USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 792 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 4 GLN : amide:sc= 0.298 K(o=-0.62,f=-1.4) USER MOD Set 1.2: A 26 TYR OH : rot 110:sc= -0.914 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.592 (180deg=-1.92!) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.00234 (180deg=-0.111) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -170:sc= 0.0272 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 94:sc= 1.3 USER MOD Single : A 17 GLN : amide:sc= 0.182 K(o=0.18,f=-0.4) USER MOD Single : A 19 LYS NZ :NH3+ -147:sc= -1.3 (180deg=-3.09!) USER MOD Single : A 28 THR OG1 : rot -109:sc= 0.886 USER MOD Single : A 30 CYS SG : rot -150:sc= -3.94! USER MOD Single : A 33 CYS SG : rot 114:sc= 0.191 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -165:sc= -1.18 (180deg=-1.88) USER MOD Single : A 39 MET CE :methyl -139:sc= -8.22! (180deg=-11.7!) USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 1.28 (180deg=0.528) USER MOD Single : A 44 SER OG : rot 166:sc= 0.734 USER MOD Single : A 46 GLN : amide:sc= -1.5 K(o=-1.5,f=-6.7!) USER MOD Single : A 47 TYR OH : rot 122:sc= -7.02! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 170:sc= 1.03 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.18) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.19) USER MOD Single : A 67 ASN : amide:sc= -11.1! C(o=-11!,f=-28!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -172:sc= -3.74! (180deg=-3.9!) USER MOD Single : A 74 THR OG1 : rot 126:sc= 0.575 USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= 1.17 (180deg=1.09) USER MOD Single : A 80 ASN : amide:sc= -1.88 K(o=-1.9,f=-4.8!) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= -0.0151 (180deg=-0.181) USER MOD Single : A 86 LYS NZ :NH3+ 170:sc=-0.00535 (180deg=-0.123) USER MOD Single : A 91 ASN : amide:sc= -2.03! C(o=-2!,f=-3!) USER MOD Single : A 96 LYS NZ :NH3+ -118:sc= -0.391 (180deg=-1.93!) USER MOD Single : A 97 GLN : amide:sc= -0.434 K(o=-0.43,f=-0.96) USER MOD Single : A 102 ASN : amide:sc= -2.15! K(o=-2.1!,f=-3.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.503 -6.507 10.072 1.00 0.00 N ATOM 2 CA MET A 1 -5.337 -5.728 10.548 1.00 0.00 C ATOM 3 C MET A 1 -4.359 -5.483 9.413 1.00 0.00 C ATOM 4 O MET A 1 -4.184 -6.333 8.547 1.00 0.00 O ATOM 5 CB MET A 1 -4.632 -6.451 11.688 1.00 0.00 C ATOM 6 CG MET A 1 -4.098 -7.827 11.331 1.00 0.00 C ATOM 7 SD MET A 1 -3.331 -8.627 12.748 1.00 0.00 S ATOM 8 CE MET A 1 -4.596 -8.321 13.977 1.00 0.00 C ATOM 0 H1 MET A 1 -6.708 -7.272 10.746 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.330 -5.882 9.996 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.290 -6.915 9.139 1.00 0.00 H new ATOM 0 HA MET A 1 -5.702 -4.769 10.914 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.804 -5.833 12.035 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.327 -6.551 12.522 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.912 -8.448 10.958 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.370 -7.738 10.525 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.535 -9.079 14.758 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.446 -7.335 14.416 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.578 -8.363 13.506 1.00 0.00 H new ATOM 20 N VAL A 2 -3.757 -4.303 9.401 1.00 0.00 N ATOM 21 CA VAL A 2 -2.746 -3.964 8.421 1.00 0.00 C ATOM 22 C VAL A 2 -1.448 -3.572 9.124 1.00 0.00 C ATOM 23 O VAL A 2 -1.454 -2.755 10.046 1.00 0.00 O ATOM 24 CB VAL A 2 -3.245 -2.835 7.503 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.166 -2.418 6.524 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.490 -3.289 6.765 1.00 0.00 C ATOM 0 H VAL A 2 -3.957 -3.559 10.069 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.547 -4.836 7.798 