.896 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.041 2.694 -11.897 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.018 4.737 -10.945 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.837 1.721 -8.347 1.00 0.00 N ATOM 1198 CA LEU A 80 -1.134 2.239 -7.001 1.00 0.00 C ATOM 1199 C LEU A 80 0.069 3.047 -6.462 1.00 0.00 C ATOM 1200 O LEU A 80 1.214 2.581 -6.525 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.516 1.042 -6.052 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.925 1.353 -4.555 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.710 1.470 -3.601 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.835 2.597 -4.473 1.00 0.00 C ATOM 0 H LEU A 80 -0.774 0.704 -8.386 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.985 2.919 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.344 0.506 -6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.668 0.358 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.495 0.492 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.060 1.684 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.155 0.532 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.059 2.277 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.100 2.786 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.307 3.461 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.742 2.423 -5.052 1.00 0.00 H new ATOM 1216 N CYS A 81 -0.215 4.271 -5.963 1.00 0.00 N ATOM 1217 CA CYS A 81 0.794 5.135 -5.325 1.00 0.00 C ATOM 1218 C CYS A 81 1.461 4.418 -4.137 1.00 0.00 C ATOM 1219 O CYS A 81 0.848 4.252 -3.071 1.00 0.00 O ATOM 1220 CB CYS A 81 0.167 6.455 -4.847 1.00 0.00 C ATOM 1221 SG CYS A 81 1.314 7.509 -3.923 1.00 0.00 S ATOM 0 H CYS A 81 -1.148 4.683 -5.993 1.00 0.00 H new ATOM 0 HA CYS A 81 1.554 5.358 -6.074 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -0.203 7.006 -5.712 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -0.695 6.232 -4.218 1.00 0.00 H new ATOM 0 HG CYS A 81 0.705 8.599 -3.561 1.00 0.00 H new ATOM 1227 N ALA A 82 2.704 3.968 -4.370 1.00 0.00 N ATOM 1228 CA ALA A 82 3.536 3.249 -3.383 1.00 0.00 C ATOM 1229 C ALA A 82 3.644 3.993 -2.031 1.00 0.00 C ATOM 1230 O ALA A 82 3.673 3.369 -0.970 1.00 0.00 O ATOM 1231 CB ALA A 82 4.929 3.052 -3.979 1.00 0.00 C ATOM 0 H ALA A 82 3.172 4.095 -5.268 1.00 0.00 H new ATOM 0 HA ALA A 82 3.058 2.292 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.559 2.522 -3.264 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.853 2.470 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.370 4.024 -4.201 1.00 0.00 H new ATOM 1237 N SER A 83 3.685 5.331 -2.115 1.00 0.00 N ATOM 1238 CA SER A 83 3.753 6.230 -0.948 1.00 0.00 C ATOM 1239 C SER A 83 2.489 6.132 -0.056 1.00 0.00 C ATOM 1240 O SER A 83 2.586 6.297 1.153 1.00 0.00 O ATOM 1241 CB SER A 83 3.942 7.688 -1.426 1.00 0.00 C ATOM 1242 OG SER A 83 5.037 7.797 -2.330 1.00 0.00 O ATOM 0 H SER A 83 3.672 5.828 -3.006 1.00 0.00 H new ATOM 0 HA SER A 83 4.605 5.919 -0.343 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.030 8.035 -1.912 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.111 8.336 -0.566 1.00 0.00 H new ATOM 0 HG SER A 83 5.132 8.729 -2.617 1.00 0.00 H new ATOM 1248 N ARG A 84 1.308 5.873 -0.673 1.00 0.00 N ATOM 1249 CA ARG A 84 0.013 5.749 0.058 1.00 0.00 C ATOM 1250 C ARG A 84 -0.064 4.442 0.887 1.00 0.00 C ATOM 1251 O ARG A 84 -0.450 4.466 2.067 1.00 0.00 O ATOM 1252 CB ARG A 84 -1.197 5.832 -0.918 1.00 0.00 C ATOM 1253 CG ARG A 84 -2.575 5.687 -0.212 1.00 0.00 C ATOM 1254 CD ARG A 84 -3.760 6.171 -1.061 1.00 0.00 C ATOM 1255 NE ARG A 84 -4.069 5.308 -2.214 1.00 0.00 N ATOM 1256 CZ ARG A 84 -4.800 5.687 -3.246 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -5.102 6.944 -3.431 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -5.194 4.814 -4.112 1.00 0.00 N ATOM 0 H ARG A 84 1.222 5.745 -1.681 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.036 6.590 0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.165 6.787 -1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.100 5.051 -1.672 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.731 4.640 0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.555 6.249 0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.643 6.240 -0.426 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.547 7.177 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.695 4.359 -2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.772 7.650 -2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.668 7.220 -4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.940 3.833 -3.998 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.759 5.106 -4.910 1.00 0.00 H new ATOM 1272 N TRP A 85 0.295 3.306 0.252 1.00 0.00 N ATOM 1273 CA TRP A 85 0.386 1.990 0.934 1.00 0.00 C ATOM 1274 C TRP A 85 1.414 2.065 2.097 1.00 0.00 C ATOM 1275 O TRP A 85 1.130 1.658 3.237 1.00 0.00 O ATOM 1276 CB TRP A 85 0.721 0.866 -0.113 1.00 0.00 C ATOM 1277 CG TRP A 85 1.474 -0.317 0.452 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.737 -0.691 0.127 1.00 0.00 C ATOM 1279 CD2 TRP A 85 1.035 -1.233 1.475 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.131 -1.744 0.907 1.00 0.00 N ATOM 1281 CE2 TRP A 85 2.106 -2.101 1.730 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.143 -1.392 2.204 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 2.040 -3.109 2.682 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.211 -2.401 3.139 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.877 -3.243 3.379 1.00 0.00 C ATOM 0 H TRP A 85 0.529 3.271 -0.740 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.575 1.731 1.379 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.210 0.510 -0.555 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.310 1.303 -0.920 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.343 -0.225 -0.636 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.047 -2.191 0.877 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.986 -0.737 2.