USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 976 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 HIS : no HD1:sc= 0.566 K(o=2.5,f=-2.6!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= 1.28 K(o=2.5,f=-4.3!) USER MOD Set 1.3: A 113 CYS SG : rot 74:sc= 0.621 USER MOD Set 2.1: A 109 THR OG1 : rot 180:sc= 0.22 USER MOD Set 2.2: A 112 ASN : amide:sc= 0.68 K(o=0.9,f=-0.83!) USER MOD Set 3.1: A 89 CYS SG : rot 180:sc= 0.062 USER MOD Set 3.2: A 90 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00509) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.00055 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= 1.21 (180deg=0.96) USER MOD Single : A 21 TYR OH : rot 0:sc= 0.441 USER MOD Single : A 27 TYR OH : rot -144:sc= 1.21 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 174:sc= 1.09 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 64:sc= 0.808 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.1) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 91:sc= 2.03 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 2.34 K(o=2.3,f=-7.3!) USER MOD Single : A 77 ASN : amide:sc= 0.918 K(o=0.92,f=-2!) USER MOD Single : A 78 ASN : amide:sc= 0.576! C(o=0.58!,f=-6!) USER MOD Single : A 79 LYS NZ :NH3+ 154:sc= 1.25 (180deg=1.21) USER MOD Single : A 80 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 88:sc= 0.508 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.0938 K(o=-0.094,f=-1.1) USER MOD Single : A 102 GLN : amide:sc= 0.491 K(o=0.49,f=-0.075) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0771 USER MOD Single : A 115 HIS : no HD1:sc= -0.167 K(o=-0.17,f=-0.93) USER MOD Single : A 118 ASN : amide:sc= 0.876 K(o=0.88,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.683 3.693 -8.661 1.00 0.00 N ATOM 2 CA MET A 1 4.151 3.693 -7.277 1.00 0.00 C ATOM 3 C MET A 1 3.937 2.252 -6.802 1.00 0.00 C ATOM 4 O MET A 1 3.356 1.434 -7.522 1.00 0.00 O ATOM 5 CB MET A 1 2.853 4.524 -7.175 1.00 0.00 C ATOM 6 CG MET A 1 2.366 4.692 -5.725 1.00 0.00 C ATOM 7 SD MET A 1 0.927 5.783 -5.508 1.00 0.00 S ATOM 8 CE MET A 1 -0.384 4.772 -6.255 1.00 0.00 C ATOM 0 H1 MET A 1 4.409 4.575 -9.138 1.00 0.00 H new ATOM 0 H2 MET A 1 5.720 3.622 -8.634 1.00 0.00 H new ATOM 0 H3 MET A 1 4.294 2.882 -9.183 1.00 0.00 H new ATOM 0 HA MET A 1 4.882 4.166 -6.621 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.021 5.508 -7.613 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.071 4.043 -7.763 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.118 3.708 -5.326 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.189 5.081 -5.126 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.338 5.291 -6.167 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.158 4.603 -7.308 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.443 3.814 -5.739 1.00 0.00 H new ATOM 20 N ARG A 2 4.392 1.927 -5.584 1.00 0.00 N ATOM 21 CA ARG A 2 4.176 0.633 -4.929 1.00 0.00 C ATOM 22 C ARG A 2 4.071 0.868 -3.419 1.00 0.00 C ATOM 23 O ARG A 2 4.517 1.914 -2.934 1.00 0.00 O ATOM 24 CB ARG A 2 5.305 -0.354 -5.303 1.00 0.00 C ATOM 25 CG ARG A 2 6.687 0.026 -4.739 1.00 0.00 C ATOM 26 CD ARG A 2 7.809 -0.825 -5.347 1.00 0.00 C ATOM 27 NE ARG A 2 9.092 -0.542 -4.671 1.00 0.00 N ATOM 28 CZ ARG A 2 9.646 -1.262 -3.685 1.00 0.00 C ATOM 29 NH1 ARG A 2 9.160 -2.455 -3.361 1.00 0.00 N ATOM 30 NH2 ARG A 2 10.695 -0.784 -3.023 1.00 0.00 N ATOM 0 H ARG A 2 4.935 2.575 -5.013 1.00 0.00 H new ATOM 0 HA ARG A 2 3.247 0.177 -5.270 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.038 -1.347 -4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.373 -0.417 -6.389 1.00 0.00 H new ATOM 0 HG2 ARG A 2 6.883 1.080 -4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.684 -0.099 -3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.565 -1.883 -5.250 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.898 -0.614 -6.413 1.00 0.00 H new ATOM 0 HE ARG A 2 9.606 0.281 -4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.357 -2.832 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.590 -2.994 -2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.078 0.130 -3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.117 -1.331 -2.273 1.00 0.00 H new ATOM 44 N ALA A 3 3.485 -0.080 -2.686 1.00 0.00 N ATOM 45 CA ALA A 3 3.372 0.004 -1.231 1.00 0.00 C ATOM 46 C ALA A 3 4.770 0.027 -0.576 1.00 0.00 C ATOM 47 O ALA A 3 5.709 -0.544 -1.136 1.00 0.00 O ATOM 48 CB ALA A 3 2.524 -1.166 -0.714 1.00 0.00 C ATOM 0 H ALA A 3 3.076 -0.926 -3.084 1.00 0.00 H new ATOM 0 HA ALA A 3 2.874 0.935 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.440 -1.103 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.530 -1.119 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.999 -2.108 -0.987 1.00 0.00 H new ATOM 54 N PRO A 4 4.935 0.668 0.595 1.00 0.00 N ATOM 55 CA PRO A 4 6.213 0.724 1.298 1.00 0.00 C ATOM 56 C PRO A 4 6.552 -0.608 1.996 1.00 0.00 C ATOM 57 O PRO A 4 5.817 -1.597 1.907 1.00 0.00 O ATOM 58 CB PRO A 4 6.057 1.902 2.274 1.00 0.00 C ATOM 59 CG PRO A 4 4.568 1.901 2.610 1.00 0.00 C ATOM 60 CD PRO A 4 3.926 1.452 1.298 1.00 0.00 C ATOM 0 HA PRO A 4 7.056 0.876 0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.669 1.766 3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.364 2.843 1.818 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.338 1.218 3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.221 2.889 2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 4 3.033 0.857 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 4 3.617 2.311 0.703 1.00 0.00 H new ATOM 68 N ILE A 5 7.665 -0.607 2.741 1.00 0.00 N ATOM 69 CA ILE A 5 8.124 -1.686 3.621 1.00 0.00 C ATOM 70 C ILE A 5 8.483 -1.073 4.995 1.00 0.00 C ATOM 71 O ILE A 5 9.640 -1.132 5.417 1.00 0.00 O ATOM 72 CB ILE A 5 9.271 -2.488 2.945 1.00 0.00 C ATOM 73 CG1 ILE A 5 10.401 -1.594 2.370 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.680 -3.369 1.832 1.00 0.00 C ATOM 75 CD1 ILE A 5 11.654 -2.374 1.950 1.00 0.00 C ATOM 0 H ILE A 5 8.302 0.189 2.745 1.00 0.00 H new ATOM 0 HA ILE A 5 7.339 -2.422 3.796 1.00 0.00 H new ATOM 0 HB ILE A 5 9.734 -3.098 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.017 -1.049 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.680 -0.851 3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.479 -3.935 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.954 -4.059 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.188 -2.738 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.399 -1.682 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.064 -2.897 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.390 -3.098 1.179 1.00 0.00 H new ATOM 87 N PRO A 6 7.525 -0.420 5.686 1.00 0.00 N ATOM 88 CA PRO A 6 7.826 0.406 6.850 1.00 0.00 C ATOM 89 C PRO A 6 8.227 -0.424 8.073 1.00 0.00 C ATOM 90 O PRO A 6 9.247 -0.144 8.705 1.00 0.00 O ATOM 91 CB PRO A 6 6.557 1.237 7.077 1.00 0.00 C ATOM 92 CG PRO A 6 5.429 0.336 6.574 1.00 0.00 C ATOM 93 CD PRO A 6 6.089 -0.422 5.424 1.00 0.00 C ATOM 0 HA PRO A 6 8.694 1.043 6.683 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.428 1.488 8.130 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.592 2.177 6.527 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.073 -0.339 7.352 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.569 0.915 6.236 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.708 -1.442 5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.870 0.056 4.469 1.00 0.00 H new ATOM 101 N GLU A 7 7.431 -1.444 8.395 1.00 0.00 N ATOM 102 CA GLU A 7 7.590 -2.314 9.559 1.00 0.00 C ATOM 103 C GLU A 7 6.700 -3.566 9.403 1.00 0.00 C ATOM 104 O GLU A 7 5.669 -3.667 10.068 1.00 0.00 O ATOM 105 CB GLU A 7 7.340 -1.537 10.879 1.00 0.00 C ATOM 106 CG GLU A 7 6.083 -0.644 10.929 1.00 0.00 C ATOM 107 CD GLU A 7 5.979 0.116 12.264 1.00 0.00 C ATOM 108 OE1 GLU A 7 6.644 1.165 12.431 1.00 0.00 O ATOM 109 OE2 GLU A 7 5.208 -0.315 13.152 1.00 0.00 O ATOM 0 H GLU A 7 6.623 -1.697 7.826 1.00 0.00 H new ATOM 0 HA GLU A 7 8.622 -2.661 9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.277 -2.260 11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.210 -0.911 11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.110 0.069 10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.194 -1.259 10.790 1.00 0.00 H new ATOM 116 N PRO A 8 7.029 -4.508 8.492 1.00 0.00 N ATOM 117 CA PRO A 8 6.362 -5.810 8.436 1.00 0.00 C ATOM 118 C PRO A 8 6.406 -6.518 9.800 1.00 0.00 C ATOM 119 O PRO A 8 7.417 -6.445 10.507 1.00 0.00 O ATOM 120 CB PRO A 8 7.103 -6.626 7.368 1.00 0.00 C ATOM 121 CG PRO A 8 7.835 -5.577 6.533 1.00 0.00 C ATOM 122 CD PRO A 8 8.131 -4.468 7.541 1.00 0.00 C ATOM 0 HA PRO A 8 5.307 -5.698 8.186 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.800 -7.332 7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.410 -7.207 6.759 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.750 -5.978 6.096 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.219 -5.217 5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.086 -4.634 8.039 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.192 -3.497 7.050 1.00 0.00 H new ATOM 130 N LYS A 9 5.337 -7.235 10.156 1.00 0.00 N ATOM 131 CA LYS A 9 5.181 -7.933 11.437 1.00 0.00 C ATOM 132 C LYS A 9 4.667 -9.351 11.172 1.00 0.00 C ATOM 133 O LYS A 9 4.099 -9.593 10.102 1.00 0.00 O ATOM 134 CB LYS A 9 4.211 -7.142 12.340 1.00 0.00 C ATOM 135 CG LYS A 9 4.852 -5.835 12.833 1.00 0.00 C ATOM 136 CD LYS A 9 3.844 -4.859 13.449 1.00 0.00 C ATOM 137 CE LYS A 9 4.544 -3.499 13.578 1.00 0.00 C ATOM 138 NZ LYS A 9 3.643 -2.419 14.038 1.00 0.00 N ATOM 0 H LYS A 9 4.530 -7.350 9.542 1.00 0.00 H new ATOM 0 HA LYS A 9 6.139 -8.003 11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.298 -6.917 11.788 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.924 -7.755 13.195 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.617 -6.070 13.572 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.355 -5.348 11.998 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.957 -4.776 12.821 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.512 -5.214 14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.376 -3.591 14.276 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.968 -3.223 12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.052 -1.496 13.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.715 -2.522 13.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.528 -2.479 15.070 1.00 0.00 H new ATOM 152 N PRO A 10 4.906 -10.315 12.083 1.00 0.00 N ATOM 153 CA PRO A 10 4.527 -11.712 11.892 1.00 0.00 C ATOM 154 C PRO A 10 3.083 -11.867 11.398 1.00 0.00 C ATOM 155 O PRO A 10 2.156 -11.273 11.953 1.00 0.00 O ATOM 156 CB PRO A 10 4.768 -12.393 13.242 1.00 0.00 C ATOM 157 CG PRO A 10 5.919 -11.582 13.831 1.00 0.00 C ATOM 158 CD PRO A 10 5.625 -10.165 13.344 1.00 0.00 C ATOM 0 HA PRO A 10 5.123 -12.179 11.108 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.882 -12.357 13.876 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.033 -13.444 13.123 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.937 -11.639 14.919 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.886 -11.938 13.477 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.026 -9.618 14.072 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.547 -9.602 13.203 1.00 0.00 H new ATOM 166 N GLY A 11 2.908 -12.681 10.357 1.00 0.00 N ATOM 167 CA GLY A 11 1.626 -12.977 9.739 1.00 0.00 C ATOM 168 C GLY A 11 1.250 -11.986 8.637 1.00 0.00 C ATOM 169 O GLY A 11 0.177 -12.131 8.058 1.00 0.00 O ATOM 0 H GLY A 11 3.685 -13.167 9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.654 -13.983 9.321 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.850 -12.972 10.505 1.00 0.00 H new ATOM 173 N ASP A 12 2.063 -10.968 8.340 1.00 0.00 N ATOM 174 CA ASP A 12 1.724 -10.004 7.292 1.00 0.00 C ATOM 175 C ASP A 12 1.865 -10.634 5.910 1.00 0.00 C ATOM 176 O ASP A 12 2.788 -11.418 5.671 1.00 0.00 O ATOM 177 CB ASP A 12 2.588 -8.743 7.382 1.00 0.00 C ATOM 178 CG ASP A 12 2.105 -7.745 8.442 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.923 -7.814 8.861 1.00 0.00 O ATOM 180 OD2 ASP A 12 2.885 -6.828 8.782 1.00 0.00 O ATOM 0 H ASP A 12 2.953 -10.792 8.806 1.00 0.00 H new ATOM 0 HA ASP A 12 0.685 -9.714 7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.615 -9.031 7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.601 -8.251 6.410 1.00 0.00 H new ATOM 185 N LEU A 13 0.969 -10.255 4.992 1.00 0.00 N ATOM 186 CA LEU A 13 1.061 -10.623 3.585 1.00 0.00 C ATOM 187 C LEU A 13 2.212 -9.824 2.982 1.00 0.00 C ATOM 188 O LEU A 13 2.258 -8.597 3.104 1.00 0.00 O ATOM 189 CB LEU A 13 -0.220 -10.295 2.782 1.00 0.00 C ATOM 190 CG LEU A 13 -1.480 -11.185 2.912 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.294 -11.125 1.613 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.138 -12.644 3.221 1.00 0.00 C ATOM 0 H LEU A 13 0.156 -9.680 5.212 1.00 0.00 H new ATOM 0 HA LEU A 13 1.210 -11.701 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.515 -9.280 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.056 -10.281 1.728 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.061 -10.796 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.180 -11.753 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.598 -10.096 1.421 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.684 -11.483 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.057 -13.224 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.522 -13.051 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.591 -12.698 4.162 1.00 0.00 H new ATOM 204 N ILE A 14 3.087 -10.512 2.264 1.00 0.00 N ATOM 205 CA ILE A 14 4.178 -9.947 1.495 1.00 0.00 C ATOM 206 C ILE A 14 3.868 -10.257 0.033 1.00 0.00 C ATOM 207 O ILE A 14 3.357 -11.334 -0.287 1.00 0.00 O ATOM 208 CB ILE A 14 5.515 -10.592 1.939 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.832 -10.381 3.437 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.697 -10.136 1.064 1.00 0.00 C ATOM 211 CD1 ILE A 14 6.024 -8.923 3.873 1.00 0.00 C ATOM 0 H ILE A 14 3.051 -11.529 2.201 1.00 0.00 H new ATOM 0 HA ILE A 14 4.277 -8.872 1.645 1.00 0.00 H new ATOM 0 HB ILE A 14 5.376 -11.663 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.024 -10.814 4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.737 -10.937 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.613 -10.613 1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.512 -10.418 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.804 -9.053 1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.242 -8.888 4.940 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.854 -8.484 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.113 -8.360 3.670 1.00 0.00 H new ATOM 223 N GLU A 15 4.226 -9.342 -0.861 1.00 0.00 N ATOM 224 CA GLU A 15 4.238 -9.615 -2.283 1.00 0.00 C ATOM 225 C GLU A 15 5.663 -9.354 -2.754 1.00 0.00 C ATOM 226 O GLU A 15 6.338 -8.443 -2.273 1.00 0.00 O ATOM 227 CB GLU A 15 3.175 -8.809 -3.039 1.00 0.00 C ATOM 228 CG GLU A 15 3.584 -7.355 -3.280 1.00 0.00 C ATOM 229 CD GLU A 15 2.493 -6.532 -3.968 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.920 -6.998 -4.977 1.00 0.00 O ATOM 231 OE2 GLU A 15 2.268 -5.381 -3.530 1.00 0.00 O ATOM 0 H GLU A 15 4.514 -8.395 