USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=30 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 40 THR OG1 : rot -95:sc= 0.483 USER MOD Set 1.2: A 105 SER OG : rot 70:sc= -0.133 USER MOD Set 2.1: A 34 GLN : amide:sc= -0.233 K(o=-0.2,f=-3.4!) USER MOD Set 2.2: A 39 HIS : no HE2:sc= 0.03 K(o=-0.2,f=-1.4) USER MOD Set 2.3: A 109 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 15 CYS SG : rot 23:sc= 1.18 USER MOD Set 3.2: A 17 CYS SG : rot 180:sc= 0.445 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0287 (180deg=-0.267) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.146) USER MOD Single : A 3 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.13) USER MOD Single : A 5 GLN : amide:sc= -0.431 K(o=-0.43,f=-3.2!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= 0.269 X(o=0.27,f=-0.12) USER MOD Single : A 16 CYS SG : rot -34:sc= 0.317 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 170:sc= 0.563 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc=-0.00805 X(o=-0.0081,f=-0.0081) USER MOD Single : A 29 CYS SG : rot 180:sc= -1.72! USER MOD Single : A 30 GLN : amide:sc= -0.811 K(o=-0.81,f=-4.1!) USER MOD Single : A 31 THR OG1 : rot 150:sc= 0.777 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 78:sc= 0.0047 USER MOD Single : A 45 MET CE :methyl -165:sc= -1.27 (180deg=-1.52!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0973 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 61 MET CE :methyl 142:sc= -0.0871 (180deg=-0.348) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -47:sc= -0.0874 USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.91! C(o=-1.9!,f=-6.3!) USER MOD Single : A 93 MET CE :methyl -123:sc= -1.23 (180deg=-3.34!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 130:sc= -0.193 USER MOD Single : A 102 THR OG1 : rot 33:sc= 0.101 USER MOD Single : A 104 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00677) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.24) USER MOD Single : A 118 HIS : no HE2:sc= -0.478 X(o=-0.48,f=-0.76) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HD1:sc= 0.258 K(o=0.26,f=-1.8) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HE2:sc=-0.00975 X(o=-0.0098,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.920 -9.147 -24.446 1.00 0.00 N ATOM 2 CA MET A 1 30.953 -9.110 -22.953 1.00 0.00 C ATOM 3 C MET A 1 30.869 -7.647 -22.444 1.00 0.00 C ATOM 4 O MET A 1 31.846 -6.894 -22.537 1.00 0.00 O ATOM 5 CB MET A 1 32.238 -9.807 -22.421 1.00 0.00 C ATOM 6 CG MET A 1 32.387 -11.280 -22.828 1.00 0.00 C ATOM 7 SD MET A 1 33.918 -12.034 -22.230 1.00 0.00 S ATOM 8 CE MET A 1 33.683 -11.997 -20.450 1.00 0.00 C ATOM 0 H1 MET A 1 30.789 -10.128 -24.766 1.00 0.00 H new ATOM 0 H2 MET A 1 30.132 -8.562 -24.790 1.00 0.00 H new ATOM 0 H3 MET A 1 31.816 -8.777 -24.822 1.00 0.00 H new ATOM 0 HA MET A 1 30.088 -9.653 -22.573 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.108 -9.256 -22.779 1.00 0.00 H new ATOM 0 HB3 MET A 1 32.245 -9.743 -21.333 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.537 -11.844 -22.443 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.353 -11.355 -23.915 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.431 -12.629 -19.971 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.789 -10.974 -20.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 32.687 -12.366 -20.207 1.00 0.00 H new ATOM 20 N GLY A 2 29.691 -7.249 -21.926 1.00 0.00 N ATOM 21 CA GLY A 2 29.472 -5.889 -21.398 1.00 0.00 C ATOM 22 C GLY A 2 28.318 -5.155 -22.084 1.00 0.00 C ATOM 23 O GLY A 2 28.229 -5.165 -23.319 1.00 0.00 O ATOM 0 H GLY A 2 28.872 -7.854 -21.862 1.00 0.00 H new ATOM 0 HA2 GLY A 2 29.271 -5.949 -20.328 1.00 0.00 H new ATOM 0 HA3 GLY A 2 30.386 -5.308 -21.518 1.00 0.00 H new ATOM 27 N GLN A 3 27.449 -4.517 -21.260 1.00 0.00 N ATOM 28 CA GLN A 3 26.302 -3.690 -21.707 1.00 0.00 C ATOM 29 C GLN A 3 25.274 -4.505 -22.543 1.00 0.00 C ATOM 30 O GLN A 3 25.397 -4.602 -23.768 1.00 0.00 O ATOM 31 CB GLN A 3 26.761 -2.405 -22.490 1.00 0.00 C ATOM 32 CG GLN A 3 27.520 -1.337 -21.663 1.00 0.00 C ATOM 33 CD GLN A 3 28.931 -1.750 -21.210 1.00 0.00 C ATOM 34 OE1 GLN A 3 29.908 -1.550 -21.916 1.00 0.00 O ATOM 35 NE2 GLN A 3 29.045 -2.322 -20.024 1.00 0.00 N ATOM 0 H GLN A 3 27.529 -4.565 -20.244 1.00 0.00 H new ATOM 0 HA GLN A 3 25.800 -3.362 -20.797 1.00 0.00 H new ATOM 0 HB2 GLN A 3 27.400 -2.717 -23.316 1.00 0.00 H new ATOM 0 HB3 GLN A 3 25.879 -1.937 -22.928 1.00 0.00 H new ATOM 0 HG2 GLN A 3 27.597 -0.426 -22.257 1.00 0.00 H new ATOM 0 HG3 GLN A 3 26.928 -1.093 -20.781 1.00 0.00 H new ATOM 0 HE21 GLN A 3 28.215 -2.479 -19.452 1.00 0.00 H new ATOM 0 HE22 GLN A 3 29.963 -2.606 -19.681 1.00 0.00 H new ATOM 44 N GLY A 4 24.275 -5.109 -21.868 1.00 0.00 N ATOM 45 CA GLY A 4 23.172 -5.788 -22.564 1.00 0.00 C ATOM 46 C GLY A 4 22.018 -4.828 -22.885 1.00 0.00 C ATOM 47 O GLY A 4 21.275 -4.419 -21.988 1.00 0.00 O ATOM 0 H GLY A 4 24.212 -5.139 -20.850 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.544 -6.230 -23.488 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.802 -6.606 -21.946 1.00 0.00 H new ATOM 51 N GLN A 5 21.875 -4.464 -24.170 1.00 0.00 N ATOM 52 CA GLN A 5 20.780 -3.591 -24.654 1.00 0.00 C ATOM 53 C GLN A 5 19.573 -4.451 -25.087 1.00 0.00 C ATOM 54 O GLN A 5 19.745 -5.609 -25.475 1.00 0.00 O ATOM 55 CB GLN A 5 21.272 -2.717 -25.849 1.00 0.00 C ATOM 56 CG GLN A 5 22.195 -1.523 -25.488 1.00 0.00 C ATOM 57 CD GLN A 5 23.459 -1.910 -24.716 1.00 0.00 C ATOM 58 OE1 GLN A 5 23.496 -1.860 -23.494 1.00 0.00 O ATOM 59 NE2 GLN A 5 24.479 -2.352 -25.417 1.00 0.00 N ATOM 0 H GLN A 5 22.513 -4.764 -24.907 1.00 0.00 H new ATOM 0 HA GLN A 5 20.473 -2.931 -23.843 1.00 0.00 H new ATOM 0 HB2 GLN A 5 21.803 -3.362 -26.549 1.00 0.00 H new ATOM 0 HB3 GLN A 5 20.398 -2.329 -26.373 1.00 0.00 H new ATOM 0 HG2 GLN A 5 22.487 -1.015 -26.407 1.00 0.00 H new ATOM 0 HG3 GLN A 5 21.627 -0.807 -24.894 1.00 0.00 H new ATOM 0 HE21 GLN A 5 24.423 -2.384 -26.435 1.00 0.00 H new ATOM 0 HE22 GLN A 5 25.327 -2.663 -24.943 1.00 0.00 H new ATOM 68 N ASN A 6 18.353 -3.877 -25.032 1.00 0.00 N ATOM 69 CA ASN A 6 17.109 -4.586 -25.424 1.00 0.00 C ATOM 70 C ASN A 6 16.273 -3.730 -26.393 1.00 0.00 C ATOM 71 O ASN A 6 16.019 -2.546 -26.139 1.00 0.00 O ATOM 72 CB ASN A 6 16.251 -4.950 -24.186 1.00 0.00 C ATOM 73 CG ASN A 6 17.000 -5.845 -23.195 1.00 0.00 C ATOM 74 OD1 ASN A 6 16.966 -7.060 -23.296 1.00 0.00 O ATOM 75 ND2 ASN A 6 17.694 -5.249 -22.240 1.00 0.00 N ATOM 0 H ASN A 6 18.199 -2.919 -24.718 1.00 0.00 H new ATOM 0 HA ASN A 6 17.407 -5.507 -25.924 1.00 0.00 H new ATOM 0 HB2 ASN A 6 15.941 -4.035 -23.681 1.00 0.00 H new ATOM 0 HB3 ASN A 6 15.343 -5.457 -24.514 1.00 0.00 H new ATOM 0 HD21 ASN A 6 18.217 -5.807 -21.566 1.00 0.00 H new ATOM 0 HD22 ASN A 6 17.706 -4.231 -22.178 1.00 0.00 H new ATOM 82 N VAL A 7 15.819 -4.372 -27.477 1.00 0.00 N ATOM 83 CA VAL A 7 14.910 -3.767 -28.488 1.00 0.00 C ATOM 84 C VAL A 7 13.472 -3.684 -27.916 1.00 0.00 C ATOM 85 O VAL A 7 12.613 -2.955 -28.421 1.00 0.00 O ATOM 86 CB VAL A 7 14.922 -4.596 -29.849 1.00 0.00 C ATOM 87 CG1 VAL A 7 16.342 -5.119 -30.155 1.00 0.00 C ATOM 88 CG2 VAL A 7 13.908 -5.778 -29.868 1.00 0.00 C ATOM 0 H VAL A 7 16.069 -5.338 -27.689 1.00 0.00 H new ATOM 0 HA VAL A 7 15.266 -2.762 -28.712 1.00 0.00 H new ATOM 0 HB VAL A 7 14.607 -3.899 -30.626 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.329 -5.682 -31.088 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.028 -4.277 -30.249 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.673 -5.768 -29.344 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.972 -6.297 -30.825 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.144 -6.473 -29.062 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.898 -5.393 -29.731 1.00 0.00 H new ATOM 98 N LEU A 8 13.254 -4.464 -26.843 1.00 0.00 N ATOM 99 CA LEU A 8 11.964 -4.611 -26.166 1.00 0.00 C ATOM 100 C LEU A 8 11.676 -3.395 -25.252 1.00 0.00 C ATOM 101 O LEU A 8 10.543 -2.904 -25.177 1.00 0.00 O ATOM 102 CB LEU A 8 11.983 -5.915 -25.337 1.00 0.00 C ATOM 103 CG LEU A 8 12.425 -7.215 -26.086 1.00 0.00 C ATOM 104 CD1 LEU A 8 12.302 -8.435 -25.166 1.00 0.00 C ATOM 105 CD2 LEU A 8 11.633 -7.435 -27.396 1.00 0.00 C ATOM 0 H LEU A 8 13.993 -5.022 -26.415 1.00 0.00 H new ATOM 0 HA LEU A 8 11.170 -4.658 -26.912 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.649 -5.768 -24.487 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.983 -6.077 -24.934 1.00 0.00 H new ATOM 0 HG LEU A 8 13.471 -7.087 -26.363 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.614 -9.330 -25.705 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.939 -8.297 -24.292 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.266 -8.547 -24.846 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.976 -8.350 -27.879 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.570 -7.521 -27.169 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.793 -6.589 -28.065 1.00 0.00 H new ATOM 117 N GLY A 9 12.739 -2.921 -24.566 1.00 0.00 N ATOM 118 CA GLY A 9 12.647 -1.813 -23.602 1.00 0.00 C ATOM 119 C GLY A 9 12.818 -0.425 -24.236 1.00 0.00 C ATOM 120 O GLY A 9 13.762 0.303 -23.909 1.00 0.00 O ATOM 0 H GLY A 9 13.681 -3.298 -24.668 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.679 -1.857 -23.103 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.408 -1.948 -22.834 1.00 0.00 H new ATOM 124 N GLN A 10 11.893 -0.074 -25.145 1.00 0.00 N ATOM 125 CA GLN A 10 11.847 1.255 -25.804 1.00 0.00 C ATOM 126 C GLN A 10 10.420 1.540 -26.341 1.00 0.00 C ATOM 127 O GLN A 10 9.862 2.623 -26.112 1.00 0.00 O ATOM 128 CB GLN A 10 12.903 1.368 -26.948 1.00 0.00 C ATOM 129 CG GLN A 10 12.862 0.220 -27.981 1.00 0.00 C ATOM 130 CD GLN A 10 13.711 0.452 -29.231 1.00 0.00 C ATOM 131 OE1 GLN A 10 14.733 1.120 -29.196 1.00 0.00 O ATOM 132 NE2 GLN A 10 13.290 -0.106 -30.350 1.00 0.00 N ATOM 0 H GLN A 10 11.150 -0.703 -25.449 1.00 0.00 H new ATOM 0 HA GLN A 10 12.097 2.008 -25.056 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.753 2.313 -27.470 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.898 1.403 -26.504 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.196 -0.698 -27.497 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.828 0.061 -28.286 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.433 -0.659 -30.353 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.821 0.016 -31.212 1.00 0.00 H new ATOM 141 N ASP A 11 9.841 0.558 -27.067 1.00 0.00 N ATOM 142 CA ASP A 11 8.451 0.622 -27.570 1.00 0.00 C ATOM 143 C ASP A 11 7.461 0.099 -26.508 1.00 0.00 C ATOM 144 O ASP A 11 7.846 -0.655 -25.597 1.00 0.00 O ATOM 145 CB ASP A 11 8.296 -0.221 -28.867 1.00 0.00 C ATOM 146 CG ASP A 11 9.243 0.206 -29.994 1.00 0.00 C ATOM 147 OD1 ASP A 11 8.887 1.107 -30.778 1.00 0.00 O ATOM 148 OD2 ASP A 11 10.348 -0.361 -30.099 1.00 0.00 O ATOM 0 H ASP A 11 10.326 -0.303 -27.321 1.00 0.00 H new ATOM 0 HA ASP A 11 8.227 1.666 -27.789 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.475 -1.270 -28.632 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.267 -0.144 -29.219 1.00 0.00 H new ATOM 153 N LEU A 12 6.182 0.498 -26.639 1.00 0.00 N ATOM 154 CA LEU A 12 5.090 -0.044 -25.804 1.00 0.00 C ATOM 155 C LEU A 12 4.743 -1.486 -26.263 1.00 0.00 C ATOM 156 O LEU A 12 4.703 -1.772 -27.463 1.00 0.00 O ATOM 157 CB LEU A 12 3.819 0.875 -25.824 1.00 0.00 C ATOM 158 CG LEU A 12 2.912 0.882 -27.113 1.00 0.00 C ATOM 159 CD1 LEU A 12 1.634 1.710 -26.877 1.00 0.00 C ATOM 160 CD2 LEU A 12 3.658 1.395 -28.371 1.00 0.00 C ATOM 0 H LEU A 12 5.877 1.196 -27.317 1.00 0.00 H new ATOM 0 HA LEU A 12 5.438 -0.072 -24.772 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.191 0.590 -24.980 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.148 1.899 -25.646 1.00 0.00 H new ATOM 0 HG LEU A 12 2.639 -0.156 -27.304 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.023 1.701 -27.780 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.068 1.278 -26.051 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.906 2.737 -26.633 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.983 1.377 -29.227 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.000 2.416 -28.200 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.516 0.754 -28.572 1.00 0.00 H new ATOM 172 N GLU A 13 4.555 -2.396 -25.299 1.00 0.00 N ATOM 173 CA GLU A 13 4.186 -3.813 -25.569 1.00 0.00 C ATOM 174 C GLU A 13 2.659 -4.022 -25.438 1.00 0.00 C ATOM 175 O GLU A 13 2.082 -4.934 -26.047 1.00 0.00 O ATOM 176 CB GLU A 13 4.937 -4.725 -24.559 1.00 0.00 C ATOM 177 CG GLU A 13 6.468 -4.529 -24.547 1.00 0.00 C ATOM 178 CD GLU A 13 7.180 -5.328 -23.437 1.00 0.00 C ATOM 179 OE1 GLU A 13 7.258 -4.821 -22.293 1.00 0.00 O ATOM 180 OE2 GLU A 13 7.667 -6.451 -23.702 1.00 0.00 O ATOM 0 H GLU A 13 4.652 -2.182 -24.306 1.00 0.00 H new ATOM 0 HA GLU A 13 4.471 -4.069 -26.589 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.550 -4.535 -23.558 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.717 -5.766 -24.794 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.872 -4.826 -25.515 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.690 -3.469 -24.421 1.00 0.00 H new ATOM 187 N VAL A 14 2.025 -3.162 -24.624 1.00 0.00 N ATOM 188 CA VAL A 14 0.603 -3.272 -24.239 1.00 0.00 C ATOM 189 C VAL A 14 -0.277 -2.252 -25.038 1.00 0.00 C ATOM 190 O VAL A 14 0.257 -1.391 -25.748 1.00 0.00 O ATOM 191 CB VAL A 14 0.496 -3.076 -22.678 1.00 0.00 C ATOM 192 CG1 VAL A 14 0.744 -1.602 -22.271 1.00 0.00 C ATOM 193 CG2 VAL A 14 -0.837 -3.634 -22.116 1.00 0.00 C ATOM 0 H VAL A 14 2.491 -2.357 -24.207 1.00 0.00 H new ATOM 0 HA VAL A 14 0.217 -4.259 -24.493 1.00 0.00 H new ATOM 0 HB VAL A 14 1.291 -3.664 -22.219 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.662 -1.505 -21.188 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.742 -1.300 -22.588 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.002 -0.963 -22.750 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.870 -3.479 -21.038 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.674 -3.116 -22.583 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.905 -4.700 -22.332 1.00 0.00 H new ATOM 203 N CYS A 15 -1.622 -2.329 -24.895 1.00 0.00 N ATOM 204 CA CYS A 15 -2.573 -1.612 -25.792 1.00 0.00 C ATOM 205 C CYS A 15 -3.860 -1.169 -25.044 1.00 0.00 C ATOM 206 O CYS A 15 -4.057 0.027 -24.796 1.00 0.00 O ATOM 207 CB CYS A 15 -2.932 -2.519 -26.996 1.00 0.00 C ATOM 208 SG CYS A 15 -4.324 -1.934 -27.986 1.00 0.00 S ATOM 0 H CYS A 15 -2.077 -2.880 -24.167 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.083 -0.706 -26.147 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.057 -2.609 -27.640 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.160 -3.519 -26.626 1.00 0.00 H new ATOM 0 HG CYS A 15 -4.462 -0.651 -27.825 1.00 0.00 H new ATOM 214 N CYS A 16 -4.747 -2.153 -24.737 1.00 0.00 N ATOM 215 CA CYS A 16 -6.023 -1.962 -23.974 1.00 0.00 C ATOM 216 C CYS A 16 -7.107 -1.177 -24.755 1.00 0.00 C ATOM 217 O CYS A 16 -8.172 -0.878 -24.204 1.00 0.00 O ATOM 218 CB CYS A 16 -5.764 -1.311 -22.591 1.00 0.00 C ATOM 219 SG CYS A 16 -7.221 -1.181 -21.521 1.00 0.00 S ATOM 0 H CYS A 16 -4.597 -3.123 -25.016 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.423 -2.965 -23.822 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.000 -1.890 -22.071 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.356 -0.312 -22.747 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.276 -0.966 -22.249 1.00 0.00 H new ATOM 225 N CYS A 17 -6.848 -0.869 -26.040 1.00 0.00 N ATOM 226 CA CYS A 17 -7.788 -0.104 -26.892 1.00 0.00 C ATOM 227 C CYS A 17 -9.130 -0.857 -27.092 1.00 0.00 C ATOM 228 O CYS A 17 -10.200 -0.350 -26.723 1.00 0.00 O ATOM 229 CB CYS A 17 -7.120 0.188 -28.246 1.00 0.00 C ATOM 230 SG CYS A 17 -5.540 1.053 -28.102 1.00 0.00 S ATOM 0 H CYS A 17 -5.988 -1.140 -26.517 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.024 0.834 -26.390 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.963 -0.752 -28.774 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.798 0.786 -28.855 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.047 1.256 -29.288 1.00 0.00 H new ATOM 236 N ALA A 18 -9.034 -2.080 -27.647 1.00 0.00 N ATOM 237 CA ALA A 18 -10.195 -2.972 -27.905 1.00 0.00 C ATOM 238 C ALA A 18 -9.743 -4.384 -28.415 1.00 0.00 C ATOM 239 O ALA A 18 -10.108 -5.393 -27.797 1.00 0.00 O ATOM 240 CB ALA A 18 -11.220 -2.336 -28.882 1.00 0.00 C ATOM 0 H ALA A 18 -8.143 -2.486 -27.934 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.697 -3.106 -26.947 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.049 -3.026 -29.039 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.597 -1.405 -28.458 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.734 -2.130 -29.836 1.00 0.00 H new ATOM 246 N PRO A 19 -8.931 -4.509 -29.539 1.00 0.00 N ATOM 247 CA PRO A 19 -8.600 -5.836 -30.135 1.00 0.00 C ATOM 248 C PRO A 19 -7.393 -6.560 -29.467 1.00 0.00 C ATOM 249 O PRO A 19 -7.208 -7.765 -29.649 1.00 0.00 O ATOM 250 CB PRO A 19 -8.299 -5.456 -31.602 1.00 0.00 C ATOM 251 CG PRO A 19 -7.632 -4.112 -31.508 1.00 0.00 C ATOM 252 CD PRO A 19 -8.283 -3.405 -30.324 1.00 0.00 C ATOM 0 HA PRO A 19 -9.406 -6.559 -30.004 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.649 -6.190 -32.078 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.212 -5.406 -32.195 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.558 -4.219 -31.357 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.770 -3.542 -32.427 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.545 -2.872 -29.725 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.016 -2.669 -30.655 1.00 0.00 H new ATOM 260 N MET A 20 -6.572 -5.809 -28.705 1.00 0.00 N ATOM 261 CA MET A 20 -5.334 -6.329 -28.067 1.00 0.00 C ATOM 262 C MET A 20 -5.333 -6.067 -26.537 1.00 0.00 C ATOM 263 O MET A 20 -5.824 -5.027 -26.075 1.00 0.00 O ATOM 264 CB MET A 20 -4.085 -5.693 -28.737 1.00 0.00 C ATOM 265 CG MET A 20 -3.904 -6.055 -30.219 1.00 0.00 C ATOM 266 SD MET A 20 -2.420 -5.321 -30.944 1.00 0.00 S ATOM 267 CE MET A 20 -2.491 -5.933 -32.633 1.00 0.00 C ATOM 0 H MET A 20 -6.745 -4.823 -28.511 1.00 0.00 H new ATOM 0 HA MET A 20 -5.301 -7.409 -28.213 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.152 -4.609 -28.646 1.00 0.00 H new ATOM 0 HB3 MET A 20 -3.196 -6.004 -28.189 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.854 -7.139 -30.320 1.00 0.00 H new ATOM 0 HG3 MET A 20 -4.778 -5.723 -30.779 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.635 -5.557 -33.193 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.470 -7.023 -32.626 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.412 -5.591 -33.105 1.00 0.00 H new ATOM 277 N THR A 21 -4.721 -7.018 -25.791 1.00 0.00 N ATOM 278 CA THR A 21 -4.700 -7.092 -24.300 1.00 0.00 C ATOM 279 C THR A 21 -6.125 -7.003 -23.668 1.00 0.00 C ATOM 280 O THR A 21 -6.761 -8.045 -23.490 1.00 0.00 O ATOM 281 CB THR A 21 -3.682 -6.092 -23.629 1.00 0.00 C ATOM 282 OG1 THR A 21 -4.022 -4.730 -23.919 1.00 0.00 O ATOM 283 CG2 THR A 21 -2.244 -6.356 -24.107 1.00 0.00 C ATOM 0 H THR A 21 -4.207 -7.786 -26.222 1.00 0.00 H new ATOM 0 HA THR A 21 -4.322 -8.089 -24.073 1.00 0.00 H new ATOM 0 HB THR A 21 -3.742 -6.257 -22.553 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.478 -4.132 -23.365 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.566 -5.651 -23.627 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.955 -7.374 -23.845 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.191 -6.231 -25.189 1.00 0.00 H new ATOM 291 N GLY A 22 -6.614 -5.776 -23.352 1.00 0.00 N ATOM 292 CA GLY A 22 -8.010 -5.541 -22.919 1.00 0.00 C ATOM 293 C GLY A 22 -8.470 -6.313 -21.658 1.00 0.00 C ATOM 294 O GLY A 22 -8.457 -5.773 -20.547 1.00 0.00 O ATOM 0 H GLY A 22 -6.051 -4.926 -23.391 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.137 -4.474 -22.734 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.674 -5.803 -23.743 1.00 0.00 H new ATOM 298 N TRP A 23 -8.892 -7.580 -21.880 1.00 0.00 N ATOM 299 CA TRP A 23 -9.434 -8.504 -20.847 1.00 0.00 C ATOM 300 C TRP A 23 -8.510 -8.639 -19.609 1.00 0.00 C ATOM 301 O TRP A 23 -8.960 -8.451 -18.472 1.00 0.00 O ATOM 302 CB TRP A 23 -9.682 -9.907 -21.474 1.00 0.00 C ATOM 303 CG TRP A 23 -10.707 -9.923 -22.597 1.00 0.00 C ATOM 304 CD1 TRP A 23 -12.059 -10.108 -22.474 1.00 0.00 C ATOM 305 CD2 TRP A 23 -10.461 -9.750 -24.006 1.00 0.00 C ATOM 306 NE1 TRP A 23 -12.653 -10.074 -23.711 1.00 0.00 N ATOM 307 CE2 TRP A 23 -11.697 -9.852 -24.663 1.00 0.00 C ATOM 308 CE3 TRP A 23 -9.314 -9.520 -24.772 1.00 0.00 C ATOM 309 CZ2 TRP A 23 -11.821 -9.739 -26.045 1.00 0.00 C ATOM 310 CZ3 TRP A 23 -9.435 -9.404 -26.143 1.00 0.00 C ATOM 311 CH2 TRP A 23 -10.682 -9.514 -26.768 1.00 0.00 C ATOM 0 H TRP A 23 -8.865 -8.003 -22.808 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.372 -8.073 -20.497 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -8.737 -10.292 -21.856 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -10.010 -10.589 -20.690 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -12.581 -10.259 -21.541 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.650 -10.195 -23.891 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.347 -9.434 -24.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -12.783 -9.826 -26.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.554 -9.226 -26.742 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -10.746 -9.419 -27.842 1.00 0.00 H new ATOM 322 N TYR A 24 -7.224 -8.969 -19.840 1.00 0.00 N ATOM 323 CA TYR A 24 -6.221 -9.070 -18.758 1.00 0.00 C ATOM 324 C TYR A 24 -5.932 -7.666 -18.175 1.00 0.00 C ATOM 325 O TYR A 24 -5.267 -6.856 -18.828 1.00 0.00 O ATOM 326 CB TYR A 24 -4.897 -9.693 -19.282 1.00 0.00 C ATOM 327 CG TYR A 24 -5.035 -11.091 -19.914 1.00 0.00 C ATOM 328 CD1 TYR A 24 -5.166 -12.239 -19.119 1.00 0.00 C ATOM 329 CD2 TYR A 24 -5.008 -11.267 -21.302 1.00 0.00 C ATOM 330 CE1 TYR A 24 -5.265 -13.500 -19.689 1.00 0.00 C ATOM 331 CE2 TYR A 24 -5.114 -12.527 -21.870 1.00 0.00 C ATOM 332 CZ TYR A 24 -5.238 -13.640 -21.061 1.00 0.00 C ATOM 333 OH TYR A 24 -5.325 -14.893 -21.630 1.00 0.00 O ATOM 0 H TYR A 24 -6.853 -9.171 -20.769 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.626 -9.716 -17.980 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.465 -9.019 -20.021 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.190 -9.754 -18.454 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.190 -12.140 -18.044 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.903 -10.404 -21.943 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.363 -14.372 -19.059 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.100 -12.639 -22.944 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.292 -14.812 -22.606 1.00 0.00 H new ATOM 343 N ARG A 25 -6.453 -7.372 -16.960 1.00 0.00 N ATOM 344 CA ARG A 25 -6.267 -6.052 -16.315 1.00 0.00 C ATOM 345 C ARG A 25 -4.866 -5.967 -15.655 1.00 0.00 C ATOM 346 O ARG A 25 -4.714 -6.034 -14.428 1.00 0.00 O ATOM 347 CB ARG A 25 -7.415 -5.752 -15.302 1.00 0.00 C ATOM 348 CG ARG A 25 -7.535 -4.253 -14.925 1.00 0.00 C ATOM 349 CD ARG A 25 -8.697 -3.952 -13.964 1.00 0.00 C ATOM 350 NE ARG A 25 -8.449 -4.458 -12.597 1.00 0.00 N ATOM 351 CZ ARG A 25 -9.126 -4.099 -11.522 1.00 0.00 C ATOM 352 NH1 ARG A 25 -10.144 -3.307 -11.604 1.00 0.00 N ATOM 353 NH2 ARG A 25 -8.779 -4.545 -10.360 1.00 0.00 N ATOM 0 H ARG A 25 -7.004 -8.030 -16.409 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.317 -5.279 -17.082 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.361 -6.088 -15.728 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.249 -6.334 -14.395 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.601 -3.926 -14.467 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.666 -3.667 -15.835 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.862 -2.875 -13.925 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.611 -4.400 -14.353 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.697 -5.136 -12.475 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.438 -2.947 -12.512 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.653 -3.042 -10.761 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.981 -5.175 -10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.303 -4.267 -9.530 1.00 0.00 H new ATOM 367 N ASN A 26 -3.849 -5.844 -16.521 1.00 0.00 N ATOM 368 CA ASN A 26 -2.430 -5.880 -16.152 1.00 0.00 C ATOM 369 C ASN A 26 -1.587 -5.444 -17.376 1.00 0.00 C ATOM 370 O ASN A 26 -2.008 -5.616 -18.526 1.00 0.00 O ATOM 371 CB ASN A 26 -2.029 -7.309 -15.677 1.00 0.00 C ATOM 372 CG ASN A 26 -0.590 -7.398 -15.158 1.00 0.00 C ATOM 373 OD1 ASN A 26 0.342 -7.675 -15.904 1.00 0.00 O ATOM 374 ND2 ASN A 26 -0.399 -7.156 -13.879 1.00 0.00 N ATOM 0 H ASN A 26 -3.997 -5.714 -17.522 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.244 -5.195 -15.325 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.712 -7.626 -14.889 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.152 -8.007 -16.505 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.542 -7.197 -13.487 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.192 -6.928 -13.279 1.00 0.00 H new ATOM 381 N GLY A 27 -0.409 -4.864 -17.115 1.00 0.00 N ATOM 382 CA GLY A 27 0.503 -4.411 -18.180 1.00 0.00 C ATOM 383 C GLY A 27 0.233 -2.968 -18.624 1.00 0.00 C ATOM 384 O GLY A 27 1.145 -2.135 -18.643 1.00 0.00 O ATOM 0 H GLY A 27 -0.061 -4.695 -16.171 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.532 -4.491 -17.829 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.407 -5.074 -19.040 1.00 0.00 H new ATOM 388 N PHE A 28 -1.039 -2.672 -18.992 1.00 0.00 N ATOM 389 CA PHE A 28 -1.477 -1.295 -19.356 1.00 0.00 C ATOM 390 C PHE A 28 -1.627 -0.386 -18.110 1.00 0.00 C ATOM 391 O PHE A 28 -1.920 0.809 -18.237 1.00 0.00 O ATOM 392 CB PHE A 28 -2.798 -1.321 -20.176 1.00 0.00 C ATOM 393 CG PHE A 28 -4.033 -1.898 -19.470 1.00 0.00 C ATOM 394 CD1 PHE A 28 -4.852 -1.089 -18.668 1.00 0.00 C ATOM 395 CD2 PHE A 28 -4.409 -3.232 -19.646 1.00 0.00 C ATOM 396 CE1 PHE A 28 -5.987 -1.598 -18.063 1.00 0.00 C ATOM 397 CE2 PHE A 28 -5.550 -3.731 -19.044 1.00 0.00 C ATOM 398 CZ PHE A 28 -6.335 -2.915 -18.256 1.00 0.00 C ATOM 0 H PHE A 28 -1.783 -3.368 -19.045 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.693 -0.869 -19.982 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.027 -0.301 -20.485 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.624 -1.898 -21.084 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.592 -0.051 -18.521 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.802 -3.881 -20.259 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.599 -0.963 -17.440 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.828 -4.764 -19.192 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.225 -3.311 -17.789 1.00 0.00 H new ATOM 408 N CYS A 29 -1.462 -0.998 -16.915 1.00 0.00 N ATOM 409 CA CYS A 29 -1.588 -0.334 -15.603 1.00 0.00 C ATOM 410 C CYS A 29 -0.670 0.908 -15.477 1.00 0.00 C ATOM 411 O CYS A 29 0.506 0.792 -15.111 1.00 0.00 O ATOM 412 CB CYS A 29 -1.282 -1.357 -14.481 1.00 0.00 C ATOM 413 SG CYS A 29 -2.375 -2.799 -14.492 1.00 0.00 S ATOM 0 H CYS A 29 -1.233 -1.989 -16.837 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.612 0.027 -15.506 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.250 -1.694 -14.580 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.363 -0.858 -13.515 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.046 -3.601 -13.523 1.00 0.00 H new ATOM 419 N GLN A 30 -1.224 2.089 -15.828 1.00 0.00 N ATOM 420 CA GLN A 30 -0.505 3.377 -15.760 1.00 0.00 C ATOM 421 C GLN A 30 -0.261 3.805 -14.289 1.00 0.00 C ATOM 422 O GLN A 30 -1.098 4.451 -13.653 1.00 0.00 O ATOM 423 CB GLN A 30 -1.280 4.476 -16.561 1.00 0.00 C ATOM 424 CG GLN A 30 -0.652 5.899 -16.546 1.00 0.00 C ATOM 425 CD GLN A 30 0.713 6.032 -17.254 1.00 0.00 C ATOM 426 OE1 GLN A 30 1.521 5.110 -17.304 1.00 0.00 O ATOM 427 NE2 GLN A 30 0.987 7.208 -17.789 1.00 0.00 N ATOM 0 H GLN A 30 -2.182 2.175 -16.166 1.00 0.00 H new ATOM 0 HA GLN A 30 0.474 3.251 -16.223 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.367 4.149 -17.597 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.292 4.543 -16.162 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.353 6.591 -17.013 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.536 6.215 -15.509 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.303 7.963 -17.738 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.882 7.361 -18.253 1.00 0.00 H new ATOM 436 N THR A 31 0.871 3.343 -13.748 1.00 0.00 N ATOM 437 CA THR A 31 1.395 3.748 -12.423 1.00 0.00 C ATOM 438 C THR A 31 2.767 4.445 -12.586 1.00 0.00 C ATOM 439 O THR A 31 3.239 5.155 -11.685 1.00 0.00 O ATOM 440 CB THR A 31 1.502 2.512 -11.464 1.00 0.00 C ATOM 441 OG1 THR A 31 2.091 2.888 -10.204 1.00 0.00 O ATOM 442 CG2 THR A 31 2.288 1.345 -12.086 1.00 0.00 C ATOM 0 H THR A 31 1.466 2.663 -14.222 1.00 0.00 H new ATOM 0 HA THR A 31 0.699 4.456 -11.973 1.00 0.00 H new ATOM 0 HB THR A 31 0.483 2.164 -11.295 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.742 2.309 -9.494 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.331 0.517 -11.378 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.791 1.017 -12.999 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.300 1.673 -12.322 1.00 0.00 H new ATOM 450 N ASP A 32 3.388 4.219 -13.759 1.00 0.00 N ATOM 451 CA ASP A 32 4.643 4.873 -14.176 1.00 0.00 C ATOM 452 C ASP A 32 4.448 6.396 -14.357 1.00 0.00 C ATOM 453 O ASP A 32 5.327 7.185 -14.002 1.00 0.00 O ATOM 454 CB ASP A 32 5.148 4.238 -15.499 1.00 0.00 C ATOM 455 CG ASP A 32 5.338 2.714 -15.384 1.00 0.00 C ATOM 456 OD1 ASP A 32 4.323 1.975 -15.371 1.00 0.00 O ATOM 457 OD2 ASP A 32 6.492 2.254 -15.298 1.00 0.00 O ATOM 0 H ASP A 32 3.026 3.567 -14.455 1.00 0.00 H new ATOM 0 HA ASP A 32 5.386 4.722 -13.393 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.437 4.454 -16.297 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.094 4.699 -15.782 1.00 0.00 H new ATOM 462 N VAL A 33 3.277 6.764 -14.929 1.00 0.00 N ATOM 463 CA VAL A 33 2.820 8.161 -15.135 1.00 0.00 C ATOM 464 C VAL A 33 3.761 8.956 -16.086 1.00 0.00 C ATOM 465 O VAL A 33 3.487 9.065 -17.287 1.00 0.00 O ATOM 466 CB VAL A 33 2.575 8.930 -13.770 1.00 0.00 C ATOM 467 CG1 VAL A 33 2.081 10.384 -14.003 1.00 0.00 C ATOM 468 CG2 VAL A 33 1.583 8.154 -12.858 1.00 0.00 C ATOM 0 H VAL A 33 2.604 6.078 -15.270 1.00 0.00 H new ATOM 0 HA VAL A 33 1.852 8.091 -15.631 1.00 0.00 H new ATOM 0 HB VAL A 33 3.537 8.987 -13.261 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.926 10.874 -13.042 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.828 10.935 -14.575 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.142 10.365 -14.556 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.435 8.706 -11.930 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.628 8.043 -13.371 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.990 7.168 -12.633 1.00 0.00 H new ATOM 478 N GLN A 34 4.885 9.456 -15.549 1.00 0.00 N ATOM 479 CA GLN A 34 5.848 10.298 -16.303 1.00 0.00 C ATOM 480 C GLN A 34 7.099 9.488 -16.739 1.00 0.00 C ATOM 481 O GLN A 34 7.996 10.050 -17.388 1.00 0.00 O ATOM 482 CB GLN A 34 6.261 11.561 -15.470 1.00 0.00 C ATOM 483 CG GLN A 34 7.051 11.309 -14.153 1.00 0.00 C ATOM 484 CD GLN A 34 6.224 10.724 -13.004 1.00 0.00 C ATOM 485 OE1 GLN A 34 6.161 9.518 -12.819 1.00 0.00 O ATOM 486 NE2 GLN A 34 5.567 11.574 -12.243 1.00 0.00 N ATOM 0 H GLN A 34 5.159 9.292 -14.580 1.00 0.00 H new ATOM 0 HA GLN A 34 5.346 10.637 -17.209 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.864 12.206 -16.109 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.355 12.114 -15.222 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.878 10.632 -14.367 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.488 12.252 -13.823 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.637 12.576 -12.419 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.988 11.230 -11.477 1.00 0.00 H new ATOM 495 N ASP A 35 7.142 8.176 -16.363 1.00 0.00 N ATOM 496 CA ASP A 35 8.244 7.231 -16.719 1.00 0.00 C ATOM 497 C ASP A 35 9.611 7.717 -16.115 1.00 0.00 C ATOM 498 O ASP A 35 9.603 8.537 -15.191 1.00 0.00 O ATOM 499 CB ASP A 35 8.273 7.053 -18.275 1.00 0.00 C ATOM 500 CG ASP A 35 9.034 5.807 -18.767 1.00 0.00 C ATOM 501 OD1 ASP A 35 8.507 4.683 -18.621 1.00 0.00 O ATOM 502 OD2 ASP A 35 10.164 5.947 -19.295 1.00 0.00 O ATOM 0 H ASP A 35 6.409 7.742 -15.802 1.00 0.00 H new ATOM 0 HA ASP A 35 8.065 6.250 -16.279 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.247 7.003 -18.640 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.727 7.938 -18.720 1.00 0.00 H new ATOM 507 N ARG A 36 10.757 7.166 -16.606 1.00 0.00 N ATOM 508 CA ARG A 36 12.143 7.583 -16.244 1.00 0.00 C ATOM 509 C ARG A 36 12.523 7.167 -14.799 1.00 0.00 C ATOM 510 O ARG A 36 13.368 6.291 -14.607 1.00 0.00 O ATOM 511 CB ARG A 36 12.377 9.102 -16.507 1.00 0.00 C ATOM 512 CG ARG A 36 12.245 9.509 -18.001 1.00 0.00 C ATOM 513 CD ARG A 36 12.486 11.010 -18.246 1.00 0.00 C ATOM 514 NE ARG A 36 13.830 11.444 -17.826 1.00 0.00 N ATOM 515 CZ ARG A 36 14.488 12.472 -18.312 1.00 0.00 C ATOM 516 NH1 ARG A 36 13.973 13.248 -19.218 1.00 0.00 N ATOM 517 NH2 ARG A 36 15.671 12.734 -17.870 1.00 0.00 N ATOM 0 H ARG A 36 10.742 6.401 -17.281 1.00 0.00 H new ATOM 0 HA ARG A 36 12.821 7.042 -16.904 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.662 9.677 -15.919 1.00 0.00 H new ATOM 0 HB3 ARG A 36 13.372 9.373 -16.153 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.957 8.932 -18.592 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.249 9.245 -18.356 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.353 11.227 -19.306 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.736 11.588 -17.705 1.00 0.00 H new ATOM 0 HE ARG A 36 14.289 10.900 -17.095 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.033 13.066 -19.571 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.508 14.039 -19.576 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.088 12.145 -17.149 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.189 13.530 -18.241 1.00 0.00 H new ATOM 531 N GLY A 37 11.863 7.775 -13.798 1.00 0.00 N ATOM 532 CA GLY A 37 12.025 7.382 -12.389 1.00 0.00 C ATOM 533 C GLY A 37 11.190 6.154 -11.976 1.00 0.00 C ATOM 534 O GLY A 37 11.020 5.907 -10.777 1.00 0.00 O ATOM 0 H GLY A 37 11.209 8.545 -13.941 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.078 7.172 -12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.750 8.225 -11.754 1.00 0.00 H new ATOM 538 N SER A 38 10.658 5.411 -12.979 1.00 0.00 N ATOM 539 CA SER A 38 9.891 4.144 -12.798 1.00 0.00 C ATOM 540 C SER A 38 8.537 4.375 -12.066 1.00 0.00 C ATOM 541 O SER A 38 7.496 4.462 -12.722 1.00 0.00 O ATOM 542 CB SER A 38 10.740 3.046 -12.089 1.00 0.00 C ATOM 543 OG SER A 38 11.928 2.746 -12.810 1.00 0.00 O ATOM 0 H SER A 38 10.750 5.679 -13.959 1.00 0.00 H new ATOM 0 HA SER A 38 9.656 3.779 -13.798 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.000 3.380 -11.085 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.143 2.140 -11.979 1.00 0.00 H new ATOM 0 HG SER A 38 12.434 2.055 -12.334 1.00 0.00 H new ATOM 549 N HIS A 39 8.577 4.492 -10.707 1.00 0.00 N ATOM 550 CA HIS A 39 7.379 4.720 -9.843 1.00 0.00 C ATOM 551 C HIS A 39 6.289 3.623 -10.029 1.00 0.00 C ATOM 552 O HIS A 39 5.092 3.875 -9.812 1.00 0.00 O ATOM 553 CB HIS A 39 6.773 6.138 -10.100 1.00 0.00 C ATOM 554 CG HIS A 39 7.778 7.262 -10.088 1.00 0.00 C ATOM 555 ND1 HIS A 39 8.043 8.036 -11.198 1.00 0.00 N ATOM 556 CD2 HIS A 39 8.571 7.751 -9.101 1.00 0.00 C ATOM 557 CE1 HIS A 39 8.948 8.942 -10.900 1.00 0.00 C ATOM 558 NE2 HIS A 39 9.290 8.791 -9.638 1.00 0.00 N ATOM 0 H HIS A 39 9.446 4.430 -10.177 1.00 0.00 H new ATOM 0 HA HIS A 39 7.722 4.660 -8.810 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.265 6.132 -11.065 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.015 6.338 -9.342 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.604 7.923 -12.112 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.626 7.390 -8.085 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.344 9.685 -11.577 1.00 0.00 H new ATOM 567 N THR A 40 6.712 2.383 -10.342 1.00 0.00 N ATOM 568 CA THR A 40 5.783 1.324 -10.796 1.00 0.00 C ATOM 569 C THR A 40 5.300 0.508 -9.579 1.00 0.00 C ATOM 570 O THR A 40 6.010 -0.375 -9.074 1.00 0.00 O ATOM 571 CB THR A 40 6.473 0.377 -11.849 1.00 0.00 C ATOM 572 OG1 THR A 40 7.356 1.140 -12.695 1.00 0.00 O ATOM 573 CG2 THR A 40 5.449 -0.374 -12.729 1.00 0.00 C ATOM 0 H THR A 40 7.687 2.088 -10.290 1.00 0.00 H new ATOM 0 HA THR A 40 4.928 1.795 -11.281 1.00 0.00 H new ATOM 0 HB THR A 40 7.036 -0.367 -11.286 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.882 1.400 -13.513 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.977 -1.013 -13.437 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.806 -0.987 -12.097 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.840 0.347 -13.275 1.00 0.00 H new ATOM 581 N VAL A 41 4.090 0.857 -9.096 1.00 0.00 N ATOM 582 CA VAL A 41 3.481 0.298 -7.872 1.00 0.00 C ATOM 583 C VAL A 41 1.979 0.024 -8.101 1.00 0.00 C ATOM 584 O VAL A 41 1.149 0.955 -8.073 1.00 0.00 O ATOM 585 CB VAL A 41 3.623 1.271 -6.630 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.104 0.596 -5.327 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.074 1.786 -6.453 1.00 0.00 C ATOM 0 H VAL A 41 3.497 1.549 -9.555 1.00 0.00 H new ATOM 0 HA VAL A 41 4.015 -0.627 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 41 2.999 2.141 -6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.214 1.287 -4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.053 0.335 -5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.682 -0.307 -5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.122 2.449 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.744 0.940 -6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.378 2.331 -7.346 1.00 0.00 H new ATOM 597 N CYS A 42 1.630 -1.239 -8.357 1.00 0.00 N ATOM 598 CA CYS A 42 0.233 -1.690 -8.317 1.00 0.00 C ATOM 599 C CYS A 42 -0.001 -2.420 -6.985 1.00 0.00 C ATOM 600 O CYS A 42 0.381 -3.578 -6.812 1.00 0.00 O ATOM 601 CB CYS A 42 -0.073 -2.600 -9.524 1.00 0.00 C ATOM 602 SG CYS A 42 0.262 -1.804 -11.112 1.00 0.00 S ATOM 0 H CYS A 42 2.298 -1.972 -8.596 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.443 -0.837 -8.381 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.523 -3.509 -9.447 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.120 -2.901 -9.489 1.00 0.00 H new ATOM 0 HG CYS A 42 1.542 -1.808 -11.338 1.00 0.00 H new ATOM 608 N ALA A 43 -0.669 -1.732 -6.062 1.00 0.00 N ATOM 609 CA ALA A 43 -0.925 -2.213 -4.695 1.00 0.00 C ATOM 610 C ALA A 43 -2.390 -1.933 -4.372 1.00 0.00 C ATOM 611 O ALA A 43 -2.955 -0.947 -4.865 1.00 0.00 O ATOM 612 CB ALA A 43 0.028 -1.524 -3.687 1.00 0.00 C ATOM 0 H ALA A 43 -1.057 -0.806 -6.241 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.734 -3.283 -4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.177 -1.893 -2.682 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.061 -1.748 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.129 -0.446 -3.717 1.00 0.00 H new ATOM 618 N GLU A 44 -3.023 -2.786 -3.569 1.00 0.00 N ATOM 619 CA GLU A 44 -4.482 -2.719 -3.384 1.00 0.00 C ATOM 620 C GLU A 44 -4.846 -2.477 -1.912 1.00 0.00 C ATOM 621 O GLU A 44 -4.663 -3.348 -1.056 1.00 0.00 O ATOM 622 CB GLU A 44 -5.136 -4.007 -3.932 1.00 0.00 C ATOM 623 CG GLU A 44 -6.621 -3.851 -4.227 1.00 0.00 C ATOM 624 CD GLU A 44 -7.230 -5.080 -4.924 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.467 -6.101 -4.251 1.00 0.00 O ATOM 626 OE2 GLU A 44 -7.434 -5.043 -6.157 1.00 0.00 O ATOM 0 H GLU A 44 -2.561 -3.525 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.871 -1.870 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.621 -4.307 -4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.999 -4.811 -3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.154 -3.669 -3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.770 -2.973 -4.856 1.00 0.00 H new ATOM 633 N MET A 45 -5.345 -1.265 -1.644 1.00 0.00 N ATOM 634 CA MET A 45 -5.757 -0.817 -0.303 1.00 0.00 C ATOM 635 C MET A 45 -7.270 -1.058 -0.088 1.00 0.00 C ATOM 636 O MET A 45 -8.053 -1.036 -1.049 1.00 0.00 O ATOM 637 CB MET A 45 -5.429 0.696 -0.153 1.00 0.00 C ATOM 638 CG MET A 45 -4.013 1.057 -0.619 1.00 0.00 C ATOM 639 SD MET A 45 -2.714 0.246 0.329 1.00 0.00 S ATOM 640 CE MET A 45 -2.806 1.148 1.869 1.00 0.00 C ATOM 0 H MET A 45 -5.477 -0.554 -2.363 1.00 0.00 H new ATOM 0 HA MET A 45 -5.214 -1.389 0.450 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.152 1.276 -0.726 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.545 0.984 0.892 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.906 0.789 -1.670 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.881 2.137 -0.551 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.909 0.956 2.457 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.882 2.215 1.662 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.683 0.824 2.429 1.00 0.00 H new ATOM 650 N THR A 46 -7.669 -1.280 1.177 1.00 0.00 N ATOM 651 CA THR A 46 -9.097 -1.351 1.567 1.00 0.00 C ATOM 652 C THR A 46 -9.643 0.070 1.781 1.00 0.00 C ATOM 653 O THR A 46 -8.870 0.987 2.079 1.00 0.00 O ATOM 654 CB THR A 46 -9.307 -2.172 2.883 1.00 0.00 C ATOM 655 OG1 THR A 46 -8.618 -1.531 3.976 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.817 -3.628 2.738 1.00 0.00 C ATOM 0 H THR A 46 -7.022 -1.415 1.954 1.00 0.00 H new ATOM 0 HA THR A 46 -9.630 -1.855 0.761 1.00 0.00 H new ATOM 0 HB THR A 46 -10.377 -2.201 3.087 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.754 -2.048 4.797 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.981 -4.162 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.370 -4.120 1.938 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.753 -3.632 2.500 1.00 0.00 H new ATOM 664 N GLU A 47 -10.969 0.252 1.648 1.00 0.00 N ATOM 665 CA GLU A 47 -11.618 1.576 1.801 1.00 0.00 C ATOM 666 C GLU A 47 -11.363 2.189 3.199 1.00 0.00 C ATOM 667 O GLU A 47 -11.366 3.400 3.344 1.00 0.00 O ATOM 668 CB GLU A 47 -13.131 1.514 1.464 1.00 0.00 C ATOM 669 CG GLU A 47 -13.754 2.900 1.157 1.00 0.00 C ATOM 670 CD GLU A 47 -15.186 2.830 0.592 1.00 0.00 C ATOM 671 OE1 GLU A 47 -16.099 2.396 1.320 1.00 0.00 O ATOM 672 OE2 GLU A 47 -15.400 3.202 -0.585 1.00 0.00 O ATOM 0 H GLU A 47 -11.620 -0.504 1.434 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.154 2.244 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.277 0.860 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.663 1.063 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.763 3.494 2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.118 3.423 0.443 1.00 0.00 H new ATOM 679 N GLU A 48 -11.144 1.330 4.212 1.00 0.00 N ATOM 680 CA GLU A 48 -10.693 1.741 5.561 1.00 0.00 C ATOM 681 C GLU A 48 -9.461 2.706 5.494 1.00 0.00 C ATOM 682 O GLU A 48 -9.376 3.676 6.255 1.00 0.00 O ATOM 683 CB GLU A 48 -10.358 0.456 6.365 1.00 0.00 C ATOM 684 CG GLU A 48 -9.766 0.672 7.769 1.00 0.00 C ATOM 685 CD GLU A 48 -10.685 1.442 8.736 1.00 0.00 C ATOM 686 OE1 GLU A 48 -11.798 0.952 9.031 1.00 0.00 O ATOM 687 OE2 GLU A 48 -10.300 2.528 9.218 1.00 0.00 O ATOM 0 H GLU A 48 -11.275 0.323 4.120 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.487 2.298 6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.269 -0.134 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.654 -0.139 5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.533 -0.299 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.825 1.213 7.674 1.00 0.00 H new ATOM 694 N PHE A 49 -8.530 2.447 4.551 1.00 0.00 N ATOM 695 CA PHE A 49 -7.408 3.366 4.264 1.00 0.00 C ATOM 696 C PHE A 49 -7.872 4.633 3.497 1.00 0.00 C ATOM 697 O PHE A 49 -7.558 5.745 3.906 1.00 0.00 O ATOM 698 CB PHE A 49 -6.274 2.656 3.473 1.00 0.00 C ATOM 699 CG PHE A 49 -5.168 3.625 3.033 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.294 4.184 3.970 1.00 0.00 C ATOM 701 CD2 PHE A 49 -5.036 4.022 1.696 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.326 5.091 3.585 1.00 0.00 C ATOM 703 CE2 PHE A 49 -4.071 4.934 1.317 1.00 0.00 C ATOM 704 CZ PHE A 49 -3.216 5.466 2.261 1.00 0.00 C ATOM 0 H PHE A 49 -8.534 1.606 3.974 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.015 3.679 5.231 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.840 1.871 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.698 2.170 2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.377 3.903 5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.699 3.608 0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.654 5.507 4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.985 5.231 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.460 6.177 1.963 1.00 0.00 H new ATOM 714 N LEU A 50 -8.582 4.453 2.364 1.00 0.00 N ATOM 715 CA LEU A 50 -8.910 5.581 1.437 1.00 0.00 C ATOM 716 C LEU A 50 -9.886 6.612 2.078 1.00 0.00 C ATOM 717 O LEU A 50 -9.892 7.785 1.700 1.00 0.00 O ATOM 718 CB LEU A 50 -9.435 5.062 0.059 1.00 0.00 C ATOM 719 CG LEU A 50 -8.407 4.263 -0.820 1.00 0.00 C ATOM 720 CD1 LEU A 50 -8.262 2.812 -0.361 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.762 4.321 -2.320 1.00 0.00 C ATOM 0 H LEU A 50 -8.942 3.548 2.061 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.977 6.113 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.299 4.423 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.786 5.918 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.444 4.754 