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.880 -3.763 2.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.124 -2.544 3.698 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.795 -4.014 4.131 1.00 0.00 H new ATOM 1296 N GLN A 86 2.584 2.628 1.781 1.00 0.00 N ATOM 1297 CA GLN A 86 3.684 2.843 2.740 1.00 0.00 C ATOM 1298 C GLN A 86 3.256 3.762 3.917 1.00 0.00 C ATOM 1299 O GLN A 86 3.601 3.504 5.071 1.00 0.00 O ATOM 1300 CB GLN A 86 4.902 3.433 1.974 1.00 0.00 C ATOM 1301 CG GLN A 86 6.179 3.672 2.805 1.00 0.00 C ATOM 1302 CD GLN A 86 6.655 2.442 3.572 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.405 1.628 3.058 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.237 2.313 4.818 1.00 0.00 N ATOM 0 H GLN A 86 2.802 2.954 0.839 1.00 0.00 H new ATOM 0 HA GLN A 86 3.960 1.887 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.149 2.760 1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.600 4.381 1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.976 4.005 2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.995 4.481 3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.610 3.010 5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.541 1.517 5.378 1.00 0.00 H new ATOM 1313 N GLU A 87 2.462 4.802 3.610 1.00 0.00 N ATOM 1314 CA GLU A 87 1.972 5.773 4.618 1.00 0.00 C ATOM 1315 C GLU A 87 1.025 5.103 5.638 1.00 0.00 C ATOM 1316 O GLU A 87 1.142 5.340 6.847 1.00 0.00 O ATOM 1317 CB GLU A 87 1.257 6.962 3.922 1.00 0.00 C ATOM 1318 CG GLU A 87 0.727 8.038 4.883 1.00 0.00 C ATOM 1319 CD GLU A 87 0.100 9.243 4.164 1.00 0.00 C ATOM 1320 OE1 GLU A 87 -1.073 9.151 3.735 1.00 0.00 O ATOM 1321 OE2 GLU A 87 0.783 10.283 4.017 1.00 0.00 O ATOM 0 H GLU A 87 2.140 4.998 2.662 1.00 0.00 H new ATOM 0 HA GLU A 87 2.838 6.149 5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.951 7.428 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.424 6.575 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.016 7.591 5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.545 8.386 5.514 1.00 0.00 H new ATOM 1328 N ALA A 88 0.107 4.249 5.143 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.866 3.545 6.010 1.00 0.00 C ATOM 1330 C ALA A 88 -0.184 2.425 6.833 1.00 0.00 C ATOM 1331 O ALA A 88 -0.676 2.058 7.901 1.00 0.00 O ATOM 1332 CB ALA A 88 -2.046 2.995 5.193 1.00 0.00 C ATOM 0 H ALA A 88 0.017 4.029 4.151 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.263 4.275 6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.742 2.484 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.558 3.818 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.676 2.293 4.446 1.00 0.00 H new ATOM 1338 N PHE A 89 0.955 1.890 6.333 1.00 0.00 N ATOM 1339 CA PHE A 89 1.802 0.957 7.112 1.00 0.00 C ATOM 1340 C PHE A 89 2.445 1.691 8.316 1.00 0.00 C ATOM 1341 O PHE A 89 2.408 1.202 9.452 1.00 0.00 O ATOM 1342 CB PHE A 89 2.908 0.305 6.229 1.00 0.00 C ATOM 1343 CG PHE A 89 3.678 -0.822 6.941 1.00 0.00 C ATOM 1344 CD1 PHE A 89 4.813 -0.555 7.718 1.00 0.00 C ATOM 1345 CD2 PHE A 89 3.241 -2.144 6.864 1.00 0.00 C ATOM 1346 CE1 PHE A 89 5.472 -1.569 8.391 1.00 0.00 C ATOM 1347 CE2 PHE A 89 3.908 -3.154 7.530 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.020 -2.868 8.295 1.00 0.00 C ATOM 0 H PHE A 89 1.307 2.088 5.397 1.00 0.00 H new ATOM 0 HA PHE A 89 1.158 0.159 7.480 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.451 -0.094 5.324 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.613 1.075 5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.179 0.458 7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.368 -2.382 6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.341 -1.343 8.992 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.557 -4.172 7.451 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.535 -3.660 8.818 1.00 0.00 H new ATOM 1358 N GLU A 90 3.038 2.869 8.038 1.00 0.00 N ATOM 1359 CA GLU A 90 3.668 3.740 9.064 1.00 0.00 C ATOM 1360 C GLU A 90 2.631 4.304 10.066 1.00 0.00 C ATOM 1361 O GLU A 90 2.963 4.586 11.216 1.00 0.00 O ATOM 1362 CB GLU A 90 4.437 4.896 8.368 1.00 0.00 C ATOM 1363 CG GLU A 90 5.633 4.432 7.513 1.00 0.00 C ATOM 1364 CD GLU A 90 6.282 5.581 6.723 1.00 0.00 C ATOM 1365 OE1 GLU A 90 7.103 6.328 7.299 1.00 0.00 O ATOM 1366 OE2 GLU A 90 5.968 5.749 5.525 1.00 0.00 O ATOM 0 H GLU A 90 3.096 3.249 7.093 1.00 0.00 H new ATOM 0 HA GLU A 90 4.366 3.130 9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.744 5.449 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.795 5.589 9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.381 3.974 8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.300 3.662 6.817 1.00 0.00 H new ATOM 1373 N ALA A 91 1.365 4.441 9.618 1.00 0.00 N ATOM 1374 CA ALA A 91 0.227 4.846 10.490 1.00 0.00 C ATOM 1375 C ALA A 91 -0.225 3.704 11.447 1.00 0.00 C ATOM 1376 O ALA A 91 -1.133 3.898 12.266 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.949 5.318 9.615 1.00 0.00 C ATOM 0 H ALA A 91 1.097 4.276 8.648 1.00 0.00 H new ATOM 0 HA ALA A 91 0.567 5.666 11.122 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.781 5.614 10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.634 6.169 9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.265 4.505 8.961 1.00 0.00 H new ATOM 1383 N GLY A 92 0.422 2.519 11.328 1.00 0.00 N ATOM 1384 CA GLY A 92 0.118 1.357 12.176 1.00 0.00 C ATOM 1385 C GLY A 92 -1.131 0.589 11.736 1.00 0.00 C ATOM 1386 O GLY A 92 -1.737 -0.134 12.531 1.00 0.00 O ATOM 0 H GLY A 92 1.161 2.350 10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.972 0.680 12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.015 1.693 13.204 1.00 0.00 H new ATOM 1390 N MET A 93 -1.498 0.731 10.448 1.00 0.00 N ATOM 1391 CA MET A 93 -2.735 0.148 9.880 1.00 0.00 C ATOM 1392 C MET A 93 -2.404 -0.944 8.810 1.00 0.00 C ATOM 1393 O MET A 93 -2.348 -2.126 9.145 1.00 0.00 O ATOM 1394 CB MET A 93 -3.608 1.274 9.272 1.00 0.00 C ATOM 1395 CG MET A 93 -3.879 2.468 10.190 1.00 0.00 C ATOM 1396 SD MET A 93 -4.866 3.719 9.359 