USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 886 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: B 17 MET CE :methyl -157:sc= 0 (180deg=-0.109) USER MOD Set 1.2: B 18 SER OG : rot 127:sc= -0.828 USER MOD Set 1.3: B 23 GLN : amide:sc= -1.1 K(o=-1.9,f=-3) USER MOD Set 2.1: A 17 MET CE :methyl -158:sc= 0 (180deg=-0.139) USER MOD Set 2.2: A 18 SER OG : rot 129:sc= -0.822! USER MOD Set 2.3: A 23 GLN : amide:sc= -1.11 K(o=-1.9,f=-3) USER MOD Single : A 12 ASN : amide:sc= -0.74 K(o=-0.74,f=-0.19) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0698 K(o=-0.07,f=-0.59) USER MOD Single : A 25 LYS NZ :NH3+ -133:sc= -0.0241 (180deg=-0.244) USER MOD Single : A 27 HIS : no HD1:sc= -0.0823 X(o=-0.082,f=-0.0049) USER MOD Single : A 33 MET CE :methyl 140:sc= -5.82! (180deg=-13.7!) USER MOD Single : A 34 MET CE :methyl -126:sc= -0.719 (180deg=-1.35) USER MOD Single : A 35 GLN : amide:sc= -6.61! C(o=-6.6!,f=-6.3!) USER MOD Single : A 36 HIS : no HD1:sc= -4.28 X(o=-4.3,f=-4.3!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc=-0.00645 K(o=-0.0064,f=-1.5!) USER MOD Single : A 47 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.1!) USER MOD Single : A 51 GLN : amide:sc= -0.657 K(o=-0.66,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0425 X(o=-0.043,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot -65:sc= 0.0786 USER MOD Single : B 12 ASN : amide:sc= -0.715 K(o=-0.71,f=-0.17) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= -0.093 K(o=-0.093,f=-0.66) USER MOD Single : B 25 LYS NZ :NH3+ -133:sc= -0.019 (180deg=-0.248) USER MOD Single : B 27 HIS : no HD1:sc= -0.09 X(o=-0.09,f=0) USER MOD Single : B 33 MET CE :methyl 135:sc= -5.57! (180deg=-13.6!) USER MOD Single : B 34 MET CE :methyl -124:sc= -0.629 (180deg=-1.24) USER MOD Single : B 35 GLN : amide:sc= -6.65! C(o=-6.6!,f=-6!) USER MOD Single : B 36 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-4.1!) USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : B 39 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1.6!) USER MOD Single : B 47 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.2!) USER MOD Single : B 51 GLN : amide:sc= -0.715 K(o=-0.71,f=-0.0011) USER MOD Single : B 53 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 SER OG : rot -63:sc= 0.0938 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -15.346 23.644 -29.592 1.00 0.00 N ATOM 2 CA LEU A 8 -15.579 23.745 -31.061 1.00 0.00 C ATOM 3 C LEU A 8 -16.418 22.561 -31.549 1.00 0.00 C ATOM 4 O LEU A 8 -15.898 21.513 -31.877 1.00 0.00 O ATOM 5 CB LEU A 8 -14.183 23.707 -31.687 1.00 0.00 C ATOM 6 CG LEU A 8 -13.583 25.114 -31.682 1.00 0.00 C ATOM 7 CD1 LEU A 8 -13.044 25.436 -30.287 1.00 0.00 C ATOM 8 CD2 LEU A 8 -12.439 25.181 -32.697 1.00 0.00 C ATOM 0 HA LEU A 8 -16.123 24.650 -31.330 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.541 23.025 -31.130 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -14.241 23.328 -32.707 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.353 25.838 -31.949 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.617 26.439 -30.285 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.857 25.386 -29.562 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.274 24.713 -30.019 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.010 26.183 -32.696 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.671 24.456 -32.428 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.821 24.952 -33.692 1.00 0.00 H new ATOM 20 N GLU A 9 -17.712 22.720 -31.598 1.00 0.00 N ATOM 21 CA GLU A 9 -18.584 21.602 -32.063 1.00 0.00 C ATOM 22 C GLU A 9 -18.283 20.327 -31.265 1.00 0.00 C ATOM 23 O GLU A 9 -17.716 19.390 -31.791 1.00 0.00 O ATOM 24 CB GLU A 9 -18.226 21.409 -33.537 1.00 0.00 C ATOM 25 CG GLU A 9 -19.489 21.065 -34.328 1.00 0.00 C ATOM 26 CD GLU A 9 -20.046 22.333 -34.979 1.00 0.00 C ATOM 27 OE1 GLU A 9 -19.315 22.963 -35.725 1.00 0.00 O ATOM 28 OE2 GLU A 9 -21.195 22.652 -34.718 1.00 0.00 O ATOM 0 H GLU A 9 -18.204 23.575 -31.337 1.00 0.00 H new ATOM 0 HA GLU A 9 -19.643 21.819 -31.925 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -17.772 22.317 -33.934 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -17.490 20.612 -33.642 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -19.261 20.322 -35.092 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -20.236 20.625 -33.667 1.00 0.00 H new ATOM 35 N PRO A 10 -18.673 20.331 -30.013 1.00 0.00 N ATOM 36 CA PRO A 10 -18.436 19.151 -29.145 1.00 0.00 C ATOM 37 C PRO A 10 -19.378 18.006 -29.528 1.00 0.00 C ATOM 38 O PRO A 10 -18.966 16.873 -29.662 1.00 0.00 O ATOM 39 CB PRO A 10 -18.753 19.669 -27.744 1.00 0.00 C ATOM 40 CG PRO A 10 -19.690 20.814 -27.955 1.00 0.00 C ATOM 41 CD PRO A 10 -19.362 21.415 -29.297 1.00 0.00 C ATOM 0 HA PRO A 10 -17.425 18.753 -29.230 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -19.211 18.893 -27.131 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -17.848 19.990 -27.228 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -20.725 20.474 -27.928 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -19.577 21.555 -27.163 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -20.262 21.732 -29.823 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -18.726 22.294 -29.196 1.00 0.00 H new ATOM 49 N ASP A 11 -20.641 18.299 -29.704 1.00 0.00 N ATOM 50 CA ASP A 11 -21.625 17.236 -30.079 1.00 0.00 C ATOM 51 C ASP A 11 -21.663 16.146 -29.004 1.00 0.00 C ATOM 52 O ASP A 11 -22.515 16.146 -28.137 1.00 0.00 O ATOM 53 CB ASP A 11 -21.131 16.666 -31.412 1.00 0.00 C ATOM 54 CG ASP A 11 -22.077 17.099 -32.534 1.00 0.00 C ATOM 55 OD1 ASP A 11 -22.204 18.293 -32.747 1.00 0.00 O ATOM 56 OD2 ASP A 11 -22.657 16.228 -33.161 1.00 0.00 O ATOM 0 H ASP A 11 -21.036 19.234 -29.604 1.00 0.00 H new ATOM 0 HA ASP A 11 -22.637 17.632 -30.166 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -20.120 17.018 -31.618 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -21.085 15.578 -31.360 1.00 0.00 H new ATOM 61 N ASN A 12 -20.748 15.219 -29.050 1.00 0.00 N ATOM 62 CA ASN A 12 -20.734 14.133 -28.028 1.00 0.00 C ATOM 63 C ASN A 12 -19.310 13.603 -27.827 1.00 0.00 C ATOM 64 O ASN A 12 -19.109 12.518 -27.317 1.00 0.00 O ATOM 65 CB ASN A 12 -21.636 13.040 -28.601 1.00 0.00 C ATOM 66 CG ASN A 12 -21.094 12.592 -29.961 1.00 0.00 C ATOM 67 OD1 ASN A 12 -21.615 12.971 -30.991 1.00 0.00 O ATOM 68 ND2 ASN A 12 -20.061 11.795 -30.007 1.00 0.00 N ATOM 0 H ASN A 12 -20.009 15.165 -29.751 1.00 0.00 H new ATOM 0 HA ASN A 12 -21.079 14.482 -27.055 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -21.678 12.192 -27.917 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -22.654 13.413 -28.708 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -19.691 11.491 -30.908 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -19.623 11.477 -29.142 1.00 0.00 H new ATOM 75 N VAL A 13 -18.320 14.356 -28.224 1.00 0.00 N ATOM 76 CA VAL A 13 -16.915 13.887 -28.054 1.00 0.00 C ATOM 77 C VAL A 13 -16.400 14.245 -26.644 1.00 0.00 C ATOM 78 O VAL A 13 -16.075 13.364 -25.875 1.00 0.00 O ATOM 79 CB VAL A 13 -16.129 14.593 -29.178 1.00 0.00 C ATOM 80 CG1 VAL A 13 -14.645 14.739 -28.811 1.00 0.00 C ATOM 81 CG2 VAL A 13 -16.242 13.760 -30.457 1.00 0.00 C ATOM 0 H VAL A 13 -18.423 15.273 -28.658 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.808 12.805 -28.131 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.549 15.588 -29.323 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.117 15.240 -29.622 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.552 15.329 -27.899 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.211 13.752 -28.651 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -15.690 14.249 -31.260 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.826 12.768 -30.283 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.291 13.669 -30.741 1.00 0.00 H new ATOM 91 N PRO A 14 -16.343 15.521 -26.342 1.00 0.00 N ATOM 92 CA PRO A 14 -15.863 15.953 -25.006 1.00 0.00 C ATOM 93 C PRO A 14 -16.934 15.680 -23.949 1.00 0.00 C ATOM 94 O PRO A 14 -16.657 15.161 -22.886 1.00 0.00 O ATOM 95 CB PRO A 14 -15.638 17.451 -25.169 1.00 0.00 C ATOM 96 CG PRO A 14 -16.543 17.860 -26.287 1.00 0.00 C ATOM 97 CD PRO A 14 -16.707 16.665 -27.188 1.00 0.00 C ATOM 0 HA PRO A 14 -14.965 15.427 -24.682 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -15.877 17.988 -24.251 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -14.596 17.670 -25.404 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.509 18.186 -25.900 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.120 18.701 -26.837 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.730 16.580 -27.554 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.061 16.735 -28.063 1.00 0.00 H new ATOM 105 N MET A 15 -18.157 16.029 -24.237 1.00 0.00 N ATOM 106 CA MET A 15 -19.254 15.795 -23.255 1.00 0.00 C ATOM 107 C MET A 15 -18.894 16.419 -21.904 1.00 0.00 C ATOM 108 O MET A 15 -18.006 17.243 -21.806 1.00 0.00 O ATOM 109 CB MET A 15 -19.362 14.275 -23.133 1.00 0.00 C ATOM 110 CG MET A 15 -20.772 13.831 -23.531 1.00 0.00 C ATOM 111 SD MET A 15 -20.666 12.387 -24.619 1.00 0.00 S ATOM 112 CE MET A 15 -22.441 12.048 -24.720 1.00 0.00 C ATOM 0 H MET A 15 -18.445 16.467 -25.112 1.00 0.00 H new ATOM 0 HA MET A 15 -20.195 16.244 -23.572 1.00 0.00 H new ATOM 0 HB2 MET A 15 -18.623 13.794 -23.774 1.00 0.00 H new ATOM 0 HB3 MET A 15 -19.146 13.965 -22.110 1.00 0.00 H new ATOM 0 HG2 MET A 15 -21.353 13.587 -22.641 1.00 0.00 H new ATOM 0 HG3 MET A 15 -21.291 14.644 -24.038 1.00 0.00 H new ATOM 0 HE1 MET A 15 -22.610 11.178 -25.355 1.00 0.00 H new ATOM 0 HE2 MET A 15 -22.831 11.849 -23.722 1.00 0.00 H new ATOM 0 HE3 MET A 15 -22.953 12.912 -25.144 1.00 0.00 H new ATOM 122 N ASP A 16 -19.577 16.034 -20.861 1.00 0.00 N ATOM 123 CA ASP A 16 -19.273 16.606 -19.517 1.00 0.00 C ATOM 124 C ASP A 16 -19.182 15.488 -18.474 1.00 0.00 C ATOM 125 O ASP A 16 -19.669 15.617 -17.368 1.00 0.00 O ATOM 126 CB ASP A 16 -20.447 17.535 -19.207 1.00 0.00 C ATOM 127 CG ASP A 16 -20.497 18.658 -20.244 1.00 0.00 C ATOM 128 OD1 ASP A 16 -19.492 19.331 -20.407 1.00 0.00 O ATOM 129 OD2 ASP A 16 -21.539 18.828 -20.856 1.00 0.00 O ATOM 0 H ASP A 16 -20.332 15.349 -20.880 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.320 17.134 -19.499 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -21.381 16.974 -19.218 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.339 17.954 -18.207 1.00 0.00 H new ATOM 134 N MET A 17 -18.562 14.393 -18.817 1.00 0.00 N ATOM 135 CA MET A 17 -18.441 13.268 -17.846 1.00 0.00 C ATOM 136 C MET A 17 -17.685 13.729 -16.597 1.00 0.00 C ATOM 137 O MET A 17 -17.939 13.269 -15.500 1.00 0.00 O ATOM 138 CB MET A 17 -17.647 12.191 -18.584 1.00 0.00 C ATOM 139 CG MET A 17 -16.279 12.747 -18.985 1.00 0.00 C ATOM 140 SD MET A 17 -15.701 11.909 -20.481 1.00 0.00 S ATOM 141 CE MET A 17 -15.390 10.292 -19.730 1.00 0.00 C ATOM 0 H MET A 17 -18.134 14.228 -19.728 1.00 0.00 H new ATOM 0 HA MET A 17 -19.413 12.902 -17.514 1.00 0.00 H new ATOM 0 HB2 MET A 17 -17.523 11.316 -17.947 1.00 0.00 H new ATOM 0 HB3 MET A 17 -18.192 11.865 -19.470 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.348 13.821 -19.161 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.564 12.602 -18.175 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.680 9.737 -20.343 1.00 0.00 H new ATOM 0 HE2 MET A 17 -14.977 10.428 -18.730 1.00 0.00 H new ATOM 0 HE3 MET A 17 -16.325 9.736 -19.664 1.00 0.00 H new ATOM 151 N SER A 18 -16.759 14.636 -16.752 1.00 0.00 N ATOM 152 CA SER A 18 -15.989 15.125 -15.572 1.00 0.00 C ATOM 153 C SER A 18 -15.400 16.512 -15.864 1.00 0.00 C ATOM 154 O SER A 18 -15.377 16.945 -16.999 1.00 0.00 O ATOM 155 CB SER A 18 -14.875 14.100 -15.374 1.00 0.00 C ATOM 156 OG SER A 18 -15.405 12.793 -15.549 1.00 0.00 O ATOM 0 H SER A 18 -16.502 15.059 -17.644 1.00 0.00 H new ATOM 0 HA SER A 18 -16.612 15.225 -14.683 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.070 14.277 -16.088 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.445 14.200 -14.377 1.00 0.00 H new ATOM 0 HG SER A 18 -14.847 12.296 -16.182 1.00 0.00 H new ATOM 162 N PRO A 19 -14.942 17.169 -14.824 1.00 0.00 N ATOM 163 CA PRO A 19 -14.352 18.516 -14.977 1.00 0.00 C ATOM 164 C PRO A 19 -12.863 18.444 -15.347 1.00 0.00 C ATOM 165 O PRO A 19 -12.143 19.414 -15.231 1.00 0.00 O ATOM 166 CB PRO A 19 -14.547 19.141 -13.601 1.00 0.00 C ATOM 167 CG PRO A 19 -14.643 17.991 -12.639 1.00 0.00 C ATOM 168 CD PRO A 19 -14.937 16.733 -13.425 1.00 0.00 C ATOM 0 HA PRO A 19 -14.816 19.090 -15.779 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.713 19.795 -13.347 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.450 19.751 -13.573 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.711 17.882 -12.084 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.430 18.174 -11.907 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.180 15.969 -13.250 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.897 16.302 -13.140 1.00 0.00 H new ATOM 176 N LYS A 20 -12.406 17.310 -15.813 1.00 0.00 N ATOM 177 CA LYS A 20 -10.968 17.162 -16.218 1.00 0.00 C ATOM 178 C LYS A 20 -10.024 17.328 -15.019 1.00 0.00 C ATOM 179 O LYS A 20 -9.365 16.392 -14.610 1.00 0.00 O ATOM 180 CB LYS A 20 -10.717 18.262 -17.256 1.00 0.00 C ATOM 181 CG LYS A 20 -9.461 17.927 -18.062 1.00 0.00 C ATOM 182 CD LYS A 20 -8.227 18.454 -17.328 1.00 0.00 C ATOM 183 CE LYS A 20 -7.321 19.193 -18.315 1.00 0.00 C ATOM 184 NZ LYS A 20 -5.971 18.596 -18.120 1.00 0.00 N ATOM 0 H LYS A 20 -12.971 16.469 -15.933 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.775 16.167 -16.620 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.576 18.351 -17.921 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.597 19.225 -16.759 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.382 16.849 -18.200 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.524 18.372 -19.055 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.529 19.124 -16.523 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.684 17.628 -16.868 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.666 19.063 -19.341 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.311 20.265 -18.