USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 928 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 98 LYS NZ :NH3+ -164:sc= 0.851 (180deg=-0.11) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0.748 USER MOD Set 2.1: A 20 SER OG : rot 75:sc= 1.42 USER MOD Set 2.2: A 21 SER OG : rot -173:sc= 0.921 USER MOD Set 2.3: A 48 HIS : no HE2:sc= 0.69 K(o=4.3,f=1.1!) USER MOD Set 2.4: A 82 THR OG1 : rot -170:sc= 0.477 USER MOD Set 2.5: A 101 GLN : amide:sc= 0.773 K(o=4.3,f=1.4) USER MOD Set 3.1: A 31 CYS SG : rot 78:sc= 0.0252 USER MOD Set 3.2: A 37 GLN : amide:sc= 0.665 K(o=1.8,f=-1.5) USER MOD Set 3.3: A 92 TYR OH : rot 37:sc= 1.07 USER MOD Set 4.1: A 30 MET CE :methyl 167:sc= 0 (180deg=-0.197) USER MOD Set 4.2: A 97 TYR OH : rot -110:sc= 0 USER MOD Set 5.1: A 17 ASN : amide:sc= 1.56 K(o=2.8,f=-1.1) USER MOD Set 5.2: A 25 TYR OH : rot -157:sc= 1.23 USER MOD Set 6.1: A 12 HIS : +bothHN:sc= 0.482 K(o=1.8,f=-2.6!) USER MOD Set 6.2: A 44 ASN : amide:sc= 1.27 K(o=1.8,f=-2) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 150:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 170:sc= -0.0517 (180deg=-0.219) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.153 USER MOD Single : A 22 SER OG : rot 67:sc= 0.949 USER MOD Single : A 23 SER OG : rot 180:sc= 0.139 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 1.65 K(o=1.6,f=-4.7!) USER MOD Single : A 29 MET CE :methyl -168:sc= -0.435 (180deg=-0.729) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 174:sc=-0.00253 (180deg=-0.0574) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -160:sc= -0.412 USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0208) USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= 1.21 (180deg=1.02) USER MOD Single : A 45 THR OG1 : rot -120:sc= 1.21 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 178:sc=-0.00766 (180deg=-0.0123) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.581 K(o=0.58,f=-2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -139:sc= -0.0109 (180deg=-0.721) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 105:sc= 0.358 USER MOD Single : A 71 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 73 TYR OH : rot 138:sc= 1.27 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -104:sc= 1.16 USER MOD Single : A 76 LYS NZ :NH3+ -120:sc= -0.0324 (180deg=-0.887) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0286 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.093 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 88:sc= 0.477 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 170:sc= 0.715 USER MOD Single : A 91 LYS NZ :NH3+ -170:sc=-0.00131 (180deg=-0.0971) USER MOD Single : A 94 ASN : amide:sc= -0.0589 X(o=-0.059,f=0) USER MOD Single : A 99 THR OG1 : rot 177:sc= 0.594 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HE2:sc= 0.384 K(o=0.38,f=-2!) USER MOD Single : A 113 LYS NZ :NH3+ 169:sc= -0.0153 (180deg=-0.142) USER MOD Single : A 115 SER OG : rot -75:sc= 1.23 USER MOD Single : A 119 HIS : no HD1:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 123 SER OG : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.152 -12.086 10.169 1.00 0.00 N ATOM 2 CA LYS A 1 -15.336 -11.462 8.844 1.00 0.00 C ATOM 3 C LYS A 1 -14.011 -10.881 8.342 1.00 0.00 C ATOM 4 O LYS A 1 -13.530 -11.250 7.273 1.00 0.00 O ATOM 5 CB LYS A 1 -16.459 -10.417 8.894 1.00 0.00 C ATOM 6 CG LYS A 1 -16.887 -9.962 7.493 1.00 0.00 C ATOM 7 CD LYS A 1 -18.099 -9.028 7.597 1.00 0.00 C ATOM 8 CE LYS A 1 -18.589 -8.623 6.204 1.00 0.00 C ATOM 9 NZ LYS A 1 -19.779 -7.757 6.286 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.058 -12.476 10.498 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.451 -12.851 10.098 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.817 -11.371 10.846 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.644 -12.222 8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -17.319 -10.835 9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.125 -9.553 9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -16.062 -9.448 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -17.135 -10.828 6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -18.902 -9.525 8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -17.831 -8.138 8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.793 -8.101 5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -18.826 -9.516 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -20.088 -7.499 5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -20.546 -8.265 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.545 -6.894 6.818 1.00 0.00 H new ATOM 25 N GLU A 2 -13.409 -9.991 9.136 1.00 0.00 N ATOM 26 CA GLU A 2 -12.061 -9.510 8.934 1.00 0.00 C ATOM 27 C GLU A 2 -11.109 -10.703 8.840 1.00 0.00 C ATOM 28 O GLU A 2 -10.816 -11.327 9.856 1.00 0.00 O ATOM 29 CB GLU A 2 -11.679 -8.581 10.094 1.00 0.00 C ATOM 30 CG GLU A 2 -10.221 -8.100 10.032 1.00 0.00 C ATOM 31 CD GLU A 2 -9.922 -7.076 11.122 1.00 0.00 C ATOM 32 OE1 GLU A 2 -10.307 -7.344 12.281 1.00 0.00 O ATOM 33 OE2 GLU A 2 -9.312 -6.043 10.775 1.00 0.00 O ATOM 0 H GLU A 2 -13.865 -9.583 9.952 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.993 -8.945 8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.341 -7.715 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.843 -9.102 11.037 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.551 -8.953 10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.023 -7.660 9.054 1.00 0.00 H new ATOM 40 N SER A 3 -10.597 -10.995 7.642 1.00 0.00 N ATOM 41 CA SER A 3 -9.598 -12.024 7.431 1.00 0.00 C ATOM 42 C SER A 3 -8.300 -11.301 7.089 1.00 0.00 C ATOM 43 O SER A 3 -7.662 -11.602 6.088 1.00 0.00 O ATOM 44 CB SER A 3 -10.090 -12.972 6.330 1.00 0.00 C ATOM 45 OG SER A 3 -9.359 -14.178 6.362 1.00 0.00 O ATOM 0 H SER A 3 -10.873 -10.513 6.787 1.00 0.00 H new ATOM 0 HA SER A 3 -9.423 -12.647 8.308 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.152 -13.178 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.979 -12.497 5.355 1.00 0.00 H new ATOM 0 HG SER A 3 -9.925 -14.912 6.045 1.00 0.00 H new ATOM 51 N ALA A 4 -7.961 -10.290 7.901 1.00 0.00 N ATOM 52 CA ALA A 4 -6.758 -9.468 7.833 1.00 0.00 C ATOM 53 C ALA A 4 -6.741 -8.519 6.635 1.00 0.00 C ATOM 54 O ALA A 4 -6.647 -7.298 6.784 1.00 0.00 O ATOM 55 CB ALA A 4 -5.525 -10.368 7.795 1.00 0.00 C ATOM 0 H ALA A 4 -8.566 -10.011 8.674 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.751 -8.844 8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.627 -9.753 7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.494 -10.981 8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.573 -11.014 6.918 1.00 0.00 H new ATOM 61 N ALA A 5 -6.824 -9.105 5.442 1.00 0.00 N ATOM 62 CA ALA A 5 -6.720 -8.443 4.156 1.00 0.00 C ATOM 63 C ALA A 5 -7.643 -7.237 4.065 1.00 0.00 C ATOM 64 O ALA A 5 -7.302 -6.263 3.411 1.00 0.00 O ATOM 65 CB ALA A 5 -7.016 -9.440 3.039 1.00 0.00 C ATOM 0 H ALA A 5 -6.974 -10.110 5.349 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.701 -8.073 4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.937 -8.939 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.298 -10.259 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.025 -9.835 3.161 1.00 0.00 H new ATOM 71 N ALA A 6 -8.794 -7.287 4.734 1.00 0.00 N ATOM 72 CA ALA A 6 -9.686 -6.143 4.843 1.00 0.00 C ATOM 73 C ALA A 6 -8.961 -4.928 5.432 1.00 0.00 C ATOM 74 O ALA A 6 -8.953 -3.855 4.833 1.00 0.00 O ATOM 75 CB ALA A 6 -10.907 -6.523 5.687 1.00 0.00 C ATOM 0 H ALA A 6 -9.130 -8.122 5.214 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.022 -5.863 3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.575 -5.665 5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.435 -7.350 5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.582 -6.825 6.683 1.00 0.00 H new ATOM 81 N LYS A 7 -8.334 -5.082 6.600 1.00 0.00 N ATOM 82 CA LYS A 7 -7.652 -3.971 7.251 1.00 0.00 C ATOM 83 C LYS A 7 -6.456 -3.537 6.406 1.00 0.00 C ATOM 84 O LYS A 7 -6.244 -2.344 6.185 1.00 0.00 O ATOM 85 CB LYS A 7 -7.234 -4.345 8.685 1.00 0.00 C ATOM 86 CG LYS A 7 -7.990 -3.512 9.732 1.00 0.00 C ATOM 87 CD LYS A 7 -7.586 -2.029 9.722 1.00 0.00 C ATOM 88 CE LYS A 7 -8.422 -1.259 10.751 1.00 0.00 C ATOM 89 NZ LYS A 7 -8.081 0.175 10.761 1.00 0.00 N ATOM 0 H LYS A 7 -8.287 -5.964 7.110 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.338 -3.128 7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.425 -5.404 8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.161 -4.192 8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.061 -3.593 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.804 -3.927 10.722 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.525 -1.929 9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.737 -1.608 8.728 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.481 -1.380 10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.258 -1.680 11.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.665 0.666 11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.076 0.291 11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.261 0.581 9.821 1.00 0.00 H new ATOM 103 N PHE A 8 -5.681 -4.517 5.928 1.00 0.00 N ATOM 104 CA PHE A 8 -4.557 -4.266 5.033 1.00 0.00 C ATOM 105 C PHE A 8 -5.002 -3.414 3.839 1.00 0.00 C ATOM 106 O PHE A 8 -4.397 -2.386 3.545 1.00 0.00 O ATOM 107 CB PHE A 8 -3.955 -5.596 4.567 1.00 0.00 C ATOM 108 CG PHE A 8 -2.721 -5.450 3.699 1.00 0.00 C ATOM 109 CD1 PHE A 8 -1.519 -4.989 4.265 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.761 -5.810 2.339 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.356 -4.910 3.480 1.00 0.00 C ATOM 112 CE2 PHE A 8 -1.594 -5.740 1.558 1.00 0.00 C ATOM 113 CZ PHE A 8 -0.385 -5.315 2.135 1.00 0.00 C ATOM 0 H PHE A 8 -5.819 -5.502 6.153 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.790 -3.710 5.572 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.701 -6.193 5.443 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.712 -6.150 4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.490 -4.695 5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.689 -6.140 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.561 -4.537 3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.627 -6.013 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.520 -5.300 1.546 1.00 0.00 H new ATOM 123 N GLU A 9 -6.083 -3.830 3.177 1.00 0.00 N ATOM 124 CA GLU A 9 -6.682 -3.142 2.048 1.00 0.00 C ATOM 125 C GLU A 9 -7.020 -1.714 2.459 1.00 0.00 C ATOM 126 O GLU A 9 -6.501 -0.769 1.872 1.00 0.00 O ATOM 127 CB GLU A 9 -7.894 -3.957 1.554 1.00 0.00 C ATOM 128 CG GLU A 9 -8.728 -3.311 0.437 1.00 0.00 C ATOM 129 CD GLU A 9 -9.734 -2.289 0.960 1.00 0.00 C ATOM 130 OE1 GLU A 9 -10.645 -2.718 1.701 1.00 0.00 O ATOM 131 OE2 GLU A 9 -9.576 -1.100 0.609 1.00 0.00 O ATOM 0 H GLU A 9 -6.578 -4.686 3.427 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.993 -3.066 1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.537 -4.924 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.548 -4.150 2.404 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.059 -2.824 -0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.260 -4.090 -0.109 1.00 0.00 H new ATOM 138 N ARG A 10 -7.857 -1.556 3.485 1.00 0.00 N ATOM 139 CA ARG A 10 -8.337 -0.256 3.920 1.00 0.00 C ATOM 140 C ARG A 10 -7.194 0.741 4.148 1.00 0.00 C ATOM 141 O ARG A 10 -7.343 1.914 3.813 1.00 0.00 O ATOM 142 CB ARG A 10 -9.201 -0.433 5.173 1.00 0.00 C ATOM 143 CG ARG A 10 -10.546 -1.085 4.819 1.00 0.00 C ATOM 144 CD ARG A 10 -11.332 -1.470 6.078 1.00 0.00 C ATOM 145 NE ARG A 10 -11.847 -0.289 6.786 1.00 0.00 N ATOM 146 CZ ARG A 10 -12.951 0.390 6.439 1.00 0.00 C ATOM 147 NH1 ARG A 10 -13.645 0.045 5.348 1.00 0.00 N ATOM 148 NH2 ARG A 10 -13.358 1.417 7.189 1.00 0.00 N ATOM 0 H ARG A 10 -8.219 -2.334 4.036 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.947 0.174 3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.673 -1.049 5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.373 0.536 5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.138 -0.397 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.372 -1.973 4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.163 -2.119 5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.689 -2.042 6.747 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.327 0.038 7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.336 -0.739 4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.483 0.566 5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.830 1.682 8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.197 1.937 6.930 1.00 0.00 H new ATOM 162 N GLN A 11 -6.067 0.301 4.724 1.00 0.00 N ATOM 163 CA GLN A 11 -4.958 1.208 5.011 1.00 0.00 C ATOM 164 C GLN A 11 -3.925 1.328 3.881 1.00 0.00 C ATOM 165 O GLN A 11 -3.300 2.382 3.755 1.00 0.00 O ATOM 166 CB GLN A 11 -4.297 0.845 6.345 1.00 0.00 C ATOM 167 CG GLN A 11 -3.478 -0.446 6.324 1.00 0.00 C ATOM 168 CD GLN A 11 -3.029 -0.808 7.735 1.00 0.00 C ATOM 169 OE1 GLN A 11 -2.314 -0.045 8.377 1.00 0.00 O ATOM 170 NE2 GLN A 11 -3.452 -1.963 8.240 1.00 0.00 N ATOM 0 H GLN A 11 -5.904 -0.668 4.996 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.398 2.202 5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.647 1.666 6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.072 0.755 7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.074 -1.257 5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.609 -0.323 5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.046 -2.577 7.682 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.183 -2.235 9.185 1.00 0.00 H new ATOM 179 N HIS A 12 -3.684 0.256 3.119 1.00 0.00 N ATOM 180 CA HIS A 12 -2.538 0.146 2.212 1.00 0.00 C ATOM 181 C HIS A 12 -2.921 0.068 0.727 1.00 0.00 C ATOM 182 O HIS A 12 -2.086 0.285 -0.150 1.00 0.00 O ATOM 183 CB HIS A 12 -1.707 -1.073 2.628 1.00 0.00 C ATOM 184 CG HIS A 12 -0.287 -0.987 2.147 1.00 0.00 C ATOM 185 ND1 HIS A 12 0.707 -0.197 2.697 1.00 0.00 N ATOM 186 CD2 HIS A 12 0.198 -1.570 1.013 1.00 0.00 C ATOM 187 CE1 HIS A 12 1.798 -0.336 1.924 1.00 0.00 C ATOM 188 NE2 HIS A 12 1.504 -1.143 0.887 1.00 0.00 N ATOM 0 H HIS A 12 -4.286 -0.568 3.115 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.956 