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.541 2.299 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.914 2.790 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.227 2.311 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.025 3.756 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.751 3.890 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.761 5.358 -2.654 1.00 0.00 H new ATOM 733 N LEU A 51 -10.691 6.151 3.056 1.00 0.00 N ATOM 734 CA LEU A 51 -11.540 7.019 3.905 1.00 0.00 C ATOM 735 C LEU A 51 -10.678 7.794 4.933 1.00 0.00 C ATOM 736 O LEU A 51 -10.924 8.969 5.183 1.00 0.00 O ATOM 737 CB LEU A 51 -12.636 6.187 4.628 1.00 0.00 C ATOM 738 CG LEU A 51 -13.727 5.549 3.714 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.721 4.694 4.532 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.460 6.623 2.880 1.00 0.00 C ATOM 0 H LEU A 51 -10.773 5.160 3.283 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.035 7.743 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.148 5.389 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.131 6.830 5.356 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.220 4.882 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.467 4.265 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.182 3.892 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.216 5.321 5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.214 6.146 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.942 7.336 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.742 7.146 2.248 1.00 0.00 H new ATOM 752 N PHE A 52 -9.670 7.117 5.520 1.00 0.00 N ATOM 753 CA PHE A 52 -8.689 7.750 6.445 1.00 0.00 C ATOM 754 C PHE A 52 -7.899 8.879 5.729 1.00 0.00 C ATOM 755 O PHE A 52 -7.759 9.987 6.253 1.00 0.00 O ATOM 756 CB PHE A 52 -7.724 6.667 7.007 1.00 0.00 C ATOM 757 CG PHE A 52 -6.557 7.203 7.842 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.770 7.731 9.117 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.245 7.177 7.352 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.717 8.213 9.870 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.193 7.660 8.110 1.00 0.00 C ATOM 762 CZ PHE A 52 -4.429 8.177 9.368 1.00 0.00 C ATOM 0 H PHE A 52 -9.508 6.121 5.372 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.231 8.204 7.275 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.300 5.973 7.620 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.320 6.095 6.172 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.772 7.763 9.520 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.052 6.774 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.900 8.619 10.854 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.187 7.633 7.717 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.608 8.553 9.960 1.00 0.00 H new ATOM 772 N SER A 53 -7.414 8.576 4.516 1.00 0.00 N ATOM 773 CA SER A 53 -6.630 9.520 3.687 1.00 0.00 C ATOM 774 C SER A 53 -7.464 10.753 3.278 1.00 0.00 C ATOM 775 O SER A 53 -6.954 11.876 3.248 1.00 0.00 O ATOM 776 CB SER A 53 -6.101 8.797 2.422 1.00 0.00 C ATOM 777 OG SER A 53 -5.360 9.669 1.577 1.00 0.00 O ATOM 0 H SER A 53 -7.552 7.667 4.075 1.00 0.00 H new ATOM 0 HA SER A 53 -5.791 9.872 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.470 7.960 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.941 8.381 1.865 1.00 0.00 H new ATOM 0 HG SER A 53 -5.044 9.174 0.793 1.00 0.00 H new ATOM 783 N ARG A 54 -8.755 10.534 2.952 1.00 0.00 N ATOM 784 CA ARG A 54 -9.642 11.622 2.485 1.00 0.00 C ATOM 785 C ARG A 54 -10.183 12.514 3.634 1.00 0.00 C ATOM 786 O ARG A 54 -10.211 13.745 3.515 1.00 0.00 O ATOM 787 CB ARG A 54 -10.800 11.073 1.600 1.00 0.00 C ATOM 788 CG ARG A 54 -11.979 10.391 2.333 1.00 0.00 C ATOM 789 CD ARG A 54 -13.111 9.971 1.375 1.00 0.00 C ATOM 790 NE ARG A 54 -13.541 11.088 0.520 1.00 0.00 N ATOM 791 CZ ARG A 54 -14.739 11.269 0.021 1.00 0.00 C ATOM 792 NH1 ARG A 54 -15.738 10.506 0.352 1.00 0.00 N ATOM 793 NH2 ARG A 54 -14.928 12.255 -0.786 1.00 0.00 N ATOM 0 H ARG A 54 -9.205 9.620 3.003 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.020 12.271 1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.199 11.900 1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.378 10.356 0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.612 9.512 2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.378 11.073 3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.772 9.144 0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.960 9.607 1.953 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.837 11.791 0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.600 9.744 1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.660 10.669 -0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.154 12.875 -1.024 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.852 12.416 -1.187 1.00 0.00 H new ATOM 807 N ASP A 55 -10.602 11.876 4.741 1.00 0.00 N ATOM 808 CA ASP A 55 -11.328 12.546 5.847 1.00 0.00 C ATOM 809 C ASP A 55 -10.353 13.257 6.818 1.00 0.00 C ATOM 810 O ASP A 55 -10.672 14.309 7.375 1.00 0.00 O ATOM 811 CB ASP A 55 -12.200 11.494 6.592 1.00 0.00 C ATOM 812 CG ASP A 55 -13.148 12.104 7.633 1.00 0.00 C ATOM 813 OD1 ASP A 55 -14.127 12.772 7.227 1.00 0.00 O ATOM 814 OD2 ASP A 55 -12.937 11.909 8.849 1.00 0.00 O ATOM 0 H ASP A 55 -10.449 10.880 4.899 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.974 13.319 5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.787 10.938 5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -11.545 10.777 7.086 1.00 0.00 H new ATOM 819 N ARG A 56 -9.149 12.685 6.986 1.00 0.00 N ATOM 820 CA ARG A 56 -8.112 13.245 7.883 1.00 0.00 C ATOM 821 C ARG A 56 -7.094 14.081 7.071 1.00 0.00 C ATOM 822 O ARG A 56 -6.580 15.096 7.554 1.00 0.00 O ATOM 823 CB ARG A 56 -7.401 12.086 8.653 1.00 0.00 C ATOM 824 CG ARG A 56 -6.422 12.524 9.793 1.00 0.00 C ATOM 825 CD ARG A 56 -4.941 12.173 9.512 1.00 0.00 C ATOM 826 NE ARG A 56 -4.389 12.896 8.343 1.00 0.00 N ATOM 827 CZ ARG A 56 -3.536 12.400 7.464 1.00 0.00 C ATOM 828 NH1 ARG A 56 -3.167 11.156 7.501 1.00 0.00 N ATOM 829 NH2 ARG A 56 -3.083 13.157 6.521 1.00 0.00 N ATOM 0 H ARG A 56 -8.864 11.829 6.511 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.583 13.906 8.610 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.165 11.440 9.085 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.845 11.485 7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.509 13.600 9.941 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.728 12.049 10.725 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.344 12.408 10.393 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.853 11.100 9.344 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.693 13.860 8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.537 10.535 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.507 10.799 6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.384 14.130 6.459 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.424 12.782 5.838 1.00 0.00 H new ATOM 843 N GLY A 57 -6.812 13.636 5.828 1.00 0.00 N ATOM 844 CA GLY A 57 -5.844 14.309 4.945 1.00 0.00 C ATOM 845 C GLY A 57 -6.470 15.394 4.059 1.00 0.00 C ATOM 846 O GLY A 57 -6.812 16.472 4.553 1.00 0.00 O ATOM 0 H GLY A 57 -7.245 12.810 5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.060 14.758 5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.366 13.564 4.309 1.00 0.00 H new ATOM 850 N ASN A 58 -6.636 15.104 2.752 1.00 0.00 N ATOM 851 CA ASN A 58 -7.122 16.103 1.757 1.00 0.00 C ATOM 852 C ASN A 58 -7.652 15.422 0.466 1.00 0.00 C ATOM 853 O ASN A 58 -7.718 16.055 -0.600 1.00 0.00 O ATOM 854 CB ASN A 58 -5.987 17.120 1.432 1.00 0.00 C ATOM 855 CG ASN A 58 -4.780 16.493 0.723 1.00 0.00 C ATOM 856 OD1 ASN A 58 -3.881 15.955 1.356 1.00 0.00 O ATOM 857 ND2 ASN A 58 -4.749 16.575 -0.593 1.00 0.00 N ATOM 0 H ASN A 58 -6.442 14.186 2.353 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.962 16.640 2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.392 17.915 0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.651 17.584 2.359 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.961 16.184 -1.110 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.513 17.029 -1.094 1.00 0.00 H new ATOM 864 N ASP A 59 -8.057 14.146 0.615 1.00 0.00 N ATOM 865 CA ASP A 59 -8.569 13.266 -0.472 1.00 0.00 C ATOM 866 C ASP A 59 -7.438 12.742 -1.400 1.00 0.00 C ATOM 867 O ASP A 59 -6.252 13.017 -1.178 1.00 0.00 O ATOM 868 CB ASP A 59 -9.754 13.917 -1.273 1.00 0.00 C ATOM 869 CG ASP A 59 -10.971 12.976 -1.434 1.00 0.00 C ATOM 870 OD1 ASP A 59 -10.830 11.890 -2.046 1.00 0.00 O ATOM 871 OD2 ASP A 59 -12.070 13.305 -0.925 1.00 0.00 O ATOM 0 H ASP A 59 -8.039 13.677 1.521 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.986 12.389 0.023 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.071 14.827 -0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.398 14.212 -2.260 1.00 0.00 H new ATOM 876 N LEU A 60 -7.859 11.968 -2.422 1.00 0.00 N ATOM 877 CA LEU A 60 -6.998 11.264 -3.399 1.00 0.00 C ATOM 878 C LEU A 60 -7.920 10.424 -4.324 1.00 0.00 C ATOM 879 O LEU A 60 -7.772 10.415 -5.555 1.00 0.00 O ATOM 880 CB LEU A 60 -5.940 10.350 -2.668 1.00 0.00 C ATOM 881 CG LEU A 60 -4.814 9.655 -3.526 1.00 0.00 C ATOM 882 CD1 LEU A 60 -5.320 8.406 -4.289 1.00 0.00 C ATOM 883 CD2 LEU A 60 -4.128 10.662 -4.478 1.00 0.00 C ATOM 0 H LEU A 60 -8.851 11.809 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.433 11.985 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.448 10.957 -1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.487 9.566 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.066 9.297 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.500 7.972 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.694 7.671 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.123 8.695 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.357 10.151 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.869 11.084 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.673 11.463 -3.895 1.00 0.00 H new ATOM 895 N MET A 61 -8.874 9.724 -3.678 1.00 0.00 N ATOM 896 CA MET A 61 -9.759 8.729 -4.320 1.00 0.00 C ATOM 897 C MET A 61 -10.790 9.383 -5.286 1.00 0.00 C ATOM 898 O MET A 61 -11.052 8.850 -6.364 1.00 0.00 O ATOM 899 CB MET A 61 -10.478 7.912 -3.202 1.00 0.00 C ATOM 900 CG MET A 61 -11.463 6.833 -3.690 1.00 0.00 C ATOM 901 SD MET A 61 -12.107 5.803 -2.341 1.00 0.00 S ATOM 902 CE MET A 61 -12.874 7.012 -1.256 1.00 0.00 C ATOM 0 H MET A 61 -9.055 9.835 -2.680 1.00 0.00 H new ATOM 0 HA MET A 61 -9.150 8.067 -4.936 1.00 0.00 H new ATOM 0 HB2 MET A 61 -9.719 7.432 -2.584 1.00 0.00 H new ATOM 0 HB3 MET A 61 -11.019 8.608 -2.560 1.00 0.00 H new ATOM 0 HG2 MET A 61 -12.296 7.314 -4.203 1.00 0.00 H new ATOM 0 HG3 MET A 61 -10.964 6.196 -4.420 1.00 0.00 H new ATOM 0 HE1 MET A 61 -13.793 6.597 -0.841 1.00 0.00 H new ATOM 0 HE2 MET A 61 -12.189 7.260 -0.445 1.00 0.00 H new ATOM 0 HE3 MET A 61 -13.107 7.914 -1.823 1.00 0.00 H new ATOM 912 N THR A 62 -11.358 10.539 -4.892 1.00 0.00 N ATOM 913 CA THR A 62 -12.402 11.242 -5.692 1.00 0.00 C ATOM 914 C THR A 62 -11.778 12.361 -6.585 1.00 0.00 C ATOM 915 O THR A 62 -10.722 12.905 -6.241 1.00 0.00 O ATOM 916 CB THR A 62 -13.508 11.854 -4.755 1.00 0.00 C ATOM 917 OG1 THR A 62 -12.959 12.905 -3.951 1.00 0.00 O ATOM 918 CG2 THR A 62 -14.135 10.782 -3.834 1.00 0.00 C ATOM 0 H THR A 62 -11.116 11.014 -4.022 1.00 0.00 H new ATOM 0 HA THR A 62 -12.865 10.502 -6.345 1.00 0.00 H new ATOM 0 HB THR A 62 -14.290 12.255 -5.400 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.660 13.276 -3.375 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.894 11.244 -3.202 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.594 10.003 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.359 10.342 -3.207 1.00 0.00 H new ATOM 926 N PRO A 63 -12.426 12.727 -7.757 1.00 0.00 N ATOM 927 CA PRO A 63 -11.891 13.761 -8.710 1.00 0.00 C ATOM 928 C PRO A 63 -12.092 15.246 -8.264 1.00 0.00 C ATOM 929 O PRO A 63 -12.347 16.122 -9.105 1.00 0.00 O ATOM 930 CB PRO A 63 -12.687 13.441 -10.004 1.00 0.00 C ATOM 931 CG PRO A 63 -14.013 12.964 -9.503 1.00 0.00 C ATOM 932 CD PRO A 63 -13.703 12.139 -8.268 1.00 0.00 C ATOM 0 HA PRO A 63 -10.807 13.700 -8.803 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.793 14.323 -10.636 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.188 12.678 -10.602 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.667 13.802 -9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.526 12.366 -10.256 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.501 12.211 -7.528 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -13.588 11.083 -8.511 1.00 0.00 H new ATOM 940 N ARG A 64 -11.922 15.524 -6.956 1.00 0.00 N ATOM 941 CA ARG A 64 -11.957 16.897 -6.387 1.00 0.00 C ATOM 942 C ARG A 64 -10.924 17.846 -7.069 1.00 0.00 C ATOM 943 O ARG A 64 -9.862 17.377 -7.474 1.00 0.00 O ATOM 944 CB ARG A 64 -11.671 16.809 -4.865 1.00 0.00 C ATOM 945 CG ARG A 64 -12.839 16.255 -4.024 1.00 0.00 C ATOM 946 CD ARG A 64 -12.498 16.183 -2.529 1.00 0.00 C ATOM 947 NE ARG A 64 -11.980 17.460 -2.006 1.00 0.00 N ATOM 948 CZ ARG A 64 -11.560 17.671 -0.780 1.00 0.00 C ATOM 949 NH1 ARG A 64 -11.587 16.735 0.124 1.00 0.00 N ATOM 950 NH2 ARG A 64 -11.097 18.837 -0.465 1.00 0.00 N ATOM 0 H ARG A 64 -11.755 14.801 -6.256 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.945 17.319 -6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.796 16.178 -4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.416 17.803 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.716 16.887 -4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.102 15.260 -4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.390 15.900 -1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.757 15.400 -2.366 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.945 18.248 -2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.941 15.808 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.254 16.928 1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.062 19.578 -1.165 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.767 19.016 0.484 1.00 0.00 H new ATOM 964 N PRO A 65 -11.190 19.205 -7.148 1.00 0.00 N ATOM 965 CA PRO A 65 -10.340 20.179 -7.932 1.00 0.00 C ATOM 966 C PRO A 65 -8.859 20.255 -7.467 1.00 0.00 C ATOM 967 O PRO A 65 -8.001 20.812 -8.164 1.00 0.00 O ATOM 968 CB PRO A 65 -11.075 21.538 -7.720 1.00 0.00 C ATOM 969 CG PRO A 65 -11.845 21.351 -6.443 1.00 0.00 C ATOM 970 CD PRO A 65 -12.313 19.912 -6.467 1.00 0.00 C ATOM 0 HA PRO A 65 -10.252 19.877 -8.976 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -10.368 22.364 -7.641 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.738 21.765 -8.554 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.218 21.546 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.689 22.038 -6.388 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.482 19.526 -5.462 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.250 19.801 -7.013 1.00 0.00 H new ATOM 978 N GLU A 66 -8.588 19.691 -6.283 1.00 0.00 N ATOM 979 CA GLU A 66 -7.229 19.551 -5.732 1.00 0.00 C ATOM 980 C GLU A 66 -6.343 18.634 -6.623 1.00 0.00 C ATOM 981 O GLU A 66 -5.184 18.959 -6.905 1.00 0.00 O ATOM 982 CB GLU A 66 -7.300 18.970 -4.287 1.00 0.00 C ATOM 983 CG GLU A 66 -7.864 19.926 -3.211 1.00 0.00 C ATOM 984 CD GLU A 66 -9.325 20.358 -3.445 1.00 0.00 C ATOM 985 OE1 GLU A 66 -10.228 19.504 -3.347 1.00 0.00 O ATOM 986 OE2 GLU A 66 -9.579 21.552 -3.723 1.00 0.00 O ATOM 0 H GLU A 66 -9.313 19.314 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.774 20.541 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.914 18.070 -4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.297 18.665 -3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.793 19.440 -2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.237 20.817 -3.169 1.00 0.00 H new ATOM 993 N PHE A 67 -6.906 17.484 -7.046 1.00 0.00 N ATOM 994 CA PHE A 67 -6.190 16.461 -7.867 1.00 0.00 C ATOM 995 C PHE A 67 -6.676 16.449 -9.339 1.00 0.00 C ATOM 996 O PHE A 67 -5.908 16.111 -10.247 1.00 0.00 O ATOM 997 CB PHE A 67 -6.389 15.056 -7.239 1.00 0.00 C ATOM 998 CG PHE A 67 -5.787 14.934 -5.844 1.00 0.00 C ATOM 999 CD1 PHE A 67 -6.518 15.302 -4.713 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -4.480 14.481 -5.666 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -5.963 15.219 -3.456 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -3.927 14.404 -4.405 1.00 0.00 C ATOM 1003 CZ PHE A 67 -4.668 14.772 -3.301 1.00 0.00 C ATOM 0 H PHE A 67 -7.870 17.229 -6.833 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.132 16.724 -7.872 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.455 14.835 -7.189 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.938 14.307 -7.890 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -7.532 15.656 -4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.895 14.187 -6.525 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.543 15.504 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.912 14.055 -4.282 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.233 14.710 -2.314 1.00 0.00 H new ATOM 1013 N ASN A 68 -7.959 16.820 -9.531 1.00 0.00 N ATOM 1014 CA ASN A 68 -8.676 16.823 -10.837 1.00 0.00 C ATOM 1015 C ASN A 68 -8.904 15.387 -11.400 1.00 0.00 C ATOM 1016 O ASN A 68 -10.045 14.931 -11.499 1.00 0.00 O ATOM 1017 CB ASN A 68 -7.976 17.747 -11.874 1.00 0.00 C ATOM 1018 CG ASN A 68 -7.906 19.204 -11.402 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -8.802 19.995 -11.660 1.00 0.00 O ATOM 1020 ND2 ASN A 68 -6.850 19.570 -10.699 1.00 0.00 N ATOM 0 H ASN A 68 -8.549 17.137 -8.761 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.666 17.238 -10.646 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.967 17.380 -12.062 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.514 17.700 -12.821 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.770 20.529 -10.360 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.114 18.894 -10.495 1.00 0.00 H new ATOM 1027 N PHE A 69 -7.816 14.704 -11.790 1.00 0.00 N ATOM 1028 CA PHE A 69 -7.854 13.311 -12.306 1.00 0.00 C ATOM 1029 C PHE A 69 -7.334 12.313 -11.229 1.00 0.00 C ATOM 1030 O PHE A 69 -6.141 12.328 -10.898 1.00 0.00 O ATOM 1031 CB PHE A 69 -7.002 13.219 -13.602 1.00 0.00 C ATOM 1032 CG PHE A 69 -7.502 14.138 -14.721 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -8.517 13.724 -15.586 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -6.963 15.415 -14.903 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -8.973 14.554 -16.596 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -7.422 16.243 -15.912 1.00 0.00 C ATOM 1037 CZ PHE A 69 -8.425 15.812 -16.758 1.00 0.00 C ATOM 0 H PHE A 69 -6.876 15.098 -11.759 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.884 13.041 -12.538 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.968 13.472 -13.368 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.005 12.189 -13.958 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.952 12.743 -15.466 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.177 15.760 -14.247 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.758 14.218 -17.258 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.996 17.227 -16.038 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.781 16.458 -17.546 1.00 0.00 H new ATOM 1047 N PRO A 70 -8.218 11.443 -10.645 1.00 0.00 N ATOM 1048 CA PRO A 70 -7.816 10.463 -9.601 1.00 0.00 C ATOM 1049 C PRO A 70 -7.214 9.146 -10.182 1.00 0.00 C ATOM 1050 O PRO A 70 -7.234 8.917 -11.398 1.00 0.00 O ATOM 1051 CB PRO A 70 -9.155 10.206 -8.876 1.00 0.00 C ATOM 1052 CG PRO A 70 -10.181 10.285 -9.972 1.00 0.00 C ATOM 1053 CD PRO A 70 -9.678 11.347 -10.942 1.00 0.00 C ATOM 0 HA PRO A 70 -7.018 10.836 -8.959 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.165 9.231 -8.389 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.339 10.951 -8.102 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.294 9.323 -10.471 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.159 10.553 -9.572 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.857 11.059 -11.978 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -10.181 12.301 -10.785 1.00 0.00 H new ATOM 1061 N GLY A 71 -6.680 8.290 -9.283 1.00 0.00 N ATOM 1062 CA GLY A 71 -6.094 6.992 -9.672 1.00 0.00 C ATOM 1063 C GLY A 71 -7.050 5.815 -9.453 1.00 0.00 C ATOM 1064 O GLY A 71 -8.147 5.787 -10.022 1.00 0.00 O ATOM 0 H GLY A 71 -6.644 8.477 -8.281 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.807 7.029 -10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.182 6.824 -9.098 1.00 0.00 H new ATOM 1068 N LEU A 72 -6.617 4.839 -8.633 1.00 0.00 N ATOM 1069 CA LEU A 72 -7.415 3.635 -8.282 1.00 0.00 C ATOM 1070 C LEU A 72 -8.683 3.964 -7.454 1.00 0.00 C ATOM 1071 O LEU A 72 -8.786 5.028 -6.822 1.00 0.00 O ATOM 1072 CB LEU A 72 -6.555 2.600 -7.483 1.00 0.00 C ATOM 1073 CG LEU A 72 -6.122 2.990 -6.009 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -5.591 1.764 -5.233 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -5.079 4.133 -5.985 1.00 0.00 C ATOM 0 H LEU A 72 -5.699 4.858 -8.189 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.731 3.210 -9.235 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.114 1.666 -7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.650 2.400 -8.057 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.021 3.353 -5.511 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.303 2.067 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.371 1.005 -5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.724 1.354 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.815 4.363 -4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.186 3.822 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.500 5.020 -6.458 1.00 0.00 H new ATOM 1087 N LYS A 73 -9.647 3.031 -7.475 1.00 0.00 N ATOM 1088 CA LYS A 73 -10.769 3.004 -6.515 1.00 0.00 C ATOM 1089 C LYS A 73 -10.348 2.215 -5.245 1.00 0.00 C ATOM 1090 O LYS A 73 -9.232 1.671 -5.170 1.00 0.00 O ATOM 1091 CB LYS A 73 -12.010 2.338 -7.159 1.00 0.00 C ATOM 1092 CG LYS A 73 -12.555 3.033 -8.426 1.00 0.00 C ATOM 1093 CD LYS A 73 -13.197 4.412 -8.142 1.00 0.00 C ATOM 1094 CE LYS A 73 -13.862 5.020 -9.393 1.00 0.00 C ATOM 1095 NZ LYS A 73 -14.554 6.296 -9.091 1.00 0.00 N ATOM 0 H LYS A 73 -9.674 2.273 -8.157 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.024 4.027 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.758 1.308 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.807 2.299 -6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.742 3.159 -9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.295 2.386 -8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.941 4.307 -7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.433 5.096 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.105 5.191 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.578 4.308 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.987 6.670 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.294 6.130 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.867 6.984 -8.722 1.00 0.00 H new ATOM 1109 N ALA A 74 -11.252 2.139 -4.259 1.00 0.00 N ATOM 1110 CA ALA A 74 -11.027 1.356 -3.031 1.00 0.00 C ATOM 1111 C ALA A 74 -11.157 -0.162 -3.313 1.00 0.00 C ATOM 1112 O ALA A 74 -12.246 -0.741 -3.214 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.998 1.822 -1.943 1.00 0.00 C ATOM 0 H ALA A 74 -12.154 2.614 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.010 1.524 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.832 1.243 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.831 2.879 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.023 1.676 -2.284 1.00 0.00 H new ATOM 1119 N GLY A 75 -10.028 -0.780 -3.719 1.00 0.00 N ATOM 1120 CA GLY A 75 -9.978 -2.205 -4.076 1.00 0.00 C ATOM 1121 C GLY A 75 -9.623 -2.463 -5.551 1.00 0.00 C ATOM 1122 O GLY A 75 -10.083 -3.446 -6.136 1.00 0.00 O ATOM 0 H GLY A 75 -9.131 -0.303 -3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.244 -2.703 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.945 -2.658 -3.860 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.807 -1.570 -6.158 1.00 0.00 N ATOM 1127 CA ASP A 76 -8.201 -1.804 -7.499 1.00 0.00 C ATOM 1128 C ASP A 76 -6.659 -1.731 -7.419 1.00 0.00 C ATOM 1129 O ASP A 76 -6.095 -0.680 -7.130 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.742 -0.792 -8.549 1.00 0.00 C ATOM 1131 CG ASP A 76 -10.214 -1.034 -8.922 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.629 -2.213 -9.019 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -10.952 -0.063 -9.166 1.00 0.00 O ATOM 0 H ASP A 76 -8.549 -0.675 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.486 -2.805 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.635 0.220 -8.158 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.131 -0.852 -9.450 1.00 0.00 H new ATOM 1138 N ARG A 77 -5.994 -2.873 -7.657 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.517 -2.960 -7.681 1.00 0.00 C ATOM 1140 C ARG A 77 -3.929 -2.226 -8.927 1.00 0.00 C ATOM 1141 O ARG A 77 -3.738 -2.812 -10.005 1.00 0.00 O ATOM 1142 CB ARG A 77 -4.110 -4.465 -7.607 1.00 0.00 C ATOM 1143 CG ARG A 77 -4.733 -5.372 -8.712 1.00 0.00 C ATOM 1144 CD ARG A 77 -4.707 -6.874 -8.371 1.00 0.00 C ATOM 1145 NE ARG A 77 -5.583 -7.182 -7.234 1.00 0.00 N ATOM 1146 CZ ARG A 77 -5.874 -8.376 -6.775 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -5.343 -9.453 -7.267 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -6.707 -8.479 -5.803 1.00 0.00 N ATOM 0 H ARG A 77 -6.460 -3.762 -7.838 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.093 -2.448 -6.817 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.024 -4.536 -7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.399 -4.856 -6.632 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.765 -5.065 -8.882 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.195 -5.212 -9.646 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.021 -7.451 -9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.686 -7.178 -8.138 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.008 -6.389 -6.753 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.676 -9.387 -8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.593 -10.365 -6.885 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.129 -7.641 -5.402 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.946 -9.398 -5.432 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.644 -0.917 -8.743 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.259 0.011 -9.845 1.00 0.00 C ATOM 1164 C TRP A 78 -2.940 1.428 -9.293 1.00 0.00 C ATOM 1165 O TRP A 78 -3.597 1.882 -8.364 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.415 0.097 -10.901 1.00 0.00 C ATOM 1167 CG TRP A 78 -4.235 1.150 -11.980 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -3.164 1.307 -12.807 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -5.162 2.193 -12.336 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -3.353 2.385 -13.629 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -4.572 2.938 -13.371 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -6.428 2.566 -11.876 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -5.200 4.038 -13.955 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -7.055 3.653 -12.460 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -6.440 4.380 -13.490 1.00 0.00 C ATOM 0 H TRP A 78 -3.673 -0.468 -7.827 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.361 -0.380 -10.323 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.519 -0.876 -11.381 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.350 0.295 -10.376 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -2.291 0.672 -12.813 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -2.687 2.721 -14.325 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.908 2.016 -11.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -4.724 4.599 -14.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.036 3.947 -12.116 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -6.955 5.225 -13.924 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.891 2.082 -9.863 1.00 0.00 N ATOM 1187 CA CYS A 79 -1.586 3.547 -9.675 1.00 0.00 C ATOM 1188 C CYS A 79 -1.551 3.991 -8.189 1.00 0.00 C ATOM 1189 O CYS A 79 -1.866 5.143 -7.852 1.00 0.00 O ATOM 1190 CB CYS A 79 -2.600 4.399 -10.490 1.00 0.00 C ATOM 1191 SG CYS A 79 -2.256 6.180 -10.534 1.00 0.00 S ATOM 0 H CYS A 79 -1.222 1.612 -10.473 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.576 3.714 -10.050 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.624 4.025 -11.513 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.595 4.248 -10.072 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.996 6.602 -9.332 1.00 0.00 H new ATOM 1197 N LEU A 80 -1.132 3.071 -7.303 1.00 0.00 N ATOM 1198 CA LEU A 80 -1.228 3.284 -5.850 1.00 0.00 C ATOM 1199 C LEU A 80 -0.055 4.146 -5.313 1.00 0.00 C ATOM 1200 O LEU A 80 -0.264 4.915 -4.373 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.372 1.905 -5.110 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.616 1.924 -3.553 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.311 2.061 -2.737 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.633 3.017 -3.166 1.00 0.00 C ATOM 0 H LEU A 80 -0.724 2.174 -7.568 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.129 3.860 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.198 1.363 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.467 1.328 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.037 0.952 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.546 2.068 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.346 1.220 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.189 2.992 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.783 3.008 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.253 3.992 -3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.582 2.824 -3.666 1.00 0.00 H new ATOM 1216 N CYS A 81 1.156 4.025 -5.913 1.00 0.00 N ATOM 1217 CA CYS A 81 2.391 4.725 -5.431 1.00 0.00 C ATOM 1218 C CYS A 81 2.822 4.221 -4.025 1.00 0.00 C ATOM 1219 O CYS A 81 2.064 4.323 -3.063 1.00 0.00 O ATOM 1220 CB CYS A 81 2.225 6.272 -5.422 1.00 0.00 C ATOM 1221 SG CYS A 81 