1.00 0.00 S ATOM 1397 CE MET A 93 -6.410 2.840 9.084 1.00 0.00 C ATOM 0 H MET A 93 -0.946 1.254 9.768 1.00 0.00 H new ATOM 0 HA MET A 93 -3.293 -0.340 10.680 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.122 1.637 8.367 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.564 0.846 8.971 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.397 2.130 11.087 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.933 2.903 10.513 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.248 3.517 9.249 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.439 2.468 8.060 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.480 2.001 9.777 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.193 -0.511 7.528 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.775 -1.377 6.386 1.00 0.00 C ATOM 1409 C ALA A 94 -2.814 -2.488 5.987 1.00 0.00 C ATOM 1410 O ALA A 94 -3.002 -3.460 6.730 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.395 -1.991 6.663 1.00 0.00 C ATOM 0 H ALA A 94 -2.312 0.466 7.259 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.722 -0.718 5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.101 -2.620 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.338 -1.195 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.441 -2.594 7.570 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.517 -2.347 4.801 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.417 -3.414 4.241 1.00 0.00 C ATOM 1419 C PRO A 95 -3.654 -4.700 3.763 1.00 0.00 C ATOM 1420 O PRO A 95 -2.422 -4.690 3.666 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.114 -2.701 3.030 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.881 -1.238 3.247 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.538 -1.138 3.942 1.00 0.00 C ATOM 0 HA PRO A 95 -5.106 -3.785 4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.689 -3.031 2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.179 -2.929 2.999 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.874 -0.698 2.300 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.672 -0.801 3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.714 -1.135 3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.455 -0.224 4.530 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.380 -5.842 3.472 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.763 -7.040 2.828 1.00 0.00 C ATOM 1433 C PRO A 96 -3.296 -6.743 1.369 1.00 0.00 C ATOM 1434 O PRO A 96 -4.113 -6.621 0.445 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.899 -8.104 2.873 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.167 -7.302 2.963 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.820 -6.079 3.792 1.00 0.00 C ATOM 0 HA PRO A 96 -2.858 -7.372 3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.890 -8.732 1.982 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.787 -8.767 3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.521 -7.016 1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.964 -7.880 3.432 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.438 -5.222 3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.971 -6.259 4.856 1.00 0.00 H new ATOM 1445 N VAL A 97 -1.973 -6.611 1.178 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.367 -6.247 -0.116 1.00 0.00 C ATOM 1447 C VAL A 97 -0.932 -7.513 -0.900 1.00 0.00 C ATOM 1448 O VAL A 97 -0.477 -8.508 -0.326 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.154 -5.259 0.093 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.975 -5.894 0.931 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.398 -4.716 -1.247 1.00 0.00 C ATOM 0 H VAL A 97 -1.289 -6.754 1.921 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.120 -5.731 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.549 -4.412 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.788 -5.177 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.589 -6.169 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.347 -6.785 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.231 -4.041 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.742 -5.547 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.390 -4.177 -1.773 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.114 -7.455 -2.223 1.00 0.00 N ATOM 1462 CA VAL A 98 -0.797 -8.567 -3.141 1.00 0.00 C ATOM 1463 C VAL A 98 0.727 -8.730 -3.386 1.00 0.00 C ATOM 1464 O VAL A 98 1.290 -8.096 -4.253 1.00 0.00 O ATOM 1465 CB VAL A 98 -1.565 -8.406 -4.516 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -3.052 -8.766 -4.369 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -1.422 -6.970 -5.085 1.00 0.00 C ATOM 0 H VAL A 98 -1.488 -6.632 -2.696 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.140 -9.478 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.106 -9.100 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.552 -8.645 -5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.145 -9.801 -4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.515 -8.108 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.962 -6.897 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.835 -6.254 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.368 -6.748 -5.252 1.00 0.00 H new ATOM 1477 N LEU A 99 1.375 -9.614 -2.611 1.00 0.00 N ATOM 1478 CA LEU A 99 2.808 -10.001 -2.815 1.00 0.00 C ATOM 1479 C LEU A 99 3.061 -10.605 -4.219 1.00 0.00 C ATOM 1480 O LEU A 99 4.171 -10.521 -4.754 1.00 0.00 O ATOM 1481 CB LEU A 99 3.251 -11.002 -1.694 1.00 0.00 C ATOM 1482 CG LEU A 99 3.766 -10.361 -0.364 1.00 0.00 C ATOM 1483 CD1 LEU A 99 5.194 -9.799 -0.541 1.00 0.00 C ATOM 1484 CD2 LEU A 99 2.801 -9.271 0.135 1.00 0.00 C ATOM 0 H LEU A 99 0.934 -10.088 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 99 3.409 -9.094 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.406 -11.649 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.039 -11.640 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 99 3.804 -11.144 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.530 -9.358 