1.063 2.303 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.715 -1.162 3.714 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.169 -1.977 2.231 1.00 0.00 H new ATOM 0 HD1 HIS A 12 0.627 0.382 3.533 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.334 -2.233 0.347 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.757 0.126 2.106 1.00 0.00 H new ATOM 0 HE2 HIS A 12 2.142 -1.397 0.133 1.00 0.00 H new ATOM 197 N MET A 13 -4.175 -0.248 0.412 1.00 0.00 N ATOM 198 CA MET A 13 -4.681 -0.126 -0.945 1.00 0.00 C ATOM 199 C MET A 13 -5.440 1.188 -1.055 1.00 0.00 C ATOM 200 O MET A 13 -5.862 1.758 -0.051 1.00 0.00 O ATOM 201 CB MET A 13 -5.557 -1.330 -1.303 1.00 0.00 C ATOM 202 CG MET A 13 -4.762 -2.641 -1.362 1.00 0.00 C ATOM 203 SD MET A 13 -5.746 -4.149 -1.581 1.00 0.00 S ATOM 204 CE MET A 13 -6.640 -3.743 -3.097 1.00 0.00 C ATOM 0 H MET A 13 -4.860 -0.592 1.085 1.00 0.00 H new ATOM 0 HA MET A 13 -3.858 -0.119 -1.660 1.00 0.00 H new ATOM 0 HB2 MET A 13 -6.355 -1.426 -0.567 1.00 0.00 H new ATOM 0 HB3 MET A 13 -6.033 -1.154 -2.268 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.047 -2.574 -2.182 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.185 -2.736 -0.442 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.154 -4.631 -3.465 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.370 -2.961 -2.890 1.00 0.00 H new ATOM 0 HE3 MET A 13 -5.936 -3.392 -3.852 1.00 0.00 H new ATOM 214 N ASP A 14 -5.599 1.683 -2.283 1.00 0.00 N ATOM 215 CA ASP A 14 -6.466 2.815 -2.553 1.00 0.00 C ATOM 216 C ASP A 14 -6.909 2.767 -4.010 1.00 0.00 C ATOM 217 O ASP A 14 -6.419 3.520 -4.845 1.00 0.00 O ATOM 218 CB ASP A 14 -5.782 4.142 -2.191 1.00 0.00 C ATOM 219 CG ASP A 14 -6.785 5.282 -2.044 1.00 0.00 C ATOM 220 OD1 ASP A 14 -7.468 5.592 -3.043 1.00 0.00 O ATOM 221 OD2 ASP A 14 -6.845 5.831 -0.922 1.00 0.00 O ATOM 0 H ASP A 14 -5.131 1.309 -3.109 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.353 2.753 -1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.230 4.023 -1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.054 4.397 -2.962 1.00 0.00 H new ATOM 226 N SER A 15 -7.823 1.849 -4.325 1.00 0.00 N ATOM 227 CA SER A 15 -8.434 1.810 -5.643 1.00 0.00 C ATOM 228 C SER A 15 -9.296 3.066 -5.792 1.00 0.00 C ATOM 229 O SER A 15 -10.398 3.126 -5.247 1.00 0.00 O ATOM 230 CB SER A 15 -9.242 0.518 -5.819 1.00 0.00 C ATOM 231 OG SER A 15 -9.556 0.341 -7.186 1.00 0.00 O ATOM 0 H SER A 15 -8.152 1.127 -3.684 1.00 0.00 H new ATOM 0 HA SER A 15 -7.678 1.804 -6.428 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.669 -0.334 -5.453 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.157 0.565 -5.228 1.00 0.00 H new ATOM 0 HG SER A 15 -10.071 -0.485 -7.299 1.00 0.00 H new ATOM 237 N GLY A 16 -8.768 4.086 -6.472 1.00 0.00 N ATOM 238 CA GLY A 16 -9.390 5.388 -6.616 1.00 0.00 C ATOM 239 C GLY A 16 -9.126 5.946 -8.010 1.00 0.00 C ATOM 240 O GLY A 16 -8.583 5.261 -8.880 1.00 0.00 O ATOM 0 H GLY A 16 -7.869 4.019 -6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.464 5.307 -6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.999 6.072 -5.863 1.00 0.00 H new ATOM 244 N ASN A 17 -9.540 7.195 -8.220 1.00 0.00 N ATOM 245 CA ASN A 17 -9.480 7.856 -9.513 1.00 0.00 C ATOM 246 C ASN A 17 -8.035 7.987 -9.997 1.00 0.00 C ATOM 247 O ASN A 17 -7.108 8.099 -9.199 1.00 0.00 O ATOM 248 CB ASN A 17 -10.178 9.221 -9.438 1.00 0.00 C ATOM 249 CG ASN A 17 -9.296 10.271 -8.767 1.00 0.00 C ATOM 250 OD1 ASN A 17 -9.115 10.259 -7.552 1.00 0.00 O ATOM 251 ND2 ASN A 17 -8.738 11.177 -9.561 1.00 0.00 N ATOM 0 H ASN A 17 -9.932 7.781 -7.482 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.008 7.244 -10.245 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.437 9.553 -10.443 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.112 9.122 -8.884 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.134 11.898 -9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.914 11.152 -10.565 1.00 0.00 H new ATOM 258 N SER A 18 -7.851 7.980 -11.316 1.00 0.00 N ATOM 259 CA SER A 18 -6.555 8.029 -11.970 1.00 0.00 C ATOM 260 C SER A 18 -5.766 9.305 -11.634 1.00 0.00 C ATOM 261 O SER A 18 -4.675 9.189 -11.077 1.00 0.00 O ATOM 262 CB SER A 18 -6.753 7.789 -13.474 1.00 0.00 C ATOM 263 OG SER A 18 -8.104 8.036 -13.840 1.00 0.00 O ATOM 0 H SER A 18 -8.628 7.939 -11.976 1.00 0.00 H new ATOM 0 HA SER A 18 -5.922 7.231 -11.583 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.090 8.441 -14.043 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.483 6.763 -13.724 1.00 0.00 H new ATOM 0 HG SER A 18 -8.216 7.881 -14.801 1.00 0.00 H new ATOM 269 N PRO A 19 -6.258 10.519 -11.955 1.00 0.00 N ATOM 270 CA PRO A 19 -5.575 11.755 -11.595 1.00 0.00 C ATOM 271 C PRO A 19 -5.674 11.983 -10.080 1.00 0.00 C ATOM 272 O PRO A 19 -6.496 12.761 -9.596 1.00 0.00 O ATOM 273 CB PRO A 19 -6.232 12.853 -12.438 1.00 0.00 C ATOM 274 CG PRO A 19 -7.643 12.323 -12.687 1.00 0.00 C ATOM 275 CD PRO A 19 -7.441 10.807 -12.755 1.00 0.00 C ATOM 0 HA PRO A 19 -4.506 11.736 -11.806 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.250 13.806 -11.910 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.695 13.016 -13.372 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.325 12.603 -11.884 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.063 12.715 -13.613 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.312 10.280 -12.366 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.304 10.478 -13.785 1.00 0.00 H new ATOM 283 N SER A 20 -4.841 11.254 -9.340 1.00 0.00 N ATOM 284 CA SER A 20 -4.736 11.248 -7.892 1.00 0.00 C ATOM 285 C SER A 20 -3.336 11.780 -7.554 1.00 0.00 C ATOM 286 O SER A 20 -3.020 12.930 -7.863 1.00 0.00 O ATOM 287 CB SER A 20 -5.044 9.807 -7.432 1.00 0.00 C ATOM 288 OG SER A 20 -4.646 9.496 -6.107 1.00 0.00 O ATOM 0 H SER A 20 -4.178 10.609 -9.771 1.00 0.00 H new ATOM 0 HA SER A 20 -5.441 11.890 -7.364 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.117 9.636 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.553 9.113 -8.114 1.00 0.00 H new ATOM 0 HG SER A 20 -5.264 9.915 -5.473 1.00 0.00 H new ATOM 294 N SER A 21 -2.517 10.940 -6.919 1.00 0.00 N ATOM 295 CA SER A 21 -1.074 11.065 -6.771 1.00 0.00 C ATOM 296 C SER A 21 -0.534 12.501 -6.692 1.00 0.00 C ATOM 297 O SER A 21 0.346 12.887 -7.456 1.00 0.00 O ATOM 298 CB SER A 21 -0.414 10.231 -7.878 1.00 0.00 C ATOM 299 OG SER A 21 -1.131 10.303 -9.101 1.00 0.00 O ATOM 0 H SER A 21 -2.873 10.099 -6.465 1.00 0.00 H new ATOM 0 HA SER A 21 -0.807 10.676 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.606 10.581 -8.035 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.348 9.191 -7.558 1.00 0.00 H new ATOM 0 HG SER A 21 -0.748 9.669 -9.743 1.00 0.00 H new ATOM 305 N SER A 22 -1.016 13.265 -5.710 1.00 0.00 N ATOM 306 CA SER A 22 -0.535 14.605 -5.408 1.00 0.00 C ATOM 307 C SER A 22 -0.346 14.721 -3.894 1.00 0.00 C ATOM 308 O SER A 22 -0.957 13.962 -3.139 1.00 0.00 O ATOM 309 CB SER A 22 -1.533 15.639 -5.943 1.00 0.00 C ATOM 310 OG SER A 22 -1.788 15.421 -7.318 1.00 0.00 O ATOM 0 H SER A 22 -1.767 12.958 -5.092 1.00 0.00 H new ATOM 0 HA SER A 22 0.423 14.796 -5.892 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.465 15.578 -5.381 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.137 16.644 -5.796 1.00 0.00 H new ATOM 0 HG SER A 22 -2.269 14.574 -7.431 1.00 0.00 H new ATOM 316 N SER A 23 0.501 15.647 -3.438 1.00 0.00 N ATOM 317 CA SER A 23 0.733 15.907 -2.020 1.00 0.00 C ATOM 318 C SER A 23 -0.608 16.113 -1.325 1.00 0.00 C ATOM 319 O SER A 23 -1.007 15.361 -0.436 1.00 0.00 O ATOM 320 CB SER A 23 1.605 17.160 -1.904 1.00 0.00 C ATOM 321 OG SER A 23 1.109 18.156 -2.788 1.00 0.00 O ATOM 0 H SER A 23 1.052 16.245 -4.055 1.00 0.00 H new ATOM 0 HA SER A 23 1.241 15.068 -1.544 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.597 17.530 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.640 16.922 -2.149 1.00 0.00 H new ATOM 0 HG SER A 23 1.663 18.962 -2.717 1.00 0.00 H new ATOM 327 N ASN A 24 -1.327 17.122 -1.815 1.00 0.00 N ATOM 328 CA ASN A 24 -2.668 17.448 -1.365 1.00 0.00 C ATOM 329 C ASN A 24 -3.587 16.236 -1.378 1.00 0.00 C ATOM 330 O ASN A 24 -4.353 16.062 -0.438 1.00 0.00 O ATOM 331 CB ASN A 24 -3.268 18.602 -2.181 1.00 0.00 C ATOM 332 CG ASN A 24 -2.949 19.956 -1.558 1.00 0.00 C ATOM 333 OD1 ASN A 24 -3.699 20.450 -0.724 1.00 0.00 O ATOM 334 ND2 ASN A 24 -1.837 20.574 -1.947 1.00 0.00 N ATOM 0 H ASN A 24 -0.983 17.743 -2.548 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.581 17.777 -0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.880 18.569 -3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.349 18.477 -2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.592 21.481 -1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.230 20.141 -2.643 1.00 0.00 H new ATOM 341 N TYR A 25 -3.512 15.384 -2.406 1.00 0.00 N ATOM 342 CA TYR A 25 -4.330 14.180 -2.445 1.00 0.00 C ATOM 343 C TYR A 25 -4.046 13.319 -1.218 1.00 0.00 C ATOM 344 O TYR A 25 -4.964 12.810 -0.588 1.00 0.00 O ATOM 345 CB TYR A 25 -4.079 13.359 -3.717 1.00 0.00 C ATOM 346 CG TYR A 25 -5.229 12.426 -4.055 1.00 0.00 C ATOM 347 CD1 TYR A 25 -5.403 11.224 -3.341 1.00 0.00 C ATOM 348 CD2 TYR A 25 -6.183 12.807 -5.016 1.00 0.00 C ATOM 349 CE1 TYR A 25 -6.516 10.406 -3.599 1.00 0.00 C ATOM 350 CE2 TYR A 25 -7.270 11.964 -5.305 1.00 0.00 C ATOM 351 CZ TYR A 25 -7.446 10.768 -4.589 1.00 0.00 C ATOM 352 OH TYR A 25 -8.434 9.898 -4.933 1.00 0.00 O ATOM 0 H TYR A 25 -2.898 15.509 -3.211 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.374 14.492 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.910 14.037 -4.554 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.168 12.774 -3.592 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.680 10.931 -2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.080 13.750 -5.533 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.657 9.496 -3.035 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.972 12.236 -6.079 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.751 10.104 -5.837 1.00 0.00 H new ATOM 362 N CYS A 26 -2.766 13.139 -0.894 1.00 0.00 N ATOM 363 CA CYS A 26 -2.371 12.240 0.185 1.00 0.00 C ATOM 364 C CYS A 26 -2.743 12.846 1.536 1.00 0.00 C ATOM 365 O CYS A 26 -3.410 12.193 2.337 1.00 0.00 O ATOM 366 CB CYS A 26 -0.884 11.914 0.105 1.00 0.00 C ATOM 367 SG CYS A 26 -0.277 10.961 1.512 1.00 0.00 S ATOM 0 H CYS A 26 -1.988 13.603 -1.363 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.913 11.301 0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.692 11.356 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.320 12.844 0.036 1.00 0.00 H new ATOM 372 N ASN A 27 -2.362 14.109 1.763 1.00 0.00 N ATOM 373 CA ASN A 27 -2.796 14.876 2.931 1.00 0.00 C ATOM 374 C ASN A 27 -4.315 14.733 3.107 1.00 0.00 C ATOM 375 O ASN A 27 -4.787 14.321 4.166 1.00 0.00 O ATOM 376 CB ASN A 27 -2.412 16.361 2.778 1.00 0.00 C ATOM 377 CG ASN A 27 -1.043 16.729 3.364 1.00 0.00 C ATOM 378 OD1 ASN A 27 0.005 16.367 2.835 1.00 0.00 O ATOM 379 ND2 ASN A 27 -1.036 17.500 4.451 1.00 0.00 N ATOM 0 H ASN A 27 -1.743 14.626 1.139 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.295 14.485 3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.420 16.618 1.719 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.175 16.972 3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.150 17.800 4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.917 17.790 4.876 1.00 0.00 H new ATOM 386 N LEU A 28 -5.078 15.064 2.062 1.00 0.00 N ATOM 387 CA LEU A 28 -6.533 15.016 2.060 1.00 0.00 C ATOM 388 C LEU A 28 -7.036 13.615 2.399 1.00 0.00 C ATOM 389 O LEU A 28 -7.847 13.458 3.305 1.00 0.00 O ATOM 390 CB LEU A 28 -7.071 15.479 0.697 1.00 0.00 C ATOM 391 CG LEU A 28 -8.596 15.357 0.542 1.00 0.00 C ATOM 392 CD1 LEU A 28 -9.350 16.210 1.569 1.00 0.00 C ATOM 393 CD2 LEU A 28 -8.988 15.794 -0.873 1.00 0.00 C ATOM 0 H LEU A 28 -4.686 15.380 1.175 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.904 15.693 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.784 16.519 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.590 14.894 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.872 14.317 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.424 16.092 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.084 15.887 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.079 17.258 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.068 15.711 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.684 16.828 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.492 15.154 -1.602 1.00 0.00 H new ATOM 405 N MET A 29 -6.590 12.597 1.664 1.00 0.00 N ATOM 406 CA MET A 29 -7.072 11.235 1.837 1.00 0.00 C ATOM 407 C MET A 29 -6.800 10.765 3.266 1.00 0.00 C ATOM 408 O MET A 29 -7.681 10.208 3.916 1.00 0.00 O ATOM 409 CB MET A 29 -6.430 10.318 0.784 1.00 0.00 C ATOM 410 CG MET A 29 -7.065 8.919 0.718 1.00 0.00 C ATOM 411 SD MET A 29 -8.348 8.652 -0.541 1.00 0.00 S ATOM 412 CE MET A 29 -9.616 9.845 -0.069 1.00 0.00 C ATOM 0 H MET A 29 -5.885 12.697 0.934 1.00 0.00 H new ATOM 0 HA MET A 29 -8.151 11.198 1.685 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.510 10.791 -0.195 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.367 10.216 1.003 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.269 8.194 0.549 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.497 8.697 1.694 1.00 0.00 H new ATOM 0 HE1 MET A 29 -10.533 9.639 -0.621 1.00 0.00 H new ATOM 0 HE2 MET A 29 -9.811 9.765 1.001 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.272 10.853 -0.301 1.00 0.00 H new ATOM 422 N MET A 30 -5.589 10.997 3.774 1.00 0.00 N ATOM 423 CA MET A 30 -5.234 10.565 5.115 1.00 0.00 C ATOM 424 C MET A 30 -5.933 11.406 6.196 1.00 0.00 C ATOM 425 O MET A 30 -6.216 10.912 7.291 1.00 0.00 O ATOM 426 CB MET A 30 -3.716 10.515 5.250 1.00 0.00 C ATOM 427 CG MET A 30 -3.119 9.482 4.289 1.00 0.00 C ATOM 428 SD MET A 30 -1.380 9.055 4.557 1.00 0.00 S ATOM 429 CE MET A 30 -1.492 8.172 6.129 1.00 0.00 C ATOM 0 H MET A 30 -4.843 11.481 3.274 1.00 0.00 H new ATOM 0 HA MET A 30 -5.604 9.553 5.279 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.295 11.499 5.041 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.446 10.264 6.276 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.711 