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.293 19.052 -18.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.666 18.741 -17.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.009 17.577 -18.324 1.00 0.00 H new ATOM 198 N ALA A 21 -9.939 18.510 -14.464 1.00 0.00 N ATOM 199 CA ALA A 21 -9.024 18.739 -13.301 1.00 0.00 C ATOM 200 C ALA A 21 -9.164 17.620 -12.263 1.00 0.00 C ATOM 201 O ALA A 21 -8.187 17.093 -11.768 1.00 0.00 O ATOM 202 CB ALA A 21 -9.472 20.076 -12.708 1.00 0.00 C ATOM 0 H ALA A 21 -10.465 19.330 -14.766 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.977 18.748 -13.604 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.849 20.319 -11.847 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.373 20.859 -13.460 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.513 20.004 -12.394 1.00 0.00 H new ATOM 208 N LEU A 22 -10.369 17.250 -11.935 1.00 0.00 N ATOM 209 CA LEU A 22 -10.572 16.162 -10.937 1.00 0.00 C ATOM 210 C LEU A 22 -10.396 14.808 -11.617 1.00 0.00 C ATOM 211 O LEU A 22 -9.710 13.933 -11.128 1.00 0.00 O ATOM 212 CB LEU A 22 -12.011 16.328 -10.450 1.00 0.00 C ATOM 213 CG LEU A 22 -12.086 17.490 -9.460 1.00 0.00 C ATOM 214 CD1 LEU A 22 -11.860 18.805 -10.205 1.00 0.00 C ATOM 215 CD2 LEU A 22 -13.467 17.509 -8.800 1.00 0.00 C ATOM 0 H LEU A 22 -11.225 17.654 -12.315 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.859 16.213 -10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.673 16.514 -11.296 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.353 15.409 -9.974 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.320 17.368 -8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.913 19.636 -9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.878 18.792 -10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.628 18.927 -10.969 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.521 18.337 -8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.234 17.633 -9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.630 16.570 -8.271 1.00 0.00 H new ATOM 227 N GLN A 23 -11.020 14.637 -12.747 1.00 0.00 N ATOM 228 CA GLN A 23 -10.902 13.342 -13.480 1.00 0.00 C ATOM 229 C GLN A 23 -9.429 12.973 -13.674 1.00 0.00 C ATOM 230 O GLN A 23 -8.993 11.903 -13.299 1.00 0.00 O ATOM 231 CB GLN A 23 -11.575 13.590 -14.830 1.00 0.00 C ATOM 232 CG GLN A 23 -11.737 12.262 -15.572 1.00 0.00 C ATOM 233 CD GLN A 23 -12.442 12.505 -16.907 1.00 0.00 C ATOM 234 OE1 GLN A 23 -13.306 11.745 -17.298 1.00 0.00 O ATOM 235 NE2 GLN A 23 -12.107 13.539 -17.630 1.00 0.00 N ATOM 0 H GLN A 23 -11.608 15.338 -13.198 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.365 12.518 -12.938 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -12.549 14.057 -14.682 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -10.977 14.280 -15.425 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.761 11.807 -15.742 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -12.314 11.563 -14.966 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.382 14.177 -17.302 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.570 13.709 -18.523 1.00 0.00 H new ATOM 244 N GLN A 24 -8.660 13.850 -14.257 1.00 0.00 N ATOM 245 CA GLN A 24 -7.215 13.549 -14.475 1.00 0.00 C ATOM 246 C GLN A 24 -6.506 13.361 -13.132 1.00 0.00 C ATOM 247 O GLN A 24 -5.757 12.423 -12.941 1.00 0.00 O ATOM 248 CB GLN A 24 -6.662 14.771 -15.209 1.00 0.00 C ATOM 249 CG GLN A 24 -5.212 14.506 -15.620 1.00 0.00 C ATOM 250 CD GLN A 24 -5.187 13.815 -16.985 1.00 0.00 C ATOM 251 OE1 GLN A 24 -5.869 14.228 -17.901 1.00 0.00 O ATOM 252 NE2 GLN A 24 -4.423 12.772 -17.160 1.00 0.00 N ATOM 0 H GLN A 24 -8.968 14.763 -14.592 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.065 12.631 -15.043 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.268 14.984 -16.090 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.714 15.649 -14.566 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.658 15.444 -15.665 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.720 13.881 -14.875 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.850 12.425 -16.391 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.399 12.304 -18.066 1.00 0.00 H new ATOM 261 N LYS A 25 -6.734 14.246 -12.200 1.00 0.00 N ATOM 262 CA LYS A 25 -6.070 14.117 -10.871 1.00 0.00 C ATOM 263 C LYS A 25 -6.425 12.774 -10.228 1.00 0.00 C ATOM 264 O LYS A 25 -5.561 12.029 -9.808 1.00 0.00 O ATOM 265 CB LYS A 25 -6.626 15.274 -10.038 1.00 0.00 C ATOM 266 CG LYS A 25 -5.879 16.562 -10.389 1.00 0.00 C ATOM 267 CD LYS A 25 -6.541 17.745 -9.681 1.00 0.00 C ATOM 268 CE LYS A 25 -5.955 17.893 -8.275 1.00 0.00 C ATOM 269 NZ LYS A 25 -4.655 18.592 -8.473 1.00 0.00 N ATOM 0 H LYS A 25 -7.351 15.052 -12.301 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.983 14.153 -10.947 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.692 15.395 -10.231 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.517 15.056 -8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.834 16.483 -10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.889 16.718 -11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.380 18.660 -10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.618 17.591 -9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.618 18.468 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.813 16.921 -7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.913 18.105 -7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.407 18.584 -9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.736 19.575 -8.144 1.00 0.00 H new ATOM 283 N ILE A 26 -7.688 12.459 -10.147 1.00 0.00 N ATOM 284 CA ILE A 26 -8.097 11.164 -9.530 1.00 0.00 C ATOM 285 C ILE A 26 -7.377 10.001 -10.217 1.00 0.00 C ATOM 286 O ILE A 26 -6.673 9.236 -9.588 1.00 0.00 O ATOM 287 CB ILE A 26 -9.606 11.074 -9.762 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.305 12.204 -9.002 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.121 9.725 -9.255 1.00 0.00 C ATOM 290 CD1 ILE A 26 -11.702 12.422 -9.587 1.00 0.00 C ATOM 0 H ILE A 26 -8.455 13.042 -10.481 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.844 11.112 -8.471 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.817 11.166 -10.828 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.377 11.955 -7.943 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.721 13.122 -9.075 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.196 9.661 -9.420 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.622 8.919 -9.794 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.912 9.633 -8.189 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.201 13.226 -9.047 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.618 12.690 -10.640 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.284 11.505 -9.491 1.00 0.00 H new ATOM 302 N HIS A 27 -7.547 9.860 -11.503 1.00 0.00 N ATOM 303 CA HIS A 27 -6.873 8.745 -12.228 1.00 0.00 C ATOM 304 C HIS A 27 -5.352 8.867 -12.096 1.00 0.00 C ATOM 305 O HIS A 27 -4.635 7.888 -12.144 1.00 0.00 O ATOM 306 CB HIS A 27 -7.300 8.907 -13.687 1.00 0.00 C ATOM 307 CG HIS A 27 -8.698 8.383 -13.863 1.00 0.00 C ATOM 308 ND1 HIS A 27 -8.995 7.347 -14.735 1.00 0.00 N ATOM 309 CD2 HIS A 27 -9.891 8.742 -13.286 1.00 0.00 C ATOM 310 CE1 HIS A 27 -10.319 7.121 -14.660 1.00 0.00 C ATOM 311 NE2 HIS A 27 -10.913 7.943 -13.790 1.00 0.00 N ATOM 0 H HIS A 27 -8.124 10.469 -12.084 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.147 7.769 -11.828 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.255 9.957 -13.975 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.614 8.368 -14.340 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.017 9.525 -12.553 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.838 6.367 -15.233 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.903 7.977 -13.547 1.00 0.00 H new ATOM 319 N GLU A 28 -4.855 10.062 -11.933 1.00 0.00 N ATOM 320 CA GLU A 28 -3.380 10.244 -11.801 1.00 0.00 C ATOM 321 C GLU A 28 -2.927 9.918 -10.375 1.00 0.00 C ATOM 322 O GLU A 28 -1.900 9.304 -10.166 1.00 0.00 O ATOM 323 CB GLU A 28 -3.134 11.720 -12.116 1.00 0.00 C ATOM 324 CG GLU A 28 -3.058 11.914 -13.631 1.00 0.00 C ATOM 325 CD GLU A 28 -1.852 11.151 -14.183 1.00 0.00 C ATOM 326 OE1 GLU A 28 -0.951 10.866 -13.410 1.00 0.00 O ATOM 327 OE2 GLU A 28 -1.849 10.864 -15.368 1.00 0.00 O ATOM 0 H GLU A 28 -5.405 10.920 -11.885 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.824 9.585 -12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.936 12.330 -11.701 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.207 12.052 -11.649 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.974 11.556 -14.101 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.971 12.974 -13.869 1.00 0.00 H new ATOM 334 N LEU A 29 -3.684 10.324 -9.393 1.00 0.00 N ATOM 335 CA LEU A 29 -3.294 10.037 -7.982 1.00 0.00 C ATOM 336 C LEU A 29 -3.505 8.555 -7.663 1.00 0.00 C ATOM 337 O LEU A 29 -2.737 7.950 -6.941 1.00 0.00 O ATOM 338 CB LEU A 29 -4.218 10.908 -7.132 1.00 0.00 C ATOM 339 CG LEU A 29 -3.755 12.364 -7.204 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.883 13.283 -6.729 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.532 12.555 -6.306 1.00 0.00 C ATOM 0 H LEU A 29 -4.555 10.842 -9.506 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.243 10.253 -7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.245 10.824 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.210 10.564 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.494 12.611 -8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.553 14.321 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.756 13.148 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.145 13.036 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.202 13.592 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.794 12.308 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.728 11.901 -6.643 1.00 0.00 H new ATOM 353 N GLU A 30 -4.540 7.964 -8.195 1.00 0.00 N ATOM 354 CA GLU A 30 -4.797 6.521 -7.922 1.00 0.00 C ATOM 355 C GLU A 30 -3.714 5.660 -8.577 1.00 0.00 C ATOM 356 O GLU A 30 -3.168 4.761 -7.967 1.00 0.00 O ATOM 357 CB GLU A 30 -6.162 6.236 -8.549 1.00 0.00 C ATOM 358 CG GLU A 30 -6.857 5.113 -7.775 1.00 0.00 C ATOM 359 CD GLU A 30 -6.686 3.793 -8.528 1.00 0.00 C ATOM 360 OE1 GLU A 30 -5.638 3.603 -9.122 1.00 0.00 O ATOM 361 OE2 GLU A 30 -7.608 2.994 -8.498 1.00 0.00 O ATOM 0 H GLU A 30 -5.219 8.418 -8.807 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.784 6.292 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.776 7.136 -8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.041 5.951 -9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.433 5.031 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.916 5.341 -7.655 1.00 0.00 H new ATOM 368 N GLY A 31 -3.399 5.928 -9.815 1.00 0.00 N ATOM 369 CA GLY A 31 -2.351 5.125 -10.508 1.00 0.00 C ATOM 370 C GLY A 31 -1.051 5.183 -9.705 1.00 0.00 C ATOM 371 O GLY A 31 -0.303 4.228 -9.646 1.00 0.00 O ATOM 0 H GLY A 31 -3.821 6.668 -10.376 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.680 4.091 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.187 5.512 -11.514 1.00 0.00 H new ATOM 375 N LEU A 32 -0.776 6.297 -9.082 1.00 0.00 N ATOM 376 CA LEU A 32 0.476 6.414 -8.281 1.00 0.00 C ATOM 377 C LEU A 32 0.399 5.504 -7.051 1.00 0.00 C ATOM 378 O LEU A 32 1.374 4.902 -6.648 1.00 0.00 O ATOM 379 CB LEU A 32 0.540 7.882 -7.859 1.00 0.00 C ATOM 380 CG LEU A 32 1.935 8.196 -7.314 1.00 0.00 C ATOM 381 CD1 LEU A 32 2.972 8.007 -8.422 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.973 9.646 -6.824 1.00 0.00 C ATOM 0 H LEU A 32 -1.364 7.131 -9.093 1.00 0.00 H new ATOM 0 HA LEU A 32 1.359 6.114 -8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.317 8.526 -8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.214 8.086 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 32 2.162 7.524 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.965 8.231 -8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.944 6.976 -8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.747 8.679 -9.250 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.966 9.873 -6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.746 10.316 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.234 9.783 -6.034 1.00 0.00 H new ATOM 394 N MET A 33 -0.757 5.401 -6.455 1.00 0.00 N ATOM 395 CA MET A 33 -0.905 4.531 -5.253 1.00 0.00 C ATOM 396 C MET A 33 -0.730 3.059 -5.640 1.00 0.00 C ATOM 397 O MET A 33 -0.396 2.228 -4.820 1.00 0.00 O ATOM 398 CB MET A 33 -2.331 4.786 -4.762 1.00 0.00 C ATOM 399 CG MET A 33 -2.314 5.129 -3.269 1.00 0.00 C ATOM 400 SD MET A 33 -3.989 5.550 -2.731 1.00 0.00 S ATOM 401 CE MET A 33 -4.756 3.956 -3.120 1.00 0.00 C ATOM 0 H MET A 33 -1.607 5.882 -6.749 1.00 0.00 H new ATOM 0 HA MET A 33 -0.160 4.749 -4.488 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.779 5.604 -5.327 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.948 3.904 -4.935 