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.870 -10.605 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.191 -9.036 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.184 -8.842 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.715 -8.488 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.820 -9.709 0.316 1.00 0.00 H new ATOM 1496 N GLN A 100 2.013 -11.213 -4.789 1.00 0.00 N ATOM 1497 CA GLN A 100 2.040 -11.791 -6.141 1.00 0.00 C ATOM 1498 C GLN A 100 2.123 -10.697 -7.243 1.00 0.00 C ATOM 1499 O GLN A 100 2.938 -10.801 -8.164 1.00 0.00 O ATOM 1500 CB GLN A 100 0.777 -12.670 -6.343 1.00 0.00 C ATOM 1501 CG GLN A 100 0.707 -13.387 -7.707 1.00 0.00 C ATOM 1502 CD GLN A 100 -0.496 -14.325 -7.877 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -0.391 -15.369 -8.511 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -1.656 -13.941 -7.372 1.00 0.00 N ATOM 0 H GLN A 100 1.113 -11.319 -4.321 1.00 0.00 H new ATOM 0 HA GLN A 100 2.938 -12.402 -6.234 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.740 -13.418 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.108 -12.043 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.679 -12.636 -8.496 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.622 -13.963 -7.847 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.720 -13.068 -6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.487 -14.517 -7.507 1.00 0.00 H new ATOM 1513 N SER A 101 1.277 -9.650 -7.129 1.00 0.00 N ATOM 1514 CA SER A 101 1.109 -8.632 -8.206 1.00 0.00 C ATOM 1515 C SER A 101 2.038 -7.405 -8.020 1.00 0.00 C ATOM 1516 O SER A 101 2.406 -6.769 -9.009 1.00 0.00 O ATOM 1517 CB SER A 101 -0.370 -8.194 -8.319 1.00 0.00 C ATOM 1518 OG SER A 101 -0.593 -7.292 -9.397 1.00 0.00 O ATOM 0 H SER A 101 0.698 -9.482 -6.306 1.00 0.00 H new ATOM 0 HA SER A 101 1.406 -9.108 -9.140 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.997 -9.076 -8.452 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.678 -7.722 -7.386 1.00 0.00 H new ATOM 0 HG SER A 101 -1.541 -7.046 -9.427 1.00 0.00 H new ATOM 1524 N THR A 102 2.371 -7.051 -6.758 1.00 0.00 N ATOM 1525 CA THR A 102 3.423 -6.029 -6.463 1.00 0.00 C ATOM 1526 C THR A 102 4.790 -6.394 -7.100 1.00 0.00 C ATOM 1527 O THR A 102 5.366 -7.450 -6.802 1.00 0.00 O ATOM 1528 CB THR A 102 3.648 -5.809 -4.923 1.00 0.00 C ATOM 1529 OG1 THR A 102 3.901 -7.059 -4.256 1.00 0.00 O ATOM 1530 CG2 THR A 102 2.462 -5.098 -4.257 1.00 0.00 C ATOM 0 H THR A 102 1.935 -7.450 -5.927 1.00 0.00 H new ATOM 0 HA THR A 102 3.043 -5.107 -6.904 1.00 0.00 H new ATOM 0 HB THR A 102 4.522 -5.165 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 102 3.066 -7.567 -4.185 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.665 -4.969 -3.194 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.317 -4.122 -4.720 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.561 -5.697 -4.384 1.00 0.00 H new ATOM 1538 N GLU A 103 5.299 -5.502 -7.961 1.00 0.00 N ATOM 1539 CA GLU A 103 6.561 -5.703 -8.708 1.00 0.00 C ATOM 1540 C GLU A 103 7.803 -5.284 -7.879 1.00 0.00 C ATOM 1541 O GLU A 103 7.673 -4.700 -6.798 1.00 0.00 O ATOM 1542 CB GLU A 103 6.491 -4.928 -10.049 1.00 0.00 C ATOM 1543 CG GLU A 103 5.290 -5.311 -10.969 1.00 0.00 C ATOM 1544 CD GLU A 103 4.089 -4.335 -10.897 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.544 -4.127 -9.802 1.00 0.00 O ATOM 1546 OE2 GLU A 103 3.689 -3.772 -11.939 1.00 0.00 O ATOM 0 H GLU A 103 4.847 -4.611 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 103 6.675 -6.768 -8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.438 -3.861 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.418 -5.096 -10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.640 -5.361 -12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.947 -6.310 -10.700 1.00 0.00 H new ATOM 1553 N LYS A 104 9.014 -5.570 -8.405 1.00 0.00 N ATOM 1554 CA LYS A 104 10.289 -5.374 -7.659 1.00 0.00 C ATOM 1555 C LYS A 104 10.633 -3.863 -7.530 1.00 0.00 C ATOM 1556 O LYS A 104 11.254 -3.439 -6.545 1.00 0.00 O ATOM 1557 CB LYS A 104 11.432 -6.199 -8.352 1.00 0.00 C ATOM 1558 CG LYS A 104 12.611 -6.646 -7.439 1.00 0.00 C ATOM 1559 CD LYS A 104 13.630 -5.524 -7.121 1.00 0.00 C ATOM 1560 CE LYS A 104 14.697 -5.968 -6.111 1.00 0.00 C ATOM 1561 NZ LYS A 104 15.732 -4.924 -5.912 1.00 0.00 N ATOM 0 H LYS A 104 9.142 -5.939 -9.347 1.00 0.00 H new ATOM 0 HA LYS A 104 10.178 -5.747 -6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.989 -7.089 -8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.839 -5.602 -9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.205 -7.029 -6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.135 -7.472 -7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 104 14.117 -5.208 -8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.100 -4.657 -6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.222 -6.196 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.169 -6.886 -6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.620 -5.226 -6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.413 -4.032 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.889 -4.781 -4.894 1.00 0.00 H new ATOM 1575 N SER A 105 10.172 -3.057 -8.508 1.00 0.00 N ATOM 1576 CA SER A 105 10.335 -1.574 -8.502 1.00 0.00 C ATOM 1577 C SER A 105 9.674 -0.912 -7.263 1.00 0.00 C ATOM 1578 O SER A 105 10.080 0.181 -6.845 1.00 0.00 O ATOM 1579 CB SER A 105 9.760 -0.969 -9.806 1.00 0.00 C ATOM 1580 OG SER A 105 9.926 0.446 -9.879 1.00 0.00 O ATOM 0 H SER A 105 9.675 -3.408 -9.327 1.00 0.00 H new ATOM 0 HA SER A 105 11.403 -1.366 -8.445 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.249 -1.432 -10.663 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.699 -1.210 -9.876 1.00 0.00 H new ATOM 0 HG SER A 105 9.086 0.887 -9.632 1.00 0.00 H new ATOM 1586 N ALA A 106 8.646 -1.586 -6.703 1.00 0.00 N ATOM 1587 CA ALA A 106 7.927 -1.136 -5.483 1.00 0.00 C ATOM 1588 C ALA A 106 8.862 -0.925 -4.262 1.00 0.00 C ATOM 1589 O ALA A 106 8.706 