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 15 3.965 -10.649 -2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.978 -9.288 -3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.243 -8.829 -2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.834 -6.891 -2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.487 -7.334 -3.891 1.00 0.00 H new ATOM 238 N ILE A 16 6.107 -10.168 -3.696 1.00 0.00 N ATOM 239 CA ILE A 16 7.455 -10.234 -4.210 1.00 0.00 C ATOM 240 C ILE A 16 7.304 -9.856 -5.674 1.00 0.00 C ATOM 241 O ILE A 16 6.610 -10.549 -6.417 1.00 0.00 O ATOM 242 CB ILE A 16 7.985 -11.677 -4.063 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.859 -12.291 -2.649 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.422 -11.787 -4.593 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.731 -11.625 -1.582 1.00 0.00 C ATOM 0 H ILE A 16 5.491 -10.843 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 16 8.157 -9.583 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 16 7.320 -12.283 -4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.817 -12.234 -2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.118 -13.348 -2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.774 -12.812 -4.479 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.443 -11.511 -5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.070 -11.116 -4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.577 -12.122 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.780 -11.705 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.458 -10.573 -1.494 1.00 0.00 H new ATOM 257 N PHE A 17 7.908 -8.757 -6.098 1.00 0.00 N ATOM 258 CA PHE A 17 7.988 -8.463 -7.525 1.00 0.00 C ATOM 259 C PHE A 17 9.027 -9.399 -8.145 1.00 0.00 C ATOM 260 O PHE A 17 10.089 -9.632 -7.561 1.00 0.00 O ATOM 261 CB PHE A 17 8.315 -6.980 -7.750 1.00 0.00 C ATOM 262 CG PHE A 17 7.160 -5.985 -7.635 1.00 0.00 C ATOM 263 CD1 PHE A 17 5.849 -6.370 -7.269 1.00 0.00 C ATOM 264 CD2 PHE A 17 7.405 -4.638 -7.971 1.00 0.00 C ATOM 265 CE1 PHE A 17 4.799 -5.435 -7.293 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.362 -3.695 -7.957 1.00 0.00 C ATOM 267 CZ PHE A 17 5.054 -4.095 -7.629 1.00 0.00 C ATOM 0 H PHE A 17 8.343 -8.064 -5.490 1.00 0.00 H new ATOM 0 HA PHE A 17 7.029 -8.638 -8.013 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.083 -6.691 -7.033 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.752 -6.877 -8.743 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.653 -7.389 -6.969 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.403 -4.327 -8.242 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.794 -5.748 -7.052 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.566 -2.662 -8.198 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.249 -3.375 -7.635 1.00 0.00 H new ATOM 277 N ARG A 18 8.727 -9.939 -9.328 1.00 0.00 N ATOM 278 CA ARG A 18 9.606 -10.802 -10.110 1.00 0.00 C ATOM 279 C ARG A 18 9.908 -10.084 -11.435 1.00 0.00 C ATOM 280 O ARG A 18 9.221 -9.111 -11.752 1.00 0.00 O ATOM 281 CB ARG A 18 8.877 -12.145 -10.313 1.00 0.00 C ATOM 282 CG ARG A 18 8.725 -12.969 -9.018 1.00 0.00 C ATOM 283 CD ARG A 18 9.648 -14.192 -9.035 1.00 0.00 C ATOM 284 NE ARG A 18 9.791 -14.789 -7.697 1.00 0.00 N ATOM 285 CZ ARG A 18 8.987 -15.691 -7.123 1.00 0.00 C ATOM 286 NH1 ARG A 18 8.039 -16.308 -7.822 1.00 0.00 N ATOM 287 NH2 ARG A 18 9.132 -15.956 -5.828 1.00 0.00 N ATOM 0 H ARG A 18 7.828 -9.779 -9.783 1.00 0.00 H new ATOM 0 HA ARG A 18 10.556 -11.005 -9.615 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.888 -11.952 -10.729 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.422 -12.737 -11.048 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.958 -12.345 -8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.690 -13.292 -8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.251 -14.937 -9.725 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.629 -13.901 -9.410 1.00 0.00 H new ATOM 0 HE ARG A 18 10.592 -14.481 -7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.916 -16.096 -8.812 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.435 -16.993 -7.368 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.849 -15.474 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.526 -16.641 -5.377 1.00 0.00 H new ATOM 301 N PRO A 19 10.895 -10.535 -12.233 1.00 0.00 N ATOM 302 CA PRO A 19 11.324 -9.834 -13.447 1.00 0.00 C ATOM 303 C PRO A 19 10.214 -9.514 -14.461 1.00 0.00 C ATOM 304 O PRO A 19 10.364 -8.566 -15.235 1.00 0.00 O ATOM 305 CB PRO A 19 12.414 -10.713 -14.068 1.00 0.00 C ATOM 306 CG PRO A 19 13.008 -11.435 -12.862 1.00 0.00 C ATOM 307 CD PRO A 19 11.790 -11.655 -11.967 1.00 0.00 C ATOM 0 HA PRO A 19 11.680 -8.842 -13.168 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.001 -11.414 -14.794 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.163 -10.117 -14.590 1.00 0.00 H new ATOM 0 HG2 PRO A 19 13.477 -12.377 -13.145 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.771 -10.835 -12.367 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.305 -12.605 -12.192 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.077 -11.685 -10.916 1.00 0.00 H new ATOM 315 N PHE A 20 9.111 -10.275 -14.466 1.00 0.00 N ATOM 316 CA PHE A 20 7.987 -10.090 -15.388 1.00 0.00 C ATOM 317 C PHE A 20 6.615 -10.318 -14.726 1.00 0.00 C ATOM 318 O PHE A 20 5.600 -10.304 -15.426 1.00 0.00 O ATOM 319 CB PHE A 20 8.186 -11.013 -16.606 1.00 0.00 C ATOM 320 CG PHE A 20 8.166 -12.503 -16.298 1.00 0.00 C ATOM 321 CD1 PHE A 20 9.359 -13.174 -15.958 1.00 0.00 C ATOM 322 CD2 PHE A 20 6.956 -13.224 -16.349 1.00 0.00 C ATOM 323 CE1 PHE A 20 9.339 -14.547 -15.657 1.00 0.00 C ATOM 324 CE2 PHE A 20 6.938 -14.599 -16.048 1.00 0.00 C ATOM 325 CZ PHE A 20 8.128 -15.260 -15.701 1.00 0.00 C ATOM 0 H PHE A 20 8.975 -11.050 -13.817 1.00 0.00 H new ATOM 0 HA PHE A 20 7.981 -9.048 -15.708 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.406 -10.798 -17.336 1.00 0.00 H new ATOM 0 HB3 PHE A 20 9.138 -10.768 -17.076 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.292 -12.631 -15.929 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.040 -12.720 -16.620 1.00 0.00 H new ATOM 0 HE1 PHE A 20 10.255 -15.055 -15.392 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.008 -15.147 -16.084 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.113 -16.315 -15.468 1.00 0.00 H new ATOM 335 N TYR A 21 6.556 -10.553 -13.408 1.00 0.00 N ATOM 336 CA TYR A 21 5.326 -10.904 -12.693 1.00 0.00 C ATOM 337 C TYR A 21 5.470 -10.580 -11.201 1.00 0.00 C ATOM 338 O TYR A 21 6.287 -9.736 -10.825 1.00 0.00 O ATOM 339 CB TYR A 21 4.912 -12.368 -12.968 1.00 0.00 C ATOM 340 CG TYR A 21 5.710 -13.471 -12.290 1.00 0.00 C ATOM 341 CD1 TYR A 21 7.050 -13.703 -12.653 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.088 -14.318 -11.349 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.744 -14.812 -12.140 1.00 0.00 C ATOM 344 CE2 TYR A 21 5.787 -15.407 -10.801 1.00 0.00 C ATOM 345 CZ TYR A 21 7.109 -15.676 -11.219 1.00 0.00 C ATOM 346 OH TYR A 21 7.769 -16.753 -10.706 1.00 0.00 O ATOM 0 H TYR A 21 7.375 -10.503 -12.802 1.00 0.00 H new ATOM 0 HA TYR A 21 4.506 -10.293 -13.071 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.868 -12.481 -12.675 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.960 -12.533 -14.044 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.548 -13.025 -13.330 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.068 -14.128 -11.048 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.761 -15.004 -12.449 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.314 -16.037 -10.062 1.00 0.00 H new ATOM 0 HH TYR A 21 8.677 -16.786 -11.073 1.00 0.00 H new ATOM 356 N ARG A 22 4.671 -11.211 -10.341 1.00 0.00 N ATOM 357 CA ARG A 22 4.545 -10.897 -8.925 1.00 0.00 C ATOM 358 C ARG A 22 4.116 -12.185 -8.230 1.00 0.00 C ATOM 359 O ARG A 22 3.312 -12.936 -8.775 1.00 0.00 O ATOM 360 CB ARG A 22 3.527 -9.745 -8.787 1.00 0.00 C ATOM 361 CG ARG A 22 3.180 -9.283 -7.358 1.00 0.00 C ATOM 362 CD ARG A 22 1.944 -9.972 -6.759 1.00 0.00 C ATOM 363 NE ARG A 22 0.741 -9.824 -7.607 1.00 0.00 N ATOM 364 CZ ARG A 22 -0.098 -8.776 -7.643 1.00 0.00 C ATOM 365 NH1 ARG A 22 0.067 -7.721 -6.851 1.00 0.00 N ATOM 366 NH2 ARG A 22 -1.123 -8.795 -8.490 1.00 0.00 N ATOM 0 H ARG A 22 4.072 -11.985 -10.627 1.00 0.00 H new ATOM 0 HA ARG A 22 5.471 -10.557 -8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.912 -8.886 -9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.603 -10.049 -9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.036 -9.469 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.014 -8.206 -7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.156 -11.032 -6.618 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.742 -9.554 -5.773 1.00 0.00 H new ATOM 0 HE ARG A 22 0.526 -10.601 -8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.847 -7.693 -6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.586 -6.939 -6.900 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.264 -9.599 -9.102 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.768 -8.006 -8.528 1.00 0.00 H new ATOM 380 N HIS A 23 4.644 -12.444 -7.042 1.00 0.00 N ATOM 381 CA HIS A 23 4.425 -13.661 -6.266 1.00 0.00 C ATOM 382 C HIS A 23 3.971 -13.243 -4.870 1.00 0.00 C ATOM 383 O HIS A 23 4.130 -12.075 -4.503 1.00 0.00 O ATOM 384 CB HIS A 23 5.746 -14.439 -6.259 1.00 0.00 C ATOM 385 CG HIS A 23 5.710 -15.835 -5.692 1.00 0.00 C ATOM 386 ND1 HIS A 23 5.496 -16.992 -6.444 1.00 0.00 N ATOM 387 CD2 HIS A 23 6.132 -16.191 -4.444 1.00 0.00 C ATOM 388 CE1 HIS A 23 5.754 -18.019 -5.618 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.155 -17.567 -4.420 1.00 0.00 N ATOM 0 H HIS A 23 5.263 -11.785 -6.571 1.00 0.00 H new ATOM 0 HA HIS A 23 3.654 -14.308 -6.684 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.111 -14.498 -7.284 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.477 -13.861 -5.693 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.396 -15.525 -3.636 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.653 -19.062 -5.881 1.00 0.00 H new ATOM 0 HE2 HIS A 23 6.430 -18.145 -3.626 1.00 0.00 H new ATOM 397 N TRP A 24 3.428 -14.167 -4.078 1.00 0.00 N ATOM 398 CA TRP A 24 2.867 -13.855 -2.766 1.00 0.00 C ATOM 399 C TRP A 24 3.445 -14.790 -1.718 1.00 0.00 C ATOM 400 O TRP A 24 3.731 -15.957 -1.996 1.00 0.00 O ATOM 401 CB TRP A 24 1.339 -13.936 -2.798 1.00 0.00 C ATOM 402 CG TRP A 24 0.666 -12.805 -3.498 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.359 -12.729 -4.811 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.233 -11.543 -2.917 1.00 0.00 C ATOM 405 NE1 TRP A 24 -0.237 -11.513 -5.077 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.325 -10.729 -3.945 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.276 -11.009 -1.615 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.798 -9.432 -3.693 1.00 0.00 C ATOM 409 CZ3 TRP A 24 -0.201 -9.713 -1.348 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.728 -8.922 -2.384 1.00 0.00 C ATOM 0 H TRP A 24 3.365 -15.154 -4.329 1.00 0.00 H new ATOM 0 HA TRP A 24 3.138 -12.833 -2.501 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.049 -14.868 -3.282 1.00 0.00 H new ATOM 0 HB3 TRP A 24 0.970 -13.981 -1.773 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.551 -13.502 -5.541 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.571 -11.229 -5.998 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.681 -11.603 -0.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.210 -8.834 -4.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.162 -9.323 -0.342 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.079 -7.922 -2.175 1.00 0.00 H new ATOM 421 N ALA A 25 3.616 -14.250 -0.514 1.00 0.00 N ATOM 422 CA ALA A 25 4.332 -14.849 0.592 1.00 0.00 C ATOM 423 C ALA A 25 3.766 -14.286 1.901 1.00 0.00 C ATOM 424 O ALA A 25 3.000 -13.320 1.879 1.00 0.00 O ATOM 425 CB ALA A 25 5.813 -14.481 0.426 1.00 0.00 C ATOM 0 H ALA A 25 3.235 -13.333 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 25 4.225 -15.934 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.390 -14.915 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.180 -14.870 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.922 -13.397 0.441 1.00 0.00 H new ATOM 431 N ILE A 26 4.137 -14.850 3.048 1.00 0.00 N ATOM 432 CA ILE A 26 3.637 -14.415 4.347 1.00 0.00 C ATOM 433 C ILE A 26 4.770 -14.445 5.365 1.00 0.00 C ATOM 434 O ILE A 26 5.486 -15.440 5.473 1.00 0.00 O ATOM 435 CB ILE A 26 2.416 -15.275 4.706 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.635 -14.722 5.906 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.704 -16.776 4.833 1.00 0.00 C ATOM 438 CD1 ILE A 26 0.255 -15.375 5.988 1.00 0.00 C ATOM 0 H ILE A 26 4.797 -15.626 3.101 1.00 0.00 H new ATOM 0 HA ILE A 26 3.293 -13.381 4.334 1.00 0.00 H new ATOM 0 HB ILE A 26 1.763 -15.194 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.189 -14.909 6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.528 -13.641 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.784 -17.303 5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.088 -17.154 3.885 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.445 -16.939 5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.287 -14.973 6.844 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.302 -15.165 5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.369 -16.453 6.104 1.00 0.00 H new ATOM 450 N TYR A 27 4.974 -13.317 6.043 1.00 0.00 N ATOM 451 CA TYR A 27 6.117 -13.054 6.902 1.00 0.00 C ATOM 452 C TYR A 27 6.006 -13.873 8.184 1.00 0.00 C ATOM 453 O TYR A 27 4.962 -13.867 8.839 1.00 0.00 O ATOM 454 CB TYR A 27 6.149 -11.550 7.189 1.00 0.00 C ATOM 455 CG TYR A 27 7.388 -11.043 7.898 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.608 -10.929 7.207 1.00 0.00 C ATOM 457 CD2 TYR A 27 7.300 -10.612 9.231 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.720 -10.334 7.830 1.00 0.00 C ATOM 459 CE2 TYR A 27 8.403 -10.017 9.866 1.00 0.00 C ATOM 460 CZ TYR A 27 9.619 -9.861 9.161 1.00 0.00 C ATOM 461 OH TYR A 27 10.696 -9.279 9.753 1.00 0.00 O ATOM 0 H TYR A 27 4.321 -12.535 6.005 1.00 0.00 H new ATOM 0 HA TYR A 27 7.048 -13.347 6.417 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.050 -11.016 6.244 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.278 -11.295 7.792 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.691 -11.299 6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.375 -10.739 9.774 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.652 -10.238 7.293 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.323 -9.680 10.889 1.00 0.00 H new ATOM 0 HH TYR A 27 10.715 -9.516 10.704 1.00 0.00 H new ATOM 471 N VAL A 28 7.088 -14.544 8.560 1.00 0.00 N ATOM 472 CA VAL A 28 7.189 -15.381 9.755 1.00 0.00 C ATOM 473 C VAL A 28 8.607 -15.252 10.334 1.00 0.00 C ATOM 474 O VAL A 28 9.514 -14.743 9.670 1.00 0.00 O ATOM 475 CB VAL A 28 6.824 -16.853 9.425 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.343 -17.036 9.058 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.672 -17.454 8.294 1.00 0.00 C ATOM 0 H VAL A 28 7.954 -14.521 8.022 1.00 0.00 H new ATOM 0 HA VAL A 28 6.476 -15.044 10.508 1.00 0.00 H new ATOM 0 HB VAL A 28 7.038 -17.385 10.352 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.150 -18.086 8.838 