8.569 4.356 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.227 9.858 3.271 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.556 7.647 6.319 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.679 8.883 6.933 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.309 7.452 6.084 1.00 0.00 H new ATOM 439 N CYS A 31 -6.255 12.669 5.898 1.00 0.00 N ATOM 440 CA CYS A 31 -7.127 13.470 6.753 1.00 0.00 C ATOM 441 C CYS A 31 -8.541 12.878 6.774 1.00 0.00 C ATOM 442 O CYS A 31 -9.106 12.670 7.842 1.00 0.00 O ATOM 443 CB CYS A 31 -7.141 14.930 6.300 1.00 0.00 C ATOM 444 SG CYS A 31 -8.353 15.812 7.310 1.00 0.00 S ATOM 0 H CYS A 31 -5.921 13.157 5.067 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.735 13.446 7.770 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.152 15.375 6.415 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.401 15.000 5.244 1.00 0.00 H new ATOM 0 HG CYS A 31 -7.846 16.055 8.482 1.00 0.00 H new ATOM 450 N CYS A 32 -9.098 12.547 5.607 1.00 0.00 N ATOM 451 CA CYS A 32 -10.411 11.917 5.467 1.00 0.00 C ATOM 452 C CYS A 32 -10.461 10.569 6.194 1.00 0.00 C ATOM 453 O CYS A 32 -11.432 10.261 6.880 1.00 0.00 O ATOM 454 CB CYS A 32 -10.753 11.760 3.983 1.00 0.00 C ATOM 455 SG CYS A 32 -12.346 10.917 3.838 1.00 0.00 S ATOM 0 H CYS A 32 -8.637 12.714 4.713 1.00 0.00 H new ATOM 0 HA CYS A 32 -11.158 12.560 5.932 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -10.797 12.736 3.501 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.976 11.189 3.475 1.00 0.00 H new ATOM 0 HG CYS A 32 -12.651 10.778 2.582 1.00 0.00 H new ATOM 461 N ARG A 33 -9.380 9.791 6.097 1.00 0.00 N ATOM 462 CA ARG A 33 -9.165 8.567 6.867 1.00 0.00 C ATOM 463 C ARG A 33 -9.089 8.842 8.380 1.00 0.00 C ATOM 464 O ARG A 33 -9.211 7.912 9.173 1.00 0.00 O ATOM 465 CB ARG A 33 -7.880 7.901 6.350 1.00 0.00 C ATOM 466 CG ARG A 33 -7.503 6.599 7.070 1.00 0.00 C ATOM 467 CD ARG A 33 -6.271 5.958 6.422 1.00 0.00 C ATOM 468 NE ARG A 33 -5.649 4.996 7.339 1.00 0.00 N ATOM 469 CZ ARG A 33 -4.466 4.399 7.137 1.00 0.00 C ATOM 470 NH1 ARG A 33 -3.853 4.500 5.952 1.00 0.00 N ATOM 471 NH2 ARG A 33 -3.910 3.699 8.132 1.00 0.00 N ATOM 0 H ARG A 33 -8.610 10.003 5.463 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.014 7.897 6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.997 7.692 5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.055 8.607 6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.302 6.804 8.121 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.341 5.903 7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.559 5.455 5.499 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.551 6.731 6.153 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.155 4.764 8.194 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.286 5.033 5.198 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.953 4.044 5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.386 3.624 9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.010 3.240 7.992 1.00 0.00 H new ATOM 485 N LYS A 34 -8.867 10.098 8.783 1.00 0.00 N ATOM 486 CA LYS A 34 -8.736 10.549 10.163 1.00 0.00 C ATOM 487 C LYS A 34 -7.440 10.019 10.783 1.00 0.00 C ATOM 488 O LYS A 34 -7.402 9.688 11.966 1.00 0.00 O ATOM 489 CB LYS A 34 -10.008 10.249 10.983 1.00 0.00 C ATOM 490 CG LYS A 34 -11.249 10.905 10.350 1.00 0.00 C ATOM 491 CD LYS A 34 -12.568 10.325 10.883 1.00 0.00 C ATOM 492 CE LYS A 34 -12.787 10.554 12.381 1.00 0.00 C ATOM 493 NZ LYS A 34 -12.847 11.989 12.712 1.00 0.00 N ATOM 0 H LYS A 34 -8.770 10.864 8.116 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.649 11.635 10.176 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.156 9.171 11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.881 10.614 12.002 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.225 11.978 10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.211 10.775 9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.397 10.769 10.333 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.590 9.254 10.682 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.713 10.070 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.979 10.085 12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.097 12.104 13.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.920 12.425 12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.567 12.452 12.121 1.00 0.00 H new ATOM 507 N MET A 35 -6.365 9.987 9.983 1.00 0.00 N ATOM 508 CA MET A 35 -5.023 9.591 10.407 1.00 0.00 C ATOM 509 C MET A 35 -4.008 10.735 10.302 1.00 0.00 C ATOM 510 O MET A 35 -2.953 10.656 10.925 1.00 0.00 O ATOM 511 CB MET A 35 -4.569 8.362 9.604 1.00 0.00 C ATOM 512 CG MET A 35 -5.006 7.062 10.292 1.00 0.00 C ATOM 513 SD MET A 35 -4.163 6.720 11.862 1.00 0.00 S ATOM 514 CE MET A 35 -4.869 5.111 12.276 1.00 0.00 C ATOM 0 H MET A 35 -6.411 10.244 8.997 1.00 0.00 H new ATOM 0 HA MET A 35 -5.071 9.330 11.464 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.989 8.405 8.599 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.484 8.374 9.497 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.080 7.105 10.473 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.831 6.229 9.611 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.450 4.762 13.220 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.951 5.202 12.371 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.633 4.396 11.488 1.00 0.00 H new ATOM 524 N THR A 36 -4.317 11.804 9.565 1.00 0.00 N ATOM 525 CA THR A 36 -3.480 12.999 9.475 1.00 0.00 C ATOM 526 C THR A 36 -4.183 14.127 10.224 1.00 0.00 C ATOM 527 O THR A 36 -4.481 15.179 9.663 1.00 0.00 O ATOM 528 CB THR A 36 -3.156 13.298 8.008 1.00 0.00 C ATOM 529 OG1 THR A 36 -2.563 12.138 7.466 1.00 0.00 O ATOM 530 CG2 THR A 36 -2.152 14.431 7.781 1.00 0.00 C ATOM 0 H THR A 36 -5.168 11.863 9.006 1.00 0.00 H new ATOM 0 HA THR A 36 -2.510 12.861 9.953 1.00 0.00 H new ATOM 0 HB THR A 36 -4.096 13.599 7.546 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.063 12.374 6.657 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.990 14.565 6.711 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.544 15.355 8.207 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.207 14.181 8.263 1.00 0.00 H new ATOM 538 N GLN A 37 -4.473 13.866 11.501 1.00 0.00 N ATOM 539 CA GLN A 37 -4.996 14.848 12.442 1.00 0.00 C ATOM 540 C GLN A 37 -3.960 15.125 13.534 1.00 0.00 C ATOM 541 O GLN A 37 -2.964 15.782 13.251 1.00 0.00 O ATOM 542 CB GLN A 37 -6.376 14.411 12.963 1.00 0.00 C ATOM 543 CG GLN A 37 -7.453 14.581 11.881 1.00 0.00 C ATOM 544 CD GLN A 37 -7.718 16.057 11.590 1.00 0.00 C ATOM 545 OE1 GLN A 37 -7.203 16.623 10.631 1.00 0.00 O ATOM 546 NE2 GLN A 37 -8.491 16.719 12.445 1.00 0.00 N ATOM 0 H GLN A 37 -4.346 12.942 11.915 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.166 15.802 11.943 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.335 13.369 13.280 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.641 15.001 13.840 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.136 14.079 10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.376 14.100 12.205 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.910 16.231 13.236 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.665 17.715 12.310 1.00 0.00 H new ATOM 555 N GLY A 38 -4.182 14.655 14.769 1.00 0.00 N ATOM 556 CA GLY A 38 -3.368 15.002 15.934 1.00 0.00 C ATOM 557 C GLY A 38 -1.867 14.927 15.650 1.00 0.00 C ATOM 558 O GLY A 38 -1.108 15.813 16.039 1.00 0.00 O ATOM 0 H GLY A 38 -4.945 14.013 14.986 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.621 16.010 16.262 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.612 14.329 16.756 1.00 0.00 H new ATOM 562 N LYS A 39 -1.458 13.862 14.961 1.00 0.00 N ATOM 563 CA LYS A 39 -0.149 13.722 14.351 1.00 0.00 C ATOM 564 C LYS A 39 -0.375 13.099 12.977 1.00 0.00 C ATOM 565 O LYS A 39 -1.515 12.830 12.596 1.00 0.00 O ATOM 566 CB LYS A 39 0.808 12.916 15.247 1.00 0.00 C ATOM 567 CG LYS A 39 1.696 13.846 16.086 1.00 0.00 C ATOM 568 CD LYS A 39 2.833 14.448 15.242 1.00 0.00 C ATOM 569 CE LYS A 39 3.477 15.654 15.935 1.00 0.00 C ATOM 570 NZ LYS A 39 4.036 15.305 17.252 1.00 0.00 N ATOM 0 H LYS A 39 -2.054 13.048 14.811 1.00 0.00 H new ATOM 0 HA LYS A 39 0.345 14.686 14.233 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.233 12.266 15.906 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.433 12.271 14.629 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.090 14.648 16.507 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.117 13.291 16.924 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.591 13.687 15.057 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.443 14.752 14.271 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.268 16.056 15.301 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.733 16.442 16.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.535 16.128 17.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.266 15.026 17.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.703 14.514 17.148 1.00 0.00 H new ATOM 584 N CYS A 40 0.716 12.907 12.238 1.00 0.00 N ATOM 585 CA CYS A 40 0.715 12.575 10.825 1.00 0.00 C ATOM 586 C CYS A 40 1.689 11.423 10.637 1.00 0.00 C ATOM 587 O CYS A 40 2.781 11.450 11.203 1.00 0.00 O ATOM 588 CB CYS A 40 1.158 13.821 10.053 1.00 0.00 C ATOM 589 SG CYS A 40 0.100 15.261 10.352 1.00 0.00 S ATOM 0 H CYS A 40 1.656 12.982 12.626 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.267 12.275 10.460 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.183 14.067 10.331 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.162 13.597 8.986 1.00 0.00 H new ATOM 594 N LYS A 41 1.282 10.385 9.905 1.00 0.00 N ATOM 595 CA LYS A 41 2.107 9.199 9.728 1.00 0.00 C ATOM 596 C LYS A 41 3.379 9.557 8.941 1.00 0.00 C ATOM 597 O LYS A 41 3.364 10.505 8.157 1.00 0.00 O ATOM 598 CB LYS A 41 1.295 8.103 9.023 1.00 0.00 C ATOM 599 CG LYS A 41 0.458 7.225 9.966 1.00 0.00 C ATOM 600 CD LYS A 41 -0.700 7.947 10.671 1.00 0.00 C ATOM 601 CE LYS A 41 -0.337 8.442 12.077 1.00 0.00 C ATOM 602 NZ LYS A 41 -1.495 9.078 12.729 1.00 0.00 N ATOM 0 H LYS A 41 0.383 10.346 9.426 1.00 0.00 H new ATOM 0 HA LYS A 41 2.415 8.816 10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.630 8.571 8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.979 7.464 8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.051 6.390 9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.117 6.802 10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.014 8.796 10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.553 7.272 10.740 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.011 7.605 12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.486 9.154 12.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.165 9.690 13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.015 9.650 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.124 8.344 13.113 1.00 0.00 H new ATOM 616 N PRO A 42 4.478 8.813 9.140 1.00 0.00 N ATOM 617 CA PRO A 42 5.736 9.086 8.472 1.00 0.00 C ATOM 618 C PRO A 42 5.694 8.652 7.005 1.00 0.00 C ATOM 619 O PRO A 42 6.104 9.412 6.133 1.00 0.00 O ATOM 620 CB PRO A 42 6.794 8.320 9.272 1.00 0.00 C ATOM 621 CG PRO A 42 6.021 7.147 9.875 1.00 0.00 C ATOM 622 CD PRO A 42 4.629 7.737 10.110 1.00 0.00 C ATOM 0 HA PRO A 42 5.960 10.152 8.445 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.607 7.976 8.633 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.240 8.945 10.046 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.989 6.294 9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.474 6.800 10.803 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.857 6.980 9.975 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.532 8.114 11.128 1.00 0.00 H new ATOM 630 N VAL A 43 5.251 7.422 6.729 1.00 0.00 N ATOM 631 CA VAL A 43 5.277 6.817 5.404 1.00 0.00 C ATOM 632 C VAL A 43 4.077 5.879 5.269 1.00 0.00 C ATOM 633 O VAL A 43 3.697 5.240 6.250 1.00 0.00 O ATOM 634 CB VAL A 43 6.594 6.035 5.210 1.00 0.00 C ATOM 635 CG1 VAL A 43 6.591 5.201 3.919 1.00 0.00 C ATOM 636 CG2 VAL A 43 7.825 6.953 5.199 1.00 0.00 C ATOM 0 H VAL A 43 4.856 6.808 7.442 1.00 0.00 H new ATOM 0 HA VAL A 43 5.222 7.592 4.639 1.00 0.00 H new ATOM 0 HB VAL A 43 6.658 5.367 6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.538 4.669 3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.773 4.482 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.460 5.860 3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.725 6.354 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.737 7.670 4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.888 7.488 6.147 1.00 0.00 H new ATOM 646 N ASN A 44 3.510 5.772 4.063 1.00 0.00 N ATOM 647 CA ASN A 44 2.574 4.715 3.692 1.00 0.00 C ATOM 648 C ASN A 44 2.494 4.669 2.169 1.00 0.00 C ATOM 649 O ASN A 44 2.698 5.695 1.524 1.00 0.00 O ATOM 650 CB ASN A 44 1.181 4.929 4.299 1.00 0.00 C ATOM 651 CG ASN A 44 0.250 3.748 4.009 1.00 0.00 C ATOM 652 OD1 ASN A 44 0.694 2.617 3.805 1.00 0.00 O ATOM 653 ND2 ASN A 44 -1.052 4.007 3.985 1.00 0.00 N ATOM 0 H ASN A 44 3.694 6.431 3.307 1.00 0.00 H new ATOM 0 HA ASN A 44 2.937 3.767 4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.271 5.066 5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.745 5.843 3.897 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.718 3.258 3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.387 4.955 4.158 1.00 0.00 H new ATOM 660 N THR A 45 2.196 3.505 1.594 1.00 0.00 N ATOM 661 CA THR A 45 2.073 3.336 0.155 1.00 0.00 C ATOM 662 C THR A 45 0.659 2.872 -0.150 1.00 0.00 C ATOM 663 O THR A 45 0.156 1.973 0.515 1.00 0.00 O ATOM 664 CB THR A 45 3.147 2.369 -0.364 1.00 0.00 C ATOM 665 OG1 THR A 45 4.414 2.921 -0.064 1.00 0.00 O ATOM 666 CG2 THR A 45 3.026 2.129 -1.875 1.00 0.00 C ATOM 0 H THR A 45 2.033 2.648 2.122 1.00 0.00 H new ATOM 0 HA THR A 45 2.242 4.279 -0.364 1.00 0.00 H new ATOM 0 HB THR A 45 3.015 1.402 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.916 3.059 -0.894 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.806 1.439 -2.197 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.048 1.702 -2.098 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.138 3.076 -2.404 1.00 0.00 H new ATOM 