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.937 4.283 -2.694 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.640 5.965 -3.084 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.462 3.690 -2.333 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.283 4.028 -4.071 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.985 3.189 -3.190 1.00 0.00 H new ATOM 411 N MET A 34 -0.958 2.733 -6.883 1.00 0.00 N ATOM 412 CA MET A 34 -0.811 1.314 -7.323 1.00 0.00 C ATOM 413 C MET A 34 0.663 0.976 -7.563 1.00 0.00 C ATOM 414 O MET A 34 1.207 0.070 -6.963 1.00 0.00 O ATOM 415 CB MET A 34 -1.602 1.221 -8.629 1.00 0.00 C ATOM 416 CG MET A 34 -1.939 -0.243 -8.917 1.00 0.00 C ATOM 417 SD MET A 34 -3.637 -0.585 -8.392 1.00 0.00 S ATOM 418 CE MET A 34 -3.236 -1.289 -6.773 1.00 0.00 C ATOM 0 H MET A 34 -1.240 3.387 -7.614 1.00 0.00 H new ATOM 0 HA MET A 34 -1.175 0.612 -6.572 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.517 1.808 -8.555 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.020 1.640 -9.450 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.827 -0.451 -9.981 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.245 -0.898 -8.390 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.696 -2.273 -6.680 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.155 -1.384 -6.675 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.616 -0.635 -5.988 1.00 0.00 H new ATOM 428 N GLN A 35 1.316 1.694 -8.439 1.00 0.00 N ATOM 429 CA GLN A 35 2.755 1.407 -8.717 1.00 0.00 C ATOM 430 C GLN A 35 3.543 1.312 -7.407 1.00 0.00 C ATOM 431 O GLN A 35 4.482 0.549 -7.289 1.00 0.00 O ATOM 432 CB GLN A 35 3.242 2.592 -9.553 1.00 0.00 C ATOM 433 CG GLN A 35 3.001 3.894 -8.786 1.00 0.00 C ATOM 434 CD GLN A 35 3.486 5.077 -9.625 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.563 5.595 -9.401 1.00 0.00 O ATOM 436 NE2 GLN A 35 2.732 5.531 -10.589 1.00 0.00 N ATOM 0 H GLN A 35 0.916 2.465 -8.973 1.00 0.00 H new ATOM 0 HA GLN A 35 2.892 0.458 -9.236 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.303 2.481 -9.777 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.716 2.617 -10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.940 4.005 -8.561 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.529 3.870 -7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.828 5.097 -10.777 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.046 6.320 -11.154 1.00 0.00 H new ATOM 445 N HIS A 36 3.166 2.080 -6.421 1.00 0.00 N ATOM 446 CA HIS A 36 3.888 2.030 -5.119 1.00 0.00 C ATOM 447 C HIS A 36 3.412 0.827 -4.299 1.00 0.00 C ATOM 448 O HIS A 36 4.192 -0.021 -3.913 1.00 0.00 O ATOM 449 CB HIS A 36 3.526 3.338 -4.418 1.00 0.00 C ATOM 450 CG HIS A 36 4.241 4.480 -5.085 1.00 0.00 C ATOM 451 ND1 HIS A 36 5.570 4.397 -5.470 1.00 0.00 N ATOM 452 CD2 HIS A 36 3.825 5.739 -5.443 1.00 0.00 C ATOM 453 CE1 HIS A 36 5.904 5.574 -6.031 1.00 0.00 C ATOM 454 NE2 HIS A 36 4.877 6.428 -6.039 1.00 0.00 N ATOM 0 H HIS A 36 2.389 2.740 -6.461 1.00 0.00 H new ATOM 0 HA HIS A 36 4.965 1.921 -5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.448 3.497 -4.457 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.803 3.287 -3.365 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.832 6.134 -5.286 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.883 5.800 -6.427 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.866 7.381 -6.404 1.00 0.00 H new ATOM 462 N ALA A 37 2.133 0.745 -4.033 1.00 0.00 N ATOM 463 CA ALA A 37 1.600 -0.407 -3.245 1.00 0.00 C ATOM 464 C ALA A 37 2.132 -1.725 -3.817 1.00 0.00 C ATOM 465 O ALA A 37 2.273 -2.707 -3.116 1.00 0.00 O ATOM 466 CB ALA A 37 0.079 -0.323 -3.404 1.00 0.00 C ATOM 0 H ALA A 37 1.434 1.427 -4.328 1.00 0.00 H new ATOM 0 HA ALA A 37 1.901 -0.371 -2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.390 -1.138 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.276 0.631 -3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.181 -0.402 -4.459 1.00 0.00 H new ATOM 472 N GLN A 38 2.441 -1.745 -5.086 1.00 0.00 N ATOM 473 CA GLN A 38 2.979 -2.990 -5.705 1.00 0.00 C ATOM 474 C GLN A 38 4.458 -3.140 -5.343 1.00 0.00 C ATOM 475 O GLN A 38 4.935 -4.223 -5.065 1.00 0.00 O ATOM 476 CB GLN A 38 2.810 -2.791 -7.212 1.00 0.00 C ATOM 477 CG GLN A 38 1.585 -3.568 -7.695 1.00 0.00 C ATOM 478 CD GLN A 38 1.632 -3.701 -9.219 1.00 0.00 C ATOM 479 OE1 GLN A 38 1.772 -2.719 -9.921 1.00 0.00 O ATOM 480 NE2 GLN A 38 1.521 -4.882 -9.762 1.00 0.00 N ATOM 0 H GLN A 38 2.344 -0.952 -5.721 1.00 0.00 H new ATOM 0 HA GLN A 38 2.466 -3.888 -5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.694 -1.731 -7.439 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.702 -3.134 -7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.563 -4.555 -7.234 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.673 -3.054 -7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.404 -5.706 -9.172 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.552 -4.982 -10.777 1.00 0.00 H new ATOM 489 N ASN A 39 5.184 -2.054 -5.335 1.00 0.00 N ATOM 490 CA ASN A 39 6.629 -2.122 -4.979 1.00 0.00 C ATOM 491 C ASN A 39 6.807 -1.797 -3.493 1.00 0.00 C ATOM 492 O ASN A 39 7.826 -1.284 -3.075 1.00 0.00 O ATOM 493 CB ASN A 39 7.305 -1.059 -5.847 1.00 0.00 C ATOM 494 CG ASN A 39 7.316 -1.522 -7.305 1.00 0.00 C ATOM 495 OD1 ASN A 39 7.266 -2.705 -7.579 1.00 0.00 O ATOM 496 ND2 ASN A 39 7.382 -0.634 -8.258 1.00 0.00 N ATOM 0 H ASN A 39 4.837 -1.122 -5.560 1.00 0.00 H new ATOM 0 HA ASN A 39 7.056 -3.110 -5.149 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.774 -0.111 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.324 -0.886 -5.501 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.392 -0.932 -9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.424 0.359 -8.028 1.00 0.00 H new ATOM 503 N LEU A 40 5.814 -2.091 -2.699 1.00 0.00 N ATOM 504 CA LEU A 40 5.902 -1.806 -1.238 1.00 0.00 C ATOM 505 C LEU A 40 6.227 -0.330 -0.996 1.00 0.00 C ATOM 506 O LEU A 40 6.803 0.031 0.011 1.00 0.00 O ATOM 507 CB LEU A 40 7.027 -2.702 -0.717 1.00 0.00 C ATOM 508 CG LEU A 40 6.519 -4.139 -0.594 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.937 -4.937 -1.830 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.120 -4.785 0.656 1.00 0.00 C ATOM 0 H LEU A 40 4.939 -2.519 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 40 4.959 -2.005 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.880 -2.663 -1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.373 -2.343 0.252 1.00 0.00 H new ATOM 0 HG LEU A 40 5.432 -4.134 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.575 -5.961 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.511 -4.477 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.024 -4.942 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.759 -5.810 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.207 -4.789 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.823 -4.217 1.538 1.00 0.00 H new ATOM 522 N GLU A 41 5.853 0.527 -1.905 1.00 0.00 N ATOM 523 CA GLU A 41 6.130 1.979 -1.716 1.00 0.00 C ATOM 524 C GLU A 41 4.858 2.699 -1.248 1.00 0.00 C ATOM 525 O GLU A 41 4.767 3.910 -1.291 1.00 0.00 O ATOM 526 CB GLU A 41 6.562 2.486 -3.093 1.00 0.00 C ATOM 527 CG GLU A 41 7.814 3.352 -2.948 1.00 0.00 C ATOM 528 CD GLU A 41 9.058 2.496 -3.189 1.00 0.00 C ATOM 529 OE1 GLU A 41 9.136 1.422 -2.614 1.00 0.00 O ATOM 530 OE2 GLU A 41 9.914 2.928 -3.944 1.00 0.00 O ATOM 0 H GLU A 41 5.368 0.286 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 41 6.895 2.161 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.764 1.644 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.758 3.064 -3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.783 4.176 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.851 3.793 -1.952 1.00 0.00 H new ATOM 537 N PHE A 42 3.874 1.959 -0.804 1.00 0.00 N ATOM 538 CA PHE A 42 2.606 2.586 -0.337 1.00 0.00 C ATOM 539 C PHE A 42 2.861 3.564 0.813 1.00 0.00 C ATOM 540 O PHE A 42 2.002 4.347 1.154 1.00 0.00 O ATOM 541 CB PHE A 42 1.714 1.430 0.127 1.00 0.00 C ATOM 542 CG PHE A 42 2.462 0.539 1.091 1.00 0.00 C ATOM 543 CD1 PHE A 42 2.828 1.023 2.368 1.00 0.00 C ATOM 544 CD2 PHE A 42 2.787 -0.785 0.720 1.00 0.00 C ATOM 545 CE1 PHE A 42 3.520 0.183 3.268 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.473 -1.620 1.617 1.00 0.00 C ATOM 547 CZ PHE A 42 3.842 -1.139 2.892 1.00 0.00 C ATOM 0 H PHE A 42 3.897 0.941 -0.746 1.00 0.00 H new ATOM 0 HA PHE A 42 2.137 3.163 -1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.818 1.824 0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.385 0.849 -0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.579 2.034 2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.507 -1.156 -0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.803 0.552 4.243 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.719 -2.632 1.331 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.371 -1.782 3.580 1.00 0.00 H new ATOM 557 N GLU A 43 4.023 3.542 1.421 1.00 0.00 N ATOM 558 CA GLU A 43 4.281 4.503 2.542 1.00 0.00 C ATOM 559 C GLU A 43 3.892 5.923 2.102 1.00 0.00 C ATOM 560 O GLU A 43 2.978 6.517 2.637 1.00 0.00 O ATOM 561 CB GLU A 43 5.784 4.406 2.886 1.00 0.00 C ATOM 562 CG GLU A 43 6.658 4.270 1.626 1.00 0.00 C ATOM 563 CD GLU A 43 7.483 2.985 1.716 1.00 0.00 C ATOM 564 OE1 GLU A 43 6.939 1.984 2.151 1.00 0.00 O ATOM 565 OE2 GLU A 43 8.646 3.025 1.349 1.00 0.00 O ATOM 0 H GLU A 43 4.793 2.912 1.195 1.00 0.00 H new ATOM 0 HA GLU A 43 3.686 4.264 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.086 5.293 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.952 3.548 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.030 4.251 0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.317 5.133 1.533 1.00 0.00 H new ATOM 572 N GLU A 44 4.547 6.454 1.108 1.00 0.00 N ATOM 573 CA GLU A 44 4.178 7.808 0.611 1.00 0.00 C ATOM 574 C GLU A 44 2.993 7.695 -0.362 1.00 0.00 C ATOM 575 O GLU A 44 2.305 8.658 -0.636 1.00 0.00 O ATOM 576 CB GLU A 44 5.424 8.322 -0.113 1.00 0.00 C ATOM 577 CG GLU A 44 5.798 7.360 -1.242 1.00 0.00 C ATOM 578 CD GLU A 44 6.569 8.117 -2.324 1.00 0.00 C ATOM 579 OE1 GLU A 44 5.947 8.887 -3.039 1.00 0.00 O ATOM 580 OE2 GLU A 44 7.768 7.916 -2.421 1.00 0.00 O ATOM 0 H GLU A 44 5.323 6.008 0.618 1.00 0.00 H new ATOM 0 HA GLU A 44 3.875 8.480 1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.237 9.317 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.253 8.414 0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.405 6.543 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.899 6.914 -1.666 1.00 0.00 H new ATOM 587 N ALA A 45 2.772 6.521 -0.901 1.00 0.00 N ATOM 588 CA ALA A 45 1.657 6.328 -1.877 1.00 0.00 C ATOM 589 C ALA A 45 0.304 6.197 -1.166 1.00 0.00 C ATOM 590 O ALA A 45 -0.610 6.957 -1.417 1.00 0.00 O ATOM 591 CB ALA A 45 2.002 5.026 -2.602 1.00 0.00 C ATOM 0 H ALA A 45 3.320 5.684 -0.705 1.00 0.00 H new ATOM 0 HA ALA A 45 1.563 7.178 -2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.232 4.806 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.965 5.132 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.055 4.211 -1.880 1.00 0.00 H new ATOM 597 N ALA A 46 0.167 5.225 -0.298 1.00 0.00 N ATOM 598 CA ALA A 46 -1.128 5.013 0.428 1.00 0.00 C ATOM 599 C ALA A 46 -1.726 6.345 0.892 1.00 0.00 C ATOM 600 O ALA A 46 -2.926 6.486 1.014 1.00 0.00 O ATOM 601 CB ALA A 46 -0.773 4.141 1.634 1.00 0.00 C ATOM 0 H ALA A 46 0.904 4.562 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.875 4.546 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.673 3.942 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.348 3.198 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.045 4.661 2.257 1.00 0.00 H new ATOM 607 N GLN A 47 -0.905 7.327 1.144 1.00 0.00 N ATOM 608 CA GLN A 47 -1.445 8.641 1.588 1.00 0.00 C ATOM 609 C GLN A 47 -2.364 9.212 0.508 1.00 0.00 C ATOM 610 O GLN A 47 -3.319 9.906 0.796 1.00 0.00 O ATOM 611 CB GLN A 47 -0.223 9.537 1.780 1.00 0.00 C ATOM 612 CG GLN A 47 0.723 8.901 2.802 1.00 0.00 C ATOM 613 CD GLN A 47 0.578 9.617 4.146 1.00 0.00 C ATOM 614 OE1 GLN A 47 0.265 10.790 4.191 1.00 0.00 O ATOM 615 NE2 GLN A 47 0.795 8.956 5.249 1.00 0.00 N ATOM 0 H GLN A 47 0.110 7.277 1.062 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.030 8.560 2.504 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.292 9.676 0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.533 10.525 2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.494 7.842 2.916 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.753 8.968 2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.058 7.971 5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.702 9.424 6.151 1.00 0.00 H new ATOM 624 N ILE A 48 -2.091 8.919 -0.737 1.00 0.00 N ATOM 625 CA ILE A 48 -2.962 9.441 -1.831 1.00 0.00 C ATOM 626 C ILE A 48 -4.415 9.061 -1.547 1.00 0.00 C ATOM 627 O ILE A 48 -5.331 9.789 -1.876 1.00 0.00 O ATOM 628 CB ILE A 48 -2.464 8.760 -3.106 1.00 0.00 C ATOM 629 CG1 ILE A 48 -1.028 9.203 -3.395 1.00 0.00 C ATOM 630 CG2 ILE A 48 -3.364 9.154 -4.279 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.471 8.393 -4.568 1.00 0.00 C ATOM 0 H ILE A 48 -1.306 8.343 -1.042 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.919 10.527 -1.919 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.491 7.678 -2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.005 10.267 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.406 9.058 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.010 8.669 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.387 8.839 -4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.337 10.236 -4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.552 8.708 -4.775 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.480 7.333 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.088 8.561 -5.451 1.00 0.00 H new ATOM 643 N ARG A 49 -4.625 7.930 -0.921 1.00 0.00 N ATOM 644 CA ARG A 49 -6.018 7.497 -0.586 1.00 0.00 C ATOM 645 C ARG A 49 -6.788 8.669 0.039 1.00 0.00 C ATOM 646 O ARG A 49 -7.973 8.830 -0.170 1.00 0.00 O ATOM 647 CB ARG A 49 -5.829 6.352 0.419 1.00 0.00 C ATOM 648 CG ARG A 49 -7.151 6.021 1.121 1.00 0.00 C ATOM 649 CD ARG A 49 -6.984 6.205 2.632 1.00 0.00 C ATOM 650 NE ARG A 49 -6.568 7.626 2.810 1.00 0.00 N ATOM 651 CZ ARG A 49 -7.338 8.451 3.465 1.00 0.00 C ATOM 652 NH1 ARG A 49 -8.587 8.595 3.116 1.00 0.00 N ATOM 653 NH2 ARG A 49 -6.859 9.132 4.471 1.00 0.00 N ATOM 0 H ARG A 49 -3.891 7.286 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.592 7.178 -1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.454 5.468 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.079 6.631 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.945 6.669 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.447 4.996 0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.916 5.999 3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.234 5.522 3.031 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.684 7.952 2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.962 8.063 2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.189 9.240 3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.883 9.019 4.745 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.461 9.777 4.983 1.00 0.00 H new ATOM 667 N ASP A 50 -6.111 9.499 0.786 1.00 0.00 N ATOM 668 CA ASP A 50 -6.797 10.669 1.401 1.00 0.00 C ATOM 669 C ASP A 50 -7.226 11.635 0.298 1.00 0.00 C ATOM 670 O ASP A 50 -8.299 12.203 0.335 1.00 0.00 O ATOM 671 CB ASP A 50 -5.749 11.315 2.309 1.00 0.00 C ATOM 672 CG ASP A 50 -6.371 12.504 3.041 1.00 0.00 C ATOM 673 OD1 ASP A 50 -7.105 12.274 3.988 1.00 0.00 O ATOM 674 OD2 ASP A 50 -6.103 13.626 2.642 1.00 0.00 O ATOM 0 H ASP A 50 -5.116 9.417 0.996 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.690 10.391 1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.377 10.586 3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.894 11.645 1.718 1.00 0.00 H new ATOM 679 N GLN A 51 -6.396 11.812 -0.694 1.00 0.00 N ATOM 680 CA GLN A 51 -6.755 12.728 -1.814 1.00 0.00 C ATOM 681 C GLN A 51 -7.693 12.007 -2.784 1.00 0.00 C ATOM 682 O GLN A 51 -8.571 12.602 -3.378 1.00 0.00 O ATOM 683 CB GLN A 51 -5.428 13.064 -2.498 1.00 0.00 C ATOM 684 CG GLN A 51 -4.444 13.620 -1.464 1.00 0.00 C ATOM 685 CD GLN A 51 -3.051 13.721 -2.090 1.00 0.00 C ATOM 686 OE1 GLN A 51 -2.056 13.543 -1.415 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.937 14.002 -3.358 1.00 0.00 N ATOM 0 H GLN A 51 -5.485 11.362 -0.777 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.268 13.627 -1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.013 12.172 -2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.590 13.795 -3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.774 14.602 -1.123 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.415 12.972 -0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.772 14.151 -3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.013 14.072 -3.784 1.00 0.00 H new ATOM 696 N LEU A 52 -7.514 10.722 -2.943 1.00 0.00 N ATOM 697 CA LEU A 52 -8.395 9.951 -3.867 1.00 0.00 C ATOM 698 C LEU A 52 -9.820 9.905 -3.311 1.00 0.00 C ATOM 699 O LEU A 52 -10.787 9.969 -4.045 1.00 0.00 O ATOM 700 CB LEU A 52 -7.792 8.546 -3.910 1.00 0.00 C ATOM 701 CG LEU A 52 -7.274 8.250 -5.319 1.00 0.00 C ATOM 702 CD1 LEU A 52 -8.436 8.304 -6.312 1.00 0.00 C ATOM 703 CD2 LEU A 52 -6.224 9.294 -5.707 1.00 0.00 C ATOM 0 H LEU A 52 -6.795 10.173 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.451 10.399 -4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.978 8.467 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.543 7.809 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.825 7.257 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.067 8.093 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.184 7.561 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.886 9.297 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.855 9.083 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.673 10.287 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.395 9.256 -5.000 1.00 0.00 H new ATOM 715 N HIS A 53 -9.956 9.797 -2.017 1.00 0.00 N ATOM 716 CA HIS A 53 -11.318 9.750 -1.411 1.00 0.00 C ATOM 717 C HIS A 53 -11.916 11.157 -1.350 1.00 0.00 C ATOM 718 O HIS A 53 -13.040 11.383 -1.752 1.00 0.00 O ATOM 719 CB HIS A 53 -11.105 9.196 -0.002 1.00 0.00 C ATOM 720 CG HIS A 53 -10.994 7.698 -0.062 1.00 0.00 C ATOM 721 ND1 HIS A 53 -11.283 6.891 1.028 1.00 0.00 N ATOM 722 CD2 HIS A 53 -10.629 6.845 -1.073 1.00 0.00 C ATOM 723 CE1 HIS A 53 -11.087 5.614 0.651 1.00 0.00 C ATOM 724 NE2 HIS A 53 -10.688 5.530 -0.621 1.00 0.00 N ATOM 0 H HIS A 53 -9.183 9.739 -1.353 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.008 9.136 -1.990 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.201 9.621 0.434 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -11.935 9.484 0.643 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.340 7.148 -2.068 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.234 4.762 1.298 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -10.473 4.684 -1.148 1.00 0.00 H new ATOM 732 N GLN A 54 -11.171 12.107 -0.853 1.00 0.00 N ATOM 733 CA GLN A 54 -11.697 13.499 -0.770 1.00 0.00 C ATOM 734 C GLN A 54 -12.094 13.995 -2.162 1.00 0.00 C ATOM 735 O GLN A 54 -13.059 14.716 -2.323 1.00 0.00 O ATOM 736 CB GLN A 54 -10.538 14.328 -0.215 1.00 0.00 C ATOM 737 CG GLN A 54 -10.954 15.798 -0.131 1.00 0.00 C ATOM 738 CD GLN A 54 -10.585 16.356 1.244 1.00 0.00 C ATOM 739 OE1 GLN A 54 -9.421 16.481 1.569 1.00 0.00 O ATOM 740 NE2 GLN A 54 -11.533 16.700 2.071 1.00 0.00 N ATOM 0 H GLN A 54 -10.222 11.979 -0.501 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.585 13.570 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.256 13.962 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.663 14.223 -0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.458 16.372 -0.913 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.027 15.893 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.510 16.595 1.799 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.297 17.074 2.990 1.00 0.00 H new ATOM 749 N LEU A 55 -11.359 13.612 -3.169 1.00 0.00 N ATOM 750 CA LEU A 55 -11.697 14.060 -4.552 1.00 0.00 C ATOM 751 C LEU A 55 -12.985 13.382 -5.024 1.00 0.00 C ATOM 752 O LEU A 55 -13.709 13.907 -5.848 1.00 0.00 O ATOM 753 CB LEU A 55 -10.511 13.620 -5.411 1.00 0.00 C ATOM 754 CG LEU A 55 -9.431 14.702 -5.386 1.00 0.00 C ATOM 755 CD1 LEU A 55 -8.056 14.057 -5.565 1.00 0.00 C ATOM 756 CD2 LEU A 55 -9.680 15.695 -6.524 1.00 0.00 C ATOM 0 H LEU A 55 -10.540 13.009 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.864 15.135 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.107 12.680 -5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.837 13.441 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.464 15.226 -4.431 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.287 14.829 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.878 13.349 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.022 13.533 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.911 16.467 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.647 15.170 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.660 16.156 -6.397 1.00 0.00 H new ATOM 768 N ARG A 56 -13.279 12.219 -4.508 1.00 0.00 N ATOM 769 CA ARG A 56 -14.522 11.509 -4.927 1.00 0.00 C ATOM 770 C ARG A 56 -15.754 12.325 -4.527 1.00 0.00 C ATOM 771 O ARG A 56 -16.600 12.630 -5.343 1.00 0.00 O ATOM 772 CB ARG A 56 -14.490 10.179 -4.175 1.00 0.00 C ATOM 773 CG ARG A 56 -15.776 9.399 -4.463 1.00 0.00 C ATOM 774 CD ARG A 56 -16.488 9.084 -3.144 1.00 0.00 C ATOM 775 NE ARG A 56 -16.985 7.689 -3.301 1.00 0.00 N ATOM 776 CZ ARG A 56 -17.225 6.960 -2.245 1.00 0.00 C ATOM 777 NH1 ARG A 56 -18.081 7.371 -1.349 1.00 0.00 N ATOM 778 NH2 ARG A 56 -16.609 5.822 -2.084 1.00 0.00 N ATOM 0 H ARG A 56 -12.713 11.730 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.574 11.364 -6.006 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.622 9.596 -4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.392 10.357 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.430 9.982 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.543 8.475 -4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.807 9.168 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.309 9.778 -2.962 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.138 7.303 -4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -18.562 8.262 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.269 6.801 -0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.939 5.501 -2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.797 5.253 -1.259 1.00 0.00 H new ATOM 792 N GLU A 57 -15.859 12.682 -3.276 1.00 0.00 N ATOM 793 CA GLU A 57 -17.036 13.479 -2.825 1.00 0.00 C ATOM 794 C GLU A 57 -16.968 14.893 -3.407 1.00 0.00 C ATOM 795 O GLU A 57 -17.977 15.522 -3.658 1.00 0.00 O ATOM 796 CB GLU A 57 -16.926 13.520 -1.300 1.00 0.00 C ATOM 797 CG GLU A 57 -18.066 14.365 -0.728 1.00 0.00 C ATOM 798 CD GLU A 57 -19.136 13.445 -0.137 1.00 0.00 C ATOM 799 OE1 GLU A 57 -18.875 12.855 0.898 1.00 0.00 O ATOM 800 OE2 GLU A 57 -20.199 13.348 -0.728 1.00 0.00 O ATOM 0 H GLU A 57 -15.182 12.457 -2.547 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.981 13.045 -3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.970 12.509 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.964 13.940 -1.005 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.684 15.037 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -18.499 14.988 -1.510 1.00 0.00 H new ATOM 807 N LEU A 58 -15.784 15.398 -3.625 1.00 0.00 N ATOM 808 CA LEU A 58 -15.650 16.771 -4.191 1.00 0.00 C ATOM 809 C LEU A 58 -16.116 16.791 -5.650 1.00 0.00 C ATOM 810 O LEU A 58 -16.436 17.828 -6.195 1.00 0.00 O ATOM 811 CB LEU A 58 -14.158 17.092 -4.101 1.00 0.00 C ATOM 812 CG LEU A 58 -13.810 17.510 -2.671 1.00 0.00 C ATOM 813 CD1 LEU A 58 -12.312 17.808 -2.576 1.00 0.00 C ATOM 814 CD2 LEU A 58 -14.603 18.764 -2.301 1.00 0.00 C ATOM 0 H LEU A 58 -14.904 14.919 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.258 17.500 -3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.570 16.221 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.905 17.892 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.064 16.702 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.064 18.106 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.746 16.915 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.057 18.616 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.356 19.063 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.349 19.571 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.670 18.553 -2.369 1.00 0.00 H new ATOM 826 N PHE A 59 -16.158 15.651 -6.287 1.00 0.00 N ATOM 827 CA PHE A 59 -16.603 15.606 -7.710 1.00 0.00 C ATOM 828 C PHE A 59 -17.953 16.312 -7.868 1.00 0.00 C ATOM 829 O PHE A 59 -18.261 16.860 -8.908 1.00 0.00 O ATOM 830 CB PHE A 59 -16.736 14.118 -8.036 1.00 0.00 C ATOM 831 CG PHE A 59 -17.221 13.955 -9.456 1.00 0.00 C ATOM 832 CD1 PHE A 59 -16.290 13.884 -10.517 1.00 0.00 C ATOM 833 CD2 PHE A 59 -18.605 13.873 -9.725 1.00 0.00 C ATOM 834 CE1 PHE A 59 -16.744 13.731 -11.846 1.00 0.00 C ATOM 835 CE2 PHE A 59 -19.060 13.719 -11.054 1.00 0.00 C ATOM 836 CZ PHE A 59 -18.129 13.648 -12.114 1.00 0.00 C ATOM 0 H PHE A 59 -15.903 14.749 -5.883 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.903 16.110 -8.376 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -15.775 13.620 -7.909 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.434 13.645 -7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -15.232 13.947 -10.312 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -19.316 13.928 -8.914 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -16.033 13.677 -12.657 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -20.118 13.656 -11.259 1.00 0.00 H new ATOM 0 HZ PHE A 59 -18.476 13.530 -13.130 1.00 0.00 H new ATOM 846 N ILE A 60 -18.760 16.306 -6.841 1.00 0.00 N ATOM 847 CA ILE A 60 -20.088 16.978 -6.933 1.00 0.00 C ATOM 848 C ILE A 60 -19.918 18.497 -6.845 1.00 0.00 C ATOM 849 O ILE A 60 -20.576 19.246 -7.539 1.00 0.00 O ATOM 850 CB ILE A 60 -20.880 16.456 -5.734 1.00 0.00 C ATOM 851 CG1 ILE A 60 -21.002 14.932 -5.827 1.00 0.00 C ATOM 852 CG2 ILE A 60 -22.275 17.080 -5.732 1.00 0.00 C ATOM 853 CD1 ILE A 60 -21.699 14.550 -7.135 1.00 0.00 C ATOM 0 H ILE A 60 -18.557 15.865 -5.944 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.593 16.769 -7.876 1.00 0.00 H new ATOM 0 HB ILE A 60 -20.362 16.724 -4.813 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -20.013 14.475 -5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -21.568 14.550 -4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.839 16.707 -4.877 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.188 18.164 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.794 16.814 -6.653 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.784 13.465 -7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -22.694 14.994 -7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.116 