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.719 -16.720 9.894 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.108 -16.432 8.181 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.364 -18.484 8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.531 -16.871 7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.724 -17.434 8.578 1.00 0.00 H new ATOM 487 N GLY A 29 8.821 -15.717 11.570 1.00 0.00 N ATOM 488 CA GLY A 29 10.147 -15.805 12.190 1.00 0.00 C ATOM 489 C GLY A 29 10.901 -14.472 12.256 1.00 0.00 C ATOM 490 O GLY A 29 12.128 -14.475 12.351 1.00 0.00 O ATOM 0 H GLY A 29 8.069 -16.047 12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.037 -16.198 13.201 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.749 -16.523 11.633 1.00 0.00 H new ATOM 494 N ASP A 30 10.177 -13.348 12.181 1.00 0.00 N ATOM 495 CA ASP A 30 10.686 -11.984 12.037 1.00 0.00 C ATOM 496 C ASP A 30 11.890 -11.875 11.083 1.00 0.00 C ATOM 497 O ASP A 30 12.944 -11.332 11.431 1.00 0.00 O ATOM 498 CB ASP A 30 10.934 -11.344 13.407 1.00 0.00 C ATOM 499 CG ASP A 30 11.245 -9.838 13.281 1.00 0.00 C ATOM 500 OD1 ASP A 30 10.632 -9.154 12.429 1.00 0.00 O ATOM 501 OD2 ASP A 30 12.071 -9.324 14.072 1.00 0.00 O ATOM 0 H ASP A 30 9.158 -13.372 12.222 1.00 0.00 H new ATOM 0 HA ASP A 30 9.905 -11.402 11.548 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.057 -11.484 14.039 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.765 -11.848 13.900 1.00 0.00 H new ATOM 506 N GLY A 31 11.750 -12.441 9.880 1.00 0.00 N ATOM 507 CA GLY A 31 12.750 -12.317 8.820 1.00 0.00 C ATOM 508 C GLY A 31 12.591 -13.350 7.708 1.00 0.00 C ATOM 509 O GLY A 31 13.222 -13.226 6.658 1.00 0.00 O ATOM 0 H GLY A 31 10.938 -12.999 9.616 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.688 -11.318 8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.744 -12.415 9.256 1.00 0.00 H new ATOM 513 N TYR A 32 11.757 -14.365 7.915 1.00 0.00 N ATOM 514 CA TYR A 32 11.494 -15.425 6.961 1.00 0.00 C ATOM 515 C TYR A 32 10.133 -15.184 6.321 1.00 0.00 C ATOM 516 O TYR A 32 9.349 -14.342 6.763 1.00 0.00 O ATOM 517 CB TYR A 32 11.551 -16.779 7.685 1.00 0.00 C ATOM 518 CG TYR A 32 12.954 -17.210 8.057 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.578 -16.695 9.212 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.642 -18.120 7.232 1.00 0.00 C ATOM 521 CE1 TYR A 32 14.893 -17.076 9.531 1.00 0.00 C ATOM 522 CE2 TYR A 32 14.957 -18.503 7.544 1.00 0.00 C ATOM 523 CZ TYR A 32 15.591 -17.979 8.695 1.00 0.00 C ATOM 524 OH TYR A 32 16.869 -18.355 8.987 1.00 0.00 O ATOM 0 H TYR A 32 11.231 -14.471 8.782 1.00 0.00 H new ATOM 0 HA TYR A 32 12.246 -15.434 6.172 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.945 -16.723 8.590 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.103 -17.541 7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.045 -16.007 9.852 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.157 -18.525 6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.371 -16.679 10.415 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.484 -19.197 6.906 1.00 0.00 H new ATOM 0 HH TYR A 32 17.190 -18.981 8.304 1.00 0.00 H new ATOM 534 N VAL A 33 9.835 -15.960 5.289 1.00 0.00 N ATOM 535 CA VAL A 33 8.520 -16.014 4.686 1.00 0.00 C ATOM 536 C VAL A 33 8.169 -17.454 4.355 1.00 0.00 C ATOM 537 O VAL A 33 9.045 -18.255 4.029 1.00 0.00 O ATOM 538 CB VAL A 33 8.442 -15.164 3.401 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.328 -13.667 3.691 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.599 -15.410 2.418 1.00 0.00 C ATOM 0 H VAL A 33 10.514 -16.578 4.843 1.00 0.00 H new ATOM 0 HA VAL A 33 7.810 -15.606 5.405 1.00 0.00 H new ATOM 0 HB VAL A 33 7.525 -15.502 2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.277 -13.117 2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.426 -13.477 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.200 -13.338 4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.472 -14.776 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.546 -15.173 2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.600 -16.456 2.112 1.00 0.00 H new ATOM 550 N VAL A 34 6.878 -17.761 4.414 1.00 0.00 N ATOM 551 CA VAL A 34 6.298 -18.968 3.859 1.00 0.00 C ATOM 552 C VAL A 34 5.748 -18.533 2.502 1.00 0.00 C ATOM 553 O VAL A 34 5.157 -17.455 2.399 1.00 0.00 O ATOM 554 CB VAL A 34 5.230 -19.510 4.827 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.204 -20.441 4.167 1.00 0.00 C ATOM 556 CG2 VAL A 34 5.935 -20.237 5.975 1.00 0.00 C ATOM 0 H VAL A 34 6.190 -17.156 4.863 1.00 0.00 H new ATOM 0 HA VAL A 34 7.000 -19.791 3.727 1.00 0.00 H new ATOM 0 HB VAL A 34 4.660 -18.654 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.487 -20.780 4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.679 -19.903 3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.717 -21.303 3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.191 -20.627 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.526 -21.061 5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.591 -19.541 6.498 1.00 0.00 H new ATOM 566 N HIS A 35 5.957 -19.323 1.451 1.00 0.00 N ATOM 567 CA HIS A 35 5.481 -18.991 0.108 1.00 0.00 C ATOM 568 C HIS A 35 5.416 -20.237 -0.774 1.00 0.00 C ATOM 569 O HIS A 35 5.881 -21.308 -0.370 1.00 0.00 O ATOM 570 CB HIS A 35 6.370 -17.900 -0.516 1.00 0.00 C ATOM 571 CG HIS A 35 7.712 -18.331 -1.064 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.292 -17.791 -2.216 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.569 -19.248 -0.521 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.478 -18.408 -2.345 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.670 -19.280 -1.345 1.00 0.00 N ATOM 0 H HIS A 35 6.459 -20.209 1.505 1.00 0.00 H new ATOM 0 HA HIS A 35 4.467 -18.598 0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.810 -17.430 -1.325 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.544 -17.133 0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.413 -19.830 0.375 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.181 -18.227 -3.145 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.494 -19.868 -1.217 1.00 0.00 H new ATOM 583 N LEU A 36 4.836 -20.105 -1.972 1.00 0.00 N ATOM 584 CA LEU A 36 4.815 -21.197 -2.941 1.00 0.00 C ATOM 585 C LEU A 36 6.197 -21.308 -3.587 1.00 0.00 C ATOM 586 O LEU A 36 6.899 -20.312 -3.762 1.00 0.00 O ATOM 587 CB LEU A 36 3.742 -21.004 -4.039 1.00 0.00 C ATOM 588 CG LEU A 36 2.276 -21.323 -3.674 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.090 -22.755 -3.162 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.746 -20.336 -2.638 1.00 0.00 C ATOM 0 H LEU A 36 4.376 -19.252 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 36 4.559 -22.111 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.787 -19.967 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.018 -21.625 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 36 1.705 -21.226 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.040 -22.922 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.402 -23.460 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.695 -22.903 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.712 -20.582 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.353 -20.396 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.794 -19.324 -3.041 1.00 0.00 H new ATOM 602 N ALA A 37 6.543 -22.521 -4.001 1.00 0.00 N ATOM 603 CA ALA A 37 7.786 -22.916 -4.641 1.00 0.00 C ATOM 604 C ALA A 37 7.444 -23.951 -5.727 1.00 0.00 C ATOM 605 O ALA A 37 6.374 -24.569 -5.653 1.00 0.00 O ATOM 606 CB ALA A 37 8.704 -23.517 -3.567 1.00 0.00 C ATOM 0 H ALA A 37 5.911 -23.313 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 37 8.297 -22.072 -5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.646 -23.822 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.899 -22.771 -2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.220 -24.385 -3.119 1.00 0.00 H new ATOM 612 N PRO A 38 8.300 -24.153 -6.744 1.00 0.00 N ATOM 613 CA PRO A 38 8.018 -25.104 -7.813 1.00 0.00 C ATOM 614 C PRO A 38 7.933 -26.542 -7.263 1.00 0.00 C ATOM 615 O PRO A 38 8.556 -26.853 -6.245 1.00 0.00 O ATOM 616 CB PRO A 38 9.142 -24.926 -8.841 1.00 0.00 C ATOM 617 CG PRO A 38 10.286 -24.323 -8.028 1.00 0.00 C ATOM 618 CD PRO A 38 9.566 -23.476 -6.982 1.00 0.00 C ATOM 0 HA PRO A 38 7.050 -24.921 -8.279 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.428 -25.877 -9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.839 -24.268 -9.655 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.902 -25.095 -7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.946 -23.718 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.151 -23.402 -6.065 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.407 -22.459 -7.341 1.00 0.00 H new ATOM 626 N PRO A 39 7.189 -27.438 -7.937 1.00 0.00 N ATOM 627 CA PRO A 39 7.038 -28.826 -7.509 1.00 0.00 C ATOM 628 C PRO A 39 8.314 -29.645 -7.773 1.00 0.00 C ATOM 629 O PRO A 39 8.514 -30.700 -7.170 1.00 0.00 O ATOM 630 CB PRO A 39 5.855 -29.352 -8.329 1.00 0.00 C ATOM 631 CG PRO A 39 5.961 -28.572 -9.641 1.00 0.00 C ATOM 632 CD PRO A 39 6.484 -27.208 -9.192 1.00 0.00 C ATOM 0 HA PRO A 39 6.866 -28.907 -6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.926 -30.427 -8.493 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.905 -29.168 -7.828 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.642 -29.054 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.995 -28.489 -10.140 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.151 -26.781 -9.941 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.665 -26.502 -9.055 1.00 0.00 H new ATOM 640 N SER A 40 9.148 -29.176 -8.701 1.00 0.00 N ATOM 641 CA SER A 40 10.323 -29.836 -9.230 1.00 0.00 C ATOM 642 C SER A 40 11.430 -30.012 -8.179 1.00 0.00 C ATOM 643 O SER A 40 11.450 -29.330 -7.150 1.00 0.00 O ATOM 644 CB SER A 40 10.834 -28.979 -10.394 1.00 0.00 C ATOM 645 OG SER A 40 9.805 -28.267 -11.065 1.00 0.00 O ATOM 0 H SER A 40 9.003 -28.261 -9.127 1.00 0.00 H new ATOM 0 HA SER A 40 10.053 -30.841 -9.554 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.570 -28.269 -10.017 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.348 -29.621 -11.110 1.00 0.00 H new ATOM 0 HG SER A 40 10.203 -27.662 -11.725 1.00 0.00 H new ATOM 651 N GLU A 41 12.402 -30.876 -8.476 1.00 0.00 N ATOM 652 CA GLU A 41 13.645 -31.039 -7.733 1.00 0.00 C ATOM 653 C GLU A 41 14.702 -31.514 -8.740 1.00 0.00 C ATOM 654 O GLU A 41 14.350 -31.982 -9.826 1.00 0.00 O ATOM 655 CB GLU A 41 13.427 -32.035 -6.577 1.00 0.00 C ATOM 656 CG GLU A 41 14.611 -32.104 -5.600 1.00 0.00 C ATOM 657 CD GLU A 41 14.255 -32.880 -4.318 1.00 0.00 C ATOM 658 OE1 GLU A 41 13.628 -32.298 -3.403 1.00 0.00 O ATOM 659 OE2 GLU A 41 14.628 -34.067 -4.191 1.00 0.00 O ATOM 0 H GLU A 41 12.338 -31.506 -9.275 1.00 0.00 H new ATOM 0 HA GLU A 41 13.982 -30.109 -7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.529 -31.752 -6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.249 -33.027 -6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.459 -32.583 -6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.924 -31.093 -5.337 1.00 0.00 H new ATOM 666 N VAL A 42 15.989 -31.404 -8.395 1.00 0.00 N ATOM 667 CA VAL A 42 17.128 -31.816 -9.226 1.00 0.00 C ATOM 668 C VAL A 42 16.984 -33.250 -9.758 1.00 0.00 C ATOM 669 O VAL A 42 17.484 -33.549 -10.845 1.00 0.00 O ATOM 670 CB VAL A 42 18.456 -31.635 -8.445 1.00 0.00 C ATOM 671 CG1 VAL A 42 19.676 -31.671 -9.379 1.00 0.00 C ATOM 672 CG2 VAL A 42 18.523 -30.315 -7.657 1.00 0.00 C ATOM 0 H VAL A 42 16.278 -31.012 -7.499 1.00 0.00 H new ATOM 0 HA VAL A 42 17.144 -31.167 -10.101 1.00 0.00 H new ATOM 0 HB VAL A 42 18.478 -32.472 -7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 42 20.586 -31.541 -8.794 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.711 -32.630 -9.895 1.00 0.00 H new ATOM 0 HG13 VAL A 42 19.597 -30.867 -10.111 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.477 -30.252 -7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.430 -29.475 -8.346 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.709 -30.282 -6.933 1.00 0.00 H new ATOM 682 N ALA A 43 16.298 -34.129 -9.025 1.00 0.00 N ATOM 683 CA ALA A 43 16.045 -35.505 -9.410 1.00 0.00 C ATOM 684 C ALA A 43 14.719 -35.958 -8.795 1.00 0.00 C ATOM 685 O ALA A 43 14.238 -35.355 -7.831 1.00 0.00 O ATOM 686 CB ALA A 43 17.210 -36.370 -8.916 1.00 0.00 C ATOM 0 H ALA A 43 15.894 -33.888 -8.120 1.00 0.00 H new ATOM 0 HA ALA A 43 15.971 -35.601 -10.493 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.037 -37.409 -9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 43 18.139 -36.022 -9.368 1.00 0.00 H new ATOM 0 HB3 ALA A 43 17.284 -36.295 -7.831 1.00 0.00 H new ATOM 692 N GLY A 44 14.146 -37.039 -9.325 1.00 0.00 N ATOM 693 CA GLY A 44 12.950 -37.694 -8.806 1.00 0.00 C ATOM 694 C GLY A 44 11.682 -36.913 -9.143 1.00 0.00 C ATOM 695 O GLY A 44 10.911 -37.334 -10.008 1.00 0.00 O ATOM 0 H GLY A 44 14.517 -37.497 -10.157 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.878 -38.700 -9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.034 -37.800 -7.724 1.00 0.00 H new ATOM 699 N ALA A 45 11.484 -35.758 -8.500 1.00 0.00 N ATOM 700 CA ALA A 45 10.334 -34.883 -8.733 1.00 0.00 C ATOM 701 C ALA A 45 10.504 -34.021 -9.996 1.00 0.00 C ATOM 702 O ALA A 45 9.583 -33.293 -10.370 1.00 0.00 O ATOM 703 CB ALA A 45 10.108 -33.997 -7.502 1.00 0.00 C ATOM 0 H ALA A 45 12.128 -35.401 -7.794 1.00 0.00 H new ATOM 0 HA ALA A 45 9.460 -35.513 -8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.252 -33.345 -7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.916 -34.625 -6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.995 -33.390 -7.323 1.00 0.00 H new ATOM 709 N GLY A 46 11.670 -34.068 -10.640 1.00 0.00 N ATOM 710 CA GLY A 46 12.006 -33.301 -11.826 1.00 0.00 C ATOM 711 C GLY A 46 13.441 -33.618 -12.234 1.00 0.00 C ATOM 712 O GLY A 46 14.002 -34.628 -11.796 1.00 0.00 O ATOM 0 H GLY A 46 12.434 -34.669 -10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.321 -33.545 -12.638 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.898 -32.235 -11.628 1.00 0.00 H new ATOM 716 N ALA A 47 14.029 -32.743 -13.052 1.00 0.00 N ATOM 717 CA ALA A 47 15.444 -32.770 -13.425 1.00 0.00 C ATOM 718 C ALA A 47 16.136 -31.437 -13.080 1.00 0.00 C ATOM 719 O ALA A 47 17.285 -31.214 -13.465 1.00 0.00 O ATOM 720 CB ALA A 47 15.564 -33.112 -14.915 1.00 0.00 C ATOM 0 H ALA A 47 13.519 -31.974 -13.486 1.00 0.00 H new ATOM 0 HA ALA A 47 15.957 -33.541 -12.850 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.616 -33.134 -15.200 1.00 0.00 H new ATOM 0 HB2 ALA A 47 15.117 -34.089 -15.101 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.044 -32.357 -15.505 1.00 0.00 H new ATOM 726 N ALA A 48 15.431 -30.539 -12.385 1.00 0.00 N ATOM 727 CA ALA A 48 15.886 -29.244 -11.900 1.00 0.00 C ATOM 728 C ALA A 48 14.916 -28.843 -10.796 1.00 0.00 C ATOM 729 O ALA A 48 13.740 -29.197 -10.869 1.00 0.00 O ATOM 730 CB ALA A 48 15.804 -28.190 -13.013 1.00 0.00 C ATOM 0 H ALA A 48 14.459 -30.716 -12.132 1.00 0.00 H new ATOM 0 HA ALA A 48 16.919 -29.306 -11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.148 -27.229 -12.630 1.00 0.00 H new ATOM 0 HB2 ALA A 48 16.433 -28.494 -13.849 