674 N PHE A 46 0.028 3.510 -1.138 1.00 0.00 N ATOM 675 CA PHE A 46 -1.350 3.276 -1.518 1.00 0.00 C ATOM 676 C PHE A 46 -1.398 2.564 -2.868 1.00 0.00 C ATOM 677 O PHE A 46 -1.212 3.186 -3.919 1.00 0.00 O ATOM 678 CB PHE A 46 -2.089 4.611 -1.542 1.00 0.00 C ATOM 679 CG PHE A 46 -2.231 5.238 -0.172 1.00 0.00 C ATOM 680 CD1 PHE A 46 -3.133 4.683 0.754 1.00 0.00 C ATOM 681 CD2 PHE A 46 -1.425 6.331 0.199 1.00 0.00 C ATOM 682 CE1 PHE A 46 -3.290 5.271 2.019 1.00 0.00 C ATOM 683 CE2 PHE A 46 -1.577 6.915 1.467 1.00 0.00 C ATOM 684 CZ PHE A 46 -2.522 6.394 2.369 1.00 0.00 C ATOM 0 H PHE A 46 0.483 4.223 -1.707 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.845 2.629 -0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.558 5.301 -2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.080 4.463 -1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.704 3.805 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.691 6.720 -0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.000 4.861 2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.970 7.762 1.749 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.658 6.859 3.334 1.00 0.00 H new ATOM 694 N VAL A 47 -1.642 1.254 -2.827 1.00 0.00 N ATOM 695 CA VAL A 47 -1.737 0.408 -4.007 1.00 0.00 C ATOM 696 C VAL A 47 -3.082 0.648 -4.705 1.00 0.00 C ATOM 697 O VAL A 47 -4.133 0.223 -4.223 1.00 0.00 O ATOM 698 CB VAL A 47 -1.536 -1.064 -3.603 1.00 0.00 C ATOM 699 CG1 VAL A 47 -1.684 -2.002 -4.808 1.00 0.00 C ATOM 700 CG2 VAL A 47 -0.153 -1.275 -2.969 1.00 0.00 C ATOM 0 H VAL A 47 -1.781 0.746 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.952 0.660 -4.720 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.310 -1.302 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.536 -3.033 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.682 -1.894 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.939 -1.746 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.036 -2.323 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.621 -1.000 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.062 -0.652 -2.079 1.00 0.00 H new ATOM 710 N HIS A 48 -3.057 1.324 -5.856 1.00 0.00 N ATOM 711 CA HIS A 48 -4.243 1.560 -6.666 1.00 0.00 C ATOM 712 C HIS A 48 -4.517 0.323 -7.528 1.00 0.00 C ATOM 713 O HIS A 48 -4.247 0.338 -8.727 1.00 0.00 O ATOM 714 CB HIS A 48 -4.050 2.824 -7.520 1.00 0.00 C ATOM 715 CG HIS A 48 -3.993 4.121 -6.741 1.00 0.00 C ATOM 716 ND1 HIS A 48 -3.260 4.367 -5.591 1.00 0.00 N ATOM 717 CD2 HIS A 48 -4.705 5.254 -7.035 1.00 0.00 C ATOM 718 CE1 HIS A 48 -3.551 5.617 -5.185 1.00 0.00 C ATOM 719 NE2 HIS A 48 -4.411 6.181 -6.054 1.00 0.00 N ATOM 0 H HIS A 48 -2.205 1.723 -6.250 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.110 1.728 -6.027 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.128 2.720 -8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.866 2.886 -8.240 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -2.617 3.719 -5.135 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.370 5.395 -7.874 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.156 6.093 -4.300 1.00 0.00 H new ATOM 728 N GLU A 49 -5.034 -0.749 -6.915 1.00 0.00 N ATOM 729 CA GLU A 49 -5.414 -1.983 -7.604 1.00 0.00 C ATOM 730 C GLU A 49 -6.700 -2.563 -7.001 1.00 0.00 C ATOM 731 O GLU A 49 -7.020 -2.291 -5.845 1.00 0.00 O ATOM 732 CB GLU A 49 -4.250 -2.986 -7.535 1.00 0.00 C ATOM 733 CG GLU A 49 -4.473 -4.221 -8.423 1.00 0.00 C ATOM 734 CD GLU A 49 -3.254 -5.140 -8.491 1.00 0.00 C ATOM 735 OE1 GLU A 49 -2.397 -5.034 -7.588 1.00 0.00 O ATOM 736 OE2 GLU A 49 -3.204 -5.932 -9.458 1.00 0.00 O ATOM 0 H GLU A 49 -5.202 -0.781 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.620 -1.767 -8.652 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.329 -2.488 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.114 -3.307 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.325 -4.785 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.731 -3.895 -9.431 1.00 0.00 H new ATOM 743 N SER A 50 -7.428 -3.362 -7.785 1.00 0.00 N ATOM 744 CA SER A 50 -8.683 -3.993 -7.395 1.00 0.00 C ATOM 745 C SER A 50 -8.442 -5.342 -6.708 1.00 0.00 C ATOM 746 O SER A 50 -7.587 -6.120 -7.133 1.00 0.00 O ATOM 747 CB SER A 50 -9.549 -4.177 -8.645 1.00 0.00 C ATOM 748 OG SER A 50 -9.652 -2.943 -9.330 1.00 0.00 O ATOM 0 H SER A 50 -7.148 -3.592 -8.738 1.00 0.00 H new ATOM 0 HA SER A 50 -9.195 -3.352 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.110 -4.932 -9.297 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.540 -4.534 -8.365 1.00 0.00 H new ATOM 0 HG SER A 50 -10.204 -3.059 -10.131 1.00 0.00 H new ATOM 754 N LEU A 51 -9.226 -5.636 -5.664 1.00 0.00 N ATOM 755 CA LEU A 51 -9.084 -6.824 -4.827 1.00 0.00 C ATOM 756 C LEU A 51 -8.957 -8.102 -5.659 1.00 0.00 C ATOM 757 O LEU A 51 -8.036 -8.884 -5.447 1.00 0.00 O ATOM 758 CB LEU A 51 -10.256 -6.880 -3.831 1.00 0.00 C ATOM 759 CG LEU A 51 -10.174 -7.938 -2.711 1.00 0.00 C ATOM 760 CD1 LEU A 51 -10.506 -9.362 -3.175 1.00 0.00 C ATOM 761 CD2 LEU A 51 -8.831 -7.914 -1.973 1.00 0.00 C ATOM 0 H LEU A 51 -9.997 -5.035 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.154 -6.755 -4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.351 -5.900 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.172 -7.055 -4.395 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.954 -7.646 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.426 -10.047 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.522 -9.389 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.806 -9.663 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.829 -8.679 -1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.024 -8.112 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.683 -6.934 -1.518 1.00 0.00 H new ATOM 773 N ALA A 52 -9.862 -8.315 -6.619 1.00 0.00 N ATOM 774 CA ALA A 52 -9.832 -9.493 -7.478 1.00 0.00 C ATOM 775 C ALA A 52 -8.461 -9.671 -8.141 1.00 0.00 C ATOM 776 O ALA A 52 -7.895 -10.764 -8.134 1.00 0.00 O ATOM 777 CB ALA A 52 -10.940 -9.394 -8.531 1.00 0.00 C ATOM 0 H ALA A 52 -10.631 -7.676 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.007 -10.374 -6.860 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.914 -10.276 -9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.909 -9.334 -8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.787 -8.501 -9.138 1.00 0.00 H new ATOM 783 N ASP A 53 -7.911 -8.586 -8.689 1.00 0.00 N ATOM 784 CA ASP A 53 -6.604 -8.612 -9.323 1.00 0.00 C ATOM 785 C ASP A 53 -5.543 -8.939 -8.276 1.00 0.00 C ATOM 786 O ASP A 53 -4.687 -9.787 -8.515 1.00 0.00 O ATOM 787 CB ASP A 53 -6.313 -7.280 -10.023 1.00 0.00 C ATOM 788 CG ASP A 53 -7.231 -7.056 -11.219 1.00 0.00 C ATOM 789 OD1 ASP A 53 -8.392 -6.661 -10.973 1.00 0.00 O ATOM 790 OD2 ASP A 53 -6.758 -7.285 -12.352 1.00 0.00 O ATOM 0 H ASP A 53 -8.362 -7.671 -8.703 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.587 -9.387 -10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.435 -6.462 -9.313 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.275 -7.263 -10.354 1.00 0.00 H new ATOM 795 N VAL A 54 -5.619 -8.306 -7.101 1.00 0.00 N ATOM 796 CA VAL A 54 -4.690 -8.602 -6.015 1.00 0.00 C ATOM 797 C VAL A 54 -4.769 -10.092 -5.636 1.00 0.00 C ATOM 798 O VAL A 54 -3.752 -10.704 -5.324 1.00 0.00 O ATOM 799 CB VAL A 54 -4.925 -7.679 -4.806 1.00 0.00 C ATOM 800 CG1 VAL A 54 -4.000 -8.057 -3.643 1.00 0.00 C ATOM 801 CG2 VAL A 54 -4.658 -6.215 -5.169 1.00 0.00 C ATOM 0 H VAL A 54 -6.311 -7.590 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.676 -8.403 -6.362 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.967 -7.802 -4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.184 -7.391 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.196 -9.086 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.961 -7.963 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.832 -5.586 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.624 -6.104 -5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.328 -5.912 -5.974 1.00 0.00 H new ATOM 811 N LYS A 55 -5.960 -10.697 -5.659 1.00 0.00 N ATOM 812 CA LYS A 55 -6.122 -12.111 -5.365 1.00 0.00 C ATOM 813 C LYS A 55 -5.580 -12.998 -6.487 1.00 0.00 C ATOM 814 O LYS A 55 -4.955 -14.017 -6.205 1.00 0.00 O ATOM 815 CB LYS A 55 -7.589 -12.421 -5.037 1.00 0.00 C ATOM 816 CG LYS A 55 -7.853 -12.297 -3.531 1.00 0.00 C ATOM 817 CD LYS A 55 -7.276 -13.484 -2.736 1.00 0.00 C ATOM 818 CE LYS A 55 -8.328 -14.547 -2.396 1.00 0.00 C ATOM 819 NZ LYS A 55 -8.948 -15.127 -3.600 1.00 0.00 N ATOM 0 H LYS A 55 -6.832 -10.217 -5.882 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.524 -12.344 -4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.240 -11.737 -5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.835 -13.429 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.415 -11.369 -3.163 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.927 -12.234 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.475 -13.946 -3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.831 -13.113 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.863 -15.341 -1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.102 -14.102 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.627 -15.863 -3.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.444 -14.381 -4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.211 -15.546 -4.202 1.00 0.00 H new ATOM 833 N ALA A 56 -5.774 -12.629 -7.756 1.00 0.00 N ATOM 834 CA ALA A 56 -5.090 -13.329 -8.838 1.00 0.00 C ATOM 835 C ALA A 56 -3.580 -13.305 -8.571 1.00 0.00 C ATOM 836 O ALA A 56 -2.929 -14.347 -8.507 1.00 0.00 O ATOM 837 CB ALA A 56 -5.446 -12.702 -10.191 1.00 0.00 C ATOM 0 H ALA A 56 -6.385 -11.867 -8.052 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.416 -14.368 -8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.927 -13.236 -10.987 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.522 -12.768 -10.351 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.142 -11.655 -10.198 1.00 0.00 H new ATOM 843 N VAL A 57 -3.049 -12.102 -8.351 1.00 0.00 N ATOM 844 CA VAL A 57 -1.664 -11.843 -7.987 1.00 0.00 C ATOM 845 C VAL A 57 -1.205 -12.714 -6.805 1.00 0.00 C ATOM 846 O VAL A 57 -0.146 -13.337 -6.888 1.00 0.00 O ATOM 847 CB VAL A 57 -1.516 -10.332 -7.739 1.00 0.00 C ATOM 848 CG1 VAL A 57 -0.265 -9.984 -6.937 1.00 0.00 C ATOM 849 CG2 VAL A 57 -1.498 -9.555 -9.062 1.00 0.00 C ATOM 0 H VAL A 57 -3.600 -11.247 -8.426 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.997 -12.128 -8.801 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.385 -10.039 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.214 -8.905 -6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.306 -10.478 -5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.619 -10.320 -7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.392 -8.490 -8.857 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.659 -9.892 -9.671 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.430 -9.730 -9.600 1.00 0.00 H new ATOM 859 N CYS A 58 -1.998 -12.786 -5.727 1.00 0.00 N ATOM 860 CA CYS A 58 -1.721 -13.601 -4.539 1.00 0.00 C ATOM 861 C CYS A 58 -1.290 -15.011 -4.931 1.00 0.00 C ATOM 862 O CYS A 58 -0.392 -15.589 -4.320 1.00 0.00 O ATOM 863 CB CYS A 58 -2.955 -13.679 -3.630 1.00 0.00 C ATOM 864 SG CYS A 58 -2.795 -14.639 -2.098 1.00 0.00 S ATOM 0 H CYS A 58 -2.872 -12.265 -5.657 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.907 -13.121 -3.996 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.243 -12.662 -3.363 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.776 -14.101 -4.210 1.00 0.00 H new ATOM 869 N SER A 59 -1.927 -15.538 -5.979 1.00 0.00 N ATOM 870 CA SER A 59 -1.721 -16.891 -6.457 1.00 0.00 C ATOM 871 C SER A 59 -1.041 -16.930 -7.826 1.00 0.00 C ATOM 872 O SER A 59 -1.208 -17.918 -8.538 1.00 0.00 O ATOM 873 CB SER A 59 -3.083 -17.588 -6.501 1.00 0.00 C ATOM 874 OG SER A 59 -3.700 -17.528 -5.226 1.00 0.00 O ATOM 0 H SER A 59 -2.614 -15.018 -6.525 1.00 0.00 H new ATOM 0 HA SER A 59 -1.047 -17.410 -5.775 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.721 -17.111 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.959 -18.627 -6.806 1.00 0.00 H new ATOM 0 HG SER A 59 -4.572 -17.975 -5.263 1.00 0.00 H new ATOM 880 N GLN A 60 -0.275 -15.898 -8.200 1.00 0.00 N ATOM 881 CA GLN A 60 0.409 -15.905 -9.490 1.00 0.00 C ATOM 882 C GLN A 60 1.691 -16.734 -9.397 1.00 0.00 C ATOM 883 O GLN A 60 1.804 -17.768 -10.051 1.00 0.00 O ATOM 884 CB GLN A 60 0.525 -14.497 -10.107 1.00 0.00 C ATOM 885 CG GLN A 60 1.664 -13.587 -9.621 1.00 0.00 C ATOM 886 CD GLN A 60 3.002 -13.859 -10.315 1.00 0.00 C ATOM 887 OE1 GLN A 60 3.094 -14.660 -11.238 1.00 0.00 O ATOM 888 NE2 GLN A 60 4.055 -13.185 -9.873 1.00 0.00 N ATOM 0 H GLN A 60 -0.117 -15.063 -7.636 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.199 -16.419 -10.234 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.628 -14.613 -11.186 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.416 -13.977 -9.930 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.383 -12.547 -9.786 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.788 -13.717 -8.546 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.951 -12.524 -9.103 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.969 -13.327 -10.303 1.00 0.00 H new ATOM 897 N LYS A 61 2.628 -16.319 -8.539 1.00 0.00 N ATOM 898 CA LYS A 61 3.847 -17.060 -8.257 1.00 0.00 C ATOM 899 C LYS A 61 4.529 -16.501 -7.018 1.00 0.00 C ATOM 900 O LYS A 61 5.217 -15.483 -7.069 1.00 0.00 O ATOM 901 CB LYS A 61 4.797 -17.025 -9.453 1.00 0.00 C ATOM 902 CG LYS A 61 6.038 -17.905 -9.244 1.00 0.00 C ATOM 903 CD LYS A 61 6.874 -18.034 -10.525 1.00 0.00 C ATOM 904 CE LYS A 61 6.214 -18.970 -11.547 1.00 0.00 C ATOM 905 NZ LYS A 61 7.068 -19.157 -12.733 1.00 0.00 N ATOM 0 H LYS A 61 2.554 -15.446 -8.017 1.00 0.00 H new ATOM 0 HA LYS A 61 3.579 -18.100 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.266 -17.358 -10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.111 -15.997 -9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.654 -17.481 -8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.728 -18.896 -8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.010 -17.049 -10.970 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.866 -18.411 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.016 -19.936 -11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.251 -18.559 -11.