3.619 7.186 -4.710 1.00 0.00 S ATOM 0 H CYS A 81 1.312 3.446 -6.738 1.00 0.00 H new ATOM 0 HA CYS A 81 3.180 4.480 -6.142 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.072 6.612 -6.446 1.00 0.00 H new ATOM 0 HB3 CYS A 81 1.323 6.523 -4.864 1.00 0.00 H new ATOM 0 HG CYS A 81 3.371 8.461 -4.757 1.00 0.00 H new ATOM 1227 N ALA A 82 4.062 3.702 -3.918 1.00 0.00 N ATOM 1228 CA ALA A 82 4.542 2.998 -2.702 1.00 0.00 C ATOM 1229 C ALA A 82 4.541 3.901 -1.448 1.00 0.00 C ATOM 1230 O ALA A 82 4.339 3.410 -0.354 1.00 0.00 O ATOM 1231 CB ALA A 82 5.934 2.403 -2.944 1.00 0.00 C ATOM 0 H ALA A 82 4.757 3.756 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 82 3.838 2.190 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.272 1.890 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.888 1.693 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.633 3.202 -3.191 1.00 0.00 H new ATOM 1237 N SER A 83 4.735 5.219 -1.641 1.00 0.00 N ATOM 1238 CA SER A 83 4.684 6.231 -0.547 1.00 0.00 C ATOM 1239 C SER A 83 3.327 6.228 0.203 1.00 0.00 C ATOM 1240 O SER A 83 3.275 6.478 1.406 1.00 0.00 O ATOM 1241 CB SER A 83 4.944 7.643 -1.119 1.00 0.00 C ATOM 1242 OG SER A 83 6.193 7.710 -1.781 1.00 0.00 O ATOM 0 H SER A 83 4.932 5.622 -2.557 1.00 0.00 H new ATOM 0 HA SER A 83 5.461 5.962 0.169 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.147 7.908 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.919 8.375 -0.311 1.00 0.00 H new ATOM 0 HG SER A 83 6.328 8.614 -2.133 1.00 0.00 H new ATOM 1248 N ARG A 84 2.246 5.937 -0.542 1.00 0.00 N ATOM 1249 CA ARG A 84 0.853 5.991 -0.032 1.00 0.00 C ATOM 1250 C ARG A 84 0.553 4.799 0.921 1.00 0.00 C ATOM 1251 O ARG A 84 -0.020 4.980 2.000 1.00 0.00 O ATOM 1252 CB ARG A 84 -0.114 6.012 -1.249 1.00 0.00 C ATOM 1253 CG ARG A 84 -1.548 6.499 -0.955 1.00 0.00 C ATOM 1254 CD ARG A 84 -2.388 6.651 -2.242 1.00 0.00 C ATOM 1255 NE ARG A 84 -1.749 7.568 -3.213 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.830 7.492 -4.531 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -2.528 6.566 -5.124 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -1.191 8.353 -5.251 1.00 0.00 N ATOM 0 H ARG A 84 2.308 5.656 -1.520 1.00 0.00 H new ATOM 0 HA ARG A 84 0.711 6.897 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.316 6.651 -2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.170 5.005 -1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.039 5.794 -0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.505 7.456 -0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.526 5.673 -2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.379 7.026 -1.987 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.193 8.332 -2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.032 5.873 -4.570 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.571 6.534 -6.143 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.633 9.079 -4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.244 8.307 -6.269 1.00 0.00 H new ATOM 1272 N TRP A 85 0.965 3.586 0.504 1.00 0.00 N ATOM 1273 CA TRP A 85 0.837 2.349 1.320 1.00 0.00 C ATOM 1274 C TRP A 85 1.883 2.324 2.479 1.00 0.00 C ATOM 1275 O TRP A 85 1.528 2.078 3.636 1.00 0.00 O ATOM 1276 CB TRP A 85 0.943 1.084 0.389 1.00 0.00 C ATOM 1277 CG TRP A 85 1.628 -0.106 1.007 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.908 -0.484 0.785 1.00 0.00 C ATOM 1279 CD2 TRP A 85 1.097 -1.038 1.961 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.232 -1.537 1.578 1.00 0.00 N ATOM 1281 CE2 TRP A 85 2.132 -1.920 2.287 1.00 0.00 C ATOM 1282 CE3 TRP A 85 -0.141 -1.205 2.569 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.974 -2.954 3.206 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.305 -2.235 3.468 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.746 -3.098 3.783 1.00 0.00 C ATOM 0 H TRP A 85 1.397 3.429 -0.407 1.00 0.00 H new ATOM 0 HA TRP A 85 -0.144 2.335 1.794 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.062 0.789 0.086 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.480 1.363 -0.518 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.576 -0.015 0.078 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.153 -1.973 1.635 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.960 -0.539 2.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.791 -3.616 3.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.266 -2.378 3.939 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.584 -3.893 4.496 1.00 0.00 H new ATOM 1296 N GLN A 86 3.173 2.532 2.127 1.00 0.00 N ATOM 1297 CA GLN A 86 4.313 2.519 3.088 1.00 0.00 C ATOM 1298 C GLN A 86 4.082 3.448 4.317 1.00 0.00 C ATOM 1299 O GLN A 86 4.462 3.114 5.446 1.00 0.00 O ATOM 1300 CB GLN A 86 5.618 2.912 2.355 1.00 0.00 C ATOM 1301 CG GLN A 86 6.915 2.914 3.208 1.00 0.00 C ATOM 1302 CD GLN A 86 7.087 1.715 4.156 1.00 0.00 C ATOM 1303 OE1 GLN A 86 6.728 0.586 3.851 1.00 0.00 O ATOM 1304 NE2 GLN A 86 7.581 1.976 5.341 1.00 0.00 N ATOM 0 H GLN A 86 3.459 2.715 1.165 1.00 0.00 H new ATOM 0 HA GLN A 86 4.395 1.504 3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.760 2.227 1.519 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.486 3.908 1.932 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.772 2.948 2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.938 3.829 3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.874 2.925 5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.673 1.230 6.031 1.00 0.00 H new ATOM 1313 N GLU A 87 3.456 4.612 4.074 1.00 0.00 N ATOM 1314 CA GLU A 87 3.099 5.569 5.146 1.00 0.00 C ATOM 1315 C GLU A 87 2.091 4.947 6.147 1.00 0.00 C ATOM 1316 O GLU A 87 2.241 5.101 7.360 1.00 0.00 O ATOM 1317 CB GLU A 87 2.527 6.877 4.536 1.00 0.00 C ATOM 1318 CG GLU A 87 2.124 7.958 5.568 1.00 0.00 C ATOM 1319 CD GLU A 87 1.661 9.275 4.916 1.00 0.00 C ATOM 1320 OE1 GLU A 87 0.581 9.292 4.284 1.00 0.00 O ATOM 1321 OE2 GLU A 87 2.380 10.296 5.012 1.00 0.00 O ATOM 0 H GLU A 87 3.184 4.918 3.140 1.00 0.00 H new ATOM 0 HA GLU A 87 4.008 5.809 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.270 7.300 3.860 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.654 6.628 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.323 7.570 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.972 8.162 6.221 1.00 0.00 H new ATOM 1328 N ALA A 88 1.083 4.229 5.611 1.00 0.00 N ATOM 1329 CA ALA A 88 0.075 3.501 6.426 1.00 0.00 C ATOM 1330 C ALA A 88 0.720 2.369 7.269 1.00 0.00 C ATOM 1331 O ALA A 88 0.248 2.069 8.373 1.00 0.00 O ATOM 1332 CB ALA A 88 -1.027 2.929 5.525 1.00 0.00 C ATOM 0 H ALA A 88 0.940 4.134 4.605 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.364 4.218 7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.758 2.399 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.521 3.742 4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.587 2.239 4.805 1.00 0.00 H new ATOM 1338 N PHE A 89 1.777 1.734 6.712 1.00 0.00 N ATOM 1339 CA PHE A 89 2.583 0.710 7.420 1.00 0.00 C ATOM 1340 C PHE A 89 3.255 1.306 8.682 1.00 0.00 C ATOM 1341 O PHE A 89 3.138 0.755 9.781 1.00 0.00 O ATOM 1342 CB PHE A 89 3.646 0.097 6.458 1.00 0.00 C ATOM 1343 CG PHE A 89 4.640 -0.851 7.143 1.00 0.00 C ATOM 1344 CD1 PHE A 89 4.246 -2.127 7.543 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.955 -0.454 7.417 1.00 0.00 C ATOM 1346 CE1 PHE A 89 5.128 -2.974 8.185 1.00 0.00 C ATOM 1347 CE2 PHE A 89 6.833 -1.305 8.062 1.00 0.00 C ATOM 1348 CZ PHE A 89 6.420 -2.565 8.446 1.00 0.00 C ATOM 0 H PHE A 89 2.096 1.916 5.760 1.00 0.00 H new ATOM 0 HA PHE A 89 1.915 -0.087 7.747 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.132 -0.445 5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.201 0.907 5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.237 -2.458 7.348 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.287 0.530 7.120 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.805 -3.960 8.484 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.844 -0.984 8.266 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.107 -3.229 8.950 1.00 0.00 H new ATOM 1358 N GLU A 90 3.953 2.439 8.505 1.00 0.00 N ATOM 1359 CA GLU A 90 4.641 3.158 9.610 1.00 0.00 C ATOM 1360 C GLU A 90 3.641 3.819 10.593 1.00 0.00 C ATOM 1361 O GLU A 90 3.962 4.041 11.764 1.00 0.00 O ATOM 1362 CB GLU A 90 5.614 4.198 9.007 1.00 0.00 C ATOM 1363 CG GLU A 90 6.750 3.570 8.181 1.00 0.00 C ATOM 1364 CD GLU A 90 7.632 4.620 7.495 1.00 0.00 C ATOM 1365 OE1 GLU A 90 8.571 5.137 8.141 1.00 0.00 O ATOM 1366 OE2 GLU A 90 7.387 4.946 6.311 1.00 0.00 O ATOM 0 H GLU A 90 4.061 2.889 7.596 1.00 0.00 H new ATOM 0 HA GLU A 90 5.205 2.433 10.198 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.052 4.885 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.047 4.790 9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.368 2.951 8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.323 2.910 7.426 1.00 0.00 H new ATOM 1373 N ALA A 91 2.430 4.130 10.095 1.00 0.00 N ATOM 1374 CA ALA A 91 1.299 4.606 10.928 1.00 0.00 C ATOM 1375 C ALA A 91 0.589 3.430 11.661 1.00 0.00 C ATOM 1376 O ALA A 91 -0.224 3.651 12.567 1.00 0.00 O ATOM 1377 CB ALA A 91 0.297 5.386 10.053 1.00 0.00 C ATOM 0 H ALA A 91 2.203 4.060 9.103 1.00 0.00 H new ATOM 0 HA ALA A 91 1.699 5.270 11.694 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.532 5.733 10.670 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.798 6.243 9.602 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.084 4.734 9.267 1.00 0.00 H new ATOM 1383 N GLY A 92 0.878 2.184 11.221 1.00 0.00 N ATOM 1384 CA GLY A 92 0.340 0.964 11.852 1.00 0.00 C ATOM 1385 C GLY A 92 -1.023 0.515 11.307 1.00 0.00 C ATOM 1386 O GLY A 92 -1.384 -0.658 11.424 1.00 0.00 O ATOM 0 H GLY A 92 1.487 2.000 10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.056 0.154 11.717 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.250 1.134 12.925 1.00 0.00 H new ATOM 1390 N MET A 93 -1.763 1.440 10.663 1.00 0.00 N ATOM 1391 CA MET A 93 -3.175 1.215 10.245 1.00 0.00 C ATOM 1392 C MET A 93 -3.297 0.487 8.873 1.00 0.00 C ATOM 1393 O MET A 93 -4.409 0.285 8.371 1.00 0.00 O ATOM 1394 CB MET A 93 -3.926 2.584 10.249 1.00 0.00 C ATOM 1395 CG MET A 93 -3.385 3.652 9.268 1.00 0.00 C ATOM 1396 SD MET A 93 -3.824 3.346 7.541 1.00 0.00 S ATOM 1397 CE MET A 93 -5.620 3.385 7.602 1.00 0.00 C ATOM 0 H MET A 93 -1.407 2.363 10.415 1.00 0.00 H new ATOM 0 HA MET A 93 -3.642 0.541 10.963 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.975 2.402 10.016 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.890 2.994 11.258 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.767 4.629 9.563 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.299 3.695 9.355 1.00 0.00 H new ATOM 0 HE1 MET A 93 -6.018 2.446 7.218 1.00 0.00 H new ATOM 0 HE2 MET A 93 -5.946 3.522 8.633 1.00 0.00 H new ATOM 0 HE3 MET A 93 -5.987 4.211 6.992 1.00 0.00 H new ATOM 1407 N ALA A 94 -2.142 0.070 8.315 1.00 0.00 N ATOM 1408 CA ALA A 94 -2.036 -0.603 6.999 1.00 0.00 C ATOM 1409 C ALA A 94 -2.940 -1.871 6.849 1.00 0.00 C ATOM 1410 O ALA A 94 -2.961 -2.731 7.743 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.572 -0.983 6.751 1.00 0.00 C ATOM 0 H ALA A 94 -1.239 0.193 8.773 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.396 0.109 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.484 -1.479 5.785 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.043 -0.083 6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.233 -1.657 7.537 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.708 -1.988 5.713 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.492 -3.214 5.370 1.00 0.00 C ATOM 1419 C PRO A 95 -3.631 -4.345 4.715 1.00 0.00 C ATOM 1420 O PRO A 95 -2.437 -4.157 4.481 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.530 -2.647 4.366 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.788 -1.570 3.641 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.910 -0.916 4.694 1.00 0.00 C ATOM 0 HA PRO A 95 -4.918 -3.700 6.248 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.884 -3.418 3.681 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.406 -2.251 4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.189 -1.982 2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.474 -0.849 3.197 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.962 -0.583 4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.392 -0.039 5.127 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.213 -5.564 4.450 1.00 0.00 N ATOM 1432 CA PRO A 96 -3.561 -6.582 3.574 1.00 0.00 C ATOM 1433 C PRO A 96 -3.405 -6.089 2.102 1.00 0.00 C ATOM 1434 O PRO A 96 -4.389 -5.690 1.460 1.00 0.00 O ATOM 1435 CB PRO A 96 -4.513 -7.808 3.671 1.00 0.00 C ATOM 1436 CG PRO A 96 -5.832 -7.241 4.119 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.485 -6.081 5.031 1.00 0.00 C ATOM 0 HA PRO A 96 -2.542 -6.807 3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.606 -8.312 2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.138 -8.544 4.382 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.425 -6.907 3.268 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.423 -7.991 4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.266 -5.321 5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.354 -6.405 6.064 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.160 -6.109 1.583 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.844 -5.701 0.191 1.00 0.00 C ATOM 1447 C VAL A 97 -1.539 -6.945 -0.687 1.00 0.00 C ATOM 1448 O VAL A 97 -0.875 -7.882 -0.250 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.641 -4.676 0.156 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.640 -5.255 0.805 1.00 0.00 C ATOM 1451 CG2 VAL A 97 -0.356 -4.183 -1.282 1.00 0.00 C ATOM 0 H VAL A 97 -1.342 -6.408 2.114 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.719 -5.198 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.947 -3.817 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.439 -4.515 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.439 -5.505 1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.945 -6.153 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.477 -3.480 -1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.102 -5.034 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.242 -3.687 -1.679 1.00 0.00 H new ATOM 1461 N VAL A 98 -2.057 -6.965 -1.922 1.00 0.00 N ATOM 1462 CA VAL A 98 -1.825 -8.082 -2.867 1.00 0.00 C ATOM 1463 C VAL A 98 -0.330 -8.147 -3.349 1.00 0.00 C ATOM 1464 O VAL A 98 0.128 -7.343 -4.176 1.00 0.00 O ATOM 1465 CB VAL A 98 -2.847 -8.026 -4.067 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.833 -6.648 -4.766 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -2.609 -9.181 -5.071 1.00 0.00 C ATOM 0 H VAL A 98 -2.643 -6.220 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.007 -9.014 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.844 -8.162 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.550 -6.649 -5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.104 -5.873 -4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.835 -6.448 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.331 -9.111 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -1.599 -9.110 