14.918 -7.979 1.00 0.00 H new ATOM 865 N ALA A 61 -19.037 18.956 -5.998 1.00 0.00 N ATOM 866 CA ALA A 61 -18.825 20.427 -5.868 1.00 0.00 C ATOM 867 C ALA A 61 -18.393 21.020 -7.212 1.00 0.00 C ATOM 868 O ALA A 61 -18.600 22.186 -7.481 1.00 0.00 O ATOM 869 CB ALA A 61 -17.711 20.575 -4.832 1.00 0.00 C ATOM 0 H ALA A 61 -18.456 18.378 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 61 -19.732 20.951 -5.568 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.495 21.632 -4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -18.029 20.129 -3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.814 20.069 -5.188 1.00 0.00 H new ATOM 875 N ALA A 62 -17.796 20.224 -8.057 1.00 0.00 N ATOM 876 CA ALA A 62 -17.352 20.742 -9.382 1.00 0.00 C ATOM 877 C ALA A 62 -18.376 20.382 -10.460 1.00 0.00 C ATOM 878 O ALA A 62 -19.044 21.238 -11.007 1.00 0.00 O ATOM 879 CB ALA A 62 -16.018 20.045 -9.654 1.00 0.00 C ATOM 0 H ALA A 62 -17.597 19.238 -7.887 1.00 0.00 H new ATOM 0 HA ALA A 62 -17.253 21.827 -9.389 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.625 20.375 -10.616 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.308 20.297 -8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.169 18.966 -9.675 1.00 0.00 H new ATOM 885 N SER A 63 -18.505 19.121 -10.772 1.00 0.00 N ATOM 886 CA SER A 63 -19.487 18.707 -11.816 1.00 0.00 C ATOM 887 C SER A 63 -19.254 19.498 -13.106 1.00 0.00 C ATOM 888 O SER A 63 -18.228 19.284 -13.731 1.00 0.00 O ATOM 889 CB SER A 63 -20.857 19.034 -11.222 1.00 0.00 C ATOM 890 OG SER A 63 -21.873 18.536 -12.083 1.00 0.00 O ATOM 891 OXT SER A 63 -20.105 20.305 -13.447 1.00 0.00 O ATOM 0 H SER A 63 -17.974 18.360 -10.350 1.00 0.00 H new ATOM 0 HA SER A 63 -19.397 17.652 -12.073 1.00 0.00 H new ATOM 0 HB2 SER A 63 -20.953 18.588 -10.232 1.00 0.00 H new ATOM 0 HB3 SER A 63 -20.965 20.112 -11.098 1.00 0.00 H new ATOM 0 HG SER A 63 -21.843 19.017 -12.937 1.00 0.00 H new TER 897 SER A 63 ATOM 898 N LEU B 8 14.949 -35.432 13.896 1.00 0.00 N ATOM 899 CA LEU B 8 15.148 -36.873 13.568 1.00 0.00 C ATOM 900 C LEU B 8 15.957 -37.016 12.276 1.00 0.00 C ATOM 901 O LEU B 8 15.413 -37.021 11.189 1.00 0.00 O ATOM 902 CB LEU B 8 13.738 -37.435 13.383 1.00 0.00 C ATOM 903 CG LEU B 8 13.159 -37.822 14.745 1.00 0.00 C ATOM 904 CD1 LEU B 8 12.659 -36.567 15.463 1.00 0.00 C ATOM 905 CD2 LEU B 8 11.993 -38.793 14.545 1.00 0.00 C ATOM 0 HA LEU B 8 15.699 -37.401 14.346 1.00 0.00 H new ATOM 0 HB2 LEU B 8 13.100 -36.693 12.902 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.765 -38.305 12.727 1.00 0.00 H new ATOM 0 HG LEU B 8 13.933 -38.300 15.346 1.00 0.00 H new ATOM 0 HD11 LEU B 8 12.246 -36.843 16.433 1.00 0.00 H new ATOM 0 HD12 LEU B 8 13.488 -35.874 15.605 1.00 0.00 H new ATOM 0 HD13 LEU B 8 11.885 -36.088 14.863 1.00 0.00 H new ATOM 0 HD21 LEU B 8 11.579 -39.070 15.515 1.00 0.00 H new ATOM 0 HD22 LEU B 8 11.220 -38.314 13.944 1.00 0.00 H new ATOM 0 HD23 LEU B 8 12.348 -39.688 14.034 1.00 0.00 H new ATOM 917 N GLU B 9 17.253 -37.132 12.386 1.00 0.00 N ATOM 918 CA GLU B 9 18.095 -37.274 11.163 1.00 0.00 C ATOM 919 C GLU B 9 17.794 -36.139 10.176 1.00 0.00 C ATOM 920 O GLU B 9 17.200 -36.365 9.140 1.00 0.00 O ATOM 921 CB GLU B 9 17.699 -38.625 10.564 1.00 0.00 C ATOM 922 CG GLU B 9 18.938 -39.308 9.981 1.00 0.00 C ATOM 923 CD GLU B 9 19.499 -40.302 10.999 1.00 0.00 C ATOM 924 OE1 GLU B 9 18.761 -41.184 11.405 1.00 0.00 O ATOM 925 OE2 GLU B 9 20.658 -40.165 11.353 1.00 0.00 O ATOM 0 H GLU B 9 17.765 -37.135 13.268 1.00 0.00 H new ATOM 0 HA GLU B 9 19.160 -37.224 11.388 1.00 0.00 H new ATOM 0 HB2 GLU B 9 17.249 -39.257 11.330 1.00 0.00 H new ATOM 0 HB3 GLU B 9 16.949 -38.484 9.786 1.00 0.00 H new ATOM 0 HG2 GLU B 9 18.680 -39.825 9.056 1.00 0.00 H new ATOM 0 HG3 GLU B 9 19.693 -38.563 9.730 1.00 0.00 H new ATOM 932 N PRO B 10 18.214 -34.949 10.529 1.00 0.00 N ATOM 933 CA PRO B 10 17.979 -33.775 9.654 1.00 0.00 C ATOM 934 C PRO B 10 18.893 -33.831 8.426 1.00 0.00 C ATOM 935 O PRO B 10 18.461 -33.629 7.310 1.00 0.00 O ATOM 936 CB PRO B 10 18.336 -32.586 10.542 1.00 0.00 C ATOM 937 CG PRO B 10 19.286 -33.133 11.559 1.00 0.00 C ATOM 938 CD PRO B 10 18.936 -34.586 11.757 1.00 0.00 C ATOM 0 HA PRO B 10 16.959 -33.724 9.272 1.00 0.00 H new ATOM 0 HB2 PRO B 10 18.796 -31.785 9.963 1.00 0.00 H new ATOM 0 HB3 PRO B 10 17.448 -32.167 11.016 1.00 0.00 H new ATOM 0 HG2 PRO B 10 20.316 -33.028 11.219 1.00 0.00 H new ATOM 0 HG3 PRO B 10 19.203 -32.585 12.498 1.00 0.00 H new ATOM 0 HD2 PRO B 10 19.829 -35.197 11.890 1.00 0.00 H new ATOM 0 HD3 PRO B 10 18.316 -34.730 12.642 1.00 0.00 H new ATOM 946 N ASP B 11 20.156 -34.107 8.629 1.00 0.00 N ATOM 947 CA ASP B 11 21.114 -34.179 7.482 1.00 0.00 C ATOM 948 C ASP B 11 21.161 -32.838 6.744 1.00 0.00 C ATOM 949 O ASP B 11 22.034 -32.024 6.973 1.00 0.00 O ATOM 950 CB ASP B 11 20.580 -35.285 6.565 1.00 0.00 C ATOM 951 CG ASP B 11 21.506 -36.500 6.638 1.00 0.00 C ATOM 952 OD1 ASP B 11 21.648 -37.048 7.718 1.00 0.00 O ATOM 953 OD2 ASP B 11 22.057 -36.863 5.612 1.00 0.00 O ATOM 0 H ASP B 11 20.568 -34.287 9.545 1.00 0.00 H new ATOM 0 HA ASP B 11 22.130 -34.393 7.814 1.00 0.00 H new ATOM 0 HB2 ASP B 11 19.570 -35.565 6.866 1.00 0.00 H new ATOM 0 HB3 ASP B 11 20.518 -34.923 5.539 1.00 0.00 H new ATOM 958 N ASN B 12 20.231 -32.600 5.862 1.00 0.00 N ATOM 959 CA ASN B 12 20.225 -31.310 5.114 1.00 0.00 C ATOM 960 C ASN B 12 18.798 -30.940 4.695 1.00 0.00 C ATOM 961 O ASN B 12 18.592 -30.138 3.805 1.00 0.00 O ATOM 962 CB ASN B 12 21.096 -31.564 3.884 1.00 0.00 C ATOM 963 CG ASN B 12 20.514 -32.727 3.078 1.00 0.00 C ATOM 964 OD1 ASN B 12 21.017 -33.832 3.136 1.00 0.00 O ATOM 965 ND2 ASN B 12 19.469 -32.525 2.323 1.00 0.00 N ATOM 0 H ASN B 12 19.474 -33.242 5.626 1.00 0.00 H new ATOM 0 HA ASN B 12 20.599 -30.483 5.718 1.00 0.00 H new ATOM 0 HB2 ASN B 12 21.142 -30.667 3.267 1.00 0.00 H new ATOM 0 HB3 ASN B 12 22.117 -31.794 4.189 1.00 0.00 H new ATOM 0 HD21 ASN B 12 19.074 -33.294 1.782 1.00 0.00 H new ATOM 0 HD22 ASN B 12 19.047 -31.598 2.274 1.00 0.00 H new ATOM 972 N VAL B 13 17.810 -31.518 5.324 1.00 0.00 N ATOM 973 CA VAL B 13 16.402 -31.196 4.954 1.00 0.00 C ATOM 974 C VAL B 13 15.927 -29.938 5.711 1.00 0.00 C ATOM 975 O VAL B 13 15.606 -28.942 5.093 1.00 0.00 O ATOM 976 CB VAL B 13 15.602 -32.460 5.326 1.00 0.00 C ATOM 977 CG1 VAL B 13 14.129 -32.122 5.602 1.00 0.00 C ATOM 978 CG2 VAL B 13 15.670 -33.449 4.160 1.00 0.00 C ATOM 0 H VAL B 13 17.917 -32.198 6.077 1.00 0.00 H new ATOM 0 HA VAL B 13 16.275 -30.958 3.898 1.00 0.00 H new ATOM 0 HB VAL B 13 16.035 -32.891 6.228 1.00 0.00 H new ATOM 0 HG11 VAL B 13 13.589 -33.033 5.862 1.00 0.00 H new ATOM 0 HG12 VAL B 13 14.067 -31.415 6.429 1.00 0.00 H new ATOM 0 HG13 VAL B 13 13.684 -31.678 4.711 1.00 0.00 H new ATOM 0 HG21 VAL B 13 15.107 -34.348 4.412 1.00 0.00 H new ATOM 0 HG22 VAL B 13 15.242 -32.991 3.269 1.00 0.00 H new ATOM 0 HG23 VAL B 13 16.710 -33.714 3.968 1.00 0.00 H new ATOM 988 N PRO B 14 15.896 -30.012 7.020 1.00 0.00 N ATOM 989 CA PRO B 14 15.454 -28.848 7.826 1.00 0.00 C ATOM 990 C PRO B 14 16.547 -27.776 7.843 1.00 0.00 C ATOM 991 O PRO B 14 16.287 -26.605 7.657 1.00 0.00 O ATOM 992 CB PRO B 14 15.249 -29.428 9.220 1.00 0.00 C ATOM 993 CG PRO B 14 16.134 -30.632 9.272 1.00 0.00 C ATOM 994 CD PRO B 14 16.258 -31.156 7.867 1.00 0.00 C ATOM 0 HA PRO B 14 14.555 -28.371 7.434 1.00 0.00 H new ATOM 0 HB2 PRO B 14 15.518 -28.706 9.991 1.00 0.00 H new ATOM 0 HB3 PRO B 14 14.206 -29.697 9.386 1.00 0.00 H new ATOM 0 HG2 PRO B 14 17.114 -30.372 9.673 1.00 0.00 H new ATOM 0 HG3 PRO B 14 15.711 -31.392 9.930 1.00 0.00 H new ATOM 0 HD2 PRO B 14 17.271 -31.500 7.659 1.00 0.00 H new ATOM 0 HD3 PRO B 14 15.593 -32.003 7.698 1.00 0.00 H new ATOM 1002 N MET B 15 17.768 -28.174 8.070 1.00 0.00 N ATOM 1003 CA MET B 15 18.883 -27.186 8.103 1.00 0.00 C ATOM 1004 C MET B 15 18.565 -26.063 9.094 1.00 0.00 C ATOM 1005 O MET B 15 17.693 -26.189 9.930 1.00 0.00 O ATOM 1006 CB MET B 15 18.972 -26.637 6.678 1.00 0.00 C ATOM 1007 CG MET B 15 20.363 -26.917 6.108 1.00 0.00 C ATOM 1008 SD MET B 15 20.209 -27.546 4.418 1.00 0.00 S ATOM 1009 CE MET B 15 21.975 -27.577 4.025 1.00 0.00 C ATOM 0 H MET B 15 18.042 -29.143 8.234 1.00 0.00 H new ATOM 0 HA MET B 15 19.823 -27.635 8.424 1.00 0.00 H new ATOM 0 HB2 MET B 15 18.211 -27.100 6.051 1.00 0.00 H new ATOM 0 HB3 MET B 15 18.776 -25.565 6.677 1.00 0.00 H new ATOM 0 HG2 MET B 15 20.960 -26.005 6.115 1.00 0.00 H new ATOM 0 HG3 MET B 15 20.883 -27.644 6.732 1.00 0.00 H new ATOM 0 HE1 MET B 15 22.115 -27.941 3.007 1.00 0.00 H new ATOM 0 HE2 MET B 15 22.384 -26.570 4.110 1.00 0.00 H new ATOM 0 HE3 MET B 15 22.491 -28.238 4.721 1.00 0.00 H new ATOM 1019 N ASP B 16 19.267 -24.967 9.008 1.00 0.00 N ATOM 1020 CA ASP B 16 19.004 -23.838 9.947 1.00 0.00 C ATOM 1021 C ASP B 16 18.920 -22.517 9.176 1.00 0.00 C ATOM 1022 O ASP B 16 19.435 -21.505 9.605 1.00 0.00 O ATOM 1023 CB ASP B 16 20.200 -23.828 10.900 1.00 0.00 C ATOM 1024 CG ASP B 16 20.241 -25.144 11.680 1.00 0.00 C ATOM 1025 OD1 ASP B 16 19.244 -25.474 12.301 1.00 0.00 O ATOM 1026 OD2 ASP B 16 21.269 -25.799 11.642 1.00 0.00 O ATOM 0 H ASP B 16 20.011 -24.803 8.329 1.00 0.00 H new ATOM 0 HA ASP B 16 18.060 -23.955 10.479 1.00 0.00 H new ATOM 0 HB2 ASP B 16 21.125 -23.697 10.339 1.00 0.00 H new ATOM 0 HB3 ASP B 16 20.123 -22.987 11.589 1.00 0.00 H new ATOM 1031 N MET B 17 18.275 -22.522 8.042 1.00 0.00 N ATOM 1032 CA MET B 17 18.160 -21.266 7.246 1.00 0.00 C ATOM 1033 C MET B 17 17.443 -20.187 8.061 1.00 0.00 C ATOM 1034 O MET B 17 17.715 -19.011 7.927 1.00 0.00 O ATOM 1035 CB MET B 17 17.332 -21.651 6.018 1.00 0.00 C ATOM 1036 CG MET B 17 15.964 -22.169 6.467 1.00 0.00 C ATOM 1037 SD MET B 17 15.339 -23.352 5.248 1.00 0.00 S ATOM 1038 CE MET B 17 15.019 -22.164 3.921 1.00 0.00 C ATOM 0 H MET B 17 17.823 -23.339 7.632 1.00 0.00 H new ATOM 0 HA MET B 17 19.133 -20.860 6.971 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.209 -20.788 5.364 1.00 0.00 H new ATOM 0 HB3 MET B 17 17.851 -22.417 5.441 1.00 0.00 H new ATOM 0 HG2 MET B 17 16.046 -22.646 7.444 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.266 -21.339 6.575 1.00 0.00 H new ATOM 0 HE1 MET B 17 14.274 -22.573 3.239 1.00 0.00 H new ATOM 0 HE2 MET B 17 14.648 -21.233 4.348 1.00 0.00 H new ATOM 0 HE3 MET B 17 15.943 -21.970 3.376 1.00 0.00 H new ATOM 1048 N SER B 18 16.526 -20.579 8.904 1.00 0.00 N ATOM 1049 CA SER B 18 15.792 -19.575 9.727 1.00 0.00 C ATOM 1050 C SER B 18 15.219 -20.240 10.984 1.00 0.00 C ATOM 1051 O SER B 18 15.174 -21.451 11.075 1.00 0.00 O ATOM 1052 CB SER B 18 14.668 -19.071 8.824 1.00 0.00 C ATOM 1053 OG SER B 18 15.173 -18.874 7.511 1.00 0.00 O ATOM 0 H SER B 18 16.254 -21.550 9.058 1.00 0.00 H new ATOM 0 HA SER B 18 16.437 -18.764 10.065 1.00 0.00 H new ATOM 0 HB2 SER B 18 13.849 -19.791 8.807 1.00 0.00 H new ATOM 0 HB3 SER B 18 14.263 -18.137 9.214 1.00 0.00 H new ATOM 0 HG SER B 18 14.610 -19.355 6.869 1.00 0.00 H new ATOM 1059 N PRO B 19 14.795 -19.423 11.921 1.00 0.00 N ATOM 1060 CA PRO B 19 14.222 -19.945 13.180 1.00 0.00 C ATOM 1061 C PRO B 19 12.724 -20.251 13.038 1.00 0.00 C ATOM 1062 O PRO B 19 12.022 -20.405 14.016 1.00 0.00 O ATOM 1063 CB PRO B 19 14.461 -18.809 14.168 1.00 0.00 C ATOM 1064 CG PRO B 19 14.560 -17.560 13.340 1.00 0.00 C ATOM 1065 CD PRO B 19 14.817 -17.958 11.905 1.00 0.00 C ATOM 0 HA PRO B 19 14.674 -20.887 13.490 1.00 0.00 H new ATOM 0 HB2 PRO B 19 13.645 -18.738 14.887 1.00 0.00 H new ATOM 0 HB3 PRO B 19 15.375 -18.973 14.739 1.00 0.00 H new ATOM 0 HG2 PRO B 19 13.639 -16.982 13.414 1.00 0.00 H new ATOM 0 HG3 PRO B 19 15.366 -16.924 13.707 1.00 0.00 H new ATOM 0 HD2 PRO B 19 14.053 -17.557 11.239 1.00 0.00 H new ATOM 0 HD3 PRO B 19 15.777 -17.579 11.554 1.00 0.00 H new ATOM 1073 N LYS B 20 12.238 -20.365 11.828 1.00 0.00 N ATOM 1074 CA LYS B 20 10.788 -20.685 11.602 1.00 0.00 C ATOM 1075 C LYS B 20 9.876 -19.566 12.124 1.00 0.00 C ATOM 1076 O LYS B 20 9.213 -18.894 11.358 1.00 0.00 O ATOM 1077 CB LYS B 20 10.531 -21.989 12.366 1.00 0.00 C ATOM 1078 CG LYS B 20 9.251 -22.642 11.840 1.00 0.00 C ATOM 1079 CD LYS B 20 8.042 -22.067 12.582 1.00 0.00 C ATOM 1080 CE LYS B 20 7.126 -23.208 13.027 1.00 0.00 C ATOM 1081 NZ LYS B 20 5.771 -22.826 12.540 1.00 0.00 N ATOM 0 H LYS B 20 12.787 -20.250 10.976 1.00 0.00 H new ATOM 0 HA LYS B 20 10.569 -20.783 10.539 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.375 -22.667 12.244 1.00 0.00 H new ATOM 0 HB3 LYS B 20 10.437 -21.786 13.433 1.00 0.00 H new ATOM 0 HG2 LYS B 20 9.153 -22.463 10.769 1.00 0.00 H new ATOM 0 HG3 LYS B 20 9.297 -23.722 11.980 1.00 0.00 H new ATOM 0 HD2 LYS B 20 8.373 -21.493 13.448 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.497 -21.381 11.934 1.00 0.00 H new ATOM 0 HE2 LYS B 20 7.445 -24.159 12.601 1.00 0.00 H new ATOM 0 HE3 LYS B 20 7.138 -23.324 14.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.086 -23.561 12.807 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 5.491 -21.920 12.