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.594 -19.794 -13.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.236 -18.237 -13.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.977 -19.572 -12.444 1.00 0.00 H new ATOM 919 N LYS A 62 4.331 -17.194 -5.902 1.00 0.00 N ATOM 920 CA LYS A 62 5.108 -16.974 -4.696 1.00 0.00 C ATOM 921 C LYS A 62 6.561 -17.419 -4.923 1.00 0.00 C ATOM 922 O LYS A 62 6.808 -18.386 -5.643 1.00 0.00 O ATOM 923 CB LYS A 62 4.427 -17.692 -3.518 1.00 0.00 C ATOM 924 CG LYS A 62 4.257 -16.733 -2.338 1.00 0.00 C ATOM 925 CD LYS A 62 3.504 -17.337 -1.142 1.00 0.00 C ATOM 926 CE LYS A 62 2.024 -17.639 -1.428 1.00 0.00 C ATOM 927 NZ LYS A 62 1.816 -19.015 -1.917 1.00 0.00 N ATOM 0 H LYS A 62 3.625 -17.925 -5.812 1.00 0.00 H new ATOM 0 HA LYS A 62 5.146 -15.913 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.454 -18.073 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.024 -18.552 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.242 -16.405 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.724 -15.846 -2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.001 -18.259 -0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.568 -16.649 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.443 -17.488 -0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.648 -16.932 -2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.115 -19.008 -2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.716 -19.397 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.470 -19.612 -1.138 1.00 0.00 H new ATOM 941 N VAL A 63 7.511 -16.689 -4.334 1.00 0.00 N ATOM 942 CA VAL A 63 8.949 -16.885 -4.437 1.00 0.00 C ATOM 943 C VAL A 63 9.543 -16.871 -3.018 1.00 0.00 C ATOM 944 O VAL A 63 9.042 -17.587 -2.149 1.00 0.00 O ATOM 945 CB VAL A 63 9.556 -15.856 -5.420 1.00 0.00 C ATOM 946 CG1 VAL A 63 9.113 -16.158 -6.858 1.00 0.00 C ATOM 947 CG2 VAL A 63 9.178 -14.399 -5.103 1.00 0.00 C ATOM 0 H VAL A 63 7.276 -15.897 -3.736 1.00 0.00 H new ATOM 0 HA VAL A 63 9.201 -17.855 -4.866 1.00 0.00 H new ATOM 0 HB VAL A 63 10.636 -15.955 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.550 -15.424 -7.535 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.448 -17.156 -7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.026 -16.109 -6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.640 -13.736 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.095 -14.287 -5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.531 -14.140 -4.105 1.00 0.00 H new ATOM 957 N THR A 64 10.585 -16.069 -2.774 1.00 0.00 N ATOM 958 CA THR A 64 11.224 -15.896 -1.475 1.00 0.00 C ATOM 959 C THR A 64 11.540 -14.405 -1.303 1.00 0.00 C ATOM 960 O THR A 64 12.232 -13.851 -2.156 1.00 0.00 O ATOM 961 CB THR A 64 12.493 -16.758 -1.430 1.00 0.00 C ATOM 962 OG1 THR A 64 12.209 -18.070 -1.879 1.00 0.00 O ATOM 963 CG2 THR A 64 13.075 -16.849 -0.019 1.00 0.00 C ATOM 0 H THR A 64 11.018 -15.505 -3.505 1.00 0.00 H new ATOM 0 HA THR A 64 10.576 -16.214 -0.658 1.00 0.00 H new ATOM 0 HB THR A 64 13.224 -16.278 -2.081 1.00 0.00 H new ATOM 0 HG1 THR A 64 13.026 -18.611 -1.848 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.972 -17.469 -0.035 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.330 -15.850 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.339 -17.294 0.650 1.00 0.00 H new ATOM 971 N CYS A 65 11.061 -13.738 -0.241 1.00 0.00 N ATOM 972 CA CYS A 65 11.503 -12.376 0.040 1.00 0.00 C ATOM 973 C CYS A 65 12.967 -12.409 0.480 1.00 0.00 C ATOM 974 O CYS A 65 13.475 -13.435 0.926 1.00 0.00 O ATOM 975 CB CYS A 65 10.679 -11.710 1.147 1.00 0.00 C ATOM 976 SG CYS A 65 9.252 -10.692 0.695 1.00 0.00 S ATOM 0 H CYS A 65 10.382 -14.115 0.421 1.00 0.00 H new ATOM 0 HA CYS A 65 11.373 -11.795 -0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.323 -12.498 1.810 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.356 -11.085 1.729 1.00 0.00 H new ATOM 981 N LYS A 66 13.632 -11.253 0.425 1.00 0.00 N ATOM 982 CA LYS A 66 15.041 -11.126 0.794 1.00 0.00 C ATOM 983 C LYS A 66 15.291 -11.555 2.246 1.00 0.00 C ATOM 984 O LYS A 66 16.350 -12.094 2.557 1.00 0.00 O ATOM 985 CB LYS A 66 15.545 -9.695 0.528 1.00 0.00 C ATOM 986 CG LYS A 66 16.610 -9.661 -0.576 1.00 0.00 C ATOM 987 CD LYS A 66 17.937 -10.274 -0.101 1.00 0.00 C ATOM 988 CE LYS A 66 18.953 -10.301 -1.248 1.00 0.00 C ATOM 989 NZ LYS A 66 20.237 -10.881 -0.814 1.00 0.00 N ATOM 0 H LYS A 66 13.206 -10.377 0.122 1.00 0.00 H new ATOM 0 HA LYS A 66 15.614 -11.806 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.705 -9.061 0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 66 15.960 -9.279 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.248 -10.206 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 66 16.776 -8.631 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.335 -9.695 0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.767 -11.286 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.552 -10.882 -2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.115 -9.288 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.903 -10.885 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.630 -10.312 -0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.084 -11.856 -0.485 1.00 0.00 H new ATOM 1003 N ASP A 67 14.309 -11.337 3.126 1.00 0.00 N ATOM 1004 CA ASP A 67 14.362 -11.791 4.514 1.00 0.00 C ATOM 1005 C ASP A 67 14.480 -13.315 4.643 1.00 0.00 C ATOM 1006 O ASP A 67 14.866 -13.802 5.703 1.00 0.00 O ATOM 1007 CB ASP A 67 13.152 -11.263 5.298 1.00 0.00 C ATOM 1008 CG ASP A 67 11.814 -11.681 4.693 1.00 0.00 C ATOM 1009 OD1 ASP A 67 11.508 -12.892 4.736 1.00 0.00 O ATOM 1010 OD2 ASP A 67 11.130 -10.770 4.180 1.00 0.00 O ATOM 0 H ASP A 67 13.451 -10.837 2.891 1.00 0.00 H new ATOM 0 HA ASP A 67 15.273 -11.378 4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.207 -11.624 6.325 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.201 -10.175 5.339 1.00 0.00 H new ATOM 1015 N GLY A 68 14.129 -14.078 3.603 1.00 0.00 N ATOM 1016 CA GLY A 68 14.260 -15.527 3.610 1.00 0.00 C ATOM 1017 C GLY A 68 13.319 -16.207 4.608 1.00 0.00 C ATOM 1018 O GLY A 68 13.589 -17.329 5.027 1.00 0.00 O ATOM 0 H GLY A 68 13.747 -13.702 2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.058 -15.910 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 68 15.289 -15.792 3.851 1.00 0.00 H new ATOM 1022 N GLN A 69 12.214 -15.544 4.970 1.00 0.00 N ATOM 1023 CA GLN A 69 11.193 -16.069 5.864 1.00 0.00 C ATOM 1024 C GLN A 69 9.854 -16.100 5.131 1.00 0.00 C ATOM 1025 O GLN A 69 9.247 -17.156 4.980 1.00 0.00 O ATOM 1026 CB GLN A 69 11.119 -15.209 7.132 1.00 0.00 C ATOM 1027 CG GLN A 69 10.284 -15.901 8.217 1.00 0.00 C ATOM 1028 CD GLN A 69 10.005 -14.964 9.386 1.00 0.00 C ATOM 1029 OE1 GLN A 69 10.687 -15.002 10.404 1.00 0.00 O ATOM 1030 NE2 GLN A 69 8.990 -14.114 9.253 1.00 0.00 N ATOM 0 H GLN A 69 12.006 -14.603 4.636 1.00 0.00 H new ATOM 0 HA GLN A 69 11.445 -17.085 6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.125 -15.020 7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.681 -14.240 6.893 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.341 -16.243 7.790 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.811 -16.785 8.575 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.441 -14.106 8.394 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.761 -13.470 10.010 1.00 0.00 H new ATOM 1039 N THR A 70 9.376 -14.935 4.691 1.00 0.00 N ATOM 1040 CA THR A 70 8.155 -14.810 3.934 1.00 0.00 C ATOM 1041 C THR A 70 8.464 -15.162 2.481 1.00 0.00 C ATOM 1042 O THR A 70 9.540 -14.868 1.956 1.00 0.00 O ATOM 1043 CB THR A 70 7.624 -13.381 4.099 1.00 0.00 C ATOM 1044 OG1 THR A 70 8.696 -12.474 3.956 1.00 0.00 O ATOM 1045 CG2 THR A 70 7.013 -13.187 5.490 1.00 0.00 C ATOM 0 H THR A 70 9.843 -14.044 4.860 1.00 0.00 H new ATOM 0 HA THR A 70 7.379 -15.489 4.287 1.00 0.00 H new ATOM 0 HB THR A 70 6.859 -13.205 3.342 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.642 -12.040 3.079 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.643 -12.166 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.188 -13.887 5.626 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.773 -13.370 6.250 1.00 0.00 H new ATOM 1053 N ASN A 71 7.511 -15.832 1.839 1.00 0.00 N ATOM 1054 CA ASN A 71 7.702 -16.296 0.473 1.00 0.00 C ATOM 1055 C ASN A 71 7.528 -15.114 -0.468 1.00 0.00 C ATOM 1056 O ASN A 71 8.461 -14.747 -1.170 1.00 0.00 O ATOM 1057 CB ASN A 71 6.780 -17.471 0.138 1.00 0.00 C ATOM 1058 CG ASN A 71 7.346 -18.791 0.646 1.00 0.00 C ATOM 1059 OD1 ASN A 71 6.836 -19.364 1.602 1.00 0.00 O ATOM 1060 ND2 ASN A 71 8.397 -19.286 -0.002 1.00 0.00 N ATOM 0 H ASN A 71 6.603 -16.064 2.243 1.00 0.00 H new ATOM 0 HA ASN A 71 8.712 -16.687 0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.798 -17.301 0.580 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.638 -17.527 -0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.807 -20.172 0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.793 -18.779 -0.793 1.00 0.00 H new ATOM 1067 N CYS A 72 6.346 -14.489 -0.425 1.00 0.00 N ATOM 1068 CA CYS A 72 6.025 -13.262 -1.153 1.00 0.00 C ATOM 1069 C CYS A 72 5.868 -13.551 -2.640 1.00 0.00 C ATOM 1070 O CYS A 72 6.591 -14.375 -3.183 1.00 0.00 O ATOM 1071 CB CYS A 72 7.092 -12.175 -0.930 1.00 0.00 C ATOM 1072 SG CYS A 72 7.591 -11.930 0.789 1.00 0.00 S ATOM 0 H CYS A 72 5.566 -14.835 0.134 1.00 0.00 H new ATOM 0 HA CYS A 72 5.079 -12.885 -0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 72 7.975 -12.430 -1.515 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.713 -11.230 -1.320 1.00 0.00 H new ATOM 1077 N TYR A 73 4.917 -12.908 -3.310 1.00 0.00 N ATOM 1078 CA TYR A 73 4.723 -13.026 -4.745 1.00 0.00 C ATOM 1079 C TYR A 73 4.888 -11.651 -5.375 1.00 0.00 C ATOM 1080 O TYR A 73 4.604 -10.624 -4.752 1.00 0.00 O ATOM 1081 CB TYR A 73 3.338 -13.606 -5.065 1.00 0.00 C ATOM 1082 CG TYR A 73 2.210 -12.968 -4.290 1.00 0.00 C ATOM 1083 CD1 TYR A 73 1.750 -11.684 -4.625 1.00 0.00 C ATOM 1084 CD2 TYR A 73 1.772 -13.573 -3.104 1.00 0.00 C ATOM 1085 CE1 TYR A 73 0.917 -10.985 -3.736 1.00 0.00 C ATOM 1086 CE2 TYR A 73 1.008 -12.849 -2.187 1.00 0.00 C ATOM 1087 CZ TYR A 73 0.581 -11.549 -2.495 1.00 0.00 C ATOM 1088 OH TYR A 73 -0.209 -10.865 -1.619 1.00 0.00 O ATOM 0 H TYR A 73 4.250 -12.281 -2.861 1.00 0.00 H new ATOM 0 HA TYR A 73 5.466 -13.709 -5.156 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.144 -13.489 -6.131 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.347 -14.676 -4.858 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.036 -11.235 -5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.026 -14.602 -2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.534 -10.012 -4.007 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.745 -13.291 -1.237 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.859 -11.478 -1.217 1.00 0.00 H new ATOM 1098 N GLN A 74 5.365 -11.645 -6.618 1.00 0.00 N ATOM 1099 CA GLN A 74 5.358 -10.461 -7.453 1.00 0.00 C ATOM 1100 C GLN A 74 3.966 -10.235 -8.020 1.00 0.00 C ATOM 1101 O GLN A 74 3.184 -11.170 -8.183 1.00 0.00 O ATOM 1102 CB GLN A 74 6.427 -10.612 -8.540 1.00 0.00 C ATOM 1103 CG GLN A 74 6.270 -9.731 -9.787 1.00 0.00 C ATOM 1104 CD GLN A 74 7.444 -9.929 -10.738 1.00 0.00 C ATOM 1105 OE1 GLN A 74 7.508 -10.927 -11.447 1.00 0.00 O ATOM 1106 NE2 GLN A 74 8.391 -8.997 -10.759 1.00 0.00 N ATOM 0 H GLN A 74 5.767 -12.467 -7.069 1.00 0.00 H new ATOM 0 HA GLN A 74 5.604 -9.575 -6.868 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.399 -10.400 -8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.443 -11.654 -8.859 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.338 -9.976 -10.296 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.207 -8.683 -9.493 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.312 -8.176 -10.158 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.197 -9.102 -11.376 1.00 0.00 H new ATOM 1115 N SER A 75 3.697 -8.987 -8.379 1.00 0.00 N ATOM 1116 CA SER A 75 2.517 -8.614 -9.138 1.00 0.00 C ATOM 1117 C SER A 75 2.763 -8.896 -10.615 1.00 0.00 C ATOM 1118 O SER A 75 3.633 -8.275 -11.223 1.00 0.00 O ATOM 1119 CB SER A 75 2.181 -7.149 -8.888 1.00 0.00 C ATOM 1120 OG SER A 75 0.838 -6.881 -9.232 1.00 0.00 O ATOM 0 H SER A 75 4.301 -8.198 -8.147 1.00 0.00 H new ATOM 0 HA SER A 75 1.659 -9.205 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.349 -6.906 -7.839 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.846 -6.513 -9.473 1.00 0.00 H new ATOM 0 HG SER A 75 0.809 -6.401 -10.086 1.00 0.00 H new ATOM 1126 N LYS A 76 2.000 -9.834 -11.184 1.00 0.00 N ATOM 1127 CA LYS A 76 2.041 -10.147 -12.607 1.00 0.00 C ATOM 1128 C LYS A 76 1.790 -8.908 -13.462 1.00 0.00 C ATOM 1129 O LYS A 76 2.317 -8.806 -14.568 1.00 0.00 O ATOM 1130 CB LYS A 76 1.090 -11.315 -12.924 1.00 0.00 C ATOM 1131 CG LYS A 76 -0.401 -11.052 -12.646 1.00 0.00 C ATOM 1132 CD LYS A 76 -1.215 -10.437 -13.798 1.00 0.00 C ATOM 1133 CE LYS A 76 -1.426 -11.385 -14.989 1.00 0.00 C ATOM 1134 NZ LYS A 76 -0.416 -11.194 -16.049 1.00 0.00 N ATOM 0 H LYS A 76 1.332 -10.400 -10.661 1.00 0.00 H new ATOM 0 HA LYS A 76 3.046 -10.479 -12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.204 -11.578 -13.976 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.402 -12.182 -12.343 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.867 -11.996 -12.364 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.476 -10.390 -11.784 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.188 -10.127 -13.417 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.708 -9.538 -14.148 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.390 -12.417 -14.639 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.420 -11.224 -15.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.889 -10.925 -16.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.245 -10.442 -15.