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.729 -10.137 -4.561 1.00 0.00 H new ATOM 1477 N LEU A 99 0.416 -9.115 -2.771 1.00 0.00 N ATOM 1478 CA LEU A 99 1.853 -9.373 -3.067 1.00 0.00 C ATOM 1479 C LEU A 99 2.108 -9.688 -4.562 1.00 0.00 C ATOM 1480 O LEU A 99 3.082 -9.218 -5.157 1.00 0.00 O ATOM 1481 CB LEU A 99 2.347 -10.569 -2.199 1.00 0.00 C ATOM 1482 CG LEU A 99 2.352 -10.351 -0.651 1.00 0.00 C ATOM 1483 CD1 LEU A 99 2.626 -11.675 0.105 1.00 0.00 C ATOM 1484 CD2 LEU A 99 3.375 -9.267 -0.268 1.00 0.00 C ATOM 0 H LEU A 99 0.034 -9.753 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 99 2.404 -8.463 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.720 -11.433 -2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.360 -10.822 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 99 1.361 -10.009 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.623 -11.488 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.850 -12.401 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.598 -12.069 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.368 -9.126 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.370 -9.577 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.113 -8.330 -0.758 1.00 0.00 H new ATOM 1496 N GLN A 100 1.204 -10.484 -5.158 1.00 0.00 N ATOM 1497 CA GLN A 100 1.331 -10.963 -6.555 1.00 0.00 C ATOM 1498 C GLN A 100 0.932 -9.891 -7.613 1.00 0.00 C ATOM 1499 O GLN A 100 0.875 -10.193 -8.808 1.00 0.00 O ATOM 1500 CB GLN A 100 0.502 -12.271 -6.723 1.00 0.00 C ATOM 1501 CG GLN A 100 -1.003 -12.141 -6.413 1.00 0.00 C ATOM 1502 CD GLN A 100 -1.733 -13.489 -6.373 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -1.839 -14.126 -5.329 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -2.216 -13.947 -7.507 1.00 0.00 N ATOM 0 H GLN A 100 0.362 -10.817 -4.689 1.00 0.00 H new ATOM 0 HA GLN A 100 2.385 -11.170 -6.743 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.616 -12.625 -7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.925 -13.036 -6.073 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.127 -11.640 -5.453 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.469 -11.506 -7.167 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.116 -13.400 -8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.691 -14.849 -7.532 1.00 0.00 H new ATOM 1513 N SER A 101 0.669 -8.644 -7.169 1.00 0.00 N ATOM 1514 CA SER A 101 0.415 -7.495 -8.083 1.00 0.00 C ATOM 1515 C SER A 101 1.465 -6.376 -7.910 1.00 0.00 C ATOM 1516 O SER A 101 1.673 -5.577 -8.823 1.00 0.00 O ATOM 1517 CB SER A 101 -0.994 -6.924 -7.856 1.00 0.00 C ATOM 1518 OG SER A 101 -1.278 -5.843 -8.737 1.00 0.00 O ATOM 0 H SER A 101 0.625 -8.400 -6.180 1.00 0.00 H new ATOM 0 HA SER A 101 0.492 -7.874 -9.102 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.733 -7.713 -8.000 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.086 -6.585 -6.824 1.00 0.00 H new ATOM 0 HG SER A 101 -2.143 -5.995 -9.173 1.00 0.00 H new ATOM 1524 N THR A 102 2.087 -6.294 -6.717 1.00 0.00 N ATOM 1525 CA THR A 102 3.157 -5.309 -6.442 1.00 0.00 C ATOM 1526 C THR A 102 4.440 -5.643 -7.237 1.00 0.00 C ATOM 1527 O THR A 102 5.037 -6.702 -7.030 1.00 0.00 O ATOM 1528 CB THR A 102 3.474 -5.229 -4.901 1.00 0.00 C ATOM 1529 OG1 THR A 102 3.582 -6.546 -4.329 1.00 0.00 O ATOM 1530 CG2 THR A 102 2.409 -4.429 -4.133 1.00 0.00 C ATOM 0 H THR A 102 1.867 -6.899 -5.926 1.00 0.00 H new ATOM 0 HA THR A 102 2.795 -4.334 -6.768 1.00 0.00 H new ATOM 0 HB THR A 102 4.428 -4.710 -4.806 1.00 0.00 H new ATOM 0 HG1 THR A 102 3.949 -7.163 -4.996 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.669 -4.400 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.365 -3.412 -4.524 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.437 -4.907 -4.255 1.00 0.00 H new ATOM 1538 N GLU A 103 4.826 -4.750 -8.175 1.00 0.00 N ATOM 1539 CA GLU A 103 6.084 -4.887 -8.954 1.00 0.00 C ATOM 1540 C GLU A 103 7.344 -4.789 -8.047 1.00 0.00 C ATOM 1541 O GLU A 103 7.276 -4.263 -6.936 1.00 0.00 O ATOM 1542 CB GLU A 103 6.177 -3.799 -10.072 1.00 0.00 C ATOM 1543 CG GLU A 103 5.156 -3.919 -11.232 1.00 0.00 C ATOM 1544 CD GLU A 103 3.701 -3.569 -10.859 1.00 0.00 C ATOM 1545 OE1 GLU A 103 3.488 -2.524 -10.208 1.00 0.00 O ATOM 1546 OE2 GLU A 103 2.770 -4.311 -11.250 1.00 0.00 O ATOM 0 H GLU A 103 4.283 -3.921 -8.414 1.00 0.00 H new ATOM 0 HA GLU A 103 6.057 -5.877 -9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.055 -2.820 -9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.181 -3.828 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.474 -3.266 -12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.182 -4.939 -11.614 1.00 0.00 H new ATOM 1553 N LYS A 104 8.501 -5.282 -8.538 1.00 0.00 N ATOM 1554 CA LYS A 104 9.794 -5.140 -7.818 1.00 0.00 C ATOM 1555 C LYS A 104 10.202 -3.634 -7.758 1.00 0.00 C ATOM 1556 O LYS A 104 10.877 -3.193 -6.828 1.00 0.00 O ATOM 1557 CB LYS A 104 10.890 -6.028 -8.501 1.00 0.00 C ATOM 1558 CG LYS A 104 12.032 -6.547 -7.574 1.00 0.00 C ATOM 1559 CD LYS A 104 12.993 -5.442 -7.067 1.00 0.00 C ATOM 1560 CE LYS A 104 14.063 -5.968 -6.100 1.00 0.00 C ATOM 1561 NZ LYS A 104 14.988 -6.935 -6.751 1.00 0.00 N ATOM 0 H LYS A 104 8.571 -5.780 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 104 9.688 -5.492 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.399 -6.889 -8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.340 -5.454 -9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.587 -7.048 -6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.611 -7.296 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.483 -4.975 -7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.413 -4.665 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.637 -5.129 -5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.577 -6.449 -5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.712 -7.236 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.451 -7.765 -7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.448 -6.481 -7.566 1.00 0.00 H new ATOM 1575 N SER A 105 9.745 -2.851 -8.756 1.00 0.00 N ATOM 1576 CA SER A 105 9.916 -1.375 -8.777 1.00 0.00 C ATOM 1577 C SER A 105 9.241 -0.699 -7.553 1.00 0.00 C ATOM 1578 O SER A 105 9.686 0.358 -7.102 1.00 0.00 O ATOM 1579 CB SER A 105 9.356 -0.800 -10.098 1.00 0.00 C ATOM 1580 OG SER A 105 9.508 0.612 -10.179 1.00 0.00 O ATOM 0 H SER A 105 9.249 -3.217 -9.569 1.00 0.00 H new ATOM 0 HA SER A 105 10.982 -1.158 -8.716 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.866 -1.267 -10.940 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.300 -1.055 -10.184 1.00 0.00 H new ATOM 0 HG SER A 105 10.457 0.833 -10.287 1.00 0.00 H new ATOM 1586 N ALA A 106 8.170 -1.325 -7.024 1.00 0.00 N ATOM 1587 CA ALA A 106 7.534 -0.896 -5.753 1.00 0.00 C ATOM 1588 C ALA A 106 8.492 -1.084 -4.555 1.00 0.00 C ATOM 1589 O ALA A 106 8.653 -0.180 -3.727 1.00 0.00 O ATOM 1590 CB ALA A 106 6.223 -1.666 -5.522 1.00 0.00 C ATOM 0 H ALA A 106 7.723 -2.133 -7.457 1.00 0.00 H new ATOM 0 HA ALA A 106 7.306 0.167 -5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.769 -1.340 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.536 -1.471 -6.346 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.433 -2.734 -5.470 1.00 0.00 H new ATOM 1596 N LEU A 107 9.168 -2.255 -4.525 1.00 0.00 N ATOM 1597 CA LEU A 107 10.138 -2.675 -3.456 1.00 0.00 C ATOM 1598 C LEU A 107 11.412 -1.779 -3.377 1.00 0.00 C ATOM 1599 O LEU A 107 12.339 -2.089 -2.630 1.00 0.00 O ATOM 1600 CB LEU A 107 10.558 -4.171 -3.669 1.00 0.00 C ATOM 1601 CG LEU A 107 9.547 -5.280 -3.213 1.00 0.00 C ATOM 1602 CD1 LEU A 107 8.182 -5.171 -3.916 1.00 0.00 C ATOM 1603 CD2 LEU A 107 10.159 -6.686 -3.416 1.00 0.00 C ATOM 0 H LEU A 107 9.060 -2.959 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 107 9.614 -2.556 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 107 10.759 -4.316 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 107 11.497 -4.335 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 107 9.361 -5.122 -2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 107 7.525 -5.964 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.735 -4.202 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 107 8.319 -5.269 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 107 9.444 -7.444 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 107 10.393 -6.832 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 107 11.071 -6.774 -2.826 1.00 0.00 H new ATOM 1615 N ARG A 108 11.455 -0.691 -4.148 1.00 0.00 N ATOM 1616 CA ARG A 108 12.584 0.265 -4.148 1.00 0.00 C ATOM 1617 C ARG A 108 12.281 1.459 -3.214 1.00 0.00 C ATOM 1618 O ARG A 108 13.169 2.239 -2.861 1.00 0.00 O ATOM 1619 CB ARG A 108 12.850 0.749 -5.597 1.00 0.00 C ATOM 1620 CG ARG A 108 13.107 -0.397 -6.606 1.00 0.00 C ATOM 1621 CD ARG A 108 13.450 0.119 -8.015 1.00 0.00 C ATOM 1622 NE ARG A 108 14.744 0.820 -8.039 1.00 0.00 N ATOM 1623 CZ ARG A 108 15.102 1.737 -8.909 1.00 0.00 C ATOM 1624 NH1 ARG A 108 14.284 2.174 -9.817 1.00 0.00 N ATOM 1625 NH2 ARG A 108 16.292 2.233 -8.847 1.00 0.00 N ATOM 0 H ARG A 108 10.708 -0.439 -4.796 1.00 0.00 H new ATOM 0 HA ARG A 108 13.478 -0.233 -3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.995 1.334 -5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.712 1.417 -5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.925 -1.019 -6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.223 -1.032 -6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.477 -0.718 -8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.665 0.793 -8.357 1.00 0.00 H new ATOM 0 HE ARG A 108 15.421 0.572 -7.318 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.335 1.805 -9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 108 14.591 2.887 -10.479 1.00 0.00 H new ATOM 0 HH21 ARG A 108 16.941 1.912 -8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 108 16.583 2.946 -9.516 1.00 0.00 H new ATOM 1639 N TYR A 109 10.998 1.587 -2.835 1.00 0.00 N ATOM 1640 CA TYR A 109 10.494 2.627 -1.922 1.00 0.00 C ATOM 1641 C TYR A 109 9.992 1.940 -0.623 1.00 0.00 C ATOM 1642 O TYR A 109 10.208 2.438 0.487 1.00 0.00 O ATOM 1643 CB TYR A 109 9.352 3.418 -2.613 1.00 0.00 C ATOM 1644 CG TYR A 109 9.672 3.913 -4.045 1.00 0.00 C ATOM 1645 CD1 TYR A 109 9.576 3.048 -5.144 1.00 0.00 C ATOM 1646 CD2 TYR A 109 10.056 5.235 -4.303 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.850 3.477 -6.430 1.00 0.00 C ATOM 1648 CE2 TYR A 109 10.332 5.669 -5.593 1.00 0.00 C ATOM 1649 CZ TYR A 109 10.227 4.784 -6.652 1.00 0.00 C ATOM 1650 OH TYR A 109 10.493 5.211 -7.940 1.00 0.00 O ATOM 0 H TYR A 109 10.266 0.956 -3.162 1.00 0.00 H new ATOM 0 HA TYR A 109 11.286 3.332 -1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 109 8.465 2.786 -2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.101 4.280 -1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.281 2.022 -4.983 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.139 5.931 -3.482 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.769 2.789 -7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.627 6.693 -5.769 1.00 0.00 H new ATOM 0 HH TYR A 109 10.744 6.158 -7.925 1.00 0.00 H new ATOM 1660 N VAL A 110 9.299 0.785 -0.795 1.00 0.00 N ATOM 1661 CA VAL A 110 9.036 -0.191 0.305 1.00 0.00 C ATOM 1662 C VAL A 110 10.136 -1.288 0.342 1.00 0.00 C ATOM 1663 O VAL A 110 11.210 -1.151 -0.243 1.00 0.00 O ATOM 1664 CB VAL A 110 7.616 -0.917 0.187 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.473 -0.086 0.724 1.00 0.00 C ATOM 1666 CG2 VAL A 110 7.277 -1.309 -1.244 1.00 0.00 C ATOM 0 H VAL A 110 8.907 0.501 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 110 9.041 0.399 1.221 1.00 0.00 H new ATOM 0 HB VAL A 110 7.725 -1.812 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.539 -0.637 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.644 0.130 1.779 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.410 0.849 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.303 -1.798 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.249 -0.416 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.035 -1.994 -1.623 1.00 0.00 H new ATOM 1676 N SER A 111 9.856 -2.333 1.119 1.00 0.00 N ATOM 1677 CA SER A 111 10.495 -3.652 1.018 1.00 0.00 C ATOM 1678 C SER A 111 9.386 -4.713 1.001 1.00 0.00 C ATOM 1679 O SER A 111 8.273 -4.455 1.479 1.00 0.00 O ATOM 1680 CB SER A 111 11.441 -3.902 2.212 1.00 0.00 C ATOM 1681 OG SER A 111 12.009 -5.207 2.165 1.00 0.00 O ATOM 0 H SER A 111 9.157 -2.288 1.860 1.00 0.00 H new ATOM 0 HA SER A 111 11.092 -3.701 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.237 -3.157 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.892 -3.777 3.145 1.00 0.00 H new ATOM 0 HG SER A 111 12.604 -5.333 2.934 1.00 0.00 H new ATOM 1687 N LEU A 112 9.683 -5.892 0.434 1.00 0.00 N ATOM 1688 CA LEU A 112 8.792 -7.076 0.517 1.00 0.00 C ATOM 1689 C LEU A 112 8.339 -7.347 1.969 1.00 0.00 C ATOM 1690 O LEU A 112 7.189 -7.704 2.204 1.00 0.00 O ATOM 1691 CB LEU A 112 9.503 -8.325 -0.103 1.00 0.00 C ATOM 1692 CG LEU A 112 8.845 -9.750 0.124 1.00 0.00 C ATOM 1693 CD1 LEU A 112 9.099 -10.693 -1.072 1.00 0.00 C ATOM 1694 CD2 LEU A 112 9.356 -10.424 1.434 1.00 0.00 C ATOM 0 H LEU A 112 10.540 -6.059 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 112 7.891 -6.868 -0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.584 -8.163 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.519 -8.360 0.291 1.00 0.00 H new ATOM 0 HG LEU A 112 7.772 -9.579 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.633 -11.659 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.672 -10.258 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.172 -10.828 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 112 8.881 -11.398 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.437 -10.552 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.108 -9.794 2.288 1.00 0.00 H new ATOM 1706 N ALA A 113 9.260 -7.166 2.931 1.00 0.00 N ATOM 1707 CA ALA A 113 8.984 -7.385 4.370 1.00 0.00 C ATOM 1708 C ALA A 113 7.852 -6.467 4.904 1.00 0.00 C ATOM 1709 O ALA A 113 7.047 -6.897 5.740 1.00 0.00 O ATOM 1710 CB ALA A 113 10.275 -7.182 5.173 1.00 0.00 C ATOM 0 H ALA A 113 10.215 -6.865 2.739 1.00 0.00 H new ATOM 0 HA ALA A 113 8.633 -8.410 4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.074 -7.343 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.029 -7.893 4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.641 -6.166 5.023 1.00 0.00 H new ATOM 1716 N ASP A 114 7.789 -5.216 4.397 1.00 0.00 N ATOM 1717 CA ASP A 114 6.726 -4.253 4.767 1.00 0.00 C ATOM 1718 C ASP A 114 5.350 -4.704 4.214 1.00 0.00 C ATOM 1719 O ASP A 114 4.313 -4.499 4.854 1.00 0.00 O ATOM 1720 CB ASP A 114 7.086 -2.839 4.235 1.00 0.00 C ATOM 1721 CG ASP A 114 8.469 -2.338 4.688 1.00 0.00 C ATOM 1722 OD1 ASP A 114 8.856 -2.585 5.851 1.00 0.00 O ATOM 1723 OD2 ASP A 114 9.181 -1.694 3.893 1.00 0.00 O ATOM 0 H ASP A 114 8.465 -4.848 3.727 1.00 0.00 H new ATOM 0 HA ASP A 114 6.655 -4.218 5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.054 -2.852 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.327 -2.132 4.568 1.00 0.00 H new ATOM 1728 N LEU A 115 5.384 -5.362 3.036 1.00 0.00 N ATOM 