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.492 -1.968 8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.543 -1.619 5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.294 -2.063 7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.884 -3.272 5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.841 -2.487 6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.256 -4.167 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.269 -3.540 7.485 1.00 0.00 H new ATOM 36 N THR A 3 -0.347 -4.161 8.680 1.00 0.00 N ATOM 37 CA THR A 3 0.933 -4.055 9.378 1.00 0.00 C ATOM 38 C THR A 3 1.669 -2.749 9.059 1.00 0.00 C ATOM 39 O THR A 3 1.610 -2.242 7.944 1.00 0.00 O ATOM 40 CB THR A 3 1.824 -5.260 9.021 1.00 0.00 C ATOM 41 OG1 THR A 3 1.076 -6.470 9.197 1.00 0.00 O ATOM 42 CG2 THR A 3 3.073 -5.308 9.892 1.00 0.00 C ATOM 0 H THR A 3 -0.312 -4.724 7.830 1.00 0.00 H new ATOM 0 HA THR A 3 0.720 -4.052 10.447 1.00 0.00 H new ATOM 0 HB THR A 3 2.138 -5.155 7.983 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.639 -7.239 8.969 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.678 -6.170 9.613 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.652 -4.396 9.748 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.783 -5.392 10.939 1.00 0.00 H new ATOM 50 N GLN A 4 2.356 -2.219 10.060 1.00 0.00 N ATOM 51 CA GLN A 4 3.072 -0.954 9.946 1.00 0.00 C ATOM 52 C GLN A 4 4.515 -1.176 9.474 1.00 0.00 C ATOM 53 O GLN A 4 5.192 -2.088 9.945 1.00 0.00 O ATOM 54 CB GLN A 4 3.094 -0.277 11.314 1.00 0.00 C ATOM 55 CG GLN A 4 3.415 1.205 11.257 1.00 0.00 C ATOM 56 CD GLN A 4 2.264 2.007 10.699 1.00 0.00 C ATOM 57 OE1 GLN A 4 1.414 2.494 11.443 1.00 0.00 O ATOM 58 NE2 GLN A 4 2.219 2.134 9.386 1.00 0.00 N ATOM 0 H GLN A 4 2.434 -2.655 10.979 1.00 0.00 H new ATOM 0 HA GLN A 4 2.562 -0.329 9.213 1.00 0.00 H new ATOM 0 HB2 GLN A 4 2.123 -0.411 11.791 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.831 -0.775 11.944 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.656 1.563 12.258 1.00 0.00 H new ATOM 0 HG3 GLN A 4 4.300 1.362 10.640 1.00 0.00 H new ATOM 0 HE21 GLN A 4 2.946 1.713 8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.457 2.653 8.950 1.00 0.00 H new ATOM 67 N PHE A 5 4.968 -0.354 8.534 1.00 0.00 N ATOM 68 CA PHE A 5 6.381 -0.317 8.142 1.00 0.00 C ATOM 69 C PHE A 5 7.139 0.664 9.022 1.00 0.00 C ATOM 70 O PHE A 5 6.538 1.450 9.754 1.00 0.00 O ATOM 71 CB PHE A 5 6.536 0.142 6.694 1.00 0.00 C ATOM 72 CG PHE A 5 6.200 -0.876 5.639 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.302 -2.236 5.888 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.818 -0.460 4.375 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.027 -3.155 4.895 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.537 -1.374 3.382 1.00 0.00 C ATOM 77 CZ PHE A 5 5.644 -2.724 3.641 1.00 0.00 C ATOM 0 H PHE A 5 4.376 0.302 8.024 1.00 0.00 H new ATOM 0 HA PHE A 5 6.779 -1.326 8.254 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.903 1.016 6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.566 0.464 6.544 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.599 -2.580 6.868 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.739 0.596 4.164 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.112 -4.212 5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.234 -1.033 2.403 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.429 -3.443 2.864 1.00 0.00 H new ATOM 87 N LYS A 6 8.460 0.613 8.944 1.00 0.00 N ATOM 88 CA LYS A 6 9.303 1.563 9.650 1.00 0.00 C ATOM 89 C LYS A 6 10.416 2.093 8.746 1.00 0.00 C ATOM 90 O LYS A 6 10.982 3.150 9.008 1.00 0.00 O ATOM 91 CB LYS A 6 9.898 0.925 10.911 1.00 0.00 C ATOM 92 CG LYS A 6 10.648 -0.369 10.644 1.00 0.00 C ATOM 93 CD LYS A 6 11.162 -0.994 11.929 1.00 0.00 C ATOM 94 CE