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.772 -28.097 -13.351 1.00 0.00 H new ATOM 736 N SER A 49 15.342 -28.039 -9.828 1.00 0.00 N ATOM 737 CA SER A 49 14.454 -27.483 -8.807 1.00 0.00 C ATOM 738 C SER A 49 13.714 -26.231 -9.318 1.00 0.00 C ATOM 739 O SER A 49 13.458 -25.305 -8.548 1.00 0.00 O ATOM 740 CB SER A 49 15.262 -27.235 -7.529 1.00 0.00 C ATOM 741 OG SER A 49 15.881 -28.445 -7.117 1.00 0.00 O ATOM 0 H SER A 49 16.316 -27.752 -9.727 1.00 0.00 H new ATOM 0 HA SER A 49 13.666 -28.198 -8.572 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.018 -26.470 -7.707 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.609 -26.861 -6.740 1.00 0.00 H new ATOM 0 HG SER A 49 16.399 -28.286 -6.301 1.00 0.00 H new ATOM 747 N VAL A 50 13.387 -26.181 -10.615 1.00 0.00 N ATOM 748 CA VAL A 50 12.674 -25.084 -11.268 1.00 0.00 C ATOM 749 C VAL A 50 11.671 -25.658 -12.278 1.00 0.00 C ATOM 750 O VAL A 50 11.655 -26.866 -12.527 1.00 0.00 O ATOM 751 CB VAL A 50 13.651 -24.056 -11.895 1.00 0.00 C ATOM 752 CG1 VAL A 50 14.362 -23.211 -10.829 1.00 0.00 C ATOM 753 CG2 VAL A 50 14.712 -24.697 -12.798 1.00 0.00 C ATOM 0 H VAL A 50 13.622 -26.935 -11.261 1.00 0.00 H new ATOM 0 HA VAL A 50 12.111 -24.525 -10.521 1.00 0.00 H new ATOM 0 HB VAL A 50 13.018 -23.416 -12.510 1.00 0.00 H new ATOM 0 HG11 VAL A 50 15.036 -22.505 -11.314 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.622 -22.663 -10.246 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.934 -23.864 -10.169 1.00 0.00 H new ATOM 0 HG21 VAL A 50 15.362 -23.921 -13.203 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.307 -25.401 -12.217 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.222 -25.225 -13.617 1.00 0.00 H new ATOM 763 N MET A 51 10.816 -24.811 -12.859 1.00 0.00 N ATOM 764 CA MET A 51 9.711 -25.200 -13.744 1.00 0.00 C ATOM 765 C MET A 51 10.145 -25.815 -15.090 1.00 0.00 C ATOM 766 O MET A 51 9.329 -25.915 -16.005 1.00 0.00 O ATOM 767 CB MET A 51 8.747 -24.005 -13.922 1.00 0.00 C ATOM 768 CG MET A 51 7.704 -23.942 -12.800 1.00 0.00 C ATOM 769 SD MET A 51 6.532 -25.334 -12.807 1.00 0.00 S ATOM 770 CE MET A 51 5.370 -24.782 -11.533 1.00 0.00 C ATOM 0 H MET A 51 10.875 -23.802 -12.722 1.00 0.00 H new ATOM 0 HA MET A 51 9.186 -26.018 -13.251 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.318 -23.077 -13.940 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.241 -24.086 -14.884 1.00 0.00 H new ATOM 0 HG2 MET A 51 8.219 -23.917 -11.839 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.146 -23.009 -12.887 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.583 -25.526 -11.411 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.899 -24.655 -10.588 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.928 -23.832 -11.831 1.00 0.00 H new ATOM 780 N SER A 52 11.397 -26.253 -15.249 1.00 0.00 N ATOM 781 CA SER A 52 11.798 -27.077 -16.386 1.00 0.00 C ATOM 782 C SER A 52 10.963 -28.370 -16.405 1.00 0.00 C ATOM 783 O SER A 52 10.538 -28.816 -17.471 1.00 0.00 O ATOM 784 CB SER A 52 13.294 -27.396 -16.292 1.00 0.00 C ATOM 785 OG SER A 52 14.048 -26.213 -16.077 1.00 0.00 O ATOM 0 H SER A 52 12.154 -26.047 -14.597 1.00 0.00 H new ATOM 0 HA SER A 52 11.620 -26.534 -17.314 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.470 -28.098 -15.477 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.625 -27.882 -17.210 1.00 0.00 H new ATOM 0 HG SER A 52 15.000 -26.438 -16.018 1.00 0.00 H new ATOM 791 N ALA A 53 10.653 -28.925 -15.224 1.00 0.00 N ATOM 792 CA ALA A 53 9.703 -30.021 -15.041 1.00 0.00 C ATOM 793 C ALA A 53 8.270 -29.459 -14.958 1.00 0.00 C ATOM 794 O ALA A 53 7.544 -29.715 -13.994 1.00 0.00 O ATOM 795 CB ALA A 53 10.098 -30.842 -13.807 1.00 0.00 C ATOM 0 H ALA A 53 11.071 -28.611 -14.348 1.00 0.00 H new ATOM 0 HA ALA A 53 9.729 -30.696 -15.896 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.389 -31.659 -13.671 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.099 -31.250 -13.946 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.087 -30.202 -12.925 1.00 0.00 H new ATOM 801 N LEU A 54 7.899 -28.626 -15.937 1.00 0.00 N ATOM 802 CA LEU A 54 6.637 -27.893 -15.994 1.00 0.00 C ATOM 803 C LEU A 54 5.459 -28.827 -15.710 1.00 0.00 C ATOM 804 O LEU A 54 5.218 -29.771 -16.467 1.00 0.00 O ATOM 805 CB LEU A 54 6.486 -27.213 -17.369 1.00 0.00 C ATOM 806 CG LEU A 54 5.152 -26.463 -17.557 1.00 0.00 C ATOM 807 CD1 LEU A 54 4.936 -25.361 -16.512 1.00 0.00 C ATOM 808 CD2 LEU A 54 5.112 -25.839 -18.957 1.00 0.00 C ATOM 0 H LEU A 54 8.497 -28.439 -16.742 1.00 0.00 H new ATOM 0 HA LEU A 54 6.641 -27.120 -15.225 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.308 -26.511 -17.507 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.578 -27.969 -18.149 1.00 0.00 H new ATOM 0 HG LEU A 54 4.353 -27.194 -17.431 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.981 -24.868 -16.695 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.932 -25.801 -15.515 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.741 -24.630 -16.583 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.170 -25.308 -19.092 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.941 -25.140 -19.068 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.197 -26.624 -19.708 1.00 0.00 H new ATOM 820 N THR A 55 4.725 -28.539 -14.637 1.00 0.00 N ATOM 821 CA THR A 55 3.540 -29.264 -14.212 1.00 0.00 C ATOM 822 C THR A 55 2.626 -28.229 -13.551 1.00 0.00 C ATOM 823 O THR A 55 3.102 -27.229 -13.006 1.00 0.00 O ATOM 824 CB THR A 55 3.921 -30.387 -13.219 1.00 0.00 C ATOM 825 OG1 THR A 55 5.093 -31.093 -13.597 1.00 0.00 O ATOM 826 CG2 THR A 55 2.809 -31.432 -13.066 1.00 0.00 C ATOM 0 H THR A 55 4.953 -27.761 -14.018 1.00 0.00 H new ATOM 0 HA THR A 55 3.040 -29.747 -15.052 1.00 0.00 H new ATOM 0 HB THR A 55 4.090 -29.861 -12.279 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.861 -30.484 -13.582 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.125 -32.199 -12.359 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.904 -30.949 -12.697 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.606 -31.892 -14.033 1.00 0.00 H new ATOM 834 N ASP A 56 1.317 -28.469 -13.562 1.00 0.00 N ATOM 835 CA ASP A 56 0.314 -27.612 -12.925 1.00 0.00 C ATOM 836 C ASP A 56 0.213 -27.961 -11.437 1.00 0.00 C ATOM 837 O ASP A 56 -0.830 -28.360 -10.919 1.00 0.00 O ATOM 838 CB ASP A 56 -1.020 -27.740 -13.664 1.00 0.00 C ATOM 839 CG ASP A 56 -2.164 -26.915 -13.044 1.00 0.00 C ATOM 840 OD1 ASP A 56 -1.918 -25.789 -12.557 1.00 0.00 O ATOM 841 OD2 ASP A 56 -3.331 -27.367 -13.108 1.00 0.00 O ATOM 0 H ASP A 56 0.912 -29.283 -14.024 1.00 0.00 H new ATOM 0 HA ASP A 56 0.610 -26.565 -12.988 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.881 -27.428 -14.699 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.313 -28.790 -13.684 1.00 0.00 H new ATOM 846 N LYS A 57 1.352 -27.890 -10.757 1.00 0.00 N ATOM 847 CA LYS A 57 1.527 -28.180 -9.340 1.00 0.00 C ATOM 848 C LYS A 57 2.450 -27.137 -8.740 1.00 0.00 C ATOM 849 O LYS A 57 3.179 -26.451 -9.459 1.00 0.00 O ATOM 850 CB LYS A 57 2.145 -29.575 -9.143 1.00 0.00 C ATOM 851 CG LYS A 57 1.150 -30.674 -9.495 1.00 0.00 C ATOM 852 CD LYS A 57 1.763 -32.066 -9.294 1.00 0.00 C ATOM 853 CE LYS A 57 0.785 -33.152 -9.764 1.00 0.00 C ATOM 854 NZ LYS A 57 1.325 -34.522 -9.564 1.00 0.00 N ATOM 0 H LYS A 57 2.226 -27.613 -11.205 1.00 0.00 H new ATOM 0 HA LYS A 57 0.554 -28.158 -8.849 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.034 -29.673 -9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.467 -29.690 -8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.259 -30.573 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.831 -30.561 -10.531 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.697 -32.143 -9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.005 -32.216 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.155 -33.051 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.560 -33.003 -10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.630 -35.221 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.208 -34.629 -10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.515 -34.676 -8.553 1.00 0.00 H new ATOM 868 N ALA A 58 2.451 -27.074 -7.418 1.00 0.00 N ATOM 869 CA ALA A 58 3.421 -26.311 -6.643 1.00 0.00 C ATOM 870 C ALA A 58 3.554 -26.927 -5.251 1.00 0.00 C ATOM 871 O ALA A 58 2.848 -27.874 -4.900 1.00 0.00 O ATOM 872 CB ALA A 58 3.018 -24.828 -6.594 1.00 0.00 C ATOM 0 H ALA A 58 1.765 -27.561 -6.841 1.00 0.00 H new ATOM 0 HA ALA A 58 4.399 -26.355 -7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.752 -24.271 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.979 -24.428 -7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.037 -24.733 -6.128 1.00 0.00 H new ATOM 878 N ILE A 59 4.468 -26.395 -4.449 1.00 0.00 N ATOM 879 CA ILE A 59 4.760 -26.837 -3.091 1.00 0.00 C ATOM 880 C ILE A 59 4.843 -25.582 -2.231 1.00 0.00 C ATOM 881 O ILE A 59 5.051 -24.485 -2.744 1.00 0.00 O ATOM 882 CB ILE A 59 6.046 -27.709 -3.107 1.00 0.00 C ATOM 883 CG1 ILE A 59 5.647 -29.102 -3.628 1.00 0.00 C ATOM 884 CG2 ILE A 59 6.748 -27.865 -1.745 1.00 0.00 C ATOM 885 CD1 ILE A 59 6.783 -30.127 -3.718 1.00 0.00 C ATOM 0 H ILE A 59 5.051 -25.610 -4.740 1.00 0.00 H new ATOM 0 HA ILE A 59 3.988 -27.477 -2.664 1.00 0.00 H new ATOM 0 HB ILE A 59 6.769 -27.200 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.870 -29.504 -2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.206 -28.987 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.633 -28.490 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.043 -26.884 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.065 -28.332 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.392 -31.072 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.554 -29.757 -4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.212 -30.282 -2.728 1.00 0.00 H new ATOM 897 N VAL A 60 4.670 -25.739 -0.926 1.00 0.00 N ATOM 898 CA VAL A 60 4.758 -24.645 0.035 1.00 0.00 C ATOM 899 C VAL A 60 6.092 -24.812 0.763 1.00 0.00 C ATOM 900 O VAL A 60 6.411 -25.914 1.216 1.00 0.00 O ATOM 901 CB VAL A 60 3.544 -24.712 0.980 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.597 -23.627 2.069 1.00 0.00 C ATOM 903 CG2 VAL A 60 2.200 -24.572 0.242 1.00 0.00 C ATOM 0 H VAL A 60 4.462 -26.641 -0.498 1.00 0.00 H new ATOM 0 HA VAL A 60 4.732 -23.662 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 60 3.603 -25.701 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.721 -23.713 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.499 -23.755 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.609 -22.642 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.383 -24.627 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.166 -23.612 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.099 -25.378 -0.485 1.00 0.00 H new ATOM 913 N LYS A 61 6.880 -23.742 0.896 1.00 0.00 N ATOM 914 CA LYS A 61 8.185 -23.762 1.560 1.00 0.00 C ATOM 915 C LYS A 61 8.326 -22.540 2.456 1.00 0.00 C ATOM 916 O LYS A 61 7.531 -21.605 2.361 1.00 0.00 O ATOM 917 CB LYS A 61 9.325 -23.799 0.520 1.00 0.00 C ATOM 918 CG LYS A 61 9.476 -25.194 -0.093 1.00 0.00 C ATOM 919 CD LYS A 61 10.734 -25.299 -0.966 1.00 0.00 C ATOM 920 CE LYS A 61 10.805 -26.688 -1.617 1.00 0.00 C ATOM 921 NZ LYS A 61 12.039 -26.869 -2.424 1.00 0.00 N ATOM 0 H LYS A 61 6.624 -22.822 0.539 1.00 0.00 H new ATOM 0 HA LYS A 61 8.253 -24.662 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.124 -23.073 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.262 -23.505 0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.522 -25.938 0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.596 -25.424 -0.694 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.718 -24.528 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.623 -25.126 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.765 -27.453 -0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.932 -26.834 -2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.043 -27.821 -2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.066 -26.157 -3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.873 -26.757 -1.813 1.00 0.00 H new ATOM 935 N LYS A 62 9.365 -22.543 3.292 1.00 0.00 N ATOM 936 CA LYS A 62 9.760 -21.415 4.128 1.00 0.00 C ATOM 937 C LYS A 62 11.200 -21.083 3.768 1.00 0.00 C ATOM 938 O LYS A 62 12.025 -21.994 3.682 1.00 0.00 O ATOM 939 CB LYS A 62 9.609 -21.782 5.614 1.00 0.00 C ATOM 940 CG LYS A 62 10.038 -20.660 6.576 1.00 0.00 C ATOM 941 CD LYS A 62 9.875 -21.111 8.036 1.00 0.00 C ATOM 942 CE LYS A 62 10.464 -20.070 9.000 1.00 0.00 C ATOM 943 NZ LYS A 62 10.386 -20.513 10.415 1.00 0.00 N ATOM 0 H LYS A 62 9.971 -23.355 3.408 1.00 0.00 H new ATOM 0 HA LYS A 62 9.127 -20.545 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.568 -22.039 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.202 -22.673 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.077 -20.388 6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.437 -19.769 6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.819 -21.262 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.372 -22.070 8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.505 -19.880 8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.929 -19.127 8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.927 -19.857 11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.392 -20.523 10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.784 -21.470 10.502 1.00 0.00 H new ATOM 957 N GLU A 63 11.504 -19.805 3.555 1.00 0.00 N ATOM 958 CA GLU A 63 12.807 -19.311 3.120 1.00 0.00 C ATOM 959 C GLU A 63 13.004 -17.918 3.725 1.00 0.00 C ATOM 960 O GLU A 63 12.044 -17.289 4.173 1.00 0.00 O ATOM 961 CB GLU A 63 12.882 -19.261 1.579 1.00 0.00 C ATOM 962 CG GLU A 63 12.878 -20.660 0.939 1.00 0.00 C ATOM 963 CD GLU A 63 13.143 -20.615 -0.572 1.00 0.00 C ATOM 964 OE1 GLU A 63 12.168 -20.498 -1.347 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.315 -20.746 -0.995 1.00 0.00 O ATOM 0 H GLU A 63 10.823 -19.057 3.686 1.00 0.00 H new ATOM 0 HA GLU A 63 13.599 -19.979 3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.037 -18.689 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.787 -18.732 1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.636 -21.278 1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.915 -21.137 1.122 1.00 0.00 H new ATOM 972 N LEU A 64 14.245 -17.435 3.788 1.00 0.00 N ATOM 973 CA LEU A 64 14.547 -16.113 4.332 1.00 0.00 C ATOM 974 C LEU A 64 13.998 -15.052 3.374 1.00 0.00 C ATOM 975 O LEU A 64 14.252 -15.143 2.171 1.00 0.00 O ATOM 976 CB LEU A 64 16.071 -15.973 4.495 1.00 0.00 C ATOM 977 CG LEU A 64 16.501 -14.694 5.240 1.00 0.00 C ATOM 978 CD1 LEU A 64 16.206 -14.788 6.742 1.00 0.00 C ATOM 979 CD2 LEU A 64 18.002 -14.462 5.040 1.00 0.00 C ATOM 0 H LEU A 64 15.065 -17.948 3.465 1.00 0.00 H new ATOM 0 HA LEU A 64 14.082 -15.981 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.451 -16.841 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.535 -15.981 3.509 1.00 0.00 H new ATOM 0 HG LEU A 64 15.929 -13.862 4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.523 -13.868 7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.136 -14.931 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.749 -15.632 7.167 