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 5.789 -22.730 11.505 1.00 0.00 H new ATOM 1095 N ALA B 21 9.824 -19.371 13.417 1.00 0.00 N ATOM 1096 CA ALA B 21 8.940 -18.305 13.989 1.00 0.00 C ATOM 1097 C ALA B 21 9.087 -16.993 13.210 1.00 0.00 C ATOM 1098 O ALA B 21 8.114 -16.351 12.868 1.00 0.00 O ATOM 1099 CB ALA B 21 9.422 -18.128 15.428 1.00 0.00 C ATOM 0 H ALA B 21 10.356 -19.904 14.105 1.00 0.00 H new ATOM 0 HA ALA B 21 7.886 -18.579 13.934 1.00 0.00 H new ATOM 0 HB1 ALA B 21 8.824 -17.361 15.920 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.317 -19.071 15.965 1.00 0.00 H new ATOM 0 HB3 ALA B 21 10.469 -17.826 15.426 1.00 0.00 H new ATOM 1105 N LEU B 22 10.293 -16.597 12.924 1.00 0.00 N ATOM 1106 CA LEU B 22 10.503 -15.332 12.161 1.00 0.00 C ATOM 1107 C LEU B 22 10.291 -15.593 10.674 1.00 0.00 C ATOM 1108 O LEU B 22 9.602 -14.862 9.990 1.00 0.00 O ATOM 1109 CB LEU B 22 11.956 -14.940 12.428 1.00 0.00 C ATOM 1110 CG LEU B 22 12.072 -14.324 13.823 1.00 0.00 C ATOM 1111 CD1 LEU B 22 11.849 -15.409 14.875 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.469 -13.724 14.000 1.00 0.00 C ATOM 0 H LEU B 22 11.145 -17.093 13.185 1.00 0.00 H new ATOM 0 HA LEU B 22 9.811 -14.545 12.460 1.00 0.00 H new ATOM 0 HB2 LEU B 22 12.600 -15.816 12.351 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.296 -14.228 11.676 1.00 0.00 H new ATOM 0 HG LEU B 22 11.322 -13.541 13.940 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.931 -14.973 15.871 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.856 -15.840 14.748 1.00 0.00 H new ATOM 0 HD13 LEU B 22 12.601 -16.190 14.758 1.00 0.00 H new ATOM 0 HD21 LEU B 22 13.553 -13.285 14.994 1.00 0.00 H new ATOM 0 HD22 LEU B 22 14.219 -14.507 13.885 1.00 0.00 H new ATOM 0 HD23 LEU B 22 13.632 -12.953 13.247 1.00 0.00 H new ATOM 1124 N GLN B 23 10.884 -16.638 10.174 1.00 0.00 N ATOM 1125 CA GLN B 23 10.730 -16.967 8.727 1.00 0.00 C ATOM 1126 C GLN B 23 9.246 -17.020 8.349 1.00 0.00 C ATOM 1127 O GLN B 23 8.803 -16.347 7.440 1.00 0.00 O ATOM 1128 CB GLN B 23 11.373 -18.344 8.564 1.00 0.00 C ATOM 1129 CG GLN B 23 11.497 -18.677 7.075 1.00 0.00 C ATOM 1130 CD GLN B 23 12.174 -20.040 6.911 1.00 0.00 C ATOM 1131 OE1 GLN B 23 13.016 -20.213 6.054 1.00 0.00 O ATOM 1132 NE2 GLN B 23 11.838 -21.021 7.704 1.00 0.00 N ATOM 0 H GLN B 23 11.471 -17.282 10.704 1.00 0.00 H new ATOM 0 HA GLN B 23 11.194 -16.220 8.083 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.357 -18.355 9.033 1.00 0.00 H new ATOM 0 HB3 GLN B 23 10.771 -19.100 9.068 1.00 0.00 H new ATOM 0 HG2 GLN B 23 10.511 -18.691 6.611 1.00 0.00 H new ATOM 0 HG3 GLN B 23 12.077 -17.907 6.566 1.00 0.00 H new ATOM 0 HE21 GLN B 23 11.130 -20.875 8.424 1.00 0.00 H new ATOM 0 HE22 GLN B 23 12.283 -21.933 7.604 1.00 0.00 H new ATOM 1141 N GLN B 24 8.477 -17.817 9.040 1.00 0.00 N ATOM 1142 CA GLN B 24 7.024 -17.912 8.719 1.00 0.00 C ATOM 1143 C GLN B 24 6.343 -16.558 8.938 1.00 0.00 C ATOM 1144 O GLN B 24 5.584 -16.093 8.111 1.00 0.00 O ATOM 1145 CB GLN B 24 6.472 -18.954 9.692 1.00 0.00 C ATOM 1146 CG GLN B 24 5.009 -19.247 9.353 1.00 0.00 C ATOM 1147 CD GLN B 24 4.940 -20.355 8.301 1.00 0.00 C ATOM 1148 OE1 GLN B 24 5.607 -21.364 8.421 1.00 0.00 O ATOM 1149 NE2 GLN B 24 4.156 -20.211 7.269 1.00 0.00 N ATOM 0 H GLN B 24 8.791 -18.406 9.812 1.00 0.00 H new ATOM 0 HA GLN B 24 6.848 -18.190 7.680 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.060 -19.870 9.633 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.553 -18.589 10.716 1.00 0.00 H new ATOM 0 HG2 GLN B 24 4.470 -19.550 10.251 1.00 0.00 H new ATOM 0 HG3 GLN B 24 4.524 -18.345 8.979 1.00 0.00 H new ATOM 0 HE21 GLN B 24 3.596 -19.364 7.168 1.00 0.00 H new ATOM 0 HE22 GLN B 24 4.103 -20.945 6.563 1.00 0.00 H new ATOM 1158 N LYS B 25 6.606 -15.923 10.048 1.00 0.00 N ATOM 1159 CA LYS B 25 5.973 -14.601 10.319 1.00 0.00 C ATOM 1160 C LYS B 25 6.322 -13.607 9.208 1.00 0.00 C ATOM 1161 O LYS B 25 5.457 -12.976 8.632 1.00 0.00 O ATOM 1162 CB LYS B 25 6.566 -14.144 11.653 1.00 0.00 C ATOM 1163 CG LYS B 25 5.831 -14.836 12.802 1.00 0.00 C ATOM 1164 CD LYS B 25 6.528 -14.509 14.124 1.00 0.00 C ATOM 1165 CE LYS B 25 5.978 -13.193 14.681 1.00 0.00 C ATOM 1166 NZ LYS B 25 4.684 -13.559 15.322 1.00 0.00 N ATOM 0 H LYS B 25 7.232 -16.263 10.779 1.00 0.00 H new ATOM 0 HA LYS B 25 4.886 -14.665 10.356 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.629 -14.382 11.691 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.478 -13.062 11.750 1.00 0.00 H new ATOM 0 HG2 LYS B 25 4.793 -14.506 12.835 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.818 -15.914 12.642 1.00 0.00 H new ATOM 0 HD2 LYS B 25 6.368 -15.315 14.841 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.604 -14.429 13.970 1.00 0.00 H new ATOM 0 HE2 LYS B 25 6.665 -12.751 15.403 1.00 0.00 H new ATOM 0 HE3 LYS B 25 5.833 -12.459 13.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 3.948 -12.886 15.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 4.412 -14.520 15.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 4.788 -13.527 16.356 1.00 0.00 H new ATOM 1180 N ILE B 26 7.582 -13.463 8.902 1.00 0.00 N ATOM 1181 CA ILE B 26 7.984 -12.508 7.829 1.00 0.00 C ATOM 1182 C ILE B 26 7.230 -12.820 6.533 1.00 0.00 C ATOM 1183 O ILE B 26 6.530 -11.985 5.996 1.00 0.00 O ATOM 1184 CB ILE B 26 9.486 -12.732 7.643 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.221 -12.341 8.928 1.00 0.00 C ATOM 1186 CG2 ILE B 26 9.992 -11.871 6.485 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.607 -12.989 8.940 1.00 0.00 C ATOM 0 H ILE B 26 8.350 -13.964 9.348 1.00 0.00 H new ATOM 0 HA ILE B 26 7.755 -11.474 8.088 1.00 0.00 H new ATOM 0 HB ILE B 26 9.672 -13.783 7.421 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.314 -11.257 8.991 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.650 -12.663 9.799 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.062 -12.031 6.353 1.00 0.00 H new ATOM 0 HG22 ILE B 26 9.468 -12.148 5.570 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.807 -10.820 6.705 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.131 -12.711 9.855 1.00 0.00 H new ATOM 0 HD12 ILE B 26 11.502 -14.073 8.897 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.177 -12.645 8.077 1.00 0.00 H new ATOM 1199 N HIS B 27 7.369 -14.015 6.028 1.00 0.00 N ATOM 1200 CA HIS B 27 6.661 -14.378 4.767 1.00 0.00 C ATOM 1201 C HIS B 27 5.145 -14.260 4.955 1.00 0.00 C ATOM 1202 O HIS B 27 4.412 -14.013 4.017 1.00 0.00 O ATOM 1203 CB HIS B 27 7.055 -15.830 4.495 1.00 0.00 C ATOM 1204 CG HIS B 27 8.440 -15.874 3.913 1.00 0.00 C ATOM 1205 ND1 HIS B 27 8.700 -16.420 2.666 1.00 0.00 N ATOM 1206 CD2 HIS B 27 9.652 -15.446 4.395 1.00 0.00 C ATOM 1207 CE1 HIS B 27 10.023 -16.306 2.441 1.00 0.00 C ATOM 1208 NE2 HIS B 27 10.650 -15.719 3.465 1.00 0.00 N ATOM 0 H HIS B 27 7.942 -14.755 6.433 1.00 0.00 H new ATOM 0 HA HIS B 27 6.930 -13.720 3.940 1.00 0.00 H new ATOM 0 HB2 HIS B 27 7.019 -16.407 5.419 1.00 0.00 H new ATOM 0 HB3 HIS B 27 6.345 -16.287 3.806 1.00 0.00 H new ATOM 0 HD2 HIS B 27 9.807 -14.969 5.352 1.00 0.00 H new ATOM 0 HE1 HIS B 27 10.517 -16.647 1.543 1.00 0.00 H new ATOM 0 HE2 HIS B 27 11.646 -15.515 3.547 1.00 0.00 H new ATOM 1216 N GLU B 28 4.671 -14.434 6.157 1.00 0.00 N ATOM 1217 CA GLU B 28 3.202 -14.334 6.401 1.00 0.00 C ATOM 1218 C GLU B 28 2.779 -12.866 6.504 1.00 0.00 C ATOM 1219 O GLU B 28 1.747 -12.472 5.998 1.00 0.00 O ATOM 1220 CB GLU B 28 2.973 -15.053 7.730 1.00 0.00 C ATOM 1221 CG GLU B 28 2.862 -16.559 7.484 1.00 0.00 C ATOM 1222 CD GLU B 28 1.632 -16.848 6.622 1.00 0.00 C ATOM 1223 OE1 GLU B 28 0.746 -16.009 6.589 1.00 0.00 O ATOM 1224 OE2 GLU B 28 1.597 -17.901 6.007 1.00 0.00 O ATOM 0 H GLU B 28 5.235 -14.641 6.981 1.00 0.00 H new ATOM 0 HA GLU B 28 2.618 -14.774 5.593 1.00 0.00 H new ATOM 0 HB2 GLU B 28 3.796 -14.845 8.414 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.064 -14.683 8.204 1.00 0.00 H new ATOM 0 HG2 GLU B 28 3.761 -16.924 6.987 1.00 0.00 H new ATOM 0 HG3 GLU B 28 2.786 -17.088 8.434 1.00 0.00 H new ATOM 1231 N LEU B 29 3.564 -12.056 7.159 1.00 0.00 N ATOM 1232 CA LEU B 29 3.203 -10.615 7.295 1.00 0.00 C ATOM 1233 C LEU B 29 3.399 -9.888 5.961 1.00 0.00 C ATOM 1234 O LEU B 29 2.639 -9.011 5.605 1.00 0.00 O ATOM 1235 CB LEU B 29 4.160 -10.066 8.353 1.00 0.00 C ATOM 1236 CG LEU B 29 3.719 -10.544 9.737 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.872 -10.374 10.728 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.521 -9.715 10.203 1.00 0.00 C ATOM 0 H LEU B 29 4.439 -12.328 7.606 1.00 0.00 H new ATOM 0 HA LEU B 29 2.159 -10.476 7.578 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.177 -10.401 8.148 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.170 -8.977 8.319 1.00 0.00 H new ATOM 0 HG LEU B 29 3.437 -11.596 9.685 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.557 -10.715 11.714 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.727 -10.963 10.396 1.00 0.00 H new ATOM 0 HD13 LEU B 29 5.155 -9.323 10.781 1.00 0.00 H new ATOM 0 HD21 LEU B 29 2.205 -10.054 11.190 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.804 -8.664 10.254 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.699 -9.835 9.498 1.00 0.00 H new ATOM 1250 N GLU B 30 4.412 -10.249 5.221 1.00 0.00 N ATOM 1251 CA GLU B 30 4.653 -9.578 3.911 1.00 0.00 C ATOM 1252 C GLU B 30 3.541 -9.939 2.923 1.00 0.00 C ATOM 1253 O GLU B 30 2.996 -9.089 2.248 1.00 0.00 O ATOM 1254 CB GLU B 30 5.998 -10.122 3.429 1.00 0.00 C ATOM 1255 CG GLU B 30 6.693 -9.073 2.560 1.00 0.00 C ATOM 1256 CD GLU B 30 6.485 -9.413 1.083 1.00 0.00 C ATOM 1257 OE1 GLU B 30 5.420 -9.909 0.754 1.00 0.00 O ATOM 1258 OE2 GLU B 30 7.395 -9.174 0.306 1.00 0.00 O ATOM 0 H GLU B 30 5.082 -10.978 5.466 1.00 0.00 H new ATOM 0 HA GLU B 30 4.662 -8.491 3.997 1.00 0.00 H new ATOM 0 HB2 GLU B 30 6.626 -10.376 4.283 1.00 0.00 H new ATOM 0 HB3 GLU B 30 5.848 -11.039 2.860 1.00 0.00 H new ATOM 0 HG2 GLU B 30 6.292 -8.083 2.776 1.00 0.00 H new ATOM 0 HG3 GLU B 30 7.758 -9.042 2.790 1.00 0.00 H new ATOM 1265 N GLY B 31 3.202 -11.196 2.831 1.00 0.00 N ATOM 1266 CA GLY B 31 2.126 -11.611 1.888 1.00 0.00 C ATOM 1267 C GLY B 31 0.845 -10.835 2.201 1.00 0.00 C ATOM 1268 O GLY B 31 0.084 -10.492 1.319 1.00 0.00 O ATOM 0 H GLY B 31 3.624 -11.953 3.368 1.00 0.00 H new ATOM 0 HA2 GLY B 31 2.436 -11.422 0.860 1.00 0.00 H new ATOM 0 HA3 GLY B 31 1.945 -12.682 1.975 1.00 0.00 H new ATOM 1272 N LEU B 32 0.603 -10.552 3.452 1.00 0.00 N ATOM 1273 CA LEU B 32 -0.628 -9.794 3.820 1.00 0.00 C ATOM 1274 C LEU B 32 -0.536 -8.358 3.298 1.00 0.00 C ATOM 1275 O LEU B 32 -1.510 -7.782 2.858 1.00 0.00 O ATOM 1276 CB LEU B 32 -0.660 -9.810 5.348 1.00 0.00 C ATOM 1277 CG LEU B 32 -2.036 -9.352 5.836 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -3.102 -10.341 5.360 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -2.040 -9.296 7.365 1.00 0.00 C ATOM 0 H LEU B 32 1.203 -10.812 4.235 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.529 -10.231 3.390 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.448 -10.814 5.716 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.115 -9.154 5.745 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.254 -8.362 5.434 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -4.082 -10.015 5.708 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.099 -10.383 4.271 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.885 -11.331 5.762 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.020 -8.970 7.715 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.823 -10.286 7.766 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.280 -8.592 7.705 1.00 0.00 H new ATOM 1291 N MET B 33 0.632 -7.779 3.345 1.00 0.00 N ATOM 1292 CA MET B 33 0.795 -6.381 2.851 1.00 0.00 C ATOM 1293 C MET B 33 0.587 -6.328 1.334 1.00 0.00 C ATOM 1294 O MET B 33 0.260 -5.298 0.778 1.00 0.00 O ATOM 1295 CB MET B 33 2.235 -6.009 3.205 1.00 0.00 C ATOM 1296 CG MET B 33 2.259 -4.676 3.960 1.00 0.00 C ATOM 1297 SD MET B 33 3.953 -4.310 4.480 1.00 0.00 S ATOM 1298 CE MET B 33 4.683 -4.242 2.825 1.00 0.00 C ATOM 0 H MET B 33 1.482 -8.213 3.704 1.00 0.00 H new ATOM 0 HA MET B 33 0.072 -5.697 3.295 1.00 0.00 H new ATOM 0 HB2 MET B 33 2.682 -6.792 3.818 1.00 0.00 H new ATOM 0 HB3 MET B 33 2.834 -5.934 2.297 1.00 0.00 H new ATOM 0 HG2 MET B 33 1.882 -3.877 3.321 1.00 0.00 H new ATOM 0 HG3 MET B 33 1.603 -4.726 4.829 1.00 0.00 H new ATOM 0 HE1 MET B 33 5.336 -3.372 2.751 1.00 0.00 H new ATOM 0 HE2 MET B 33 5.263 -5.147 2.646 1.00 0.00 H new ATOM 0 HE3 MET B 33 3.890 -4.166 2.081 1.00 0.00 H new ATOM 1308 N MET B 34 0.781 -7.430 0.661 1.00 0.00 N ATOM 1309 CA MET B 34 0.601 -7.442 -0.820 1.00 0.00 C ATOM 1310 C MET B 34 -0.883 -7.549 -1.182 1.00 0.00 C ATOM 1311 O MET B 34 -1.425 -6.705 -1.866 1.00 0.00 O ATOM 1312 CB MET B 34 1.359 -8.681 -1.300 1.00 0.00 C ATOM 1313 CG MET B 34 1.669 -8.544 -2.792 1.00 0.00 C ATOM 1314 SD MET B 34 3.372 -7.973 -3.005 1.00 0.00 S ATOM 1315 CE MET B 34 2.998 -6.215 -3.211 1.00 0.00 C ATOM 0 H MET B 34 1.056 -8.322 1.072 1.00 0.00 H new ATOM 0 HA MET B 34 0.971 -6.528 -1.284 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.284 -8.796 -0.735 1.00 0.00 H new ATOM 0 HB3 MET B 34 0.763 -9.576 -1.122 1.00 0.00 H new ATOM 0 HG2 MET B 34 1.530 -9.502 -3.292 1.00 0.00 H new ATOM 0 HG3 MET B 34 0.978 -7.840 -3.255 1.00 0.00 H new ATOM 0 HE1 MET B 34 3.416 -5.862 -4.154 1.00 0.00 H new ATOM 0 HE2 MET B 34 1.918 -6.071 -3.216 1.00 0.00 H new ATOM 0 HE3 MET B 34 3.435 -5.651 -2.387 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.545 -8.580 -0.729 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.994 -8.738 -1.052 1.00 0.00 C ATOM 1327 C GLN B 35 -3.753 -7.442 -0.751 1.00 0.00 C ATOM 1328 O GLN B 35 -4.700 -7.093 -1.428 1.00 0.00 O ATOM 1329 CB GLN B 35 -3.483 -9.870 -0.145 1.00 0.00 C ATOM 1330 CG GLN B 35 -3.204 -9.511 1.317 1.00 0.00 C ATOM 1331 CD GLN B 35 -3.690 -10.645 2.221 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.752 -10.560 2.804 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -2.952 -11.712 2.363 1.00 0.00 N ATOM 0 H GLN B 35 -1.146 -9.319 -0.150 1.00 0.00 H new ATOM 0 HA GLN B 35 -3.157 -8.961 -2.106 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -4.551 -10.033 -0.293 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.979 -10.801 -0.404 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -2.137 -9.345 1.465 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -3.710 -8.581 1.577 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -2.060 -11.784 1.874 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -3.267 -12.474 2.963 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.340 -6.724 0.257 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.032 -5.449 0.598 1.00 0.00 C ATOM 1344 C HIS B 36 -3.555 -4.328 -0.330 1.00 0.00 C ATOM 1345 O HIS B 36 -4.338 -3.702 -1.017 1.00 0.00 O ATOM 1346 CB HIS B 36 -3.633 -5.158 2.042 1.00 0.00 C ATOM 1347 CG HIS B 36 -4.346 -6.112 2.962 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -5.685 -6.432 2.801 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -3.919 -6.823 4.056 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -6.014 -7.301 3.775 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -4.974 -7.573 4.568 1.00 0.00 N ATOM 0 H HIS B 36 -2.553 -6.965 0.859 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.114 -5.519 0.482 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -2.554 -5.260 2.160 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -3.886 -4.130 2.300 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -2.917 -6.803 4.458 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -6.999 -7.726 3.900 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -4.957 -8.196 5.375 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.271 -4.075 -0.362 1.00 0.00 N ATOM 1360 CA ALA B 37 -1.737 -3.000 -1.251 1.00 0.00 C ATOM 1361 C ALA B 37 -2.303 -3.161 -2.666 1.00 0.00 C ATOM 1362 O ALA B 37 -2.443 -2.204 -3.404 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.219 -3.203 -1.250 1.00 0.00 C ATOM 0 H ALA B 37 -1.569 -4.568 0.190 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.013 -2.002 -0.910 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.249 -2.449 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA B 37 0.160 -3.109 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA B 37 0.016 -4.196 -1.634 1.00 0.00 H new ATOM 1369 N GLN B 38 -2.642 -4.365 -3.041 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.215 -4.591 -4.399 1.00 0.00 C ATOM 1371 C GLN B 38 -4.688 -4.174 -4.408 1.00 0.00 C ATOM 1372 O GLN B 38 -5.174 -3.589 -5.355 1.00 0.00 O ATOM 1373 CB GLN B 38 -3.079 -6.094 -4.643 1.00 0.00 C ATOM 1374 CG GLN B 38 -1.876 -6.357 -5.552 1.00 0.00 C ATOM 1375 CD GLN B 38 -1.962 -7.778 -6.113 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -2.103 -8.729 -5.371 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -1.883 -7.963 -7.403 1.00 0.00 N ATOM 0 H GLN B 38 -2.547 -5.202 -2.466 1.00 0.00 H new ATOM 0 HA GLN B 38 -2.708 -4.012 -5.171 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -2.953 -6.617 -3.695 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.988 -6.482 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -1.857 -5.633 -6.367 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -0.949 -6.231 -4.992 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -1.765 -7.164 -8.026 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.940 -8.906 -7.787 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.395 -4.464 -3.350 1.00 0.00 N ATOM 1387 CA ASN B 39 -6.834 -4.077 -3.281 1.00 0.00 C ATOM 1388 C ASN B 39 -6.971 -2.744 -2.542 1.00 0.00 C ATOM 1389 O ASN B 39 -7.971 -2.470 -1.909 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.511 -5.200 -2.496 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.566 -6.464 -3.357 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -7.540 -6.388 -4.569 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -7.641 -7.630 -2.777 1.00 0.00 N ATOM 0 H ASN B 39 -5.038 -4.953 -2.529 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.282 -3.949 -4.266 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.961 -5.398 -1.576 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.518 -4.900 -2.207 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -7.678 -8.479 -3.341 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -7.663 -7.693 -1.759 1.00 0.00 H new ATOM 1400 N LEU B 40 -5.963 -1.917 -2.617 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.012 -0.597 -1.925 1.00 0.00 C ATOM 1402 C LEU B 40 -6.310 -0.782 -0.435 1.00 0.00 C ATOM 1403 O LEU B 40 -6.856 0.089 0.211 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.138 0.179 -2.610 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.650 0.699 -3.963 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -7.109 -0.250 -5.071 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.231 2.092 -4.212 1.00 0.00 C ATOM 0 H LEU B 40 -5.102 -2.101 -3.132 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.061 -0.069 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.006 -0.465 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.455 1.011 -1.982 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.561 0.753 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.761 0.121 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.696 -1.243 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.198 -0.305 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.884 2.464 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.320 2.037 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.904 2.769 -3.423 1.00 0.00 H new ATOM 1419 N GLU B 41 -5.942 -1.904 0.118 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.192 -2.134 1.570 1.00 0.00 C ATOM 1421 C GLU B 41 -4.899 -1.915 2.366 1.00 0.00 C ATOM 1422 O GLU B 41 -4.791 -2.305 3.511 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.650 -3.589 1.671 1.00 0.00 C ATOM 1424 CG GLU B 41 -7.885 -3.675 2.569 1.00 0.00 C ATOM 1425 CD GLU B 41 -9.148 -3.639 1.707 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -9.227 -2.779 0.844 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -10.015 -4.470 1.924 1.00 0.00 O ATOM 0 H GLU B 41 -5.480 -2.671 -0.371 1.00 0.00 H new ATOM 0 HA GLU B 41 -6.936 -1.449 1.977 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.881 -3.978 0.679 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -5.849 -4.206 2.077 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.858 -4.594 3.155 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.891 -2.846 3.277 1.00 0.00 H new ATOM 1434 N PHE B 42 -3.916 -1.296 1.763 1.00 0.00 N ATOM 1435 CA PHE B 42 -2.629 -1.051 2.470 1.00 0.00 C ATOM 1436 C PHE B 42 -2.841 -0.224 3.740 1.00 0.00 C ATOM 1437 O PHE B 42 -1.962 -0.138 4.569 1.00 0.00 O ATOM 1438 CB PHE B 42 -1.743 -0.293 1.475 1.00 0.00 C ATOM 1439 CG PHE B 42 -2.482 0.899 0.913 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -2.812 1.991 1.748 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -2.837 0.927 -0.455 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -3.496 3.105 1.214 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.514 2.037 -0.984 1.00 0.00 C ATOM 1444 CZ PHE B 42 -3.846 3.128 -0.152 1.00 0.00 C ATOM 0 H PHE B 42 -3.953 -0.949 0.805 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.171 -1.988 2.787 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -0.830 0.038 1.970 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -1.444 -0.958 0.665 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -2.541 1.973 2.793 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -2.587 0.093 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -3.751 3.939 1.851 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.782 2.056 -2.030 1.00 0.00 H new ATOM 0 HZ PHE B 42 -4.368 3.980 -0.561 1.00 0.00 H new ATOM 1454 N GLU B 43 -3.988 0.385 3.918 1.00 0.00 N ATOM 1455 CA GLU B 43 -4.204 1.190 5.165 1.00 0.00 C ATOM 1456 C GLU B 43 -3.805 0.354 6.391 1.00 0.00 C ATOM 1457 O GLU B 43 -2.868 0.681 7.092 1.00 0.00 O ATOM 1458 CB GLU B 43 -5.701 1.574 5.203 1.00 0.00 C ATOM 1459 CG GLU B 43 -6.606 0.422 4.731 1.00 0.00 C ATOM 1460 CD GLU B 43 -7.448 0.891 3.544 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -6.909 1.583 2.697 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -8.619 0.550 3.502 1.00 0.00 O ATOM 0 H GLU B 43 -4.773 0.362 3.267 1.00 0.00 H new ATOM 0 HA GLU B 43 -3.592 2.092 5.175 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.976 1.858 6.219 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.867 2.447 4.572 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -6.000 -0.437 4.444 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.254 0.097 5.545 1.00 0.00 H new ATOM 1469 N GLU B 44 -4.474 -0.738 6.630 1.00 0.00 N ATOM 1470 CA GLU B 44 -4.096 -1.609 7.776 1.00 0.00 C ATOM 1471 C GLU B 44 -2.937 -2.531 7.364 1.00 0.00 C ATOM 1472 O GLU B 44 -2.241 -3.081 8.194 1.00 0.00 O ATOM 1473 CB GLU B 44 -5.351 -2.425 8.090 1.00 0.00 C ATOM 1474 CG GLU B 44 -5.766 -3.225 6.853 1.00 0.00 C ATOM 1475 CD GLU B 44 -6.551 -4.465 7.286 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -5.935 -5.381 7.806 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -7.756 -4.478 7.090 1.00 0.00 O ATOM 0 H GLU B 44 -5.268 -1.066 6.080 1.00 0.00 H new ATOM 0 HA GLU B 44 -3.762 -1.039 8.643 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -5.159 -3.100 8.924 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -6.161 -1.762 8.396 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -6.377 -2.607 6.195 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -4.884 -3.520 6.285 1.00 0.00 H new ATOM 1484 N ALA B 45 -2.747 -2.715 6.080 1.00 0.00 N ATOM 1485 CA ALA B 45 -1.658 -3.615 5.593 1.00 0.00 C ATOM 1486 C ALA B 45 -0.291 -2.921 5.641 1.00 0.00 C ATOM 1487 O ALA B 45 0.629 -3.396 6.278 1.00 0.00 O ATOM 1488 CB ALA B 45 -2.041 -3.930 4.146 1.00 0.00 C ATOM 0 H ALA B 45 -3.303 -2.277 5.345 1.00 0.00 H new ATOM 0 HA ALA B 45 -1.566 -4.507 6.212 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.292 -4.589 3.707 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -3.014 -4.421 4.126 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -2.090 -3.004 3.573 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.148 -1.813 4.954 1.00 0.00 N ATOM 1495 CA ALA B 46 1.161 -1.082 4.931 1.00 0.00 C ATOM 1496 C ALA B 46 1.790 -1.029 6.327 1.00 0.00 C ATOM 1497 O ALA B 46 2.995 -0.975 6.471 1.00 0.00 O ATOM 1498 CB ALA B 46 0.822 0.329 4.446 1.00 0.00 C ATOM 0 H ALA B 46 -0.889 -1.379 4.403 1.00 0.00 H new ATOM 0 HA ALA B 46 1.885 -1.579 4.286 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.732 0.927 4.402 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.375 0.275 3.453 1.00 0.00 H new ATOM 0 HB3 ALA B 46 0.117 0.791 5.136 1.00 0.00 H new ATOM 1504 N GLN B 47 0.989 -1.053 7.357 1.00 0.00 N ATOM 1505 CA GLN B 47 1.559 -1.013 8.732 1.00 0.00 C ATOM 1506 C GLN B 47 2.462 -2.228 8.951 1.00 0.00 C ATOM 1507 O GLN B 47 3.434 -2.168 9.677 1.00 0.00 O ATOM 1508 CB GLN B 47 0.357 -1.064 9.670 1.00 0.00 C ATOM 1509 CG GLN B 47 -0.574 0.114 9.374 1.00 0.00 C ATOM 1510 CD GLN B 47 -0.387 1.194 10.442 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -0.056 0.896 11.572 1.00 0.00 O ATOM 1512 NE2 GLN B 47 -0.587 2.445 10.129 1.00 0.00 N ATOM 0 H GLN B 47 -0.029 -1.098 7.306 1.00 0.00 H new ATOM 0 HA GLN B 47 2.164 -0.123 8.904 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.178 -2.005 9.541 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.690 -1.026 10.707 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -0.358 0.523 8.387 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -1.611 -0.223 9.360 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -0.865 2.695 9.180 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -0.465 3.173 10.833 1.00 0.00 H new ATOM 1521 N ILE B 48 2.155 -3.332 8.320 1.00 0.00 N ATOM 1522 CA ILE B 48 3.008 -4.545 8.488 1.00 0.00 C ATOM 1523 C ILE B 48 4.461 -4.191 8.175 1.00 0.00 C ATOM 1524 O ILE B 48 5.380 -4.732 8.757 1.00 0.00 O ATOM 1525 CB ILE B 48 2.470 -5.563 7.482 1.00 0.00 C ATOM 1526 CG1 ILE B 48 1.035 -5.941 7.855 1.00 0.00 C ATOM 1527 CG2 ILE B 48 3.347 -6.816 7.505 1.00 0.00 C ATOM 1528 CD1 ILE B 48 0.437 -6.823 6.757 1.00 0.00 C ATOM 0 H ILE B 48 1.354 -3.445 7.699 1.00 0.00 H new ATOM 0 HA ILE B 48 2.979 -4.939 9.504 1.00 0.00 H new ATOM 0 HB ILE B 48 2.484 -5.127 6.483 1.00 0.00 H new ATOM 0 HG12 ILE B 48 1.023 -6.470 8.808 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.432 -5.042 7.982 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.963 -7.542 6.788 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.370 -6.549 7.239 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.333 -7.251 8.504 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -0.585 -7.092 7.023 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.435 -6.278 5.813 1.00 0.00 H new ATOM 0 HD13 ILE B 48 1.035 -7.728 6.652 1.00 0.00 H new ATOM 1540 N ARG B 49 4.669 -3.272 7.265 1.00 0.00 N ATOM 1541 CA ARG B 49 6.062 -2.853 6.916 1.00 0.00 C ATOM 1542 C ARG B 49 6.865 -2.604 8.201 1.00 0.00 C ATOM 1543 O ARG B 49 8.048 -2.871 8.269 1.00 0.00 O ATOM 1544 CB ARG B 49 5.880 -1.559 6.110 1.00 0.00 C ATOM 1545 CG ARG B 49 7.213 -0.816 5.965 1.00 0.00 C ATOM 1546 CD ARG B 49 7.084 0.582 6.577 1.00 0.00 C ATOM 1547 NE ARG B 49 6.694 0.353 7.998 1.00 0.00 N ATOM 1548 CZ ARG B 49 7.492 0.731 8.959 1.00 0.00 C ATOM 1549 NH1 ARG B 49 8.735 0.334 8.969 1.00 0.00 N ATOM 1550 NH2 ARG B 49 7.048 1.508 9.909 1.00 0.00 N ATOM 0 H ARG B 49 3.932 -2.793 6.747 1.00 0.00 H new ATOM 0 HA ARG B 49 6.609 -3.606 6.349 1.00 0.00 H new ATOM 0 HB2 ARG B 49 5.480 -1.793 5.124 1.00 0.00 H new ATOM 0 HB3 ARG B 49 5.152 -0.916 6.605 1.00 0.00 H new ATOM 0 HG2 ARG B 49 8.008 -1.371 6.463 