LYS A 6 11.766 -2.365 11.672 1.00 0.00 C ATOM 95 NZ LYS A 6 12.263 -2.999 12.919 1.00 0.00 N ATOM 0 H LYS A 6 8.972 -0.079 8.397 1.00 0.00 H new ATOM 0 HA LYS A 6 8.678 2.406 9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.575 1.637 11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.095 0.730 11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.990 -1.073 10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.485 -0.173 9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.911 -0.342 12.379 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.345 -1.082 12.645 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.018 -3.010 11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.587 -2.271 10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.666 -3.932 12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.996 -2.397 13.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.475 -3.113 13.588 1.00 0.00 H new ATOM 109 N THR A 7 10.728 1.355 7.683 1.00 0.00 N ATOM 110 CA THR A 7 11.808 1.737 6.777 1.00 0.00 C ATOM 111 C THR A 7 11.485 1.352 5.336 1.00 0.00 C ATOM 112 O THR A 7 10.474 0.692 5.071 1.00 0.00 O ATOM 113 CB THR A 7 13.135 1.056 7.169 1.00 0.00 C ATOM 114 OG1 THR A 7 12.917 -0.349 7.357 1.00 0.00 O ATOM 115 CG2 THR A 7 13.727 1.661 8.434 1.00 0.00 C ATOM 0 H THR A 7 10.249 0.491 7.428 1.00 0.00 H new ATOM 0 HA THR A 7 11.911 2.819 6.856 1.00 0.00 H new ATOM 0 HB THR A 7 13.848 1.217 6.360 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.715 -0.753 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.661 1.154 8.677 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.921 2.722 8.274 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.024 1.541 9.258 1.00 0.00 H new ATOM 123 N ALA A 8 12.349 1.749 4.408 1.00 0.00 N ATOM 124 CA ALA A 8 12.221 1.321 3.023 1.00 0.00 C ATOM 125 C ALA A 8 12.567 -0.151 2.912 1.00 0.00 C ATOM 126 O ALA A 8 12.077 -0.852 2.025 1.00 0.00 O ATOM 127 CB ALA A 8 13.108 2.144 2.107 1.00 0.00 C ATOM 0 H ALA A 8 13.142 2.364 4.590 1.00 0.00 H new ATOM 0 HA ALA A 8 11.189 1.475 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.989 1.799 1.080 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.824 3.194 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.149 2.030 2.410 1.00 0.00 H new ATOM 133 N SER A 9 13.413 -0.611 3.827 1.00 0.00 N ATOM 134 CA SER A 9 13.730 -2.022 3.929 1.00 0.00 C ATOM 135 C SER A 9 12.451 -2.808 4.192 1.00 0.00 C ATOM 136 O SER A 9 12.215 -3.843 3.573 1.00 0.00 O ATOM 137 CB SER A 9 14.752 -2.264 5.043 1.00 0.00 C ATOM 138 OG SER A 9 15.174 -3.620 5.074 1.00 0.00 O ATOM 0 H SER A 9 13.891 -0.021 4.509 1.00 0.00 H new ATOM 0 HA SER A 9 14.171 -2.360 2.991 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.616 -1.616 4.893 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.315 -1.995 6.005 1.00 0.00 H new ATOM 0 HG SER A 9 15.827 -3.743 5.794 1.00 0.00 H new ATOM 144 N GLU A 10 11.614 -2.295 5.098 1.00 0.00 N ATOM 145 CA GLU A 10 10.304 -2.876 5.337 1.00 0.00 C ATOM 146 C GLU A 10 9.494 -2.963 4.054 1.00 0.00 C ATOM 147 O GLU A 10 8.895 -4.000 3.758 1.00 0.00 O ATOM 148 CB GLU A 10 9.542 -2.055 6.354 1.00 0.00 C ATOM 149 CG GLU A 10 9.871 -2.442 7.766 1.00 0.00 C ATOM 150 CD GLU A 10 9.371 -3.825 8.124 1.00 0.00 C ATOM 151 OE1 GLU A 10 8.167 -4.099 7.948 1.00 0.00 O ATOM 152 OE2 GLU A 10 10.185 -4.651 8.581 1.00 0.00 O ATOM 0 H GLU A 10 11.826 -1.480 5.674 1.00 0.00 H new ATOM 0 HA GLU A 10 10.458 -3.885 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.769 -0.999 6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.472 -2.177 6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.951 -2.403 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.434 -1.714 8.449 1.00 0.00 H new ATOM 159 N PHE A 11 9.487 -1.865 3.299 