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.109 -12.080 -16.192 1.00 0.00 H new ATOM 1148 N SER A 77 1.001 -7.965 -12.946 1.00 0.00 N ATOM 1149 CA SER A 77 0.785 -6.671 -13.549 1.00 0.00 C ATOM 1150 C SER A 77 1.516 -5.599 -12.749 1.00 0.00 C ATOM 1151 O SER A 77 1.583 -5.645 -11.523 1.00 0.00 O ATOM 1152 CB SER A 77 -0.717 -6.377 -13.572 1.00 0.00 C ATOM 1153 OG SER A 77 -1.328 -6.921 -12.410 1.00 0.00 O ATOM 0 H SER A 77 0.486 -8.094 -12.075 1.00 0.00 H new ATOM 0 HA SER A 77 1.172 -6.670 -14.568 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.886 -5.301 -13.614 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.168 -6.806 -14.467 1.00 0.00 H new ATOM 0 HG SER A 77 -2.289 -6.730 -12.426 1.00 0.00 H new ATOM 1159 N THR A 78 2.039 -4.606 -13.456 1.00 0.00 N ATOM 1160 CA THR A 78 2.531 -3.372 -12.879 1.00 0.00 C ATOM 1161 C THR A 78 1.309 -2.509 -12.546 1.00 0.00 C ATOM 1162 O THR A 78 0.283 -2.612 -13.220 1.00 0.00 O ATOM 1163 CB THR A 78 3.416 -2.717 -13.949 1.00 0.00 C ATOM 1164 OG1 THR A 78 2.740 -2.753 -15.193 1.00 0.00 O ATOM 1165 CG2 THR A 78 4.724 -3.496 -14.138 1.00 0.00 C ATOM 0 H THR A 78 2.133 -4.642 -14.471 1.00 0.00 H new ATOM 0 HA THR A 78 3.112 -3.515 -11.968 1.00 0.00 H new ATOM 0 HB THR A 78 3.629 -1.698 -13.626 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.299 -2.335 -15.881 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.330 -3.009 -14.902 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.274 -3.518 -13.197 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.498 -4.516 -14.450 1.00 0.00 H new ATOM 1173 N MET A 79 1.393 -1.687 -11.495 1.00 0.00 N ATOM 1174 CA MET A 79 0.310 -0.820 -11.057 1.00 0.00 C ATOM 1175 C MET A 79 0.886 0.522 -10.618 1.00 0.00 C ATOM 1176 O MET A 79 2.062 0.612 -10.261 1.00 0.00 O ATOM 1177 CB MET A 79 -0.471 -1.485 -9.912 1.00 0.00 C ATOM 1178 CG MET A 79 -1.421 -2.566 -10.441 1.00 0.00 C ATOM 1179 SD MET A 79 -2.854 -1.924 -11.346 1.00 0.00 S ATOM 1180 CE MET A 79 -3.371 -3.401 -12.245 1.00 0.00 C ATOM 0 H MET A 79 2.232 -1.609 -10.920 1.00 0.00 H new ATOM 0 HA MET A 79 -0.382 -0.653 -11.882 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.227 -1.927 -9.201 1.00 0.00 H new ATOM 0 HB3 MET A 79 -1.041 -0.730 -9.371 1.00 0.00 H new ATOM 0 HG2 MET A 79 -0.862 -3.235 -11.096 1.00 0.00 H new ATOM 0 HG3 MET A 79 -1.775 -3.164 -9.601 1.00 0.00 H new ATOM 0 HE1 MET A 79 -4.246 -3.170 -12.852 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.560 -3.736 -12.891 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.619 -4.190 -11.536 1.00 0.00 H new ATOM 1190 N ARG A 80 0.043 1.558 -10.670 1.00 0.00 N ATOM 1191 CA ARG A 80 0.370 2.914 -10.260 1.00 0.00 C ATOM 1192 C ARG A 80 0.335 2.998 -8.733 1.00 0.00 C ATOM 1193 O ARG A 80 -0.670 3.378 -8.137 1.00 0.00 O ATOM 1194 CB ARG A 80 -0.546 3.919 -10.987 1.00 0.00 C ATOM 1195 CG ARG A 80 -2.043 3.838 -10.642 1.00 0.00 C ATOM 1196 CD ARG A 80 -2.889 4.474 -11.748 1.00 0.00 C ATOM 1197 NE ARG A 80 -4.315 4.468 -11.383 1.00 0.00 N ATOM 1198 CZ ARG A 80 -5.345 4.407 -12.241 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -5.132 4.384 -13.563 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -6.595 4.375 -11.767 1.00 0.00 N ATOM 0 H ARG A 80 -0.914 1.466 -11.010 1.00 0.00 H new ATOM 0 HA ARG A 80 1.384 3.186 -10.555 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.196 4.927 -10.764 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.432 3.773 -12.061 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.334 2.796 -10.508 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.231 4.346 -9.696 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.558 5.498 -11.922 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.745 3.929 -12.681 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.540 4.514 -10.389 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.179 4.413 -13.927 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.922 4.338 -14.206 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.760 4.397 -10.761 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.384 4.329 -12.412 1.00 0.00 H new ATOM 1214 N ILE A 81 1.429 2.608 -8.080 1.00 0.00 N ATOM 1215 CA ILE A 81 1.505 2.653 -6.637 1.00 0.00 C ATOM 1216 C ILE A 81 1.882 4.063 -6.206 1.00 0.00 C ATOM 1217 O ILE A 81 2.762 4.682 -6.804 1.00 0.00 O ATOM 1218 CB ILE A 81 2.486 1.605 -6.109 1.00 0.00 C ATOM 1219 CG1 ILE A 81 3.912 1.731 -6.673 1.00 0.00 C ATOM 1220 CG2 ILE A 81 1.920 0.209 -6.372 1.00 0.00 C ATOM 1221 CD1 ILE A 81 4.912 0.842 -5.935 1.00 0.00 C ATOM 0 H ILE A 81 2.271 2.258 -8.537 1.00 0.00 H new ATOM 0 HA ILE A 81 0.533 2.409 -6.208 1.00 0.00 H new ATOM 0 HB ILE A 81 2.589 1.782 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.906 1.466 -7.730 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.235 2.770 -6.606 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.616 -0.542 -5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.962 0.103 -5.863 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.778 0.070 -7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.903 0.968 -6.372 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.941 1.123 -4.882 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.607 -0.201 -6.024 1.00 0.00 H new ATOM 1233 N THR A 82 1.187 4.571 -5.190 1.00 0.00 N ATOM 1234 CA THR A 82 1.342 5.932 -4.712 1.00 0.00 C ATOM 1235 C THR A 82 2.041 5.886 -3.353 1.00 0.00 C ATOM 1236 O THR A 82 1.389 5.694 -2.328 1.00 0.00 O ATOM 1237 CB THR A 82 -0.045 6.583 -4.708 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.575 6.526 -6.021 1.00 0.00 O ATOM 1239 CG2 THR A 82 0.002 8.043 -4.266 1.00 0.00 C ATOM 0 H THR A 82 0.491 4.035 -4.672 1.00 0.00 H new ATOM 0 HA THR A 82 1.973 6.550 -5.351 1.00 0.00 H new ATOM 0 HB THR A 82 -0.668 6.038 -3.999 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.386 7.074 -6.071 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.005 8.460 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.406 8.104 -3.256 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.638 8.609 -4.947 1.00 0.00 H new ATOM 1247 N ASP A 83 3.372 6.017 -3.357 1.00 0.00 N ATOM 1248 CA ASP A 83 4.227 5.979 -2.183 1.00 0.00 C ATOM 1249 C ASP A 83 4.238 7.355 -1.532 1.00 0.00 C ATOM 1250 O ASP A 83 4.842 8.284 -2.069 1.00 0.00 O ATOM 1251 CB ASP A 83 5.647 5.529 -2.560 1.00 0.00 C ATOM 1252 CG ASP A 83 5.682 4.098 -3.085 1.00 0.00 C ATOM 1253 OD1 ASP A 83 5.401 3.922 -4.290 1.00 0.00 O ATOM 1254 OD2 ASP A 83 5.976 3.197 -2.268 1.00 0.00 O ATOM 0 H ASP A 83 3.898 6.158 -4.220 1.00 0.00 H new ATOM 0 HA ASP A 83 3.836 5.253 -1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.049 6.201 -3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.295 5.609 -1.687 1.00 0.00 H new ATOM 1259 N CYS A 84 3.563 7.490 -0.391 1.00 0.00 N ATOM 1260 CA CYS A 84 3.467 8.741 0.342 1.00 0.00 C ATOM 1261 C CYS A 84 4.468 8.787 1.501 1.00 0.00 C ATOM 1262 O CYS A 84 4.538 7.827 2.271 1.00 0.00 O ATOM 1263 CB CYS A 84 2.027 8.999 0.789 1.00 0.00 C ATOM 1264 SG CYS A 84 1.735 10.759 1.043 1.00 0.00 S ATOM 0 H CYS A 84 3.062 6.720 0.052 1.00 0.00 H new ATOM 0 HA CYS A 84 3.740 9.556 -0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.335 8.617 0.038 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.826 8.456 1.713 1.00 0.00 H new ATOM 1269 N ARG A 85 5.265 9.860 1.621 1.00 0.00 N ATOM 1270 CA ARG A 85 6.336 9.979 2.613 1.00 0.00 C ATOM 1271 C ARG A 85 6.368 11.402 3.161 1.00 0.00 C ATOM 1272 O ARG A 85 6.260 12.337 2.381 1.00 0.00 O ATOM 1273 CB ARG A 85 7.695 9.682 1.966 1.00 0.00 C ATOM 1274 CG ARG A 85 7.744 8.294 1.314 1.00 0.00 C ATOM 1275 CD ARG A 85 9.188 7.828 1.109 1.00 0.00 C ATOM 1276 NE ARG A 85 9.950 8.764 0.272 1.00 0.00 N ATOM 1277 CZ ARG A 85 11.271 8.686 0.060 1.00 0.00 C ATOM 1278 NH1 ARG A 85 11.984 7.688 0.595 1.00 0.00 N ATOM 1279 NH2 ARG A 85 11.877 9.613 -0.689 1.00 0.00 N ATOM 0 H ARG A 85 5.179 10.680 1.021 1.00 0.00 H new ATOM 0 HA ARG A 85 6.146 9.266 3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.909 10.441 1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.477 9.753 2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.213 7.577 1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.229 8.322 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.678 7.725 2.077 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.189 6.842 0.645 1.00 0.00 H new ATOM 0 HE ARG A 85 9.440 9.524 -0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.522 6.981 1.168 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.989 7.634 0.430 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.334 10.375 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.882 9.558 -0.854 1.00 0.00 H new ATOM 1293 N GLU A 86 6.509 11.607 4.471 1.00 0.00 N ATOM 1294 CA GLU A 86 6.661 12.945 5.023 1.00 0.00 C ATOM 1295 C GLU A 86 7.788 13.704 4.308 1.00 0.00 C ATOM 1296 O GLU A 86 8.942 13.283 4.336 1.00 0.00 O ATOM 1297 CB GLU A 86 6.852 12.888 6.545 1.00 0.00 C ATOM 1298 CG GLU A 86 8.098 12.117 7.018 1.00 0.00 C ATOM 1299 CD GLU A 86 8.175 12.054 8.541 1.00 0.00 C ATOM 1300 OE1 GLU A 86 7.819 13.076 9.170 1.00 0.00 O ATOM 1301 OE2 GLU A 86 8.593 10.991 9.046 1.00 0.00 O ATOM 0 H GLU A 86 6.521 10.861 5.166 1.00 0.00 H new ATOM 0 HA GLU A 86 5.744 13.507 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.908 13.907 6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.969 12.429 6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.077 11.106 6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.995 12.598 6.627 1.00 0.00 H new ATOM 1308 N THR A 87 7.454 14.815 3.651 1.00 0.00 N ATOM 1309 CA THR A 87 8.391 15.629 2.903 1.00 0.00 C ATOM 1310 C THR A 87 9.594 16.045 3.747 1.00 0.00 C ATOM 1311 O THR A 87 10.738 15.955 3.308 1.00 0.00 O ATOM 1312 CB THR A 87 7.634 16.860 2.392 1.00 0.00 C ATOM 1313 OG1 THR A 87 6.514 16.458 1.634 1.00 0.00 O ATOM 1314 CG2 THR A 87 8.530 17.717 1.514 1.00 0.00 C ATOM 0 H THR A 87 6.500 15.176 3.628 1.00 0.00 H new ATOM 0 HA THR A 87 8.790 15.048 2.071 1.00 0.00 H new ATOM 0 HB THR A 87 7.313 17.440 3.257 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.745 16.331 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.972 18.585 1.162 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.393 18.050 2.090 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.868 17.132 0.659 1.00 0.00 H new ATOM 1322 N GLY A 88 9.311 16.568 4.936 1.00 0.00 N ATOM 1323 CA GLY A 88 10.311 17.206 5.774 1.00 0.00 C ATOM 1324 C GLY A 88 9.759 17.415 7.175 1.00 0.00 C ATOM 1325 O GLY A 88 9.529 18.547 7.590 1.00 0.00 O ATOM 0 H GLY A 88 8.376 16.559 5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.209 16.590 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.602 18.164 5.342 1.00 0.00 H new ATOM 1329 N SER A 89 9.540 16.313 7.894 1.00 0.00 N ATOM 1330 CA SER A 89 9.179 16.332 9.302 1.00 0.00 C ATOM 1331 C SER A 89 7.809 16.978 9.496 1.00 0.00 C ATOM 1332 O SER A 89 7.658 17.897 10.294 1.00 0.00 O ATOM 1333 CB SER A 89 10.279 17.007 10.131 1.00 0.00 C ATOM 1334 OG SER A 89 11.528 16.412 9.828 1.00 0.00 O ATOM 0 H SER A 89 9.611 15.373 7.505 1.00 0.00 H new ATOM 0 HA SER A 89 9.097 15.307 9.665 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.310 18.075 9.914 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.063 16.904 11.194 1.00 0.00 H new ATOM 0 HG SER A 89 12.232 16.843 10.356 1.00 0.00 H new ATOM 1340 N SER A 90 6.815 16.467 8.767 1.00 0.00 N ATOM 1341 CA SER A 90 5.412 16.778 8.897 1.00 0.00 C ATOM 1342 C SER A 90 4.948 16.813 10.361 1.00 0.00 C ATOM 1343 O SER A 90 4.728 15.765 10.966 1.00 0.00 O ATOM 1344 CB SER A 90 4.704 15.710 8.062 1.00 0.00 C ATOM 1345 OG SER A 90 5.074 15.938 6.718 1.00 0.00 O ATOM 0 H SER A 90 6.991 15.785 8.029 1.00 0.00 H new ATOM 0 HA SER A 90 5.179 17.781 8.540 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.999 14.710 8.381 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.623 15.777 8.183 1.00 0.00 H new ATOM 0 HG SER A 90 4.777 15.186 6.165 1.00 0.00 H new ATOM 1351 N LYS A 91 4.798 18.022 10.916 1.00 0.00 N ATOM 1352 CA LYS A 91 4.481 18.297 12.313 1.00 0.00 C ATOM 1353 C LYS A 91 3.226 19.173 12.347 1.00 0.00 C ATOM 1354 O LYS A 91 3.306 20.388 12.160 1.00 0.00 O ATOM 1355 CB LYS A 91 5.681 18.988 12.997 1.00 0.00 C ATOM 1356 CG LYS A 91 6.414 18.114 14.027 1.00 0.00 C ATOM 1357 CD LYS A 91 7.030 16.846 13.422 1.00 0.00 C ATOM 1358 CE LYS A 91 7.805 16.028 14.463 1.00 0.00 C ATOM 1359 NZ LYS A 91 9.008 16.736 14.937 1.00 0.00 N ATOM 0 H LYS A 91 4.901 18.877 10.369 1.00 0.00 H new ATOM 0 HA LYS A 91 4.287 17.374 12.860 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.391 19.298 12.231 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.330 19.894 13.491 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.202 18.703 14.497 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.715 17.830 14.814 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.241 16.230 12.992 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.699 17.122 12.607 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.155 15.810 15.310 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.095 15.071 14.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.591 16.088 15.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.558 17.070 14.