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.304 -13.557 5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.557 -15.314 5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.214 -14.350 3.977 1.00 0.00 H new ATOM 991 N LEU A 65 13.296 -14.029 3.881 1.00 0.00 N ATOM 992 CA LEU A 65 12.670 -13.011 3.034 1.00 0.00 C ATOM 993 C LEU A 65 13.697 -12.373 2.114 1.00 0.00 C ATOM 994 O LEU A 65 13.420 -12.197 0.932 1.00 0.00 O ATOM 995 CB LEU A 65 11.951 -11.937 3.876 1.00 0.00 C ATOM 996 CG LEU A 65 11.241 -10.876 2.995 1.00 0.00 C ATOM 997 CD1 LEU A 65 9.999 -10.317 3.704 1.00 0.00 C ATOM 998 CD2 LEU A 65 12.122 -9.658 2.676 1.00 0.00 C ATOM 0 H LEU A 65 13.148 -13.887 4.880 1.00 0.00 H new ATOM 0 HA LEU A 65 11.918 -13.508 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.218 -12.417 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.674 -11.443 4.524 1.00 0.00 H new ATOM 0 HG LEU A 65 10.992 -11.405 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.519 -9.575 3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.300 -11.128 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.295 -9.850 4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.563 -8.957 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.416 -9.168 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.013 -9.984 2.140 1.00 0.00 H new ATOM 1010 N TYR A 66 14.875 -12.044 2.639 1.00 0.00 N ATOM 1011 CA TYR A 66 15.888 -11.311 1.892 1.00 0.00 C ATOM 1012 C TYR A 66 16.427 -12.113 0.700 1.00 0.00 C ATOM 1013 O TYR A 66 16.930 -11.511 -0.250 1.00 0.00 O ATOM 1014 CB TYR A 66 17.000 -10.867 2.853 1.00 0.00 C ATOM 1015 CG TYR A 66 16.468 -10.075 4.038 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.894 -8.804 3.832 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.481 -10.631 5.333 1.00 0.00 C ATOM 1018 CE1 TYR A 66 15.330 -8.096 4.908 1.00 0.00 C ATOM 1019 CE2 TYR A 66 15.921 -9.929 6.415 1.00 0.00 C ATOM 1020 CZ TYR A 66 15.339 -8.656 6.206 1.00 0.00 C ATOM 1021 OH TYR A 66 14.788 -7.962 7.241 1.00 0.00 O ATOM 0 H TYR A 66 15.152 -12.279 3.592 1.00 0.00 H new ATOM 0 HA TYR A 66 15.430 -10.423 1.456 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.532 -11.746 3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.723 -10.259 2.310 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.887 -8.372 2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 66 16.924 -11.603 5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.890 -7.124 4.743 1.00 0.00 H new ATOM 0 HE2 TYR A 66 15.935 -10.361 7.405 1.00 0.00 H new ATOM 0 HH TYR A 66 14.873 -8.483 8.067 1.00 0.00 H new ATOM 1031 N ASP A 67 16.299 -13.447 0.706 1.00 0.00 N ATOM 1032 CA ASP A 67 16.615 -14.262 -0.464 1.00 0.00 C ATOM 1033 C ASP A 67 15.469 -14.202 -1.476 1.00 0.00 C ATOM 1034 O ASP A 67 15.710 -13.961 -2.658 1.00 0.00 O ATOM 1035 CB ASP A 67 16.882 -15.717 -0.067 1.00 0.00 C ATOM 1036 CG ASP A 67 17.218 -16.548 -1.316 1.00 0.00 C ATOM 1037 OD1 ASP A 67 18.373 -16.484 -1.793 1.00 0.00 O ATOM 1038 OD2 ASP A 67 16.338 -17.280 -1.819 1.00 0.00 O ATOM 0 H ASP A 67 15.977 -13.981 1.513 1.00 0.00 H new ATOM 0 HA ASP A 67 17.519 -13.859 -0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.707 -15.763 0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.007 -16.133 0.433 1.00 0.00 H new ATOM 1043 N VAL A 68 14.222 -14.352 -1.017 1.00 0.00 N ATOM 1044 CA VAL A 68 13.034 -14.338 -1.875 1.00 0.00 C ATOM 1045 C VAL A 68 12.885 -12.967 -2.558 1.00 0.00 C ATOM 1046 O VAL A 68 12.597 -12.896 -3.756 1.00 0.00 O ATOM 1047 CB VAL A 68 11.786 -14.740 -1.051 1.00 0.00 C ATOM 1048 CG1 VAL A 68 10.548 -14.862 -1.949 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.974 -16.109 -0.370 1.00 0.00 C ATOM 0 H VAL A 68 14.008 -14.488 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 68 13.143 -15.073 -2.672 1.00 0.00 H new ATOM 0 HB VAL A 68 11.652 -13.957 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.686 -15.145 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.353 -13.905 -2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.724 -15.623 -2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.078 -16.358 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.146 -16.872 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.831 -16.066 0.302 1.00 0.00 H new ATOM 1059 N ALA A 69 13.153 -11.876 -1.835 1.00 0.00 N ATOM 1060 CA ALA A 69 13.145 -10.513 -2.347 1.00 0.00 C ATOM 1061 C ALA A 69 14.156 -10.306 -3.482 1.00 0.00 C ATOM 1062 O ALA A 69 13.986 -9.385 -4.282 1.00 0.00 O ATOM 1063 CB ALA A 69 13.438 -9.546 -1.197 1.00 0.00 C ATOM 0 H ALA A 69 13.389 -11.925 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 69 12.158 -10.318 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.434 -8.523 -1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.674 -9.654 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.416 -9.772 -0.771 1.00 0.00 H new ATOM 1069 N GLY A 70 15.173 -11.170 -3.590 1.00 0.00 N ATOM 1070 CA GLY A 70 16.147 -11.170 -4.674 1.00 0.00 C ATOM 1071 C GLY A 70 15.515 -11.384 -6.055 1.00 0.00 C ATOM 1072 O GLY A 70 16.187 -11.150 -7.061 1.00 0.00 O ATOM 0 H GLY A 70 15.340 -11.906 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.684 -10.222 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.882 -11.954 -4.493 1.00 0.00 H new ATOM 1076 N SER A 71 14.241 -11.794 -6.117 1.00 0.00 N ATOM 1077 CA SER A 71 13.449 -11.835 -7.340 1.00 0.00 C ATOM 1078 C SER A 71 13.524 -10.495 -8.087 1.00 0.00 C ATOM 1079 O SER A 71 13.822 -10.473 -9.282 1.00 0.00 O ATOM 1080 CB SER A 71 12.002 -12.181 -6.983 1.00 0.00 C ATOM 1081 OG SER A 71 11.906 -13.423 -6.304 1.00 0.00 O ATOM 0 H SER A 71 13.726 -12.112 -5.296 1.00 0.00 H new ATOM 0 HA SER A 71 13.850 -12.600 -8.005 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.584 -11.392 -6.357 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.403 -12.218 -7.893 1.00 0.00 H new ATOM 0 HG SER A 71 11.959 -13.272 -5.337 1.00 0.00 H new ATOM 1087 N ASP A 72 13.307 -9.389 -7.372 1.00 0.00 N ATOM 1088 CA ASP A 72 13.536 -8.018 -7.813 1.00 0.00 C ATOM 1089 C ASP A 72 13.453 -7.086 -6.615 1.00 0.00 C ATOM 1090 O ASP A 72 14.429 -6.423 -6.258 1.00 0.00 O ATOM 1091 CB ASP A 72 12.493 -7.584 -8.851 1.00 0.00 C ATOM 1092 CG ASP A 72 12.738 -6.152 -9.354 1.00 0.00 C ATOM 1093 OD1 ASP A 72 13.889 -5.815 -9.713 1.00 0.00 O ATOM 1094 OD2 ASP A 72 11.763 -5.376 -9.435 1.00 0.00 O ATOM 0 H ASP A 72 12.947 -9.432 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 72 14.524 -7.969 -8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.514 -8.273 -9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.497 -7.648 -8.412 1.00 0.00 H new ATOM 1099 N LYS A 73 12.278 -7.077 -5.990 1.00 0.00 N ATOM 1100 CA LYS A 73 11.825 -6.128 -4.983 1.00 0.00 C ATOM 1101 C LYS A 73 10.660 -6.784 -4.237 1.00 0.00 C ATOM 1102 O LYS A 73 10.167 -7.828 -4.671 1.00 0.00 O ATOM 1103 CB LYS A 73 11.353 -4.858 -5.724 1.00 0.00 C ATOM 1104 CG LYS A 73 12.509 -3.941 -6.155 1.00 0.00 C ATOM 1105 CD LYS A 73 12.073 -2.544 -6.621 1.00 0.00 C ATOM 1106 CE LYS A 73 11.212 -2.603 -7.892 1.00 0.00 C ATOM 1107 NZ LYS A 73 10.981 -1.260 -8.483 1.00 0.00 N ATOM 0 H LYS A 73 11.570 -7.783 -6.190 1.00 0.00 H new ATOM 0 HA LYS A 73 12.608 -5.861 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.783 -5.151 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.676 -4.299 -5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.201 -3.832 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.058 -4.425 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.511 -2.055 -5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.956 -1.933 -6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.700 -3.242 -8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.252 -3.063 -7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.396 -1.353 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.492 -0.656 -7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.894 -0.829 -8.734 1.00 0.00 H new ATOM 1121 N TYR A 74 10.181 -6.187 -3.146 1.00 0.00 N ATOM 1122 CA TYR A 74 9.009 -6.683 -2.428 1.00 0.00 C ATOM 1123 C TYR A 74 8.309 -5.544 -1.690 1.00 0.00 C ATOM 1124 O TYR A 74 8.904 -4.482 -1.476 1.00 0.00 O ATOM 1125 CB TYR A 74 9.423 -7.786 -1.440 1.00 0.00 C ATOM 1126 CG TYR A 74 10.085 -7.276 -0.164 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.416 -6.817 -0.179 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.343 -7.204 1.034 1.00 0.00 C ATOM 1129 CE1 TYR A 74 12.008 -6.306 0.989 1.00 0.00 C ATOM 1130 CE2 TYR A 74 9.927 -6.700 2.210 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.268 -6.249 2.193 1.00 0.00 C ATOM 1132 OH TYR A 74 11.857 -5.769 3.324 1.00 0.00 O ATOM 0 H TYR A 74 10.593 -5.349 -2.737 1.00 0.00 H new ATOM 0 HA TYR A 74 8.310 -7.103 -3.152 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.540 -8.364 -1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.109 -8.468 -1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.987 -6.858 -1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.316 -7.539 1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.030 -5.956 0.967 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.353 -6.657 3.124 1.00 0.00 H new ATOM 0 HH TYR A 74 11.215 -5.795 4.064 1.00 0.00 H new ATOM 1142 N GLN A 75 7.065 -5.782 -1.274 1.00 0.00 N ATOM 1143 CA GLN A 75 6.259 -4.898 -0.448 1.00 0.00 C ATOM 1144 C GLN A 75 5.501 -5.713 0.597 1.00 0.00 C ATOM 1145 O GLN A 75 5.256 -6.904 0.390 1.00 0.00 O ATOM 1146 CB GLN A 75 5.212 -4.158 -1.296 1.00 0.00 C ATOM 1147 CG GLN A 75 5.783 -3.343 -2.457 1.00 0.00 C ATOM 1148 CD GLN A 75 6.020 -4.113 -3.752 1.00 0.00 C ATOM 1149 OE1 GLN A 75 7.143 -4.183 -4.244 1.00 0.00 O ATOM 1150 NE2 GLN A 75 4.987 -4.652 -4.371 1.00 0.00 N ATOM 0 H GLN A 75 6.572 -6.641 -1.519 1.00 0.00 H new ATOM 0 HA GLN A 75 6.934 -4.183 0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.508 -4.888 -1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.646 -3.490 -0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.103 -2.517 -2.666 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.729 -2.904 -2.138 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.056 -4.591 -3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.119 -5.130 -5.263 1.00 0.00 H new ATOM 1159 N VAL A 76 5.087 -5.070 1.689 1.00 0.00 N ATOM 1160 CA VAL A 76 4.101 -5.644 2.597 1.00 0.00 C ATOM 1161 C VAL A 76 2.762 -5.107 2.083 1.00 0.00 C ATOM 1162 O VAL A 76 2.643 -3.916 1.778 1.00 0.00 O ATOM 1163 CB VAL A 76 4.433 -5.328 4.072 1.00 0.00 C ATOM 1164 CG1 VAL A 76 4.540 -3.836 4.412 1.00 0.00 C ATOM 1165 CG2 VAL A 76 3.427 -5.993 5.018 1.00 0.00 C ATOM 0 H VAL A 76 5.423 -4.147 1.965 1.00 0.00 H new ATOM 0 HA VAL A 76 4.082 -6.734 2.601 1.00 0.00 H new ATOM 0 HB VAL A 76 5.430 -5.744 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.776 -3.720 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.329 -3.382 3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.591 -3.345 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.685 -5.754 6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.424 -5.625 4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.455 -7.074 4.878 1.00 0.00 H new ATOM 1175 N ASN A 77 1.775 -5.985 1.904 1.00 0.00 N ATOM 1176 CA ASN A 77 0.534 -5.653 1.213 1.00 0.00 C ATOM 1177 C ASN A 77 -0.597 -6.482 1.812 1.00 0.00 C ATOM 1178 O ASN A 77 -1.067 -7.454 1.218 1.00 0.00 O ATOM 1179 CB ASN A 77 0.695 -5.848 -0.307 1.00 0.00 C ATOM 1180 CG ASN A 77 -0.477 -5.263 -1.099 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.528 -4.924 -0.563 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -0.305 -5.086 -2.398 1.00 0.00 N ATOM 0 H ASN A 77 1.816 -6.949 2.236 1.00 0.00 H new ATOM 0 HA ASN A 77 0.284 -4.601 1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.622 -5.377 -0.635 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.783 -6.912 -0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.047 -4.666 -2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.570 -5.369 -2.840 1.00 0.00 H new ATOM 1189 N ASN A 78 -0.976 -6.144 3.048 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.111 -6.745 3.748 1.00 0.00 C ATOM 1191 C ASN A 78 -3.396 -6.293 3.058 1.00 0.00 C ATOM 1192 O ASN A 78 -3.952 -5.246 3.404 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.128 -6.351 5.233 1.00 0.00 C ATOM 1194 CG ASN A 78 -0.993 -6.959 6.033 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -0.627 -8.108 5.828 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -0.427 -6.229 6.974 1.00 0.00 N ATOM 0 H ASN A 78 -0.494 -5.433 3.598 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.025 -7.831 3.707 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.078 -5.265 5.313 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.077 -6.659 5.672 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.325 -6.621 7.541 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.741 -5.272 7.135 1.00 0.00 H new ATOM 1203 N LYS A 79 -3.839 -7.033 2.039 1.00 0.00 N ATOM 1204 CA LYS A 79 -4.956 -6.590 1.203 1.00 0.00 C ATOM 1205 C LYS A 79 -6.227 -6.529 2.050 1.00 0.00 C ATOM 1206 O LYS A 79 -6.651 -7.557 2.579 1.00 0.00 O ATOM 1207 CB LYS A 79 -5.126 -7.483 -0.040 1.00 0.00 C ATOM 1208 CG LYS A 79 -4.000 -7.215 -1.055 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.142 -7.952 -2.394 1.00 0.00 C ATOM 1210 CE LYS A 79 -5.416 -7.559 -3.155 1.00 0.00 C ATOM 1211 NZ LYS A 79 -5.369 -7.994 -4.571 1.00 0.00 N ATOM 0 H LYS A 79 -3.444 -7.936 1.774 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.744 -5.590 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.116 -8.532 0.255 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.094 -7.291 -0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.956 -6.144 -1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.049 -7.496 -0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.272 -7.739 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.149 -9.027 -2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.283 -8.004 -2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.546 -6.478 -3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.338 -8.124 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.885 -7.271 -5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.851 -8.893 -4.641 1.00 0.00 H new ATOM 1225 N HIS A 80 -6.826 -5.335 2.151 1.00 0.00 N ATOM 1226 CA HIS A 80 -8.016 -5.042 2.941 1.00 0.00 C ATOM 1227 C HIS A 80 -7.925 -5.635 4.342 1.00 0.00 C ATOM 1228 O HIS A 80 -8.842 -6.299 4.818 1.00 0.00 O ATOM 1229 CB HIS A 80 -9.287 -5.387 2.160 1.00 0.00 C ATOM 1230 CG HIS A 80 -9.495 -4.496 0.962 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -10.021 -3.200 0.998 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -9.145 -4.800 -0.322 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -9.976 -2.757 -0.272 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -9.460 -3.697 -1.083 1.00 0.00 N ATOM 0 H HIS A 80 -6.473 -4.514 1.660 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.076 -3.968 3.116 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.236 -6.425 1.831 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.149 -5.305 2.822 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.707 -5.723 -0.672 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -10.308 -1.781 -0.595 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.325 -3.608 -2.090 1.00 0.00 H new ATOM 1242 N ASP A 81 -6.828 -5.319 5.035 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.624 -5.598 6.466 1.00 0.00 C ATOM 1244 C ASP A 81 -7.776 -5.095 7.353 1.00 0.00 C ATOM 1245 O ASP A 81 -7.954 -5.559 8.477 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.330 -4.912 6.919 1.00 0.00 C ATOM 1247 CG ASP A 81 -4.978 -5.242 8.378 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -4.626 -6.410 8.657 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -4.993 -4.325 9.232 1.00 0.00 O ATOM 0 H ASP A 81 -6.031 -4.848 4.607 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.575 -6.681 6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.510 -5.222 6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.435 -3.833 6.807 1.00 0.00 H new ATOM 1254 N ASP A 82 -8.564 -4.141 6.848 1.00 0.00 N ATOM 1255 CA ASP A 82 -9.711 -3.560 7.549 1.00 0.00 C ATOM 1256 C ASP A 82 -10.955 -4.442 7.397 1.00 0.00 C ATOM 1257 O ASP A 82 -11.823 -4.451 8.271 1.00 0.00 O ATOM 1258 CB ASP A 82 -10.002 -2.165 6.983 1.00 0.00 C ATOM 1259 CG ASP A 82 -11.220 -1.520 7.669 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -11.115 -1.128 8.853 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -12.274 -1.360 7.014 1.00 0.00 O ATOM 0 H ASP A 82 -8.418 -3.743 5.920 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.467 -3.490 8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.128 -1.527 7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.183 -2.237 5.911 1.00 0.00 H new ATOM 1266 N LYS A 83 -11.028 -5.207 6.302 1.00 0.00 N ATOM 1267 CA LYS A 83 -12.160 -6.078 5.986 1.00 0.00 C ATOM 1268 C LYS A 83 -11.856 -7.535 6.337 1.00 0.00 C ATOM 1269 O LYS A 83 -12.795 -8.315 6.501 1.00 0.00 O ATOM 1270 CB LYS A 83 -12.510 -5.984 4.489 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.647 -4.548 3.962 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.192 -4.557 2.527 1.00 0.00 C ATOM 1273 CE LYS A 83 -13.289 -3.116 2.021 1.00 0.00 C ATOM 1274 NZ LYS A 83 -13.806 -3.038 0.632 1.00 0.00 N ATOM 0 H LYS A 83 -10.288 -5.237 5.600 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.007 -5.741 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.739 -6.498 3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.446 -6.514 4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.315 -3.978 4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.678 -4.050 3.987 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.537 -5.140 1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.173 -5.032 2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.942 -2.545 2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.304 -2.651 2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.853 -2.043 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.170 -3.560 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.757 -3.457 0.592 1.00 0.00 H new ATOM 1288 N TYR A 84 -10.577 -7.903 6.462 1.00 0.00 N ATOM 1289 CA TYR A 84 -10.141 -9.294 6.552 1.00 0.00 C ATOM 1290 C TYR A 84 -9.197 -9.542 7.731 1.00 0.00 C ATOM 1291 O TYR A 84 -8.972 -8.674 8.575 1.00 0.00 O ATOM 1292 CB TYR A 84 -9.501 -9.698 5.206 1.00 0.00 C ATOM 1293 CG TYR A 84 -10.447 -9.645 4.022 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -11.648 -10.374 4.053 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -10.119 -8.885 2.888 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -12.537 -10.325 2.966 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -10.999 -8.829 1.791 1.00 0.00 C ATOM 1298 CZ TYR A 84 -12.217 -9.547 1.829 1.00 0.00 C ATOM 1299 OH TYR A 84 -13.085 -9.506 0.778 1.00 0.00 O ATOM 0 H TYR A 84 -9.809 -7.233 6.504 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.011 -9.922 6.745 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.654 -9.041 5.009 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.106 -10.710 5.295 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -11.889 -10.975 4.917 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.187 -8.341 2.857 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -13.463 -10.880 2.999 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.745 -8.239 0.923 1.00 0.00 H new ATOM 0 HH TYR A 84 -12.721 -8.927 0.076 1.00 0.00 H new ATOM 1309 N SER A 85 -8.677 -10.770 7.778 1.00 0.00 N ATOM 1310 CA SER A 85 -7.810 -11.308 8.824 1.00 0.00 C ATOM 1311 C SER A 85 -8.376 -11.149 10.247 1.00 0.00 C ATOM 1312 O SER A 85 -7.760 -10.495 11.092 1.00 0.00 O ATOM 1313 CB SER A 85 -6.381 -10.777 8.679 1.00 0.00 C ATOM 1314 OG SER A 85 -5.955 -10.752 7.318 1.00 0.00 O ATOM 0 H SER A 85 -8.861 -11.454 7.044 1.00 0.00 H new ATOM 0 HA SER A 85 -7.773 -12.387 8.674 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.324 -9.771 9.095 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.702 -11.401 9.260 1.00 0.00 H new ATOM 0 HG SER A 85 -6.215 -9.900 6.909 1.00 0.00 H new ATOM 1320 N PRO A 86 -9.530 -11.774 10.551 1.00 0.00 N ATOM 1321 CA PRO A 86 -10.059 -11.825 11.911 1.00 0.00 C ATOM 1322 C PRO A 86 -9.267 -12.742 12.846 1.00 0.00 C ATOM 1323 O PRO A 86 -9.491 -12.756 14.058 1.00 0.00 O ATOM 1324 CB PRO A 86 -11.491 -12.334 11.754 1.00 0.00 C ATOM 1325 CG PRO A 86 -11.418 -13.238 10.525 1.00 0.00 C ATOM 1326 CD PRO A 86 -10.378 -12.545 9.649 1.00 0.00 C ATOM 0 HA PRO A 86 -9.996 -10.841 12.375 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.820 -12.883 12.636 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.194 -11.514 11.607 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.114 -14.251 10.787 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.382 -13.314 10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.790 -13.275 9.092 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -10.857 -11.896 8.916 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.382 -13.551 12.269 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.687 -14.629 12.952 1.00 0.00 C ATOM 1336 C LEU A 87 -6.725 -14.068 14.006 1.00 0.00 C ATOM 1337 O LEU A 87 -6.086 -13.044 13.740 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.887 -15.434 11.920 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.725 -16.051 10.785 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -6.809 -16.907 9.903 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.879 -16.927 11.291 1.00 0.00 C ATOM 0 H LEU A 87 -8.124 -13.469 11.286 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.419 -15.265 13.449 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.131 -14.783 11.481 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.357 -16.234 12.437 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.167 -15.225 10.228 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.392 -17.350 9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.021 -16.282 9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.362 -17.699 10.504 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.429 -17.331 10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.479 -17.747 11.887 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.550 -16.326 11.905 1.00 0.00 H new ATOM 1353 N PRO A 88 -6.574 -14.724 15.173 1.00 0.00 N ATOM 1354 CA PRO A 88 -5.500 -14.409 16.107 1.00 0.00 C ATOM 1355 C PRO A 88 -4.159 -14.527 15.380 1.00 0.00 C ATOM 1356 O PRO A 88 -3.980 -15.440 14.566 1.00 0.00 O ATOM 1357 CB PRO A 88 -5.606 -15.429 17.248 1.00 0.00 C ATOM 1358 CG PRO A 88 -7.037 -15.955 17.149 1.00 0.00 C ATOM 1359 CD PRO A 88 -7.358 -15.847 15.660 1.00 0.00 C ATOM 0 HA PRO A 88 -5.575 -13.395 16.501 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.878 -16.232 17.133 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.419 -14.965 18.216 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -7.111 -16.984 17.501 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.725 -15.361 17.751 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.096 -16.765 15.135 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.423 -15.681 15.499 1.00 0.00 H new ATOM 1367 N CYS A 89 -3.209 -13.640 15.688 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.921 -13.602 15.002 1.00 0.00 C ATOM 1369 C CYS A 89 -1.228 -14.965 15.040 1.00 0.00 C ATOM 1370 O CYS A 89 -0.746 -15.432 14.008 1.00 0.00 O ATOM 1371 CB CYS A 89 -1.039 -12.483 15.581 1.00 0.00 C ATOM 1372 SG CYS A 89 -0.986 -12.521 17.401 1.00 0.00 S ATOM 0 H CYS A 89 -3.313 -12.933 16.416 1.00 0.00 H new ATOM 0 HA CYS A 89 -2.095 -13.373 13.951 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.027 -12.580 15.188 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -1.418 -11.516 15.250 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.227 -11.558 17.833 1.00 0.00 H new ATOM 1378 N SER A 90 -1.247 -15.639 16.192 1.00 0.00 N ATOM 1379 CA SER A 90 -0.626 -16.941 16.387 1.00 0.00 C ATOM 1380 C SER A 90 -1.114 -17.970 15.366 1.00 0.00 C ATOM 1381 O SER A 90 -0.301 -18.672 14.772 1.00 0.00 O ATOM 1382 CB SER A 90 -0.886 -17.410 17.827 1.00 0.00 C ATOM 1383 OG SER A 90 -0.662 -16.352 18.750 1.00 0.00 O ATOM 0 H SER A 90 -1.706 -15.283 17.030 1.00 0.00 H new ATOM 0 HA SER A 90 0.448 -16.843 16.228 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.912 -17.767 17.918 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.233 -18.250 18.064 1.00 0.00 H new ATOM 0 HG SER A 90 -0.835 -16.670 19.661 1.00 0.00 H new ATOM 1389 N LYS A 91 -2.424 -18.033 15.108 1.00 0.00 N ATOM 1390 CA LYS A 91 -3.030 -18.963 14.159 1.00 0.00 C ATOM 1391 C LYS A 91 -2.547 -18.707 12.737 1.00 0.00 C ATOM 1392 O LYS A 91 -2.382 -19.670 11.993 1.00 0.00 O ATOM 1393 CB LYS A 91 -4.568 -18.881 14.210 1.00 0.00 C ATOM 1394 CG LYS A 91 -5.195 -19.202 15.579 1.00 0.00 C ATOM 1395 CD LYS A 91 -4.893 -20.624 16.078 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.667 -20.893 17.377 1.00 0.00 C ATOM 1397 NZ LYS A 91 -5.425 -22.259 17.907 1.00 0.00 N ATOM 0 H LYS A 91 -3.104 -17.425 15.564 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.719 -19.966 14.452 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.873 -17.877 13.915 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.978 -19.569 13.470 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.830 -18.484 16.313 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.275 -19.071 15.514 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.174 -21.353 15.318 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.823 -20.739 16.251 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.378 -20.158 18.128 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.734 -20.760 17.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.969 -22.393 18.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.725 -22.963 17.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.411 -22.379 18.106 1.00 0.00 H new ATOM 1411 N ILE A 92 -2.287 -17.458 12.347 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.756 -17.159 11.019 1.00 0.00 C ATOM 1413 C ILE A 92 -0.391 -17.847 10.885 1.00 0.00 C ATOM 1414 O ILE A 92 -0.153 -18.556 9.905 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.674 -15.631 10.788 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -3.050 -14.948 10.985 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.123 -15.348 9.381 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -2.977 -13.417 11.012 1.00 0.00 C ATOM 0 H ILE A 92 -2.436 -16.637 12.934 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.422 -17.543 10.246 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.996 -15.210 11.531 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.718 -15.257 10.181 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.490 -15.299 11.918 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.067 -14.271 9.222 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.127 -15.781 9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.784 -15.791 8.636 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.977 -13.007 11.153 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.335 -13.098 11.833 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.567 -13.056 10.069 1.00 0.00 H new ATOM 1430 N ILE A 93 0.485 -17.685 11.885 1.00 0.00 N ATOM 1431 CA ILE A 93 1.802 -18.310 11.886 1.00 0.00 C ATOM 1432 C ILE A 93 1.633 -19.831 11.893 1.00 0.00 C ATOM 1433 O ILE A 93 2.269 -20.526 11.104 1.00 0.00 O ATOM 1434 CB ILE A 93 2.643 -17.845 13.100 1.00 0.00 C ATOM 1435 CG1 ILE A 93 2.584 -16.337 13.410 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.101 -18.268 12.894 1.00 0.00 C ATOM 1437 CD1 ILE A 93 2.911 -15.403 12.241 1.00 0.00 C ATOM 0 H ILE A 93 0.296 -17.118 12.711 1.00 0.00 H new ATOM 0 HA ILE A 93 2.339 -18.008 10.987 1.00 0.00 H new ATOM 0 HB ILE A 93 2.196 -18.331 13.967 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.584 -16.099 13.772 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.277 -16.125 14.224 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.698 -17.943 13.746 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.156 -19.353 12.805 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.488 -17.809 11.984 1.00 0.00 H new ATOM 0 HD11 ILE A 93 2.839 -14.367 12.572 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.923 -15.602 11.889 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.204 -15.575 11.429 1.00 0.00 H new ATOM 1449 N GLN A 94 0.766 -20.347 12.767 1.00 0.00 N ATOM 1450 CA GLN A 94 0.524 -21.776 12.909 1.00 0.00 C ATOM 1451 C GLN A 94 0.091 -22.381 11.568 1.00 0.00 C ATOM 1452 O GLN A 94 0.638 -23.412 11.187 1.00 0.00 O ATOM 1453 CB GLN A 94 -0.393 -22.076 14.122 1.00 0.00 C ATOM 1454 CG GLN A 94 -1.822 -22.568 13.847 1.00 0.00 C ATOM 1455 CD GLN A 94 -1.884 -23.998 13.286 1.00 0.00 C ATOM 1456 OE1 GLN A 94 -1.263 -24.921 13.809 1.00 0.00 O ATOM 1457 NE2 GLN A 94 -2.611 -24.210 12.200 1.00 0.00 N ATOM 0 H GLN A 94 0.208 -19.774 13.401 1.00 0.00 H new ATOM 0 HA GLN A 94 1.452 -22.291 13.157 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.104 -22.825 14.738 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -0.463 -21.167 14.719 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -2.396 -22.525 14.772 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -2.302 -21.889 13.142 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.124 -23.440 11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.658 -25.144 11.792 1.00 0.00 H new ATOM 1466 N ARG A 95 -0.821 -21.738 10.821 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.193 -22.196 9.481 1.00 0.00 C ATOM 1468 C ARG A 95 0.035 -22.179 8.583 1.00 0.00 C ATOM 1469 O ARG A 95 0.354 -23.205 7.987 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.325 -21.359 8.875 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.681 -21.702 9.510 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.816 -21.325 8.560 1.00 0.00 C ATOM 1473 NE ARG A 95 -6.133 -21.707 9.106 1.00 0.00 N ATOM 1474 CZ ARG A 95 -7.289 -21.727 8.428 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -7.349 -21.303 7.170 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -8.394 -22.175 9.016 1.00 0.00 N ATOM 0 H ARG A 95 -1.313 -20.898 11.127 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.571 -23.215 9.563 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.112 -20.300 9.018 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.371 -21.532 7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.726 -22.767 9.738 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.794 -21.169 10.454 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.796 -20.251 8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -4.664 -21.816 7.599 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.166 -21.980 10.088 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.508 -20.956 6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.236 -21.324 6.666 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.361 -22.503 9.981 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.275 -22.191 8.502 1.00 0.00 H new ATOM 1490 N ALA A 96 0.735 -21.045 8.509 1.00 0.00 N ATOM 1491 CA ALA A 96 1.880 -20.886 7.628 1.00 0.00 C ATOM 1492 C ALA A 96 2.885 -22.018 7.820 1.00 0.00 C ATOM 1493 O ALA A 96 3.272 -22.675 6.856 1.00 0.00 O ATOM 1494 CB ALA A 96 2.512 -19.504 7.846 1.00 0.00 C ATOM 0 H ALA A 96 0.519 -20.215 9.061 1.00 0.00 H new ATOM 0 HA ALA A 96 1.545 -20.944 6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.370 -19.388 7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.777 -18.729 7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.838 -19.412 8.882 1.00 0.00 H new ATOM 1500 N GLU A 97 3.264 -22.285 9.065 1.00 0.00 N ATOM 1501 CA GLU A 97 4.333 -23.220 9.375 1.00 0.00 C ATOM 1502 C GLU A 97 3.863 -24.681 9.364 1.00 0.00 C ATOM 1503 O GLU A 97 4.701 -25.577 9.256 1.00 0.00 O ATOM 1504 CB GLU A 97 5.004 -22.837 10.702 1.00 0.00 C ATOM 1505 CG GLU A 97 5.645 -21.441 10.614 1.00 0.00 C ATOM 1506 CD GLU A 97 6.670 -21.190 11.734 1.00 0.00 C ATOM 1507 OE1 GLU A 97 6.332 -21.314 12.934 1.00 0.00 O ATOM 1508 OE2 GLU A 97 7.835 -20.865 11.408 1.00 0.00 O ATOM 0 H GLU A 97 2.837 -21.858 9.887 1.00 0.00 H new ATOM 0 HA GLU A 97 5.078 -23.147 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.266 -22.852 11.504 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.765 -23.575 10.955 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.135 -21.330 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.864 -20.682 10.664 1.00 0.00 H new ATOM 1515 N GLU A 98 2.555 -24.962 9.423 1.00 0.00 N ATOM 1516 CA GLU A 98 2.012 -26.299 9.325 1.00 0.00 C ATOM 1517 C GLU A 98 2.041 -26.746 7.856 1.00 0.00 C ATOM 1518 O GLU A 98 2.171 -27.934 7.554 1.00 0.00 O ATOM 1519 CB GLU A 98 0.597 -26.230 9.923 1.00 0.00 C ATOM 1520 CG GLU A 98 -0.286 -27.414 9.563 1.00 0.00 C ATOM 1521 CD GLU A 98 -1.551 -27.493 10.442 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -2.295 -26.492 10.564 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -1.820 -28.575 11.014 1.00 0.00 O ATOM 0 H GLU A 98 1.841 -24.244 9.543 1.00 0.00 H new ATOM 0 HA GLU A 98 2.589 -27.043 9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.675 -26.165 11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.114 -25.314 9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.579 -27.340 8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.286 -28.336 9.670 1.00 0.00 H new ATOM 1530 N LEU A 99 1.944 -25.782 6.938 1.00 0.00 N ATOM 1531 CA LEU A 99 1.821 -26.029 5.510 1.00 0.00 C ATOM 1532 C LEU A 99 3.188 -26.138 4.831 1.00 0.00 C ATOM 1533 O LEU A 99 3.249 -26.589 3.692 1.00 0.00 O ATOM 1534 CB LEU A 99 0.945 -24.927 4.893 1.00 0.00 C ATOM 1535 CG LEU A 99 -0.495 -24.943 5.456 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -1.220 -23.647 5.092 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.318 -26.122 4.924 1.00 0.00 C ATOM 0 H LEU A 99 1.949 -24.790 7.177 1.00 0.00 H new ATOM 0 HA LEU A 99 1.339 -26.993 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.398 -23.954 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.912 -25.055 3.811 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.404 -25.044 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.233 -23.671 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.682 -22.798 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.263 -23.546 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.321 -26.087 5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.383 -26.060 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.837 -27.058 5.206 1.00 0.00 H new ATOM 1549 N VAL A 100 4.287 -25.777 5.499 1.00 0.00 N ATOM 1550 CA VAL A 100 5.637 -25.963 4.969 1.00 0.00 C ATOM 1551 C VAL A 100 5.837 -27.446 4.625 1.00 0.00 C ATOM 1552 O VAL A 100 5.564 -28.328 5.443 1.00 0.00 O ATOM 1553 CB VAL A 100 6.682 -25.442 5.979 1.00 0.00 C ATOM 1554 CG1 VAL A 100 8.129 -25.694 5.526 1.00 0.00 C ATOM 1555 CG2 VAL A 100 6.520 -23.930 6.173 1.00 0.00 C ATOM 0 H VAL A 100 4.264 -25.347 6.424 1.00 0.00 H new ATOM 0 HA VAL A 100 5.771 -25.385 4.055 1.00 0.00 H new ATOM 0 HB VAL A 100 6.503 -25.988 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.818 -25.306 6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.291 -26.765 5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 100 8.306 -25.190 4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.262 -23.573 6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.662 -23.423 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.520 -23.717 6.551 1.00 0.00 H new ATOM 1565 N GLY A 101 6.316 -27.709 3.409 1.00 0.00 N ATOM 1566 CA GLY A 101 6.587 -29.044 2.901 1.00 0.00 C ATOM 1567 C GLY A 101 5.342 -29.733 2.337 1.00 0.00 C ATOM 1568 O GLY A 101 5.458 -30.873 1.882 1.00 0.00 O ATOM 0 H GLY A 101 6.531 -26.974 2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.346 -28.983 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.002 -29.655 3.703 1.00 0.00 H new ATOM 1572 N GLN A 102 4.169 -29.086 2.357 1.00 0.00 N ATOM 1573 CA GLN A 102 2.967 -29.634 1.737 1.00 0.00 C ATOM 1574 C GLN A 102 2.933 -29.242 0.266 1.00 0.00 C ATOM 1575 O GLN A 102 3.667 -28.364 -0.194 1.00 0.00 O ATOM 1576 CB GLN A 102 1.688 -29.209 2.483 1.00 0.00 C ATOM 1577 CG GLN A 102 1.661 -29.866 3.869 1.00 0.00 C ATOM 1578 CD GLN A 102 0.321 -29.732 4.598 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -0.744 -29.976 4.034 1.00 0.00 O ATOM 1580 NE2 GLN A 102 0.324 -29.374 5.874 1.00 0.00 N ATOM 0 H GLN A 102 4.032 -28.177 2.800 1.00 0.00 H new ATOM 0 HA GLN A 102 3.002 -30.721 1.805 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.656 -28.124 2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.807 -29.503 1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.900 -30.924 3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.443 -29.423 4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.206 -29.171 6.345 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.556 -29.302 6.385 1.00 0.00 H new ATOM 1589 N GLU A 103 2.056 -29.911 -0.471 1.00 0.00 N ATOM 1590 CA GLU A 103 1.983 -29.839 -1.924 1.00 0.00 C ATOM 1591 C GLU A 103 0.592 -29.335 -2.311 1.00 0.00 C ATOM 1592 O GLU A 103 -0.387 -29.614 -1.612 1.00 0.00 O ATOM 1593 CB GLU A 103 2.256 -31.219 -2.554 1.00 0.00 C ATOM 1594 CG GLU A 103 3.444 -32.002 -1.966 1.00 0.00 C ATOM 1595 CD GLU A 103 3.649 -33.340 -2.699 1.00 0.00 C ATOM 1596 OE1 GLU A 103 4.357 -33.380 -3.730 1.00 0.00 O ATOM 1597 OE2 GLU A 103 3.114 -34.377 -2.242 1.00 0.00 O ATOM 0 H GLU A 103 1.358 -30.534 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 103 2.743 -29.153 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.358 -31.828 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.428 -31.082 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.351 -31.402 -2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.271 -32.188 -0.906 1.00 0.00 H new ATOM 1604 N VAL A 104 0.494 -28.626 -3.435 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.745 -28.108 -3.978 1.00 0.00 C ATOM 1606 C VAL A 104 -0.809 -28.478 -5.461 1.00 0.00 C ATOM 1607 O VAL A 104 0.209 -28.546 -6.155 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.839 -26.594 -3.721 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -1.038 -26.273 -2.232 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.352 -25.785 -4.246 1.00 0.00 C ATOM 0 H VAL A 104 1.306 -28.393 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.611 -28.551 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.717 -26.288 -4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.099 -25.193 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.960 -26.735 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.196 -26.663 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.202 -24.729 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.267 -26.131 -3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.435 -25.918 -5.325 1.00 0.00 H new ATOM 1620 N LEU A 105 -2.019 -28.719 -5.964 1.00 0.00 N ATOM 1621 CA LEU A 105 -2.237 -29.312 -7.284 1.00 0.00 C ATOM 1622 C LEU A 105 -2.694 -28.259 -8.293 1.00 0.00 C ATOM 1623 O LEU A 105 -3.588 -28.468 -9.116 1.00 0.00 O ATOM 1624 CB LEU A 105 -3.245 -30.455 -7.171 1.00 0.00 C ATOM 1625 CG LEU A 105 -2.850 -31.616 -6.237 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -3.969 -32.661 -6.216 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.537 -32.286 -6.662 1.00 0.00 C ATOM 0 H LEU A 105 -2.882 -28.507 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.294 -29.715 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.193 -30.044 -6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.418 -30.860 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.700 -31.197 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.688 -33.481 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.889 -32.202 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.127 -33.045 -7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.303 -33.097 -5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.642 -32.686 -7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.732 -31.552 -6.645 1.00 0.00 H new ATOM 1639 N TYR A 106 -2.075 -27.098 -8.170 1.00 0.00 N ATOM 1640 CA TYR A 106 -2.152 -25.988 -9.101 1.00 0.00 C ATOM 1641 C TYR A 106 -0.770 -25.354 -9.212 1.00 0.00 C ATOM 1642 O TYR A 106 0.006 -25.369 -8.253 1.00 0.00 O ATOM 1643 CB TYR A 106 -3.201 -24.972 -8.634 1.00 0.00 C ATOM 1644 CG TYR A 106 -3.115 -24.538 -7.175 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -2.095 -23.672 -6.725 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -4.083 -25.004 -6.263 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -2.052 -23.273 -5.376 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -4.047 -24.605 -4.916 1.00 0.00 C ATOM 1649 CZ TYR A 106 -3.031 -23.733 -4.466 1.00 0.00 C ATOM 1650 OH TYR A 106 -2.981 -23.343 -3.163 1.00 0.00 O ATOM 0 H TYR A 106 -1.472 -26.894 -7.373 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.462 -26.341 -10.085 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -3.121 -24.084 -9.261 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.190 -25.396 -8.808 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.347 -23.315 -7.417 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.859 -25.674 -6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.268 -22.613 -5.035 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.795 -24.965 -4.226 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.727 -23.747 -2.672 1.00 0.00 H new ATOM 1660 N LYS A 107 -0.454 -24.787 -10.375 1.00 0.00 N ATOM 1661 CA LYS A 107 0.737 -24.016 -10.620 1.00 0.00 C ATOM 1662 C LYS A 107 0.778 -22.801 -9.695 1.00 0.00 C ATOM 1663 O LYS A 107 -0.258 -22.198 -9.412 1.00 0.00 O ATOM 1664 CB LYS A 107 0.663 -23.555 -12.081 1.00 0.00 C ATOM 1665 CG LYS A 107 2.057 -23.407 -12.672 1.00 0.00 C ATOM 1666 CD LYS A 107 2.022 -22.759 -14.063 1.00 0.00 C ATOM 1667 CE LYS A 107 3.449 -22.553 -14.593 1.00 0.00 C ATOM 1668 NZ LYS A 107 3.463 -21.849 -15.902 1.00 0.00 N ATOM 0 H LYS A 107 -1.053 -24.862 -11.197 1.00 0.00 H new ATOM 0 HA LYS A 107 1.633 -24.608 -10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.090 -24.275 -12.666 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.135 -22.603 -12.140 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.672 -22.803 -12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.529 -24.387 -12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.459 -23.390 -14.751 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.504 -21.801 -14.012 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.026 -21.979 -13.867 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.940 -23.521 -14.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.445 -21.731 -16.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.935 -22.408 -16.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.018 -20.915 -15.798 1.00 0.00 H new ATOM 1682 N LEU A 108 1.978 -22.376 -9.316 1.00 0.00 N ATOM 1683 CA LEU A 108 2.255 -21.142 -8.579 1.00 0.00 C ATOM 1684 C LEU A 108 2.076 -19.867 -9.434 1.00 0.00 C ATOM 1685 O LEU A 108 2.998 -19.058 -9.550 1.00 0.00 O ATOM 1686 CB LEU A 108 3.640 -21.233 -7.899 1.00 0.00 C ATOM 1687 CG LEU A 108 4.820 -21.824 -8.707 1.00 0.00 C ATOM 1688 CD1 LEU A 108 4.993 -21.315 -10.142 1.00 0.00 C ATOM 1689 CD2 LEU A 108 6.119 -21.581 -7.935 1.00 0.00 C ATOM 0 H LEU A 108 2.825 -22.905 -9.522 1.00 0.00 H new ATOM 0 HA LEU A 108 1.504 -21.044 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.923 -20.228 -7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.527 -21.829 -6.993 1.00 0.00 H new ATOM 0 HG LEU A 108 4.579 -22.881 -8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.852 -21.804 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.096 -21.541 -10.719 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.154 -20.237 -10.129 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.958 -21.994 -8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.266 -20.510 -7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.060 -22.066 -6.961 1.00 0.00 H new ATOM 1701 N THR A 109 0.915 -19.672 -10.066 1.00 0.00 N ATOM 1702 CA THR A 109 0.603 -18.395 -10.706 1.00 0.00 C ATOM 1703 C THR A 109 0.520 -17.300 -9.634 1.00 0.00 C ATOM 1704 O THR A 109 0.305 -17.591 -8.451 1.00 0.00 O ATOM 1705 CB THR A 109 -0.713 -18.489 -11.495 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.760 -18.894 -10.636 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.618 -19.485 -12.652 1.00 0.00 C ATOM 0 H THR A 109 0.182 -20.377 -10.147 1.00 0.00 H new ATOM 0 HA THR A 109 1.394 -18.144 -11.413 1.00 0.00 H new ATOM 0 HB THR A 109 -0.913 -17.500 -11.906 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.596 -18.951 -11.144 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.570 -19.519 -13.182 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.168 -19.171 -13.339 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.384 -20.475 -12.261 1.00 0.00 H new ATOM 1715 N SER A 110 0.618 -16.038 -10.049 1.00 0.00 N ATOM 1716 CA SER A 110 0.442 -14.878 -9.186 1.00 0.00 C ATOM 1717 C SER A 110 -0.881 -14.987 -8.408 1.00 0.00 C ATOM 1718 O SER A 110 -0.919 -14.783 -7.193 1.00 0.00 O ATOM 1719 CB SER A 110 0.477 -13.611 -10.063 1.00 0.00 C ATOM 1720 OG SER A 110 1.331 -13.762 -11.195 1.00 0.00 O ATOM 0 H SER A 110 0.827 -15.791 -11.016 1.00 0.00 H new ATOM 0 HA SER A 110 1.245 -14.827 -8.451 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.533 -13.377 -10.401 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.817 -12.766 -9.464 1.00 0.00 H new ATOM 0 HG SER A 110 1.322 -12.937 -11.724 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.956 -15.372 -9.104 1.00 0.00 N ATOM 1727 CA GLU A 111 -3.289 -15.507 -8.530 1.00 0.00 C ATOM 1728 C GLU A 111 -3.351 -16.693 -7.570 1.00 0.00 C ATOM 1729 O GLU A 111 -3.941 -16.566 -6.499 1.00 0.00 O ATOM 1730 CB GLU A 111 -4.332 -15.671 -9.647 1.00 0.00 C ATOM 1731 CG GLU A 111 -4.455 -14.411 -10.517 1.00 0.00 C ATOM 1732 CD GLU A 111 -5.546 -14.572 -11.591 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -6.728 -14.256 -11.321 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -5.232 -14.996 -12.728 1.00 0.00 O ATOM 0 H GLU A 111 -1.918 -15.601 -10.097 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.513 -14.601 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.059 -16.519 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.302 -15.901 -9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.688 -13.553 -9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.498 -14.204 -10.997 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.737 -17.833 -7.903 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.793 -18.993 -7.017 1.00 0.00 C ATOM 1743 C ASN A 112 -1.966 -18.766 -5.753 1.00 0.00 C ATOM 1744 O ASN A 112 -2.310 -19.308 -4.702 1.00 0.00 O ATOM 1745 CB ASN A 112 -2.339 -20.270 -7.730 1.00 0.00 C ATOM 1746 CG ASN A 112 -3.407 -20.845 -8.660 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -4.608 -20.675 -8.457 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -3.002 -21.545 -9.705 1.00 0.00 N ATOM 0 H ASN A 112 -2.206 -17.974 -8.763 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.835 -19.123 -6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.439 -20.057 -8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -2.071 -21.020 -6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.686 -21.946 -10.346 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.005 -21.684 -9.870 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.903 -17.958 -5.813 1.00 0.00 N ATOM 1756 CA CYS A 113 -0.168 -17.586 -4.613 1.00 0.00 C ATOM 1757 C CYS A 113 -1.014 -16.653 -3.742 1.00 0.00 C ATOM 1758 O CYS A 113 -1.051 -16.841 -2.526 1.00 0.00 O ATOM 1759 CB CYS A 113 1.176 -16.941 -4.962 1.00 0.00 C ATOM 1760 SG CYS A 113 2.174 -18.076 -5.964 1.00 0.00 S ATOM 0 H CYS A 113 -0.539 -17.554 -6.676 1.00 0.00 H new ATOM 0 HA CYS A 113 0.042 -18.493 -4.047 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.011 -16.012 -5.508 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.712 -16.683 -4.049 1.00 0.00 H new ATOM 0 HG CYS A 113 1.688 -18.134 -7.168 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.707 -15.676 -4.343 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.598 -14.769 -3.617 1.00 0.00 C ATOM 1768 C GLU A 114 -3.712 -15.568 -2.926 1.00 0.00 C ATOM 1769 O GLU A 114 -4.027 -15.334 -1.756 1.00 0.00 O ATOM 1770 CB GLU A 114 -3.195 -13.738 -4.592 1.00 0.00 C ATOM 1771 CG GLU A 114 -4.011 -12.660 -3.864 1.00 0.00 C ATOM 1772 CD GLU A 114 -4.705 -11.707 -4.851 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -5.676 -12.121 -5.525 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -4.321 -10.519 -4.923 1.00 0.00 O ATOM 0 H GLU A 114 -1.664 -15.495 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.030 -14.240 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.391 -13.265 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.832 -14.249 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.760 -13.136 -3.231 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.355 -12.089 -3.207 1.00 0.00 H new ATOM 1781 N HIS A 115 -4.282 -16.529 -3.655 1.00 0.00 N ATOM 1782 CA HIS A 115 -5.317 -17.446 -3.203 1.00 0.00 C ATOM 1783 C HIS A 115 -4.821 -18.210 -1.976 1.00 0.00 C ATOM 1784 O HIS A 115 -5.405 -18.067 -0.895 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.664 -18.361 -4.390 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.618 -19.497 -4.116 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -6.383 -20.580 -3.261 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -7.797 -19.701 -4.772 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -7.446 -21.392 -3.402 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -8.309 -20.888 -4.300 1.00 0.00 N ATOM 0 H HIS A 115 -4.017 -16.693 -4.626 1.00 0.00 H new ATOM 0 HA HIS A 115 -6.223 -16.927 -2.891 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -6.089 -17.744 -5.182 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.736 -18.782 -4.777 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -8.241 -19.057 -5.516 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -7.586 -22.320 -2.868 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -9.192 -21.312 -4.583 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.699 -18.931 -2.113 1.00 0.00 N ATOM 1799 CA PHE A 116 -3.126 -19.707 -1.027 1.00 0.00 C ATOM 1800 C PHE A 116 -2.928 -18.831 0.196 1.00 0.00 C ATOM 1801 O PHE A 116 -3.417 -19.156 1.271 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.777 -20.304 -1.460 1.00 0.00 C ATOM 1803 CG PHE A 116 -0.881 -20.746 -0.308 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.029 -22.025 0.258 1.00 0.00 C ATOM 1805 CD2 PHE A 116 0.067 -19.851 0.239 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.244 -22.399 1.364 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.819 -20.206 1.372 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.675 -21.492 1.922 1.00 0.00 C ATOM 0 H PHE A 116 -3.170 -18.986 -2.984 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.812 -20.516 -0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -1.964 -21.161 -2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.242 -19.565 -2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.745 -22.720 -0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.215 -18.884 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -0.348 -23.387 1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.502 -19.497 1.816 1.00 0.00 H new ATOM 0 HZ PHE A 116 1.271 -21.784 2.774 1.00 0.00 H new ATOM 1818 N VAL A 117 -2.213 -17.720 0.041 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.785 -16.946 1.193 1.00 0.00 C ATOM 1820 C VAL A 117 -2.984 -16.327 1.930 1.00 0.00 C ATOM 1821 O VAL A 117 -2.932 -16.140 3.149 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.689 -15.956 0.760 1.00 0.00 C ATOM 1823 CG1 VAL A 117 -1.217 -14.649 0.155 1.00 0.00 C ATOM 1824 CG2 VAL A 117 0.227 -15.676 1.937 1.00 0.00 C ATOM 0 H VAL A 117 -1.923 -17.342 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.328 -17.592 1.943 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.137 -16.436 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.378 -14.011 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.811 -14.872 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.838 -14.134 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.005 -14.975 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.352 -15.245 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.687 -16.607 2.270 1.00 0.00 H new ATOM 1834 N ASN A 118 -4.094 -16.062 1.232 1.00 0.00 N ATOM 1835 CA ASN A 118 -5.312 -15.596 1.884 1.00 0.00 C ATOM 1836 C ASN A 118 -5.951 -16.705 2.713 1.00 0.00 C ATOM 1837 O ASN A 118 -6.516 -16.407 3.764 1.00 0.00 O ATOM 1838 CB ASN A 118 -6.285 -14.960 0.885 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.946 -13.485 0.714 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -6.537 -12.621 1.355 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.946 -13.169 -0.093 1.00 0.00 N ATOM 0 H ASN A 118 -4.169 -16.163 0.220 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.038 -14.804 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -6.223 -15.472 -0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -7.310 -15.070 1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.656 -12.196 -0.189 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.465 -13.899 -0.619 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.788 -17.979 2.343 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.177 -19.085 3.225 1.00 0.00 C ATOM 1850 C GLU A 119 -5.418 -19.053 4.562 1.00 0.00 C ATOM 1851 O GLU A 119 -5.911 -19.603 5.545 1.00 0.00 O ATOM 1852 CB GLU A 119 -6.012 -20.478 2.588 1.00 0.00 C ATOM 1853 CG GLU A 119 -6.753 -20.674 1.262 1.00 0.00 C ATOM 1854 CD GLU A 119 -6.662 -22.131 0.771 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -5.580 -22.573 0.324 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -7.685 -22.851 0.826 1.00 0.00 O ATOM 0 H GLU A 119 -5.393 -18.269 1.448 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.240 -18.926 3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -4.950 -20.663 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -6.361 -21.229 3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.800 -20.396 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -6.333 -20.009 0.508 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.239 -18.426 4.638 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.456 -18.379 5.865 1.00 0.00 C ATOM 1865 C LEU A 120 -3.843 -17.156 6.687 1.00 0.00 C ATOM 1866 O LEU A 120 -4.056 -17.292 7.891 1.00 0.00 O ATOM 1867 CB LEU A 120 -1.943 -18.364 5.586 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.335 -19.729 5.220 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -2.016 -20.432 4.049 1.00 0.00 C ATOM 1870 CD2 LEU A 120 0.134 -19.523 4.857 1.00 0.00 C ATOM 0 H LEU A 120 -3.807 -17.941 3.851 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.679 -19.286 6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.746 -17.666 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.430 -17.980 6.468 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.472 -20.368 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.523 -21.386 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.065 -20.607 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.947 -19.806 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.582 -20.481 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.207 -18.844 4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.663 -19.097 5.709 1.00 0.00 H new ATOM 1882 N ARG A 121 -3.920 -15.968 6.068 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.128 -14.734 6.830 1.00 0.00 C ATOM 1884 C ARG A 121 -5.605 -14.450 7.075 1.00 0.00 C ATOM 1885 O ARG A 121 -5.968 -14.078 8.188 1.00 0.00 O ATOM 1886 CB ARG A 121 -3.438 -13.544 6.142 1.00 0.00 C ATOM 1887 CG ARG A 121 -3.062 -12.497 7.198 1.00 0.00 C ATOM 1888 CD ARG A 121 -2.552 -11.200 6.576 1.00 0.00 C ATOM 1889 NE ARG A 121 -1.986 -10.305 7.600 1.00 0.00 N ATOM 1890 CZ ARG A 121 -2.548 -9.203 8.112 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -3.821 -8.912 7.874 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -1.839 -8.372 8.869 1.00 0.00 N ATOM 0 H ARG A 121 -3.843 -15.839 5.059 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.669 -14.877 7.808 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.546 -13.881 5.614 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.102 -13.104 5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.932 -12.282 7.818 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.296 -12.907 7.856 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.793 -11.426 5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.369 -10.696 6.059 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.064 -10.552 7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.386 -9.532 7.294 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.234 -8.068 8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.858 -8.571 9.064 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.276 -7.535 9.255 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.450 -14.582 6.051 1.00 0.00 N ATOM 1907 CA TYR A 122 -7.894 -14.393 6.205 1.00 0.00 C ATOM 1908 C TYR A 122 -8.530 -15.684 6.721 1.00 0.00 C ATOM 1909 O TYR A 122 -9.280 -15.646 7.696 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.521 -13.911 4.881 1.00 0.00 C ATOM 1911 CG TYR A 122 -10.044 -13.812 4.815 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -10.831 -13.543 5.956 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -10.683 -13.992 3.573 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -12.234 -13.496 5.866 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -12.083 -13.939 3.470 1.00 0.00 C ATOM 1916 CZ TYR A 122 -12.869 -13.696 4.619 1.00 0.00 C ATOM 1917 OH TYR A 122 -14.227 -13.648 4.509 1.00 0.00 O ATOM 0 H TYR A 122 -6.158 -14.820 5.103 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.087 -13.614 6.943 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.110 -12.927 4.653 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.193 -14.585 4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -10.351 -13.372 6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.090 -14.173 2.689 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -12.826 -13.307 6.749 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -12.559 -14.084 2.512 1.00 0.00 H new ATOM 0 HH TYR A 122 -14.486 -13.807 3.577 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.206 -16.822 6.107 1.00 0.00 N ATOM 1928 CA GLY A 123 -8.715 -18.134 6.496 1.00 0.00 C ATOM 1929 C GLY A 123 -9.213 -18.925 5.289 1.00 0.00 C ATOM 1930 O GLY A 123 -9.191 -20.156 5.315 1.00 0.00 O ATOM 0 H GLY A 123 -7.570 -16.857 5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -7.928 -18.695 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.528 -18.012 7.212 1.00 0.00 H new ATOM 1934 N VAL A 124 -9.610 -18.230 4.219 1.00 0.00 N ATOM 1935 CA VAL A 124 -10.010 -18.788 2.931 1.00 0.00 C ATOM 1936 C VAL A 124 -9.512 -17.793 1.868 1.00 0.00 C ATOM 1937 O VAL A 124 -9.414 -16.596 2.154 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.552 -18.968 2.868 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -11.967 -19.800 1.645 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -12.152 -19.660 4.106 1.00 0.00 C ATOM 0 H VAL A 124 -9.663 -17.211 4.232 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.582 -19.777 2.767 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.939 -17.951 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.052 -19.908 1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -11.639 -19.298 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.505 -20.786 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.232 -19.749 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -11.716 -20.653 4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -11.933 -19.069 4.995 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.180 -18.274 0.664 1.00 0.00 N ATOM 1951 CA ALA A 125 -8.899 -17.431 -0.491 1.00 0.00 C ATOM 1952 C ALA A 125 -10.002 -16.390 -0.704 1.00 0.00 C ATOM 1953 O ALA A 125 -9.666 -15.221 -0.985 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.741 -18.303 -1.734 1.00 0.00 C ATOM 1955 OXT ALA A 125 -11.198 -16.752 -0.656 1.00 0.00 O ATOM 0 H ALA A 125 -9.100 -19.272 0.468 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.970 -16.892 -0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.531 -17.671 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.917 -19.001 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.662 -18.860 -1.907 1.00 0.00 H new TER 1961 ALA A 125