1.00 0.00 N ATOM 160 CA PHE A 11 8.732 -1.792 2.053 1.00 0.00 C ATOM 161 C PHE A 11 9.215 -2.874 1.096 1.00 0.00 C ATOM 162 O PHE A 11 8.453 -3.746 0.690 1.00 0.00 O ATOM 163 CB PHE A 11 8.887 -0.397 1.416 1.00 0.00 C ATOM 164 CG PHE A 11 7.860 -0.069 0.358 1.00 0.00 C ATOM 165 CD1 PHE A 11 7.968 -0.582 -0.925 1.00 0.00 C ATOM 166 CD2 PHE A 11 6.789 0.767 0.647 1.00 0.00 C ATOM 167 CE1 PHE A 11 7.028 -0.271 -1.892 1.00 0.00 C ATOM 168 CE2 PHE A 11 5.849 1.078 -0.323 1.00 0.00 C ATOM 169 CZ PHE A 11 5.971 0.557 -1.588 1.00 0.00 C ATOM 0 H PHE A 11 9.998 -1.013 3.531 1.00 0.00 H new ATOM 0 HA PHE A 11 7.675 -1.955 2.265 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.831 0.355 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.881 -0.323 0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 11 8.795 -1.231 -1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.687 1.180 1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.124 -0.679 -2.887 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.021 1.729 -0.084 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.238 0.797 -2.344 1.00 0.00 H new ATOM 179 N ASP A 12 10.503 -2.830 0.800 1.00 0.00 N ATOM 180 CA ASP A 12 11.126 -3.725 -0.175 1.00 0.00 C ATOM 181 C ASP A 12 10.986 -5.193 0.230 1.00 0.00 C ATOM 182 O ASP A 12 10.712 -6.048 -0.610 1.00 0.00 O ATOM 183 CB ASP A 12 12.604 -3.362 -0.319 1.00 0.00 C ATOM 184 CG ASP A 12 13.284 -4.097 -1.453 1.00 0.00 C ATOM 185 OD1 ASP A 12 13.272 -3.574 -2.588 1.00 0.00 O ATOM 186 OD2 ASP A 12 13.853 -5.182 -1.216 1.00 0.00 O ATOM 0 H ASP A 12 11.153 -2.171 1.228 1.00 0.00 H new ATOM 0 HA ASP A 12 10.614 -3.599 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.695 -2.288 -0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.121 -3.587 0.614 1.00 0.00 H new ATOM 191 N SER A 13 11.160 -5.478 1.519 1.00 0.00 N ATOM 192 CA SER A 13 11.058 -6.847 2.018 1.00 0.00 C ATOM 193 C SER A 13 9.660 -7.414 1.791 1.00 0.00 C ATOM 194 O SER A 13 9.507 -8.582 1.428 1.00 0.00 O ATOM 195 CB SER A 13 11.411 -6.903 3.504 1.00 0.00 C ATOM 196 OG SER A 13 12.727 -6.427 3.730 1.00 0.00 O ATOM 0 H SER A 13 11.371 -4.782 2.234 1.00 0.00 H new ATOM 0 HA SER A 13 11.769 -7.458 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.701 -6.304 4.073 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.324 -7.928 3.864 1.00 0.00 H new ATOM 0 HG SER A 13 12.696 -5.474 3.958 1.00 0.00 H new ATOM 202 N ALA A 14 8.641 -6.585 2.001 1.00 0.00 N ATOM 203 CA ALA A 14 7.276 -6.989 1.725 1.00 0.00 C ATOM 204 C ALA A 14 7.100 -7.209 0.230 1.00 0.00 C ATOM 205 O ALA A 14 6.506 -8.191 -0.201 1.00 0.00 O ATOM 206 CB ALA A 14 6.283 -5.948 2.238 1.00 0.00 C ATOM 0 H ALA A 14 8.739 -5.635 2.360 1.00 0.00 H new ATOM 0 HA ALA A 14 7.075 -7.924 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.267 -6.275 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.402 -5.832 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.471 -4.993 1.747 1.00 0.00 H new ATOM 212 N ILE A 15 7.668 -6.298 -0.550 1.00 0.00 N ATOM 213 CA ILE A 15 7.555 -6.331 -2.004 1.00 0.00 C ATOM 214 C ILE A 15 8.136 -7.616 -2.591 1.00 0.00 C ATOM 215 O ILE A 15 7.564 -8.205 -3.507 1.00 0.00 O ATOM 216 CB ILE A 15 8.297 -5.144 -2.648 1.00 0.00 C ATOM 217 CG1 ILE A 15 7.780 -3.803 -2.147 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.193 -5.186 -4.154 1.00 0.00 C ATOM 219 CD1 ILE A 15 6.294 -3.769 -1.855 1.00 0.00 C ATOM 0 H ILE A 15 8.219 -5.517 -0.194 1.00 0.00 H new ATOM 0 HA ILE A 15 6.489 -6.276 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 15 9.342 -5.241 -2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.321 -3.536 -1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.008 -3.040 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.726 -4.336 -4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.633 -6.112 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.144 -5.140 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.015 -2.776 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.739 -4.002 -2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.057 -4.505 -1.087 1.00 0.00 H new ATOM 231 N ALA A 16 9.264 -8.050 -2.038 1.00 0.00 N ATOM 232 CA ALA A 16 10.034 -9.160 -2.602 1.00 0.00 C ATOM 233 C ALA A 16 9.377 -10.516 -2.360 1.00 0.00 C ATOM 234 O ALA A 16 9.959 -11.560 -2.657 1.00 0.00 O ATOM 235 CB ALA A 16 11.446 -9.152 -2.039 1.00 0.00 C ATOM 0 H ALA A 16 9.670 -7.648 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 16 10.067 -9.012 -3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.012 -9.981 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.934 -8.211 -2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.406 -9.258 -0.955 1.00 0.00 H new ATOM 241 N GLN A 17 8.168 -10.498 -1.836 1.00 0.00 N ATOM 242 CA GLN A 17 7.423 -11.706 -1.584 1.00 0.00 C ATOM 243 C GLN A 17 6.697 -12.164 -2.841 1.00 0.00 C ATOM 244 O GLN A 17 6.278 -11.345 -3.661 1.00 0.00 O ATOM 245 CB GLN A 17 6.422 -11.441 -0.475 1.00 0.00 C ATOM 246 CG GLN A 17 7.061 -11.261 0.889 1.00 0.00 C ATOM 247 CD GLN A 17 6.068 -10.875 1.968 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.212 -11.266 3.125 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.088 -10.060 1.616 1.00 0.00 N ATOM 0 H GLN A 17 7.678 -9.643 -1.574 1.00 0.00 H new ATOM 0 HA GLN A 17 8.111 -12.496 -1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.849 -10.546 -0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.715 -12.269 -0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.557 -12.188 1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.833 -10.494 0.823 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.000 -9.757 0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.420 -9.734 2.314 1.00 0.00 H new ATOM 258 N ASP A 18 6.530 -13.472 -2.983 1.00 0.00 N ATOM 259 CA ASP A 18 5.828 -14.037 -4.131 1.00 0.00 C ATOM 260 C ASP A 18 4.319 -14.010 -3.885 1.00 0.00 C ATOM 261 O ASP A 18 3.606 -14.986 -4.114 1.00 0.00 O ATOM 262 CB ASP A 18 6.308 -15.470 -4.399 1.00 0.00 C ATOM 263 CG ASP A 18 5.822 -16.019 -5.729 1.00 0.00 C ATOM 264 OD1 ASP A 18 6.359 -15.605 -6.780 1.00 0.00 O ATOM 265 OD2 ASP A 18 4.904 -16.869 -5.731 1.00 0.00 O ATOM 0 H ASP A 18 6.872 -14.164 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 18 6.048 -13.434 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.398 -15.492 -4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.961 -16.120 -3.595 1.00 0.00 H new ATOM 270 N LYS A 19 3.845 -12.880 -3.387 1.00 0.00 N ATOM 271 CA LYS A 19 2.429 -12.674 -3.139 1.00 0.00 C ATOM 272 C LYS A 19 2.078 -11.227 -3.437 1.00 0.00 C ATOM 273 O LYS A 19 2.969 -10.397 -3.614 1.00 0.00 O ATOM 274 CB LYS A 19 2.080 -13.019 -1.685 1.00 0.00 C ATOM 275 CG LYS A 19 2.816 -12.170 -0.658 1.00 0.00 C ATOM 276 CD LYS A 19 2.457 -12.548 0.776 1.00 0.00 C ATOM 277 CE LYS A 19 3.203 -13.787 1.271 1.00 0.00 C ATOM 278 NZ LYS A 19 2.782 -15.037 0.580 1.00 0.00 N ATOM 0 H LYS A 19 4.431 -12.081 -3.144 1.00 0.00 H new ATOM 0 HA LYS A 19 1.851 -13.331 -3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.006 -12.898 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.309 -14.069 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.891 -12.282 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.580 -11.119 -0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.681 -11.709 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.384 -12.727 0.841 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.273 -13.641 1.126 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.039 -13.898 