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.725 17.549 15.520 1.00 0.00 H new ATOM 1373 N TYR A 92 2.068 18.538 12.565 1.00 0.00 N ATOM 1374 CA TYR A 92 0.757 19.180 12.593 1.00 0.00 C ATOM 1375 C TYR A 92 0.787 20.510 13.355 1.00 0.00 C ATOM 1376 O TYR A 92 1.302 20.543 14.472 1.00 0.00 O ATOM 1377 CB TYR A 92 -0.282 18.219 13.185 1.00 0.00 C ATOM 1378 CG TYR A 92 -1.709 18.471 12.731 1.00 0.00 C ATOM 1379 CD1 TYR A 92 -2.137 18.088 11.445 1.00 0.00 C ATOM 1380 CD2 TYR A 92 -2.642 18.993 13.646 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -3.499 18.152 11.103 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -3.999 19.088 13.292 1.00 0.00 C ATOM 1383 CZ TYR A 92 -4.434 18.623 12.041 1.00 0.00 C ATOM 1384 OH TYR A 92 -5.768 18.618 11.761 1.00 0.00 O ATOM 0 H TYR A 92 2.021 17.533 12.731 1.00 0.00 H new ATOM 0 HA TYR A 92 0.472 19.416 11.568 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.006 17.198 12.920 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.243 18.288 14.272 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -1.416 17.744 10.719 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.315 19.321 14.622 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.826 17.840 10.122 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.708 19.519 13.983 1.00 0.00 H new ATOM 0 HH TYR A 92 -5.990 17.816 11.243 1.00 0.00 H new ATOM 1394 N PRO A 93 0.278 21.613 12.782 1.00 0.00 N ATOM 1395 CA PRO A 93 -0.470 21.704 11.529 1.00 0.00 C ATOM 1396 C PRO A 93 0.412 21.584 10.278 1.00 0.00 C ATOM 1397 O PRO A 93 -0.100 21.359 9.184 1.00 0.00 O ATOM 1398 CB PRO A 93 -1.136 23.082 11.576 1.00 0.00 C ATOM 1399 CG PRO A 93 -0.145 23.919 12.386 1.00 0.00 C ATOM 1400 CD PRO A 93 0.355 22.915 13.423 1.00 0.00 C ATOM 0 HA PRO A 93 -1.178 20.879 11.450 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.287 23.491 10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.114 23.041 12.055 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.666 24.302 11.766 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.625 24.780 12.851 1.00 0.00 H new ATOM 0 HD2 PRO A 93 1.377 23.142 13.726 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.258 22.945 14.324 1.00 0.00 H new ATOM 1408 N ASN A 94 1.731 21.722 10.420 1.00 0.00 N ATOM 1409 CA ASN A 94 2.671 21.766 9.308 1.00 0.00 C ATOM 1410 C ASN A 94 2.950 20.345 8.822 1.00 0.00 C ATOM 1411 O ASN A 94 4.083 19.875 8.914 1.00 0.00 O ATOM 1412 CB ASN A 94 3.978 22.461 9.733 1.00 0.00 C ATOM 1413 CG ASN A 94 3.742 23.763 10.488 1.00 0.00 C ATOM 1414 OD1 ASN A 94 3.597 24.824 9.891 1.00 0.00 O ATOM 1415 ND2 ASN A 94 3.704 23.689 11.817 1.00 0.00 N ATOM 0 H ASN A 94 2.181 21.808 11.331 1.00 0.00 H new ATOM 0 HA ASN A 94 2.234 22.342 8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.556 21.783 10.361 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.579 22.665 8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.550 24.532 12.371 1.00 0.00 H new ATOM 0 HD22 ASN A 94 3.828 22.789 12.281 1.00 0.00 H new ATOM 1422 N CYS A 95 1.925 19.647 8.322 1.00 0.00 N ATOM 1423 CA CYS A 95 2.090 18.314 7.755 1.00 0.00 C ATOM 1424 C CYS A 95 2.122 18.372 6.241 1.00 0.00 C ATOM 1425 O CYS A 95 1.183 18.833 5.596 1.00 0.00 O ATOM 1426 CB CYS A 95 1.059 17.310 8.245 1.00 0.00 C ATOM 1427 SG CYS A 95 1.339 16.872 9.967 1.00 0.00 S ATOM 0 H CYS A 95 0.965 19.992 8.301 1.00 0.00 H new ATOM 0 HA CYS A 95 3.052 17.949 8.115 1.00 0.00 H new ATOM 0 HB2 CYS A 95 0.059 17.728 8.132 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.101 16.412 7.628 1.00 0.00 H new ATOM 1432 N ALA A 96 3.224 17.876 5.696 1.00 0.00 N ATOM 1433 CA ALA A 96 3.597 17.967 4.304 1.00 0.00 C ATOM 1434 C ALA A 96 3.864 16.545 3.832 1.00 0.00 C ATOM 1435 O ALA A 96 4.985 16.058 3.961 1.00 0.00 O ATOM 1436 CB ALA A 96 4.856 18.840 4.231 1.00 0.00 C ATOM 0 H ALA A 96 3.916 17.372 6.251 1.00 0.00 H new ATOM 0 HA ALA A 96 2.828 18.413 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.173 18.935 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.637 19.828 4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.653 18.378 4.813 1.00 0.00 H new ATOM 1442 N TYR A 97 2.838 15.837 3.359 1.00 0.00 N ATOM 1443 CA TYR A 97 3.012 14.455 2.949 1.00 0.00 C ATOM 1444 C TYR A 97 3.397 14.437 1.463 1.00 0.00 C ATOM 1445 O TYR A 97 2.591 14.799 0.607 1.00 0.00 O ATOM 1446 CB TYR A 97 1.752 13.641 3.294 1.00 0.00 C ATOM 1447 CG TYR A 97 1.988 12.381 4.114 1.00 0.00 C ATOM 1448 CD1 TYR A 97 3.069 11.532 3.816 1.00 0.00 C ATOM 1449 CD2 TYR A 97 1.073 12.005 5.116 1.00 0.00 C ATOM 1450 CE1 TYR A 97 3.215 10.307 4.484 1.00 0.00 C ATOM 1451 CE2 TYR A 97 1.224 10.780 5.789 1.00 0.00 C ATOM 1452 CZ TYR A 97 2.272 9.910 5.437 1.00 0.00 C ATOM 1453 OH TYR A 97 2.325 8.644 5.940 1.00 0.00 O ATOM 0 H TYR A 97 1.890 16.198 3.253 1.00 0.00 H new ATOM 0 HA TYR A 97 3.823 13.970 3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.063 14.285 3.841 1.00 0.00 H new ATOM 0 HB3 TYR A 97 1.256 13.361 2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.791 11.825 3.068 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.252 12.660 5.368 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.058 9.669 4.262 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.536 10.507 6.576 1.00 0.00 H new ATOM 0 HH TYR A 97 1.560 8.128 5.609 1.00 0.00 H new ATOM 1463 N LYS A 98 4.644 14.072 1.155 1.00 0.00 N ATOM 1464 CA LYS A 98 5.141 13.941 -0.208 1.00 0.00 C ATOM 1465 C LYS A 98 4.448 12.758 -0.867 1.00 0.00 C ATOM 1466 O LYS A 98 4.360 11.714 -0.234 1.00 0.00 O ATOM 1467 CB LYS A 98 6.664 13.723 -0.247 1.00 0.00 C ATOM 1468 CG LYS A 98 7.243 13.954 -1.650 1.00 0.00 C ATOM 1469 CD LYS A 98 8.716 13.523 -1.682 1.00 0.00 C ATOM 1470 CE LYS A 98 9.366 13.790 -3.045 1.00 0.00 C ATOM 1471 NZ LYS A 98 8.653 13.116 -4.147 1.00 0.00 N ATOM 0 H LYS A 98 5.346 13.856 1.863 1.00 0.00 H new ATOM 0 HA LYS A 98 4.926 14.867 -0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.145 14.399 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.893 12.708 0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.673 13.388 -2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.157 15.006 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.266 14.057 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.788 12.461 -1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.386 14.864 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.402 13.451 -3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.260 13.093 -4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.417 12.143 -3.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.779 13.636 -4.364 1.00 0.00 H new ATOM 1485 N THR A 99 4.014 12.884 -2.122 1.00 0.00 N ATOM 1486 CA THR A 99 3.339 11.810 -2.844 1.00 0.00 C ATOM 1487 C THR A 99 4.158 11.416 -4.074 1.00 0.00 C ATOM 1488 O THR A 99 4.077 12.079 -5.105 1.00 0.00 O ATOM 1489 CB THR A 99 1.926 12.275 -3.209 1.00 0.00 C ATOM 1490 OG1 THR A 99 1.267 12.692 -2.035 1.00 0.00 O ATOM 1491 CG2 THR A 99 1.099 11.142 -3.807 1.00 0.00 C ATOM 0 H THR A 99 4.123 13.739 -2.667 1.00 0.00 H new ATOM 0 HA THR A 99 3.253 10.920 -2.220 1.00 0.00 H new ATOM 0 HB THR A 99 2.020 13.080 -3.938 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.379 13.039 -2.264 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.103 11.509 -4.053 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.585 10.775 -4.711 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.018 10.330 -3.084 1.00 0.00 H new ATOM 1499 N THR A 100 4.934 10.334 -3.971 1.00 0.00 N ATOM 1500 CA THR A 100 5.717 9.780 -5.066 1.00 0.00 C ATOM 1501 C THR A 100 4.934 8.620 -5.685 1.00 0.00 C ATOM 1502 O THR A 100 4.881 7.537 -5.104 1.00 0.00 O ATOM 1503 CB THR A 100 7.073 9.304 -4.520 1.00 0.00 C ATOM 1504 OG1 THR A 100 7.738 10.377 -3.878 1.00 0.00 O ATOM 1505 CG2 THR A 100 7.966 8.772 -5.645 1.00 0.00 C ATOM 0 H THR A 100 5.034 9.810 -3.101 1.00 0.00 H new ATOM 0 HA THR A 100 5.900 10.531 -5.834 1.00 0.00 H new ATOM 0 HB THR A 100 6.883 8.500 -3.809 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.600 10.067 -3.531 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.918 8.443 -5.229 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.473 7.931 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 100 8.143 9.563 -6.374 1.00 0.00 H new ATOM 1513 N GLN A 101 4.331 8.818 -6.861 1.00 0.00 N ATOM 1514 CA GLN A 101 3.708 7.723 -7.595 1.00 0.00 C ATOM 1515 C GLN A 101 4.706 7.094 -8.562 1.00 0.00 C ATOM 1516 O GLN A 101 5.522 7.801 -9.151 1.00 0.00 O ATOM 1517 CB GLN A 101 2.425 8.196 -8.286 1.00 0.00 C ATOM 1518 CG GLN A 101 1.744 7.066 -9.076 1.00 0.00 C ATOM 1519 CD GLN A 101 0.322 7.430 -9.484 1.00 0.00 C ATOM 1520 OE1 GLN A 101 0.113 8.177 -10.435 1.00 0.00 O ATOM 1521 NE2 GLN A 101 -0.676 6.938 -8.758 1.00 0.00 N ATOM 0 H GLN A 101 4.263 9.726 -7.321 1.00 0.00 H new ATOM 0 HA GLN A 101 3.414 6.942 -6.894 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.733 8.584 -7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.659 9.019 -8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.331 6.842 -9.967 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.726 6.160 -8.470 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.478 6.319 -7.972 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -1.640 7.179 -8.987 1.00 0.00 H new ATOM 1530 N VAL A 102 4.626 5.772 -8.737 1.00 0.00 N ATOM 1531 CA VAL A 102 5.408 5.042 -9.724 1.00 0.00 C ATOM 1532 C VAL A 102 4.567 3.886 -10.270 1.00 0.00 C ATOM 1533 O VAL A 102 3.755 3.309 -9.547 1.00 0.00 O ATOM 1534 CB VAL A 102 6.760 4.610 -9.123 1.00 0.00 C ATOM 1535 CG1 VAL A 102 6.609 3.726 -7.881 1.00 0.00 C ATOM 1536 CG2 VAL A 102 7.626 3.879 -10.155 1.00 0.00 C ATOM 0 H VAL A 102 4.007 5.176 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 102 5.658 5.679 -10.572 1.00 0.00 H new ATOM 0 HB VAL A 102 7.251 5.535 -8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.596 3.455 -7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.064 4.271 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.060 2.822 -8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.572 3.589 -9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.103 2.988 -10.503 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.820 4.539 -11.000 1.00 0.00 H new ATOM 1546 N GLU A 103 4.742 3.581 -11.559 1.00 0.00 N ATOM 1547 CA GLU A 103 4.061 2.506 -12.260 1.00 0.00 C ATOM 1548 C GLU A 103 5.022 1.330 -12.395 1.00 0.00 C ATOM 1549 O GLU A 103 5.917 1.383 -13.235 1.00 0.00 O ATOM 1550 CB GLU A 103 3.590 2.998 -13.636 1.00 0.00 C ATOM 1551 CG GLU A 103 2.610 4.171 -13.505 1.00 0.00 C ATOM 1552 CD GLU A 103 1.999 4.540 -14.852 1.00 0.00 C ATOM 1553 OE1 GLU A 103 2.756 5.078 -15.689 1.00 0.00 O ATOM 1554 OE2 GLU A 103 0.791 4.268 -15.020 1.00 0.00 O ATOM 0 H GLU A 103 5.386 4.098 -12.158 1.00 0.00 H new ATOM 0 HA GLU A 103 3.181 2.185 -11.702 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.451 3.306 -14.229 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.110 2.179 -14.172 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.817 3.908 -12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.128 5.035 -13.090 1.00 0.00 H new ATOM 1561 N LYS A 104 4.853 0.283 -11.583 1.00 0.00 N ATOM 1562 CA LYS A 104 5.668 -0.922 -11.641 1.00 0.00 C ATOM 1563 C LYS A 104 5.024 -1.978 -10.755 1.00 0.00 C ATOM 1564 O LYS A 104 3.930 -1.776 -10.231 1.00 0.00 O ATOM 1565 CB LYS A 104 7.145 -0.662 -11.275 1.00 0.00 C ATOM 1566 CG LYS A 104 8.060 -0.790 -12.508 1.00 0.00 C ATOM 1567 CD LYS A 104 9.342 0.041 -12.372 1.00 0.00 C ATOM 1568 CE LYS A 104 9.098 1.498 -12.784 1.00 0.00 C ATOM 1569 NZ LYS A 104 10.313 2.315 -12.625 1.00 0.00 N ATOM 0 H LYS A 104 4.135 0.253 -10.859 1.00 0.00 H new ATOM 0 HA LYS A 104 5.699 -1.283 -12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.245 0.336 -10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.462 -1.370 -10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.323 -1.838 -12.655 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.515 -0.470 -13.396 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.696 0.005 -11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.127 -0.390 -12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.768 1.533 -13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.294 1.918 -12.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.113 3.294 -12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.613 2.301 -11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.072 1.928 -13.221 1.00 0.00 H new ATOM 1583 N HIS A 105 5.679 -3.130 -10.650 1.00 0.00 N ATOM 1584 CA HIS A 105 5.123 -4.293 -9.978 1.00 0.00 C ATOM 1585 C HIS A 105 5.461 -4.261 -8.496 1.00 0.00 C ATOM 1586 O HIS A 105 6.610 -4.023 -8.111 1.00 0.00 O ATOM 1587 CB HIS A 105 5.570 -5.597 -10.643 1.00 0.00 C ATOM 1588 CG HIS A 105 7.045 -5.687 -10.940 1.00 0.00 C ATOM 1589 ND1 HIS A 105 8.071 -5.417 -10.054 1.00 0.00 N ATOM 1590 CD2 HIS A 105 7.596 -6.058 -12.134 1.00 0.00 C ATOM 1591 CE1 HIS A 105 9.231 -5.629 -10.704 1.00 0.00 C ATOM 1592 NE2 HIS A 105 8.965 -6.015 -11.968 1.00 0.00 N ATOM 0 H HIS A 105 6.613 -3.281 -11.031 1.00 0.00 H new ATOM 0 HA HIS A 105 4.038 -4.256 -10.072 1.00 0.00 H new ATOM 0 HB2 HIS A 105 5.293 -6.430 -9.997 1.00 0.00 H new ATOM 0 HB3 HIS A 105 5.019 -5.720 -11.575 1.00 0.00 H new ATOM 0 HD1 HIS A 105 7.968 -5.113 -9.086 1.00 0.00 H new ATOM 0 HD2 HIS A 105 7.063 -6.332 -13.033 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.217 -5.509 -10.280 1.00 0.00 H new ATOM 1601 N ILE A 106 4.438 -4.525 -7.684 1.00 0.00 N ATOM 1602 CA ILE A 106 4.598 -4.754 -6.251 1.00 0.00 C ATOM 1603 C ILE A 106 5.086 -6.175 -5.975 1.00 0.00 C ATOM 1604 O ILE A 106 4.867 -7.078 -6.785 1.00 0.00 O ATOM 1605 CB ILE A 106 3.329 -4.400 -5.454 1.00 0.00 C ATOM 1606 CG1 ILE A 106 2.123 -5.295 -5.777 1.00 0.00 C ATOM 1607 CG2 ILE A 106 2.980 -2.930 -5.674 1.00 0.00 C ATOM 1608 CD1 ILE A 106 0.924 -5.034 -4.861 1.00 0.00 C ATOM 0 H ILE A 106 3.472 -4.586 -8.004 1.00 0.00 H new ATOM 0 HA ILE A 106 5.370 -4.071 -5.895 1.00 0.00 H new ATOM 0 HB ILE A 106 3.557 -4.581 -4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.824 -5.133 -6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.419 -6.340 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.082 -2.681 -5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.806 -2.305 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.802 -2.753 -6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.104 -5.696 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.209 -5.223 -3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.605 -3.997 -4.966 1.00 0.00 H new ATOM 1620 N ILE A 107 5.772 -6.344 -4.844 1.00 0.00 N ATOM 1621 CA ILE A 107 6.231 -7.608 -4.294 1.00 0.00 C ATOM 1622 C ILE A 107 5.677 -7.646 -2.875 1.00 0.00 C ATOM 1623 O ILE A 107 6.102 -6.854 -2.033 1.00 0.00 O ATOM 1624 CB ILE A 107 7.774 -7.679 -4.331 1.00 0.00 C ATOM 1625 CG1 ILE A 107 8.340 -7.958 -5.740 1.00 0.00 C ATOM 1626 CG2 ILE A 107 8.287 -8.807 -3.418 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.414 -6.740 -6.666 1.00 0.00 C ATOM 0 H ILE A 107 6.035 -5.552 -4.257 1.00 0.00 H new ATOM 0 HA ILE A 107 5.887 -8.470 -4.865 1.00 0.00 H new ATOM 0 HB ILE A 107 8.112 -6.698 -3.997 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.341 -8.376 -5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.724 -8.720 -6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.376 -8.841 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.967 -8.619 -2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.882 -9.761 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.825 -7.040 -7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.414 -6.330 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.056 -5.981 -6.219 1.00 0.00 H new ATOM 1639 N VAL A 108 4.690 -8.509 -2.617 1.00 0.00 N ATOM 1640 CA VAL A 108 3.971 -8.541 -1.355 1.00 0.00 C ATOM 1641 C VAL A 108 3.570 -9.988 -1.035 1.00 0.00 C ATOM 1642 O VAL A 108 3.677 -10.837 -1.914 1.00 0.00 O ATOM 1643 CB VAL A 108 2.770 -7.578 -1.425 1.00 0.00 C ATOM 1644 CG1 VAL A 108 3.165 -6.136 -1.756 1.00 0.00 C ATOM 1645 CG2 VAL A 108 1.714 -8.004 -2.442 1.00 0.00 C ATOM 0 H VAL A 108 4.370 -9.208 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 108 4.604 -8.198 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 108 2.354 -7.623 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.272 -5.513 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.842 -5.759 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.663 -6.109 -2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.896 -7.283 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.161 -8.044 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.330 -8.989 -2.177 1.00 0.00 H new ATOM 1655 N ALA A 109 3.145 -10.296 0.199 1.00 0.00 N ATOM 1656 CA ALA A 109 2.821 -11.662 0.618 1.00 0.00 C ATOM 1657 C ALA A 109 1.415 -11.791 1.209 1.00 0.00 C ATOM 1658 O ALA A 109 0.805 -10.809 1.650 1.00 0.00 O ATOM 1659 CB ALA A 109 3.878 -12.220 1.579 1.00 0.00 C ATOM 0 H ALA A 109 3.017 -9.601 0.934 1.00 0.00 H new ATOM 0 HA ALA A 109 2.831 -12.266 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.606 -13.235 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.849 -12.232 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.931 -11.590 2.467 1.00 0.00 H new ATOM 1665 N CYS A 110 0.941 -13.042 1.221 1.00 0.00 N ATOM 1666 CA CYS A 110 -0.411 -13.436 1.627 1.00 0.00 C ATOM 1667 C CYS A 110 -0.339 -14.186 2.956 1.00 0.00 C ATOM 1668 O CYS A 110 0.686 -14.799 3.254 1.00 0.00 O ATOM 1669 CB CYS A 110 -1.112 -14.277 0.538 1.00 0.00 C ATOM 1670 SG CYS A 110 -1.999 -13.303 -0.713 1.00 0.00 S ATOM 0 H CYS A 110 1.512 -13.838 0.937 1.00 0.00 H new ATOM 0 HA CYS A 110 -1.015 -12.538 1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -0.366 -14.894 0.037 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -1.817 -14.955 1.019 1.00 0.00 H new ATOM 1675 N GLY A 111 -1.391 -14.095 3.777 1.00 0.00 N ATOM 1676 CA GLY A 111 -1.378 -14.636 5.125 1.00 0.00 C ATOM 1677 C GLY A 111 -1.616 -16.143 5.164 1.00 0.00 C ATOM 1678 O GLY A 111 -1.860 -16.781 4.141 1.00 0.00 O ATOM 0 H GLY A 111 -2.269 -13.644 3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.418 -14.413 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.144 -14.137 5.718 1.00 0.00 H new ATOM 1682 N GLY A 112 -1.557 -16.705 6.377 1.00 0.00 N ATOM 1683 CA GLY A 112 -2.005 -18.059 6.636 1.00 0.00 C ATOM 1684 C GLY A 112 -3.507 -18.138 6.374 1.00 0.00 C ATOM 1685 O GLY A 112 -4.178 -17.110 6.347 1.00 0.00 O ATOM 0 H GLY A 112 -1.195 -16.225 7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.473 -18.762 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.786 -18.338 7.667 1.00 0.00 H new ATOM 1689 N LYS A 113 -4.004 -19.363 6.179 1.00 0.00 N ATOM 1690 CA LYS A 113 -5.340 -19.668 5.674 1.00 0.00 C ATOM 1691 C LYS A 113 -6.429 -18.665 6.112 1.00 0.00 C ATOM 1692 O LYS A 113 -6.600 -18.446 7.311 1.00 0.00 O ATOM 1693 CB LYS A 113 -5.724 -21.115 6.033 1.00 0.00 C ATOM 1694 CG LYS A 113 -5.728 -21.413 7.542 1.00 0.00 C ATOM 1695 CD LYS A 113 -6.285 -22.818 7.808 1.00 0.00 C ATOM 1696 CE LYS A 113 -6.345 -23.136 9.307 1.00 0.00 C ATOM 1697 NZ LYS A 113 -7.254 -22.229 10.034 1.00 0.00 N ATOM 0 H LYS A 113 -3.461 -20.203 6.378 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.290 -19.566 4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -6.715 -21.326 5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -5.028 -21.796 5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.715 -21.336 7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -6.332 -20.671 8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -7.284 -22.899 7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.661 -23.557 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.675 -24.166 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -5.344 -23.062 9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.408 -22.591 10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.831 -21.280 10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -8.164 -22.176 9.534 1.00 0.00 H new ATOM 1711 N PRO A 114 -7.210 -18.086 5.183 1.00 0.00 N ATOM 1712 CA PRO A 114 -7.128 -18.232 3.732 1.00 0.00 C ATOM 1713 C PRO A 114 -5.952 -17.430 3.160 1.00 0.00 C ATOM 1714 O PRO A 114 -5.455 -16.504 3.791 1.00 0.00 O ATOM 1715 CB PRO A 114 -8.462 -17.691 3.210 1.00 0.00 C ATOM 1716 CG PRO A 114 -8.825 -16.616 4.234 1.00 0.00 C ATOM 1717 CD PRO A 114 -8.299 -17.197 5.547 1.00 0.00 C ATOM 0 HA PRO A 114 -6.958 -19.267 3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.364 -17.276 2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.221 -18.472 3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -8.356 -15.661 3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -9.900 -16.442 4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.952 -16.406 6.212 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -9.084 -17.737 6.077 1.00 0.00 H new ATOM 1725 N SER A 115 -5.513 -17.769 1.945 1.00 0.00 N ATOM 1726 CA SER A 115 -4.442 -17.031 1.285 1.00 0.00 C ATOM 1727 C SER A 115 -4.995 -15.689 0.796 1.00 0.00 C ATOM 1728 O SER A 115 -5.651 -15.633 -0.243 1.00 0.00 O ATOM 1729 CB SER A 115 -3.855 -17.861 0.138 1.00 0.00 C ATOM 1730 OG SER A 115 -2.650 -17.273 -0.316 1.00 0.00 O ATOM 0 H SER A 115 -5.884 -18.549 1.402 1.00 0.00 H new ATOM 0 HA SER A 115 -3.630 -16.836 1.986 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.668 -18.881 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 115 -4.571 -17.922 -0.681 1.00 0.00 H new ATOM 0 HG SER A 115 -2.855 -16.477 -0.849 1.00 0.00 H new ATOM 1736 N VAL A 116 -4.771 -14.624 1.570 1.00 0.00 N ATOM 1737 CA VAL A 116 -5.251 -13.275 1.287 1.00 0.00 C ATOM 1738 C VAL A 116 -4.132 -12.268 1.592 1.00 0.00 C ATOM 1739 O VAL A 116 -3.326 -12.533 2.488 1.00 0.00 O ATOM 1740 CB VAL A 116 -6.545 -13.006 2.083 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -7.669 -13.956 1.655 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -6.341 -13.108 3.600 1.00 0.00 C ATOM 0 H VAL A 116 -4.235 -14.682 2.436 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.505 -13.166 0.233 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.829 -11.979 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.567 -13.741 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.879 -13.817 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -7.361 -14.987 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -7.285 -12.909 4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.996 -14.110 3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.597 -12.377 3.917 1.00 0.00 H new ATOM 1752 N PRO A 117 -4.030 -11.154 0.843 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.893 -10.236 0.880 1.00 0.00 C ATOM 1754 C PRO A 117 -2.757 -9.576 2.250 1.00 0.00 C ATOM 1755 O PRO A 117 -3.761 -9.150 2.817 1.00 0.00 O ATOM 1756 CB PRO A 117 -3.177 -9.196 -0.211 1.00 0.00 C ATOM 1757 CG PRO A 117 -4.703 -9.198 -0.290 1.00 0.00 C ATOM 1758 CD PRO A 117 -5.017 -10.680 -0.114 1.00 0.00 C ATOM 0 HA PRO A 117 -1.951 -10.756 0.707 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -2.787 -8.214 0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -2.722 -9.473 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.155 -8.588 0.492 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.065 -8.813 -1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.031 -10.829 0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.941 -11.216 -1.060 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.532 -9.490 2.789 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.346 -9.007 4.152 1.00 0.00 C ATOM 1768 C VAL A 118 0.017 -8.374 4.435 1.00 0.00 C ATOM 1769 O VAL A 118 0.103 -7.491 5.284 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.737 -10.121 5.141 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -0.672 -11.217 5.178 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -1.970 -9.603 6.558 1.00 0.00 C ATOM 0 H VAL A 118 -0.671 -9.746 2.305 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.019 -8.161 4.294 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.679 -10.529 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.972 -11.992 5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.564 -11.653 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.280 -10.789 5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -2.242 -10.434 7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.058 -9.135 6.929 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.776 -8.869 6.549 1.00 0.00 H new ATOM 1782 N HIS A 119 1.080 -8.806 3.753 1.00 0.00 N ATOM 1783 CA HIS A 119 2.418 -8.273 3.989 1.00 0.00 C ATOM 1784 C HIS A 119 2.892 -7.438 2.810 1.00 0.00 C ATOM 1785 O HIS A 119 3.268 -8.002 1.786 1.00 0.00 O ATOM 1786 CB HIS A 119 3.426 -9.404 4.216 1.00 0.00 C ATOM 1787 CG HIS A 119 3.352 -10.083 5.558 1.00 0.00 C ATOM 1788 ND1 HIS A 119 3.858 -9.570 6.739 1.00 0.00 N ATOM 1789 CD2 HIS A 119 2.923 -11.361 5.790 1.00 0.00 C ATOM 1790 CE1 HIS A 119 3.720 -10.520 7.681 1.00 0.00 C ATOM 1791 NE2 HIS A 119 3.152 -11.612 7.130 1.00 0.00 N ATOM 0 H HIS A 119 1.037 -9.526 3.031 1.00 0.00 H new ATOM 0 HA HIS A 119 2.358 -7.647 4.880 1.00 0.00 H new ATOM 0 HB2 HIS A 119 3.282 -10.156 3.440 1.00 0.00 H new ATOM 0 HB3 HIS A 119 4.431 -9.002 4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 119 2.491 -12.039 5.069 1.00 0.00 H new ATOM 0 HE1 HIS A 119 4.017 -10.424 8.715 1.00 0.00 H new ATOM 0 HE2 HIS A 119 2.929 -12.478 7.620 1.00 0.00 H new ATOM 1800 N PHE A 120 2.939 -6.113 2.958 1.00 0.00 N ATOM 1801 CA PHE A 120 3.660 -5.296 1.995 1.00 0.00 C ATOM 1802 C PHE A 120 5.153 -5.498 2.244 1.00 0.00 C ATOM 1803 O PHE A 120 5.622 -5.169 3.333 1.00 0.00 O ATOM 1804 CB PHE A 120 3.310 -3.810 2.124 1.00 0.00 C ATOM 1805 CG PHE A 120 4.096 -2.959 1.143 1.00 0.00 C ATOM 1806 CD1 PHE A 120 3.778 -3.002 -0.228 1.00 0.00 C ATOM 1807 CD2 PHE A 120 5.260 -2.289 1.564 1.00 0.00 C ATOM 1808 CE1 PHE A 120 4.597 -2.350 -1.166 1.00 0.00 C ATOM 1809 CE2 PHE A 120 6.075 -1.631 0.626 1.00 0.00 C ATOM 1810 CZ PHE A 120 5.739 -1.653 -0.738 1.00 0.00 C ATOM 0 H PHE A 120 2.496 -5.597 3.718 1.00 0.00 H new ATOM 0 HA PHE A 120 3.379 -5.602 0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.243 -3.672 1.951 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.515 -3.475 3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.901 -3.538 -0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.528 -2.280 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.348 -2.385 -2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.961 -1.108 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.358 -1.135 -1.456 1.00 0.00 H new ATOM 1820 N ASP A 121 5.886 -6.032 1.264 1.00 0.00 N ATOM 1821 CA ASP A 121 7.340 -6.082 1.319 1.00 0.00 C ATOM 1822 C ASP A 121 7.924 -4.898 0.552 1.00 0.00 C ATOM 1823 O ASP A 121 8.558 -4.032 1.151 1.00 0.00 O ATOM 1824 CB ASP A 121 7.861 -7.419 0.780 1.00 0.00 C ATOM 1825 CG ASP A 121 9.382 -7.410 0.655 1.00 0.00 C ATOM 1826 OD1 ASP A 121 10.041 -7.362 1.716 1.00 0.00 O ATOM 1827 OD2 ASP A 121 9.857 -7.458 -0.500 1.00 0.00 O ATOM 0 H ASP A 121 5.487 -6.438 0.418 1.00 0.00 H new ATOM 0 HA ASP A 121 7.662 -6.009 2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.553 -8.226 1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.415 -7.620 -0.194 1.00 0.00 H new ATOM 1832 N ALA A 122 7.753 -4.881 -0.772 1.00 0.00 N ATOM 1833 CA ALA A 122 8.448 -3.928 -1.626 1.00 0.00 C ATOM 1834 C ALA A 122 7.753 -3.785 -2.983 1.00 0.00 C ATOM 1835 O ALA A 122 6.617 -4.220 -3.179 1.00 0.00 O ATOM 1836 CB ALA A 122 9.909 -4.380 -1.785 1.00 0.00 C ATOM 0 H ALA A 122 7.136 -5.521 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 122 8.426 -2.942 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 122 10.441 -3.674 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 122 10.387 -4.416 -0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 122 9.936 -5.371 -2.239 1.00 0.00 H new ATOM 1842 N SER A 123 8.451 -3.174 -3.938 1.00 0.00 N ATOM 1843 CA SER A 123 8.021 -2.994 -5.309 1.00 0.00 C ATOM 1844 C SER A 123 9.272 -2.814 -6.160 1.00 0.00 C ATOM 1845 O SER A 123 10.370 -2.728 -5.609 1.00 0.00 O ATOM 1846 CB SER A 123 7.083 -1.785 -5.398 1.00 0.00 C ATOM 1847 OG SER A 123 7.661 -0.670 -4.744 1.00 0.00 O ATOM 0 H SER A 123 9.373 -2.775 -3.761 1.00 0.00 H new ATOM 0 HA SER A 123 7.463 -3.857 -5.673 1.00 0.00 H new ATOM 0 HB2 SER A 123 6.888 -1.543 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.123 -2.026 -4.942 1.00 0.00 H new ATOM 0 HG SER A 123 6.951 -0.098 -4.384 1.00 0.00 H new ATOM 1853 N VAL A 124 9.103 -2.780 -7.486 1.00 0.00 N ATOM 1854 CA VAL A 124 10.204 -2.730 -8.445 1.00 0.00 C ATOM 1855 C VAL A 124 11.313 -3.728 -8.057 1.00 0.00 C ATOM 1856 O VAL A 124 12.483 -3.317 -7.913 1.00 0.00 O ATOM 1857 CB VAL A 124 10.639 -1.270 -8.725 1.00 0.00 C ATOM 1858 CG1 VAL A 124 11.150 -0.485 -7.508 1.00 0.00 C ATOM 1859 CG2 VAL A 124 11.661 -1.175 -9.869 1.00 0.00 C ATOM 1860 OXT VAL A 124 10.949 -4.918 -7.923 1.00 0.00 O ATOM 0 H VAL A 124 8.183 -2.787 -7.926 1.00 0.00 H new ATOM 0 HA VAL A 124 9.873 -3.081 -9.422 1.00 0.00 H new ATOM 0 HB VAL A 124 9.707 -0.789 -9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.427 0.523 -7.816 1.00 0.00 H new ATOM 0 HG12 VAL A 124 10.365 -0.431 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 124 12.021 -0.989 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 124 11.935 -0.132 -10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 124 12.551 -1.748 -9.610 1.00 0.00 H new ATOM 0 HG23 VAL A 124 11.223 -1.577 -10.782 1.00 0.00 H new TER 1870 VAL A 124