1729 CA LEU A 115 4.181 -5.841 2.340 1.00 0.00 C ATOM 1730 C LEU A 115 3.600 -7.071 3.078 1.00 0.00 C ATOM 1731 O LEU A 115 2.451 -7.058 3.525 1.00 0.00 O ATOM 1732 CB LEU A 115 4.534 -6.209 0.867 1.00 0.00 C ATOM 1733 CG LEU A 115 5.360 -5.155 0.068 1.00 0.00 C ATOM 1734 CD1 LEU A 115 5.627 -5.605 -1.369 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.697 -3.783 0.078 1.00 0.00 C ATOM 0 H LEU A 115 6.251 -5.574 2.543 1.00 0.00 H new ATOM 0 HA LEU A 115 3.431 -5.051 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.091 -7.146 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.604 -6.394 0.329 1.00 0.00 H new ATOM 0 HG LEU A 115 6.319 -5.070 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.205 -4.841 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.188 -6.540 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.679 -5.756 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.306 -3.080 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.708 -3.854 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.602 -3.432 1.106 1.00 0.00 H new ATOM 1747 N GLN A 116 4.457 -8.096 3.253 1.00 0.00 N ATOM 1748 CA GLN A 116 4.104 -9.399 3.871 1.00 0.00 C ATOM 1749 C GLN A 116 3.738 -9.278 5.365 1.00 0.00 C ATOM 1750 O GLN A 116 3.043 -10.143 5.904 1.00 0.00 O ATOM 1751 CB GLN A 116 5.276 -10.406 3.702 1.00 0.00 C ATOM 1752 CG GLN A 116 5.746 -10.611 2.238 1.00 0.00 C ATOM 1753 CD GLN A 116 6.142 -12.059 1.888 1.00 0.00 C ATOM 1754 OE1 GLN A 116 6.599 -12.820 2.735 1.00 0.00 O ATOM 1755 NE2 GLN A 116 5.992 -12.437 0.631 1.00 0.00 N ATOM 0 H GLN A 116 5.434 -8.045 2.965 1.00 0.00 H new ATOM 0 HA GLN A 116 3.218 -9.761 3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.122 -10.061 4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.971 -11.370 4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 116 4.948 -10.294 1.566 1.00 0.00 H new ATOM 0 HG3 GLN A 116 6.599 -9.959 2.049 1.00 0.00 H new ATOM 0 HE21 GLN A 116 5.610 -11.786 -0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.258 -13.380 0.347 1.00 0.00 H new ATOM 1764 N ALA A 117 4.241 -8.221 6.028 1.00 0.00 N ATOM 1765 CA ALA A 117 3.880 -7.894 7.435 1.00 0.00 C ATOM 1766 C ALA A 117 2.339 -7.795 7.658 1.00 0.00 C ATOM 1767 O ALA A 117 1.835 -8.149 8.728 1.00 0.00 O ATOM 1768 CB ALA A 117 4.564 -6.589 7.862 1.00 0.00 C ATOM 0 H ALA A 117 4.906 -7.568 5.614 1.00 0.00 H new ATOM 0 HA ALA A 117 4.235 -8.717 8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.295 -6.357 8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.645 -6.703 7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.239 -5.778 7.211 1.00 0.00 H new ATOM 1774 N HIS A 118 1.599 -7.305 6.637 1.00 0.00 N ATOM 1775 CA HIS A 118 0.115 -7.167 6.692 1.00 0.00 C ATOM 1776 C HIS A 118 -0.602 -8.082 5.667 1.00 0.00 C ATOM 1777 O HIS A 118 -1.777 -8.409 5.849 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.291 -5.688 6.472 1.00 0.00 C ATOM 1779 CG HIS A 118 0.139 -4.768 7.583 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -0.719 -4.320 8.563 1.00 0.00 N ATOM 1781 CD2 HIS A 118 1.346 -4.230 7.881 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -0.064 -3.555 9.411 1.00 0.00 C ATOM 1783 NE2 HIS A 118 1.192 -3.482 9.023 1.00 0.00 N ATOM 0 H HIS A 118 2.005 -6.994 5.755 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.204 -7.488 7.684 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.142 -5.338 5.535 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.374 -5.631 6.364 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -1.712 -4.547 8.623 1.00 0.00 H new ATOM 0 HD2 HIS A 118 2.261 -4.364 7.323 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -0.486 -3.069 10.279 1.00 0.00 H new ATOM 1792 N ALA A 119 0.103 -8.485 4.595 1.00 0.00 N ATOM 1793 CA ALA A 119 -0.457 -9.355 3.531 1.00 0.00 C ATOM 1794 C ALA A 119 -0.394 -10.852 3.909 1.00 0.00 C ATOM 1795 O ALA A 119 -1.181 -11.661 3.399 1.00 0.00 O ATOM 1796 CB ALA A 119 0.316 -9.120 2.234 1.00 0.00 C ATOM 0 H ALA A 119 1.075 -8.221 4.437 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.508 -9.095 3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -0.090 -9.756 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.223 -8.075 1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.368 -9.361 2.388 1.00 0.00 H new ATOM 1802 N LEU A 120 0.570 -11.182 4.796 1.00 0.00 N ATOM 1803 CA LEU A 120 0.909 -12.563 5.228 1.00 0.00 C ATOM 1804 C LEU A 120 1.556 -13.406 4.085 1.00 0.00 C ATOM 1805 O LEU A 120 1.132 -13.333 2.929 1.00 0.00 O ATOM 1806 CB LEU A 120 -0.300 -13.298 5.909 1.00 0.00 C ATOM 1807 CG LEU A 120 -0.578 -12.914 7.405 1.00 0.00 C ATOM 1808 CD1 LEU A 120 0.647 -13.217 8.296 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -1.016 -11.442 7.549 1.00 0.00 C ATOM 0 H LEU A 120 1.153 -10.477 5.247 1.00 0.00 H new ATOM 0 HA LEU A 120 1.672 -12.460 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.199 -13.093 5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.124 -14.372 5.856 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.407 -13.534 7.747 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.425 -12.941 9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.878 -14.281 8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.504 -12.643 7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.198 -11.218 8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.229 -10.790 7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -1.930 -11.277 6.979 1.00 0.00 H new ATOM 1821 N PRO A 121 2.612 -14.239 4.401 1.00 0.00 N ATOM 1822 CA PRO A 121 3.401 -14.998 3.381 1.00 0.00 C ATOM 1823 C PRO A 121 2.675 -16.234 2.762 1.00 0.00 C ATOM 1824 O PRO A 121 3.326 -17.091 2.144 1.00 0.00 O ATOM 1825 CB PRO A 121 4.690 -15.416 4.167 1.00 0.00 C ATOM 1826 CG PRO A 121 4.618 -14.701 5.488 1.00 0.00 C ATOM 1827 CD PRO A 121 3.152 -14.489 5.763 1.00 0.00 C ATOM 0 HA PRO A 121 3.590 -14.382 2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.728 -16.496 4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 121 5.590 -15.135 3.619 1.00 0.00 H new ATOM 0 HG2 PRO A 121 5.082 -15.292 6.278 1.00 0.00 H new ATOM 0 HG3 PRO A 121 5.149 -13.750 5.447 1.00 0.00 H new ATOM 0 HD2 PRO A 121 2.694 -15.362 6.229 1.00 0.00 H new ATOM 0 HD3 PRO A 121 2.981 -13.645 6.431 1.00 0.00 H new ATOM 1835 N VAL A 122 1.337 -16.295 2.930 1.00 0.00 N ATOM 1836 CA VAL A 122 0.437 -17.303 2.308 1.00 0.00 C ATOM 1837 C VAL A 122 0.752 -18.767 2.760 1.00 0.00 C ATOM 1838 O VAL A 122 1.752 -19.356 2.344 1.00 0.00 O ATOM 1839 CB VAL A 122 0.422 -17.178 0.729 1.00 0.00 C ATOM 1840 CG1 VAL A 122 -0.520 -18.220 0.074 1.00 0.00 C ATOM 1841 CG2 VAL A 122 0.045 -15.734 0.291 1.00 0.00 C ATOM 0 H VAL A 122 0.835 -15.629 3.517 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.565 -17.077 2.672 1.00 0.00 H new ATOM 0 HB VAL A 122 1.432 -17.391 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.500 -18.099 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.187 -19.225 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.537 -18.070 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 122 0.041 -15.673 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.946 -15.485 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.775 -15.030 0.691 1.00 0.00 H new ATOM 1851 N LEU A 123 -0.134 -19.343 3.602 1.00 0.00 N ATOM 1852 CA LEU A 123 0.020 -20.717 4.163 1.00 0.00 C ATOM 1853 C LEU A 123 -0.065 -21.828 3.069 1.00 0.00 C ATOM 1854 O LEU A 123 0.421 -22.946 3.281 1.00 0.00 O ATOM 1855 CB LEU A 123 -1.045 -20.913 5.302 1.00 0.00 C ATOM 1856 CG LEU A 123 -0.999 -22.254 6.148 1.00 0.00 C ATOM 1857 CD1 LEU A 123 -1.460 -22.024 7.607 1.00 0.00 C ATOM 1858 CD2 LEU A 123 -1.861 -23.374 5.506 1.00 0.00 C ATOM 0 H LEU A 123 -0.982 -18.872 3.917 1.00 0.00 H new ATOM 0 HA LEU A 123 1.020 -20.818 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -0.948 -20.078 5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -2.034 -20.838 4.850 1.00 0.00 H new ATOM 0 HG LEU A 123 0.042 -22.576 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -1.415 -22.965 8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -0.806 -21.294 8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -2.484 -21.651 7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -1.801 -24.275 6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -2.898 -23.045 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -1.489 -23.590 4.504 1.00 0.00 H new ATOM 1870 N GLU A 124 -0.662 -21.507 1.903 1.00 0.00 N ATOM 1871 CA GLU A 124 -0.826 -22.463 0.772 1.00 0.00 C ATOM 1872 C GLU A 124 0.541 -22.978 0.216 1.00 0.00 C ATOM 1873 O GLU A 124 1.163 -22.317 -0.618 1.00 0.00 O ATOM 1874 CB GLU A 124 -1.663 -21.798 -0.363 1.00 0.00 C ATOM 1875 CG GLU A 124 -1.883 -22.676 -1.623 1.00 0.00 C ATOM 1876 CD GLU A 124 -2.635 -21.945 -2.751 1.00 0.00 C ATOM 1877 OE1 GLU A 124 -2.108 -20.932 -3.272 1.00 0.00 O ATOM 1878 OE2 GLU A 124 -3.742 -22.377 -3.138 1.00 0.00 O ATOM 0 H GLU A 124 -1.046 -20.581 1.712 1.00 0.00 H new ATOM 0 HA GLU A 124 -1.355 -23.336 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -2.636 -21.520 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.168 -20.875 -0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -0.916 -23.010 -1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -2.442 -23.569 -1.342 1.00 0.00 H new ATOM 1885 N HIS A 125 1.000 -24.127 0.774 1.00 0.00 N ATOM 1886 CA HIS A 125 2.162 -24.941 0.299 1.00 0.00 C ATOM 1887 C HIS A 125 3.442 -24.131 -0.081 1.00 0.00 C ATOM 1888 O HIS A 125 3.497 -23.495 -1.138 1.00 0.00 O ATOM 1889 CB HIS A 125 1.723 -25.862 -0.880 1.00 0.00 C ATOM 1890 CG HIS A 125 2.811 -26.773 -1.402 1.00 0.00 C ATOM 1891 ND1 HIS A 125 3.158 -27.965 -0.801 1.00 0.00 N ATOM 1892 CD2 HIS A 125 3.649 -26.642 -2.461 1.00 0.00 C ATOM 1893 CE1 HIS A 125 4.154 -28.517 -1.463 1.00 0.00 C ATOM 1894 NE2 HIS A 125 4.467 -27.739 -2.475 1.00 0.00 N ATOM 0 H HIS A 125 0.558 -24.532 1.599 1.00 0.00 H new ATOM 0 HA HIS A 125 2.463 -25.537 1.160 1.00 0.00 H new ATOM 0 HB2 HIS A 125 0.881 -26.472 -0.554 1.00 0.00 H new ATOM 0 HB3 HIS A 125 1.366 -25.237 -1.699 1.00 0.00 H new ATOM 0 HD2 HIS A 125 3.667 -25.822 -3.164 1.00 0.00 H new ATOM 0 HE1 HIS A 125 4.633 -29.453 -1.216 1.00 0.00 H new ATOM 0 HE2 HIS A 125 5.200 -27.923 -3.160 1.00 0.00 H new ATOM 1903 N HIS A 126 4.477 -24.187 0.776 1.00 0.00 N ATOM 1904 CA HIS A 126 5.822 -23.651 0.441 1.00 0.00 C ATOM 1905 C HIS A 126 6.740 -24.779 -0.104 1.00 0.00 C ATOM 1906 O HIS A 126 7.236 -24.698 -1.231 1.00 0.00 O ATOM 1907 CB HIS A 126 6.452 -22.966 1.675 1.00 0.00 C ATOM 1908 CG HIS A 126 5.643 -21.801 2.190 1.00 0.00 C ATOM 1909 ND1 HIS A 126 5.046 -21.782 3.430 1.00 0.00 N ATOM 1910 CD2 HIS A 126 5.325 -20.613 1.614 1.00 0.00 C ATOM 1911 CE1 HIS A 126 4.400 -20.647 3.594 1.00 0.00 C ATOM 1912 NE2 HIS A 126 4.553 -19.916 2.511 1.00 0.00 N ATOM 0 H HIS A 126 4.414 -24.597 1.708 1.00 0.00 H new ATOM 0 HA HIS A 126 5.713 -22.901 -0.343 1.00 0.00 H new ATOM 0 HB2 HIS A 126 6.565 -23.701 2.472 1.00 0.00 H new ATOM 0 HB3 HIS A 126 7.453 -22.619 1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 126 5.624 -20.278 0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 126 3.838 -20.363 4.471 1.00 0.00 H new ATOM 0 HE2 HIS A 126 4.163 -18.985 2.362 1.00 0.00 H new ATOM 1921 N HIS A 127 6.943 -25.834 0.708 1.00 0.00 N ATOM 1922 CA HIS A 127 7.762 -27.027 0.347 1.00 0.00 C ATOM 1923 C HIS A 127 7.124 -28.319 0.931 1.00 0.00 C ATOM 1924 O HIS A 127 5.954 -28.329 1.321 1.00 0.00 O ATOM 1925 CB HIS A 127 9.222 -26.859 0.879 1.00 0.00 C ATOM 1926 CG HIS A 127 10.124 -25.984 0.040 1.00 0.00 C ATOM 1927 ND1 HIS A 127 10.491 -24.704 0.391 1.00 0.00 N ATOM 1928 CD2 HIS A 127 10.788 -26.250 -1.113 1.00 0.00 C ATOM 1929 CE1 HIS A 127 11.334 -24.226 -0.504 1.00 0.00 C ATOM 1930 NE2 HIS A 127 11.532 -25.140 -1.425 1.00 0.00 N ATOM 0 H HIS A 127 6.543 -25.891 1.644 1.00 0.00 H new ATOM 0 HA HIS A 127 7.791 -27.114 -0.739 1.00 0.00 H new ATOM 0 HB2 HIS A 127 9.178 -26.445 1.886 1.00 0.00 H new ATOM 0 HB3 HIS A 127 9.676 -27.846 0.960 1.00 0.00 H new ATOM 0 HD2 HIS A 127 10.740 -27.167 -1.681 1.00 0.00 H new ATOM 0 HE1 HIS A 127 11.786 -23.245 -0.483 1.00 0.00 H new ATOM 0 HE2 HIS A 127 12.139 -25.041 -2.239 1.00 0.00 H new ATOM 1939 N HIS A 128 7.892 -29.421 0.923 1.00 0.00 N ATOM 1940 CA HIS A 128 7.577 -30.645 1.704 1.00 0.00 C ATOM 1941 C HIS A 128 8.483 -30.670 2.957 1.00 0.00 C ATOM 1942 O HIS A 128 8.008 -30.766 4.093 1.00 0.00 O ATOM 1943 CB HIS A 128 7.791 -31.912 0.836 1.00 0.00 C ATOM 1944 CG HIS A 128 6.979 -31.916 -0.438 1.00 0.00 C ATOM 1945 ND1 HIS A 128 5.674 -32.357 -0.499 1.00 0.00 N ATOM 1946 CD2 HIS A 128 7.286 -31.504 -1.696 1.00 0.00 C ATOM 1947 CE1 HIS A 128 5.216 -32.220 -1.727 1.00 0.00 C ATOM 1948 NE2 HIS A 128 6.172 -31.706 -2.470 1.00 0.00 N ATOM 0 H HIS A 128 8.750 -29.496 0.377 1.00 0.00 H new ATOM 0 HA HIS A 128 6.531 -30.634 2.011 1.00 0.00 H new ATOM 0 HB2 HIS A 128 8.848 -31.995 0.584 1.00 0.00 H new ATOM 0 HB3 HIS A 128 7.533 -32.793 1.424 1.00 0.00 H new ATOM 0 HD2 HIS A 128 8.230 -31.094 -2.025 1.00 0.00 H new ATOM 0 HE1 HIS A 128 4.225 -32.485 -2.065 1.00 0.00 H new ATOM 0 HE2 HIS A 128 6.097 -31.492 -3.464 1.00 0.00 H new ATOM 1957 N HIS A 129 9.798 -30.576 2.708 1.00 0.00 N ATOM 1958 CA HIS A 129 10.833 -30.349 3.739 1.00 0.00 C ATOM 1959 C HIS A 129 12.097 -29.772 3.060 1.00 0.00 C ATOM 1960 O HIS A 129 12.470 -30.236 1.974 1.00 0.00 O ATOM 1961 CB HIS A 129 11.153 -31.636 4.544 1.00 0.00 C ATOM 1962 CG HIS A 129 11.581 -32.823 3.718 1.00 0.00 C ATOM 1963 ND1 HIS A 129 12.896 -33.113 3.445 1.00 0.00 N ATOM 1964 CD2 HIS A 129 10.858 -33.807 3.125 1.00 0.00 C ATOM 1965 CE1 HIS A 129 12.968 -34.212 2.727 1.00 0.00 C ATOM 1966 NE2 HIS A 129 11.747 -34.658 2.519 1.00 0.00 N ATOM 0 H HIS A 129 10.184 -30.657 1.767 1.00 0.00 H new ATOM 0 HA HIS A 129 10.452 -29.631 4.466 1.00 0.00 H new ATOM 0 HB2 HIS A 129 11.942 -31.410 5.261 1.00 0.00 H new ATOM 0 HB3 HIS A 129 10.270 -31.914 5.119 1.00 0.00 H new ATOM 0 HD2 HIS A 129 9.782 -33.902 3.129 1.00 0.00 H new ATOM 0 HE1 HIS A 129 13.877 -34.672 2.368 1.00 0.00 H new ATOM 0 HE2 HIS A 129 11.502 -35.498 1.994 1.00 0.00 H new ATOM 1975 N HIS A 130 12.732 -28.769 3.714 1.00 0.00 N ATOM 1976 CA HIS A 130 13.822 -27.932 3.131 1.00 0.00 C ATOM 1977 C HIS A 130 13.269 -26.981 2.010 1.00 0.00 C ATOM 1978 O HIS A 130 13.188 -27.395 0.832 1.00 0.00 O ATOM 1979 CB HIS A 130 15.025 -28.798 2.624 1.00 0.00 C ATOM 1980 CG HIS A 130 16.181 -28.005 2.057 1.00 0.00 C ATOM 1981 ND1 HIS A 130 16.189 -27.503 0.767 1.00 0.00 N ATOM 1982 CD2 HIS A 130 17.362 -27.626 2.601 1.00 0.00 C ATOM 1983 CE1 HIS A 130 17.316 -26.859 0.548 1.00 0.00 C ATOM 1984 NE2 HIS A 130 18.043 -26.917 1.642 1.00 0.00 N ATOM 1985 OXT HIS A 130 12.919 -25.818 2.319 1.00 0.00 O ATOM 0 H HIS A 130 12.502 -28.511 4.674 1.00 0.00 H new ATOM 0 HA HIS A 130 14.211 -27.303 3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 130 15.391 -29.406 3.451 1.00 0.00 H new ATOM 0 HB3 HIS A 130 14.663 -29.485 1.859 1.00 0.00 H new ATOM 0 HD1 HIS A 130 15.436 -27.615 0.089 1.00 0.00 H new ATOM 0 HD2 HIS A 130 17.704 -27.841 3.602 1.00 0.00 H new ATOM 0 HE1 HIS A 130 17.595 -26.367 -0.372 1.00 0.00 H new TER 1994 HIS A 130