1.00 0.00 H new ATOM 0 HG3 ARG B 49 7.488 -0.741 4.913 1.00 0.00 H new ATOM 0 HD2 ARG B 49 8.024 1.129 6.510 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.333 1.173 6.053 1.00 0.00 H new ATOM 0 HE ARG B 49 5.806 -0.098 8.218 1.00 0.00 H new ATOM 0 HH11 ARG B 49 9.083 -0.272 8.226 1.00 0.00 H new ATOM 0 HH12 ARG B 49 9.359 0.629 9.720 1.00 0.00 H new ATOM 0 HH21 ARG B 49 6.077 1.820 9.901 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.672 1.803 10.660 1.00 0.00 H new ATOM 1564 N ASP B 50 6.220 -2.113 9.224 1.00 0.00 N ATOM 1565 CA ASP B 50 6.937 -1.870 10.506 1.00 0.00 C ATOM 1566 C ASP B 50 7.355 -3.212 11.107 1.00 0.00 C ATOM 1567 O ASP B 50 8.438 -3.358 11.638 1.00 0.00 O ATOM 1568 CB ASP B 50 5.921 -1.166 11.406 1.00 0.00 C ATOM 1569 CG ASP B 50 6.579 -0.817 12.743 1.00 0.00 C ATOM 1570 OD1 ASP B 50 7.331 0.144 12.776 1.00 0.00 O ATOM 1571 OD2 ASP B 50 6.320 -1.515 13.709 1.00 0.00 O ATOM 0 H ASP B 50 5.229 -1.870 9.227 1.00 0.00 H new ATOM 0 HA ASP B 50 7.839 -1.270 10.381 1.00 0.00 H new ATOM 0 HB2 ASP B 50 5.556 -0.261 10.921 1.00 0.00 H new ATOM 0 HB3 ASP B 50 5.057 -1.810 11.571 1.00 0.00 H new ATOM 1576 N GLN B 51 6.505 -4.198 11.011 1.00 0.00 N ATOM 1577 CA GLN B 51 6.851 -5.539 11.561 1.00 0.00 C ATOM 1578 C GLN B 51 7.755 -6.279 10.571 1.00 0.00 C ATOM 1579 O GLN B 51 8.627 -7.034 10.954 1.00 0.00 O ATOM 1580 CB GLN B 51 5.514 -6.266 11.716 1.00 0.00 C ATOM 1581 CG GLN B 51 4.564 -5.418 12.564 1.00 0.00 C ATOM 1582 CD GLN B 51 3.158 -6.019 12.513 1.00 0.00 C ATOM 1583 OE1 GLN B 51 2.177 -5.305 12.556 1.00 0.00 O ATOM 1584 NE2 GLN B 51 3.019 -7.314 12.422 1.00 0.00 N ATOM 0 H GLN B 51 5.585 -4.132 10.575 1.00 0.00 H new ATOM 0 HA GLN B 51 7.386 -5.478 12.509 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.074 -6.453 10.736 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.669 -7.237 12.186 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.917 -5.379 13.595 1.00 0.00 H new ATOM 0 HG3 GLN B 51 4.546 -4.393 12.194 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.843 -7.914 12.386 1.00 0.00 H new ATOM 0 HE22 GLN B 51 2.086 -7.726 12.387 1.00 0.00 H new ATOM 1593 N LEU B 52 7.552 -6.061 9.300 1.00 0.00 N ATOM 1594 CA LEU B 52 8.399 -6.742 8.278 1.00 0.00 C ATOM 1595 C LEU B 52 9.836 -6.222 8.362 1.00 0.00 C ATOM 1596 O LEU B 52 10.785 -6.962 8.193 1.00 0.00 O ATOM 1597 CB LEU B 52 7.773 -6.369 6.932 1.00 0.00 C ATOM 1598 CG LEU B 52 7.216 -7.625 6.257 1.00 0.00 C ATOM 1599 CD1 LEU B 52 8.356 -8.613 5.999 1.00 0.00 C ATOM 1600 CD2 LEU B 52 6.175 -8.276 7.169 1.00 0.00 C ATOM 0 H LEU B 52 6.835 -5.440 8.924 1.00 0.00 H new ATOM 0 HA LEU B 52 8.438 -7.822 8.423 1.00 0.00 H new ATOM 0 HB2 LEU B 52 6.976 -5.640 7.080 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.519 -5.900 6.290 1.00 0.00 H new ATOM 0 HG LEU B 52 6.750 -7.352 5.310 1.00 0.00 H new ATOM 0 HD11 LEU B 52 7.960 -9.508 5.518 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.099 -8.150 5.349 1.00 0.00 H new ATOM 0 HD13 LEU B 52 8.822 -8.886 6.946 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.778 -9.170 6.688 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.641 -8.549 8.116 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.363 -7.573 7.354 1.00 0.00 H new ATOM 1612 N HIS B 53 10.001 -4.955 8.625 1.00 0.00 N ATOM 1613 CA HIS B 53 11.376 -4.385 8.724 1.00 0.00 C ATOM 1614 C HIS B 53 11.996 -4.741 10.077 1.00 0.00 C ATOM 1615 O HIS B 53 13.114 -5.210 10.155 1.00 0.00 O ATOM 1616 CB HIS B 53 11.187 -2.872 8.601 1.00 0.00 C ATOM 1617 CG HIS B 53 11.052 -2.499 7.150 1.00 0.00 C ATOM 1618 ND1 HIS B 53 11.352 -1.229 6.684 1.00 0.00 N ATOM 1619 CD2 HIS B 53 10.651 -3.217 6.051 1.00 0.00 C ATOM 1620 CE1 HIS B 53 11.130 -1.222 5.357 1.00 0.00 C ATOM 1621 NE2 HIS B 53 10.701 -2.409 4.920 1.00 0.00 N ATOM 0 H HIS B 53 9.243 -4.289 8.776 1.00 0.00 H new ATOM 0 HA HIS B 53 12.043 -4.775 7.955 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.300 -2.560 9.152 1.00 0.00 H new ATOM 0 HB3 HIS B 53 12.036 -2.352 9.044 1.00 0.00 H new ATOM 0 HD2 HIS B 53 10.343 -4.252 6.063 1.00 0.00 H new ATOM 0 HE1 HIS B 53 11.280 -0.361 4.722 1.00 0.00 H new ATOM 0 HE2 HIS B 53 10.462 -2.667 3.963 1.00 0.00 H new ATOM 1629 N GLN B 54 11.278 -4.521 11.145 1.00 0.00 N ATOM 1630 CA GLN B 54 11.827 -4.849 12.492 1.00 0.00 C ATOM 1631 C GLN B 54 12.200 -6.333 12.560 1.00 0.00 C ATOM 1632 O GLN B 54 13.171 -6.711 13.184 1.00 0.00 O ATOM 1633 CB GLN B 54 10.694 -4.535 13.469 1.00 0.00 C ATOM 1634 CG GLN B 54 11.135 -4.883 14.893 1.00 0.00 C ATOM 1635 CD GLN B 54 10.807 -3.719 15.829 1.00 0.00 C ATOM 1636 OE1 GLN B 54 9.653 -3.422 16.066 1.00 0.00 O ATOM 1637 NE2 GLN B 54 11.781 -3.042 16.374 1.00 0.00 N ATOM 0 H GLN B 54 10.336 -4.129 11.143 1.00 0.00 H new ATOM 0 HA GLN B 54 12.730 -4.282 12.721 1.00 0.00 H new ATOM 0 HB2 GLN B 54 10.428 -3.480 13.407 1.00 0.00 H new ATOM 0 HB3 GLN B 54 9.803 -5.104 13.204 1.00 0.00 H new ATOM 0 HG2 GLN B 54 10.630 -5.788 15.230 1.00 0.00 H new ATOM 0 HG3 GLN B 54 12.205 -5.089 14.913 1.00 0.00 H new ATOM 0 HE21 GLN B 54 12.750 -3.292 16.175 1.00 0.00 H new ATOM 0 HE22 GLN B 54 11.573 -2.263 16.999 1.00 0.00 H new ATOM 1646 N LEU B 55 11.435 -7.176 11.921 1.00 0.00 N ATOM 1647 CA LEU B 55 11.746 -8.633 11.947 1.00 0.00 C ATOM 1648 C LEU B 55 13.013 -8.916 11.135 1.00 0.00 C ATOM 1649 O LEU B 55 13.724 -9.868 11.388 1.00 0.00 O ATOM 1650 CB LEU B 55 10.534 -9.308 11.305 1.00 0.00 C ATOM 1651 CG LEU B 55 9.473 -9.575 12.374 1.00 0.00 C ATOM 1652 CD1 LEU B 55 8.083 -9.536 11.735 1.00 0.00 C ATOM 1653 CD2 LEU B 55 9.709 -10.954 12.993 1.00 0.00 C ATOM 0 H LEU B 55 10.608 -6.918 11.382 1.00 0.00 H new ATOM 0 HA LEU B 55 11.928 -9.000 12.957 1.00 0.00 H new ATOM 0 HB2 LEU B 55 10.123 -8.672 10.521 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.833 -10.244 10.833 1.00 0.00 H new ATOM 0 HG LEU B 55 9.539 -8.811 13.149 1.00 0.00 H new ATOM 0 HD11 LEU B 55 7.327 -9.726 12.497 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.913 -8.554 11.293 1.00 0.00 H new ATOM 0 HD13 LEU B 55 8.017 -10.300 10.960 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.953 -11.145 13.755 1.00 0.00 H new ATOM 0 HD22 LEU B 55 9.643 -11.717 12.217 1.00 0.00 H new ATOM 0 HD23 LEU B 55 10.699 -10.984 13.448 1.00 0.00 H new ATOM 1665 N ARG B 56 13.301 -8.094 10.162 1.00 0.00 N ATOM 1666 CA ARG B 56 14.522 -8.315 9.337 1.00 0.00 C ATOM 1667 C ARG B 56 15.776 -8.188 10.206 1.00 0.00 C ATOM 1668 O ARG B 56 16.607 -9.072 10.246 1.00 0.00 O ATOM 1669 CB ARG B 56 14.488 -7.213 8.276 1.00 0.00 C ATOM 1670 CG ARG B 56 15.754 -7.289 7.420 1.00 0.00 C ATOM 1671 CD ARG B 56 16.492 -5.949 7.479 1.00 0.00 C ATOM 1672 NE ARG B 56 16.964 -5.709 6.087 1.00 0.00 N ATOM 1673 CZ ARG B 56 17.218 -4.494 5.685 1.00 0.00 C ATOM 1674 NH1 ARG B 56 18.100 -3.768 6.317 1.00 0.00 N ATOM 1675 NH2 ARG B 56 16.590 -4.003 4.652 1.00 0.00 N ATOM 0 H ARG B 56 12.744 -7.280 9.903 1.00 0.00 H new ATOM 0 HA ARG B 56 14.546 -9.309 8.890 1.00 0.00 H new ATOM 0 HB2 ARG B 56 13.604 -7.325 7.648 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.417 -6.236 8.754 1.00 0.00 H new ATOM 0 HG2 ARG B 56 16.401 -8.089 7.780 1.00 0.00 H new ATOM 0 HG3 ARG B 56 15.495 -7.528 6.389 1.00 0.00 H new ATOM 0 HD2 ARG B 56 15.832 -5.149 7.816 1.00 0.00 H new ATOM 0 HD3 ARG B 56 17.327 -5.989 8.178 1.00 0.00 H new ATOM 0 HE ARG B 56 17.089 -6.494 5.448 1.00 0.00 H new ATOM 0 HH11 ARG B 56 18.591 -4.151 7.125 1.00 0.00 H new ATOM 0 HH12 ARG B 56 18.298 -2.818 6.003 1.00 0.00 H new ATOM 0 HH21 ARG B 56 15.900 -4.569 4.158 1.00 0.00 H new ATOM 0 HH22 ARG B 56 16.789 -3.053 4.338 1.00 0.00 H new ATOM 1689 N GLU B 57 15.917 -7.093 10.902 1.00 0.00 N ATOM 1690 CA GLU B 57 17.116 -6.910 11.769 1.00 0.00 C ATOM 1691 C GLU B 57 17.055 -7.872 12.959 1.00 0.00 C ATOM 1692 O GLU B 57 18.068 -8.310 13.468 1.00 0.00 O ATOM 1693 CB GLU B 57 17.043 -5.460 12.247 1.00 0.00 C ATOM 1694 CG GLU B 57 18.209 -5.174 13.194 1.00 0.00 C ATOM 1695 CD GLU B 57 19.279 -4.365 12.459 1.00 0.00 C ATOM 1696 OE1 GLU B 57 19.033 -3.198 12.195 1.00 0.00 O ATOM 1697 OE2 GLU B 57 20.325 -4.924 12.174 1.00 0.00 O ATOM 0 H GLU B 57 15.254 -6.318 10.908 1.00 0.00 H new ATOM 0 HA GLU B 57 18.046 -7.116 11.239 1.00 0.00 H new ATOM 0 HB2 GLU B 57 17.080 -4.783 11.394 1.00 0.00 H new ATOM 0 HB3 GLU B 57 16.096 -5.281 12.756 1.00 0.00 H new ATOM 0 HG2 GLU B 57 17.856 -4.623 14.066 1.00 0.00 H new ATOM 0 HG3 GLU B 57 18.633 -6.110 13.559 1.00 0.00 H new ATOM 1704 N LEU B 58 15.874 -8.202 13.407 1.00 0.00 N ATOM 1705 CA LEU B 58 15.748 -9.136 14.563 1.00 0.00 C ATOM 1706 C LEU B 58 16.179 -10.547 14.154 1.00 0.00 C ATOM 1707 O LEU B 58 16.502 -11.373 14.986 1.00 0.00 O ATOM 1708 CB LEU B 58 14.264 -9.114 14.929 1.00 0.00 C ATOM 1709 CG LEU B 58 13.957 -7.858 15.745 1.00 0.00 C ATOM 1710 CD1 LEU B 58 12.467 -7.824 16.090 1.00 0.00 C ATOM 1711 CD2 LEU B 58 14.778 -7.876 17.036 1.00 0.00 C ATOM 0 H LEU B 58 14.991 -7.865 13.023 1.00 0.00 H new ATOM 0 HA LEU B 58 16.380 -8.843 15.401 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.656 -9.130 14.025 1.00 0.00 H new ATOM 0 HB3 LEU B 58 14.007 -10.005 15.502 1.00 0.00 H new ATOM 0 HG LEU B 58 14.215 -6.974 15.161 1.00 0.00 H new ATOM 0 HD11 LEU B 58 12.249 -6.928 16.672 1.00 0.00 H new ATOM 0 HD12 LEU B 58 11.881 -7.812 15.171 1.00 0.00 H new ATOM 0 HD13 LEU B 58 12.208 -8.708 16.673 1.00 0.00 H new ATOM 0 HD21 LEU B 58 14.560 -6.981 17.618 1.00 0.00 H new ATOM 0 HD22 LEU B 58 14.520 -8.760 17.619 1.00 0.00 H new ATOM 0 HD23 LEU B 58 15.840 -7.900 16.792 1.00 0.00 H new ATOM 1723 N PHE B 59 16.189 -10.833 12.880 1.00 0.00 N ATOM 1724 CA PHE B 59 16.599 -12.191 12.420 1.00 0.00 C ATOM 1725 C PHE B 59 17.956 -12.568 13.024 1.00 0.00 C ATOM 1726 O PHE B 59 18.248 -13.727 13.243 1.00 0.00 O ATOM 1727 CB PHE B 59 16.701 -12.080 10.899 1.00 0.00 C ATOM 1728 CG PHE B 59 17.149 -13.403 10.327 1.00 0.00 C ATOM 1729 CD1 PHE B 59 16.193 -14.382 9.976 1.00 0.00 C ATOM 1730 CD2 PHE B 59 18.526 -13.663 10.141 1.00 0.00 C ATOM 1731 CE1 PHE B 59 16.612 -15.620 9.439 1.00 0.00 C ATOM 1732 CE2 PHE B 59 18.946 -14.901 9.605 1.00 0.00 C ATOM 1733 CZ PHE B 59 17.989 -15.879 9.254 1.00 0.00 C ATOM 0 H PHE B 59 15.931 -10.184 12.137 1.00 0.00 H new ATOM 0 HA PHE B 59 15.891 -12.961 12.726 1.00 0.00 H new ATOM 0 HB2 PHE B 59 15.736 -11.798 10.479 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.408 -11.296 10.627 1.00 0.00 H new ATOM 0 HD1 PHE B 59 15.141 -14.184 10.118 1.00 0.00 H new ATOM 0 HD2 PHE B 59 19.257 -12.915 10.409 1.00 0.00 H new ATOM 0 HE1 PHE B 59 15.881 -16.368 9.170 1.00 0.00 H new ATOM 0 HE2 PHE B 59 19.998 -15.099 9.464 1.00 0.00 H new ATOM 0 HZ PHE B 59 18.310 -16.825 8.844 1.00 0.00 H new ATOM 1743 N ILE B 60 18.786 -11.599 13.293 1.00 0.00 N ATOM 1744 CA ILE B 60 20.121 -11.903 13.882 1.00 0.00 C ATOM 1745 C ILE B 60 19.978 -12.250 15.366 1.00 0.00 C ATOM 1746 O ILE B 60 20.632 -13.141 15.871 1.00 0.00 O ATOM 1747 CB ILE B 60 20.933 -10.619 13.707 1.00 0.00 C ATOM 1748 CG1 ILE B 60 21.030 -10.275 12.218 1.00 0.00 C ATOM 1749 CG2 ILE B 60 22.339 -10.822 14.276 1.00 0.00 C ATOM 1750 CD1 ILE B 60 21.691 -11.431 11.463 1.00 0.00 C ATOM 0 H ILE B 60 18.598 -10.610 13.131 1.00 0.00 H new ATOM 0 HA ILE B 60 20.600 -12.756 13.402 1.00 0.00 H new ATOM 0 HB ILE B 60 20.441 -9.804 14.237 1.00 0.00 H new ATOM 0 HG12 ILE B 60 20.036 -10.085 11.813 1.00 0.00 H new ATOM 0 HG13 ILE B 60 21.609 -9.361 12.083 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.918 -9.907 14.151 1.00 0.00 H new ATOM 0 HG22 ILE B 60 22.271 -11.066 15.336 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.831 -11.638 13.747 1.00 0.00 H new ATOM 0 HD11 ILE B 60 21.758 -11.183 10.404 1.00 0.00 H new ATOM 0 HD12 ILE B 60 22.692 -11.600 11.860 1.00 0.00 H new ATOM 0 HD13 ILE B 60 21.094 -12.335 11.586 1.00 0.00 H new ATOM 1762 N ALA B 61 19.125 -11.555 16.067 1.00 0.00 N ATOM 1763 CA ALA B 61 18.940 -11.846 17.518 1.00 0.00 C ATOM 1764 C ALA B 61 18.485 -13.295 17.711 1.00 0.00 C ATOM 1765 O ALA B 61 18.703 -13.892 18.747 1.00 0.00 O ATOM 1766 CB ALA B 61 17.852 -10.877 17.980 1.00 0.00 C ATOM 0 H ALA B 61 18.548 -10.799 15.699 1.00 0.00 H new ATOM 0 HA ALA B 61 19.862 -11.724 18.086 1.00 0.00 H new ATOM 0 HB1 ALA B 61 17.657 -11.028 19.042 1.00 0.00 H new ATOM 0 HB2 ALA B 61 18.184 -9.852 17.814 1.00 0.00 H new ATOM 0 HB3 ALA B 61 16.939 -11.059 17.414 1.00 0.00 H new ATOM 1772 N ALA B 62 17.855 -13.866 16.720 1.00 0.00 N ATOM 1773 CA ALA B 62 17.388 -15.277 16.848 1.00 0.00 C ATOM 1774 C ALA B 62 18.381 -16.226 16.172 1.00 0.00 C ATOM 1775 O ALA B 62 19.049 -17.006 16.822 1.00 0.00 O ATOM 1776 CB ALA B 62 16.038 -15.313 16.131 1.00 0.00 C ATOM 0 H ALA B 62 17.644 -13.418 15.829 1.00 0.00 H new ATOM 0 HA ALA B 62 17.306 -15.593 17.888 1.00 0.00 H new ATOM 0 HB1 ALA B 62 15.626 -16.321 16.181 1.00 0.00 H new ATOM 0 HB2 ALA B 62 15.351 -14.617 16.613 1.00 0.00 H new ATOM 0 HB3 ALA B 62 16.172 -15.027 15.088 1.00 0.00 H new ATOM 1782 N SER B 63 18.484 -16.165 14.873 1.00 0.00 N ATOM 1783 CA SER B 63 19.434 -17.064 14.156 1.00 0.00 C ATOM 1784 C SER B 63 19.182 -18.522 14.551 1.00 0.00 C ATOM 1785 O SER B 63 18.138 -19.042 14.191 1.00 0.00 O ATOM 1786 CB SER B 63 20.822 -16.614 14.610 1.00 0.00 C ATOM 1787 OG SER B 63 21.809 -17.314 13.863 1.00 0.00 O ATOM 1788 OXT SER B 63 20.037 -19.096 15.207 1.00 0.00 O ATOM 0 H SER B 63 17.952 -15.532 14.276 1.00 0.00 H new ATOM 0 HA SER B 63 19.322 -17.007 13.073 1.00 0.00 H new ATOM 0 HB2 SER B 63 20.934 -15.539 14.466 1.00 0.00 H new ATOM 0 HB3 SER B 63 20.950 -16.808 15.675 1.00 0.00 H new ATOM 0 HG SER B 63 21.746 -18.273 14.055 1.00 0.00 H new TER 1794 SER B 63