0.044 -3.516 1.00 0.00 O ATOM 1590 CB ALA A 106 6.815 -2.139 -5.127 1.00 0.00 C ATOM 0 H ALA A 106 8.287 -2.462 -7.083 1.00 0.00 H new ATOM 0 HA ALA A 106 7.495 -0.163 -5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.293 -1.801 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.109 -2.208 -5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.255 -3.119 -4.943 1.00 0.00 H new ATOM 1596 N LEU A 107 9.875 -1.801 -4.115 1.00 0.00 N ATOM 1597 CA LEU A 107 10.783 -1.847 -2.924 1.00 0.00 C ATOM 1598 C LEU A 107 11.690 -0.584 -2.757 1.00 0.00 C ATOM 1599 O LEU A 107 12.493 -0.519 -1.820 1.00 0.00 O ATOM 1600 CB LEU A 107 11.671 -3.139 -2.986 1.00 0.00 C ATOM 1601 CG LEU A 107 10.988 -4.502 -2.602 1.00 0.00 C ATOM 1602 CD1 LEU A 107 9.784 -4.850 -3.506 1.00 0.00 C ATOM 1603 CD2 LEU A 107 12.028 -5.652 -2.591 1.00 0.00 C ATOM 0 H LEU A 107 10.098 -2.506 -4.817 1.00 0.00 H new ATOM 0 HA LEU A 107 10.134 -1.865 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 107 12.062 -3.231 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.526 -2.993 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 107 10.589 -4.380 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.356 -5.801 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.030 -4.068 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 107 10.116 -4.927 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.535 -6.586 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.474 -5.748 -3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 107 12.807 -5.431 -1.862 1.00 0.00 H new ATOM 1615 N ARG A 108 11.533 0.421 -3.638 1.00 0.00 N ATOM 1616 CA ARG A 108 12.369 1.657 -3.622 1.00 0.00 C ATOM 1617 C ARG A 108 11.650 2.820 -2.909 1.00 0.00 C ATOM 1618 O ARG A 108 12.285 3.789 -2.481 1.00 0.00 O ATOM 1619 CB ARG A 108 12.746 2.082 -5.068 1.00 0.00 C ATOM 1620 CG ARG A 108 13.436 0.974 -5.918 1.00 0.00 C ATOM 1621 CD ARG A 108 14.553 1.520 -6.838 1.00 0.00 C ATOM 1622 NE ARG A 108 15.747 1.918 -6.060 1.00 0.00 N ATOM 1623 CZ ARG A 108 16.463 3.013 -6.227 1.00 0.00 C ATOM 1624 NH1 ARG A 108 16.095 3.949 -7.046 1.00 0.00 N ATOM 1625 NH2 ARG A 108 17.535 3.171 -5.521 1.00 0.00 N ATOM 0 H ARG A 108 10.832 0.410 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 108 13.278 1.426 -3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.842 2.405 -5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.409 2.946 -5.016 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.859 0.223 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.685 0.472 -6.528 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.830 0.759 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.179 2.377 -7.397 1.00 0.00 H new ATOM 0 HE ARG A 108 16.046 1.282 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.232 3.849 -7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.668 4.785 -7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 108 17.813 2.456 -4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 108 18.102 4.011 -5.636 1.00 0.00 H new ATOM 1639 N TYR A 109 10.319 2.712 -2.806 1.00 0.00 N ATOM 1640 CA TYR A 109 9.449 3.685 -2.109 1.00 0.00 C ATOM 1641 C TYR A 109 8.943 3.019 -0.828 1.00 0.00 C ATOM 1642 O TYR A 109 8.693 3.657 0.199 1.00 0.00 O ATOM 1643 CB TYR A 109 8.243 4.039 -3.015 1.00 0.00 C ATOM 1644 CG TYR A 109 8.619 4.721 -4.343 1.00 0.00 C ATOM 1645 CD1 TYR A 109 9.137 3.975 -5.413 1.00 0.00 C ATOM 1646 CD2 TYR A 109 8.453 6.096 -4.534 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.472 4.578 -6.611 1.00 0.00 C ATOM 1648 CE2 TYR A 109 8.788 6.700 -5.729 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.296 5.940 -6.764 1.00 0.00 C ATOM 1650 OH TYR A 109 9.623 6.544 -7.959 1.00 0.00 O ATOM 0 H TYR A 109 9.801 1.932 -3.211 1.00 0.00 H new ATOM 0 HA TYR A 109 9.999 4.597 -1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 109 7.690 3.126 -3.234 1.00 0.00 H new ATOM 0 HB3 TYR A 109 7.570 4.695 -2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.276 2.910 -5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.055 6.698 -3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.869 3.988 -7.423 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.653 7.764 -5.854 1.00 0.00 H new ATOM 0 HH TYR A 109 9.438 7.505 -7.901 1.00 0.00 H new ATOM 1660 N VAL A 110 8.792 1.701 -0.966 1.00 0.00 N ATOM 1661 CA VAL A 110 8.298 0.784 0.046 1.00 0.00 C ATOM 1662 C VAL A 110 9.485 -0.115 0.524 1.00 0.00 C ATOM 1663 O VAL A 110 10.650 0.206 0.267 1.00 0.00 O ATOM 1664 CB VAL A 110 7.142 -0.087 -0.604 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.245 -0.691 0.449 1.00 0.00 C ATOM 1666 CG2 VAL A 110 6.277 0.707 -1.616 1.00 0.00 C ATOM 0 H VAL A 110 9.026 1.225 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 110 7.898 1.315 0.910 1.00 0.00 H new ATOM 0 HB VAL A 110 7.651 -0.881 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.465 -1.281 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.834 -1.334 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 110 5.788 0.105 1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.505 0.055 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.809 1.552 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.908 1.073 -2.425 1.00 0.00 H new ATOM 1676 N SER A 111 9.201 -1.210 1.239 1.00 0.00 N ATOM 1677 CA SER A 111 10.175 -2.304 1.462 1.00 0.00 C ATOM 1678 C SER A 111 9.454 -3.660 1.385 1.00 0.00 C ATOM 1679 O SER A 111 8.239 -3.730 1.593 1.00 0.00 O ATOM 1680 CB SER A 111 10.878 -2.157 2.836 1.00 0.00 C ATOM 1681 OG SER A 111 10.014 -2.480 3.914 1.00 0.00 O ATOM 0 H SER A 111 8.296 -1.370 1.681 1.00 0.00 H new ATOM 0 HA SER A 111 10.937 -2.249 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.753 -2.806 2.866 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.236 -1.134 2.952 1.00 0.00 H new ATOM 0 HG SER A 111 10.495 -2.376 4.761 1.00 0.00 H new ATOM 1687 N LEU A 112 10.211 -4.727 1.070 1.00 0.00 N ATOM 1688 CA LEU A 112 9.699 -6.123 1.083 1.00 0.00 C ATOM 1689 C LEU A 112 9.046 -6.490 2.433 1.00 0.00 C ATOM 1690 O LEU A 112 7.974 -7.088 2.457 1.00 0.00 O ATOM 1691 CB LEU A 112 10.851 -7.126 0.733 1.00 0.00 C ATOM 1692 CG LEU A 112 10.574 -8.675 0.959 1.00 0.00 C ATOM 1693 CD1 LEU A 112 11.273 -9.557 -0.102 1.00 0.00 C ATOM 1694 CD2 LEU A 112 10.998 -9.135 2.386 1.00 0.00 C ATOM 0 H LEU A 112 11.192 -4.654 0.799 1.00 0.00 H new ATOM 0 HA LEU A 112 8.922 -6.195 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 112 11.115 -6.982 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 112 11.726 -6.852 1.323 1.00 0.00 H new ATOM 0 HG LEU A 112 9.497 -8.806 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.054 -10.606 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.909 -9.290 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.350 -9.397 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.793 -10.199 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.064 -8.954 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.434 -8.574 3.132 1.00 0.00 H new ATOM 1706 N ALA A 113 9.716 -6.136 3.542 1.00 0.00 N ATOM 1707 CA ALA A 113 9.262 -6.477 4.911 1.00 0.00 C ATOM 1708 C ALA A 113 7.865 -5.904 5.215 1.00 0.00 C ATOM 1709 O ALA A 113 7.035 -6.568 5.836 1.00 0.00 O ATOM 1710 CB ALA A 113 10.284 -5.973 5.937 1.00 0.00 C ATOM 0 H ALA A 113 10.587 -5.606 3.521 1.00 0.00 H new ATOM 0 HA ALA A 113 9.185 -7.562 4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.946 -6.226 6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.249 -6.443 5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.384 -4.891 5.850 1.00 0.00 H new ATOM 1716 N ASP A 114 7.624 -4.674 4.744 1.00 0.00 N ATOM 1717 CA ASP A 114 6.316 -4.002 4.852 1.00 0.00 C ATOM 1718 C ASP A 114 5.219 -4.736 4.047 1.00 0.00 C ATOM 1719 O ASP A 114 4.069 -4.826 4.502 1.00 0.00 O ATOM 1720 CB ASP A 114 6.452 -2.526 4.394 1.00 0.00 C ATOM 1721 CG ASP A 114 7.326 -1.656 5.322 1.00 0.00 C ATOM 1722 OD1 ASP A 114 8.122 -2.194 6.131 1.00 0.00 O ATOM 1723 OD2 ASP A 114 7.230 -0.426 5.239 1.00 0.00 O ATOM 0 H ASP A 114 8.333 -4.111 4.274 1.00 0.00 H new ATOM 0 HA ASP A 114 6.005 -4.027 5.896 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.876 -2.506 3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.458 -2.084 4.329 1.00 0.00 H new ATOM 1728 N LEU A 115 5.597 -5.294 2.877 1.00 0.00 N ATOM 1729 CA LEU A 115 4.667 -6.063 2.032 1.00 0.00 C ATOM 1730 C LEU A 115 4.259 -7.369 2.760 1.00 0.00 C ATOM 1731 O LEU A 115 3.079 -7.624 2.999 1.00 0.00 O ATOM 1732 CB LEU A 115 5.310 -6.431 0.660 1.00 0.00 C ATOM 1733 CG LEU A 115 5.957 -5.287 -0.181 1.00 0.00 C ATOM 1734 CD1 LEU A 115 6.444 -5.805 -1.550 1.00 0.00 C ATOM 1735 CD2 LEU A 115 5.014 -4.094 -0.359 1.00 0.00 C ATOM 0 H LEU A 115 6.542 -5.224 2.498 1.00 0.00 H new ATOM 0 HA LEU A 115 3.792 -5.439 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.076 -7.184 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.541 -6.901 0.047 1.00 0.00 H new ATOM 0 HG LEU A 115 6.822 -4.936 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.890 -4.984 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.188 -6.588 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.599 -6.210 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.509 -3.324 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.109 -4.419 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.752 -3.688 0.618 1.00 0.00 H new ATOM 1747 N GLN A 116 5.283 -8.155 3.143 1.00 0.00 N ATOM 1748 CA GLN A 116 5.124 -9.513 3.716 1.00 0.00 C ATOM 1749 C GLN A 116 4.401 -9.490 5.080 1.00 0.00 C ATOM 1750 O GLN A 116 3.650 -10.415 5.407 1.00 0.00 O ATOM 1751 CB GLN A 116 6.515 -10.194 3.862 1.00 0.00 C ATOM 1752 CG GLN A 116 7.354 -10.249 2.562 1.00 0.00 C ATOM 1753 CD GLN A 116 8.068 -11.588 2.346 1.00 0.00 C ATOM 1754 OE1 GLN A 116 9.172 -11.801 2.823 1.00 0.00 O ATOM 1755 NE2 GLN A 116 7.437 -12.498 1.630 1.00 0.00 N ATOM 0 H GLN A 116 6.258 -7.865 3.064 1.00 0.00 H new ATOM 0 HA GLN A 116 4.503 -10.087 3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 116 7.086 -9.662 4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.369 -11.211 4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.702 -10.053 1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.096 -9.451 2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.516 -12.294 1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.870 -13.406 1.463 1.00 0.00 H new ATOM 1764 N ALA A 117 4.665 -8.425 5.860 1.00 0.00 N ATOM 1765 CA ALA A 117 4.018 -8.180 7.174 1.00 0.00 C ATOM 1766 C ALA A 117 2.470 -8.176 7.086 1.00 0.00 C ATOM 1767 O ALA A 117 1.783 -8.697 7.971 1.00 0.00 O ATOM 1768 CB ALA A 117 4.519 -6.852 7.760 1.00 0.00 C ATOM 0 H ALA A 117 5.336 -7.703 5.600 1.00 0.00 H new ATOM 0 HA ALA A 117 4.295 -9.004 7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.042 -6.677 8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.600 -6.898 7.893 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.272 -6.038 7.079 1.00 0.00 H new ATOM 1774 N HIS A 118 1.933 -7.563 6.014 1.00 0.00 N ATOM 1775 CA HIS A 118 0.472 -7.499 5.759 1.00 0.00 C ATOM 1776 C HIS A 118 0.143 -8.089 4.373 1.00 0.00 C ATOM 1777 O HIS A 118 -0.592 -7.492 3.591 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.040 -6.036 5.885 1.00 0.00 C ATOM 1779 CG HIS A 118 0.019 -5.486 7.284 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -1.098 -5.241 8.048 1.00 0.00 N ATOM 1781 CD2 HIS A 118 1.072 -5.134 8.054 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -0.734 -4.771 9.221 1.00 0.00 C ATOM 1783 NE2 HIS A 118 0.574 -4.695 9.251 1.00 0.00 N ATOM 0 H HIS A 118 2.493 -7.098 5.300 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.042 -8.098 6.511 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.551 -5.397 5.229 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.070 -5.990 5.531 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -2.061 -5.399 7.751 1.00 0.00 H new ATOM 0 HD2 HIS A 118 2.114 -5.189 7.776 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -1.401 -4.494 10.024 1.00 0.00 H new ATOM 1792 N ALA A 119 0.709 -9.274 4.090 1.00 0.00 N ATOM 1793 CA ALA A 119 0.440 -10.029 2.849 1.00 0.00 C ATOM 1794 C ALA A 119 -1.046 -10.441 2.691 1.00 0.00 C ATOM 1795 O ALA A 119 -1.788 -10.579 3.676 1.00 0.00 O ATOM 1796 CB ALA A 119 1.337 -11.278 2.796 1.00 0.00 C ATOM 0 H ALA A 119 1.368 -9.739 4.715 1.00 0.00 H new ATOM 0 HA ALA A 119 0.668 -9.361 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 119 1.135 -11.832 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 119 2.384 -10.975 2.814 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.128 -11.913 3.657 1.00 0.00 H new ATOM 1802 N LEU A 120 -1.455 -10.642 1.423 1.00 0.00 N ATOM 1803 CA LEU A 120 -2.795 -11.166 1.058 1.00 0.00 C ATOM 1804 C LEU A 120 -3.011 -12.626 1.585 1.00 0.00 C ATOM 1805 O LEU A 120 -2.045 -13.285 2.004 1.00 0.00 O ATOM 1806 CB LEU A 120 -2.981 -11.144 -0.501 1.00 0.00 C ATOM 1807 CG LEU A 120 -2.260 -12.287 -1.314 1.00 0.00 C ATOM 1808 CD1 LEU A 120 -2.846 -12.414 -2.732 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -0.725 -12.095 -1.360 1.00 0.00 C ATOM 0 H LEU A 120 -0.865 -10.445 0.615 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.536 -10.519 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.048 -11.193 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.624 -10.184 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.448 -13.221 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.330 -13.210 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.908 -12.650 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.716 -11.472 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.274 -12.907 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.492 -11.143 -1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.327 -12.100 -0.345 1.00 0.00 H new ATOM 1821 N PRO A 121 -4.285 -13.158 1.585 1.00 0.00 N ATOM 1822 CA PRO A 121 -4.550 -14.617 1.773 1.00 0.00 C ATOM 1823 C PRO A 121 -3.755 -15.489 0.760 1.00 0.00 C ATOM 1824 O PRO A 121 -4.041 -15.485 -0.447 1.00 0.00 O ATOM 1825 CB PRO A 121 -6.095 -14.735 1.557 1.00 0.00 C ATOM 1826 CG PRO A 121 -6.493 -13.447 0.896 1.00 0.00 C ATOM 1827 CD PRO A 121 -5.559 -12.401 1.459 1.00 0.00 C ATOM 0 HA PRO A 121 -4.231 -14.980 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.342 -15.593 0.931 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -6.617 -14.871 2.504 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.398 -13.516 -0.188 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.533 -13.201 1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -5.459 -11.543 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -5.904 -12.021 2.420 1.00 0.00 H new ATOM 1835 N VAL A 122 -2.727 -16.196 1.266 1.00 0.00 N ATOM 1836 CA VAL A 122 -1.836 -17.039 0.441 1.00 0.00 C ATOM 1837 C VAL A 122 -2.569 -18.333 0.004 1.00 0.00 C ATOM 1838 O VAL A 122 -2.556 -19.354 0.701 1.00 0.00 O ATOM 1839 CB VAL A 122 -0.493 -17.372 1.198 1.00 0.00 C ATOM 1840 CG1 VAL A 122 0.470 -18.234 0.332 1.00 0.00 C ATOM 1841 CG2 VAL A 122 0.208 -16.072 1.679 1.00 0.00 C ATOM 0 H VAL A 122 -2.489 -16.200 2.258 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.571 -16.476 -0.454 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.756 -17.966 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.381 -18.438 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.016 -19.175 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.721 -17.694 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.132 -16.327 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.437 -15.443 0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.452 -15.532 2.358 1.00 0.00 H new ATOM 1851 N LEU A 123 -3.277 -18.230 -1.129 1.00 0.00 N ATOM 1852 CA LEU A 123 -3.965 -19.356 -1.768 1.00 0.00 C ATOM 1853 C LEU A 123 -2.957 -20.198 -2.586 1.00 0.00 C ATOM 1854 O LEU A 123 -2.301 -19.672 -3.498 1.00 0.00 O ATOM 1855 CB LEU A 123 -5.107 -18.808 -2.669 1.00 0.00 C ATOM 1856 CG LEU A 123 -6.224 -17.986 -1.936 1.00 0.00 C ATOM 1857 CD1 LEU A 123 -7.270 -17.432 -2.933 1.00 0.00 C ATOM 1858 CD2 LEU A 123 -6.895 -18.822 -0.816 1.00 0.00 C ATOM 0 H LEU A 123 -3.388 -17.350 -1.633 1.00 0.00 H new ATOM 0 HA LEU A 123 -4.401 -20.006 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -4.664 -18.176 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -5.577 -19.649 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 123 -5.742 -17.130 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -8.028 -16.868 -2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -6.777 -16.777 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -7.743 -18.260 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -7.664 -18.224 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -7.349 -19.713 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -6.144 -19.117 -0.083 1.00 0.00 H new ATOM 1870 N GLU A 124 -2.824 -21.490 -2.238 1.00 0.00 N ATOM 1871 CA GLU A 124 -1.906 -22.425 -2.923 1.00 0.00 C ATOM 1872 C GLU A 124 -2.442 -22.767 -4.337 1.00 0.00 C ATOM 1873 O GLU A 124 -3.506 -23.374 -4.476 1.00 0.00 O ATOM 1874 CB GLU A 124 -1.716 -23.698 -2.033 1.00 0.00 C ATOM 1875 CG GLU A 124 -0.730 -24.790 -2.552 1.00 0.00 C ATOM 1876 CD GLU A 124 -1.321 -25.764 -3.599 1.00 0.00 C ATOM 1877 OE1 GLU A 124 -2.378 -26.385 -3.320 1.00 0.00 O ATOM 1878 OE2 GLU A 124 -0.741 -25.914 -4.695 1.00 0.00 O ATOM 0 H GLU A 124 -3.348 -21.918 -1.475 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.930 -21.961 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.375 -23.375 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.692 -24.163 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 124 0.138 -24.296 -2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -0.373 -25.369 -1.701 1.00 0.00 H new ATOM 1885 N HIS A 125 -1.712 -22.315 -5.373 1.00 0.00 N ATOM 1886 CA HIS A 125 -1.989 -22.656 -6.788 1.00 0.00 C ATOM 1887 C HIS A 125 -1.039 -23.783 -7.241 1.00 0.00 C ATOM 1888 O HIS A 125 0.169 -23.707 -6.996 1.00 0.00 O ATOM 1889 CB HIS A 125 -1.812 -21.409 -7.693 1.00 0.00 C ATOM 1890 CG HIS A 125 -2.824 -20.325 -7.445 1.00 0.00 C ATOM 1891 ND1 HIS A 125 -2.809 -19.521 -6.326 1.00 0.00 N ATOM 1892 CD2 HIS A 125 -3.897 -19.928 -8.168 1.00 0.00 C ATOM 1893 CE1 HIS A 125 -3.821 -18.683 -6.374 1.00 0.00 C ATOM 1894 NE2 HIS A 125 -4.494 -18.907 -7.478 1.00 0.00 N ATOM 0 H HIS A 125 -0.908 -21.699 -5.255 1.00 0.00 H new ATOM 0 HA HIS A 125 -3.021 -22.997 -6.875 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -0.813 -21.001 -7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -1.874 -21.718 -8.736 1.00 0.00 H new ATOM 0 HD1 HIS A 125 -2.119 -19.569 -5.576 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -4.222 -20.339 -9.112 1.00 0.00 H new ATOM 0 HE1 HIS A 125 -4.058 -17.936 -5.630 1.00 0.00 H new ATOM 1903 N HIS A 126 -1.590 -24.816 -7.899 1.00 0.00 N ATOM 1904 CA HIS A 126 -0.812 -25.991 -8.349 1.00 0.00 C ATOM 1905 C HIS A 126 0.159 -25.612 -9.495 1.00 0.00 C ATOM 1906 O HIS A 126 -0.259 -25.380 -10.637 1.00 0.00 O ATOM 1907 CB HIS A 126 -1.773 -27.134 -8.769 1.00 0.00 C ATOM 1908 CG HIS A 126 -2.681 -27.573 -7.651 1.00 0.00 C ATOM 1909 ND1 HIS A 126 -4.055 -27.478 -7.702 1.00 0.00 N ATOM 1910 CD2 HIS A 126 -2.397 -28.082 -6.433 1.00 0.00 C ATOM 1911 CE1 HIS A 126 -4.569 -27.897 -6.565 1.00 0.00 C ATOM 1912 NE2 HIS A 126 -3.586 -28.269 -5.775 1.00 0.00 N ATOM 0 H HIS A 126 -2.581 -24.864 -8.135 1.00 0.00 H new ATOM 0 HA HIS A 126 -0.202 -26.346 -7.518 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -2.378 -26.802 -9.613 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -1.188 -27.987 -9.112 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.413 -28.302 -6.047 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -5.621 -27.930 -6.322 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -3.690 -28.636 -4.829 1.00 0.00 H new ATOM 1921 N HIS A 127 1.456 -25.508 -9.145 1.00 0.00 N ATOM 1922 CA HIS A 127 2.536 -25.152 -10.084 1.00 0.00 C ATOM 1923 C HIS A 127 2.810 -26.311 -11.072 1.00 0.00 C ATOM 1924 O HIS A 127 3.435 -27.314 -10.717 1.00 0.00 O ATOM 1925 CB HIS A 127 3.831 -24.763 -9.304 1.00 0.00 C ATOM 1926 CG HIS A 127 3.710 -23.491 -8.501 1.00 0.00 C ATOM 1927 ND1 HIS A 127 2.902 -23.374 -7.391 1.00 0.00 N ATOM 1928 CD2 HIS A 127 4.264 -22.265 -8.677 1.00 0.00 C ATOM 1929 CE1 HIS A 127 2.969 -22.148 -6.920 1.00 0.00 C ATOM 1930 NE2 HIS A 127 3.785 -21.452 -7.679 1.00 0.00 N ATOM 0 H HIS A 127 1.786 -25.670 -8.193 1.00 0.00 H new ATOM 0 HA HIS A 127 2.216 -24.287 -10.665 1.00 0.00 H new ATOM 0 HB2 HIS A 127 4.097 -25.580 -8.633 1.00 0.00 H new ATOM 0 HB3 HIS A 127 4.651 -24.655 -10.014 1.00 0.00 H new ATOM 0 HD1 HIS A 127 2.337 -24.125 -6.994 1.00 0.00 H new ATOM 0 HD2 HIS A 127 4.954 -21.981 -9.458 1.00 0.00 H new ATOM 0 HE1 HIS A 127 2.442 -21.776 -6.054 1.00 0.00 H new ATOM 0 HE2 HIS A 127 4.024 -20.469 -7.548 1.00 0.00 H new ATOM 1939 N HIS A 128 2.324 -26.154 -12.318 1.00 0.00 N ATOM 1940 CA HIS A 128 2.553 -27.125 -13.415 1.00 0.00 C ATOM 1941 C HIS A 128 3.945 -26.936 -14.078 1.00 0.00 C ATOM 1942 O HIS A 128 4.237 -27.561 -15.104 1.00 0.00 O ATOM 1943 CB HIS A 128 1.420 -27.002 -14.465 1.00 0.00 C ATOM 1944 CG HIS A 128 0.073 -27.440 -13.952 1.00 0.00 C ATOM 1945 ND1 HIS A 128 -0.747 -26.629 -13.201 1.00 0.00 N ATOM 1946 CD2 HIS A 128 -0.584 -28.616 -14.070 1.00 0.00 C ATOM 1947 CE1 HIS A 128 -1.843 -27.283 -12.883 1.00 0.00 C ATOM 1948 NE2 HIS A 128 -1.773 -28.488 -13.396 1.00 0.00 N ATOM 0 H HIS A 128 1.760 -25.351 -12.597 1.00 0.00 H new ATOM 0 HA HIS A 128 2.541 -28.128 -12.988 1.00 0.00 H new ATOM 0 HB2 HIS A 128 1.354 -25.966 -14.796 1.00 0.00 H new ATOM 0 HB3 HIS A 128 1.679 -27.600 -15.339 1.00 0.00 H new ATOM 0 HD1 HIS A 128 -0.537 -25.668 -12.932 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -0.238 -29.493 -14.597 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -2.663 -26.893 -12.298 1.00 0.00 H new ATOM 1957 N HIS A 129 4.796 -26.076 -13.475 1.00 0.00 N ATOM 1958 CA HIS A 129 6.201 -25.888 -13.891 1.00 0.00 C ATOM 1959 C HIS A 129 7.034 -27.186 -13.671 1.00 0.00 C ATOM 1960 O HIS A 129 8.021 -27.416 -14.372 1.00 0.00 O ATOM 1961 CB HIS A 129 6.823 -24.695 -13.113 1.00 0.00 C ATOM 1962 CG HIS A 129 8.166 -24.255 -13.644 1.00 0.00 C ATOM 1963 ND1 HIS A 129 9.368 -24.666 -13.099 1.00 0.00 N ATOM 1964 CD2 HIS A 129 8.491 -23.447 -14.685 1.00 0.00 C ATOM 1965 CE1 HIS A 129 10.363 -24.135 -13.780 1.00 0.00 C ATOM 1966 NE2 HIS A 129 9.860 -23.394 -14.743 1.00 0.00 N ATOM 0 H HIS A 129 4.525 -25.492 -12.684 1.00 0.00 H new ATOM 0 HA HIS A 129 6.220 -25.665 -14.958 1.00 0.00 H new ATOM 0 HB2 HIS A 129 6.134 -23.851 -13.149 1.00 0.00 H new ATOM 0 HB3 HIS A 129 6.931 -24.974 -12.065 1.00 0.00 H new ATOM 0 HD2 HIS A 129 7.801 -22.941 -15.344 1.00 0.00 H new ATOM 0 HE1 HIS A 129 11.414 -24.283 -13.581 1.00 0.00 H new ATOM 0 HE2 HIS A 129 10.402 -22.864 -15.425 1.00 0.00 H new ATOM 1975 N HIS A 130 6.631 -28.013 -12.679 1.00 0.00 N ATOM 1976 CA HIS A 130 7.227 -29.352 -12.456 1.00 0.00 C ATOM 1977 C HIS A 130 6.675 -30.376 -13.510 1.00 0.00 C ATOM 1978 O HIS A 130 7.369 -30.647 -14.509 1.00 0.00 O ATOM 1979 CB HIS A 130 6.956 -29.830 -11.000 1.00 0.00 C ATOM 1980 CG HIS A 130 7.583 -31.163 -10.658 1.00 0.00 C ATOM 1981 ND1 HIS A 130 7.059 -32.367 -11.081 1.00 0.00 N ATOM 1982 CD2 HIS A 130 8.695 -31.478 -9.946 1.00 0.00 C ATOM 1983 CE1 HIS A 130 7.813 -33.355 -10.650 1.00 0.00 C ATOM 1984 NE2 HIS A 130 8.812 -32.848 -9.958 1.00 0.00 N ATOM 1985 OXT HIS A 130 5.545 -30.890 -13.335 1.00 0.00 O ATOM 0 H HIS A 130 5.892 -27.775 -12.017 1.00 0.00 H new ATOM 0 HA HIS A 130 8.307 -29.286 -12.588 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.330 -29.077 -10.307 1.00 0.00 H new ATOM 0 HB3 HIS A 130 5.879 -29.898 -10.846 1.00 0.00 H new ATOM 0 HD2 HIS A 130 9.363 -30.782 -9.461 1.00 0.00 H new ATOM 0 HE1 HIS A 130 7.641 -34.405 -10.833 1.00 0.00 H new ATOM 0 HE2 HIS A 130 9.552 -33.384 -9.505 1.00 0.00 H new TER 1994 HIS A 130