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.843 -15.837 1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.802 -14.937 0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.407 -15.212 -0.233 1.00 0.00 H new ATOM 292 N LEU A 20 0.792 -10.928 -3.502 1.00 0.00 N ATOM 293 CA LEU A 20 0.349 -9.576 -3.784 1.00 0.00 C ATOM 294 C LEU A 20 0.455 -8.737 -2.522 1.00 0.00 C ATOM 295 O LEU A 20 -0.194 -9.021 -1.513 1.00 0.00 O ATOM 296 CB LEU A 20 -1.091 -9.588 -4.316 1.00 0.00 C ATOM 297 CG LEU A 20 -1.573 -8.308 -5.017 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.746 -7.161 -4.040 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.606 -7.915 -6.112 1.00 0.00 C ATOM 0 H LEU A 20 0.039 -11.602 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 20 0.986 -9.137 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.189 -10.418 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.761 -9.793 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.548 -8.521 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.088 -6.275 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.482 -7.435 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.792 -6.948 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.959 -7.007 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.379 -7.736 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.540 -8.719 -6.845 1.00 0.00 H new ATOM 311 N VAL A 21 1.288 -7.717 -2.584 1.00 0.00 N ATOM 312 CA VAL A 21 1.499 -6.840 -1.454 1.00 0.00 C ATOM 313 C VAL A 21 0.863 -5.487 -1.714 1.00 0.00 C ATOM 314 O VAL A 21 1.167 -4.831 -2.712 1.00 0.00 O ATOM 315 CB VAL A 21 3.000 -6.655 -1.176 1.00 0.00 C ATOM 316 CG1 VAL A 21 3.224 -5.825 0.080 1.00 0.00 C ATOM 317 CG2 VAL A 21 3.678 -8.008 -1.059 1.00 0.00 C ATOM 0 H VAL A 21 1.832 -7.476 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 21 1.034 -7.298 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 21 3.443 -6.114 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.294 -5.709 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.769 -4.843 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.770 -6.328 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.741 -7.867 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.229 -8.570 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.552 -8.560 -1.990 1.00 0.00 H new ATOM 327 N VAL A 22 -0.031 -5.084 -0.829 1.00 0.00 N ATOM 328 CA VAL A 22 -0.672 -3.788 -0.937 1.00 0.00 C ATOM 329 C VAL A 22 -0.111 -2.863 0.116 1.00 0.00 C ATOM 330 O VAL A 22 -0.317 -3.073 1.315 1.00 0.00 O ATOM 331 CB VAL A 22 -2.195 -3.878 -0.751 1.00 0.00 C ATOM 332 CG1 VAL A 22 -2.854 -2.533 -1.022 1.00 0.00 C ATOM 333 CG2 VAL A 22 -2.779 -4.959 -1.638 1.00 0.00 C ATOM 0 H VAL A 22 -0.329 -5.638 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.473 -3.407 -1.939 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.397 -4.146 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.932 -2.621 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.460 -1.789 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.643 -2.224 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.858 -5.006 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.564 -4.729 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.335 -5.921 -1.380 1.00 0.00 H new ATOM 343 N VAL A 23 0.612 -1.854 -0.317 1.00 0.00 N ATOM 344 CA VAL A 23 1.204 -0.936 0.621 1.00 0.00 C ATOM 345 C VAL A 23 0.385 0.327 0.727 1.00 0.00 C ATOM 346 O VAL A 23 0.149 1.030 -0.259 1.00 0.00 O ATOM 347 CB VAL A 23 2.655 -0.584 0.282 1.00 0.00 C ATOM 348 CG1 VAL A 23 3.220 0.346 1.346 1.00 0.00 C ATOM 349 CG2 VAL A 23 3.489 -1.846 0.173 1.00 0.00 C ATOM 0 H VAL A 23 0.801 -1.653 -1.299 1.00 0.00 H new ATOM 0 HA VAL A 23 1.211 -1.450 1.582 1.00 0.00 H new ATOM 0 HB VAL A 23 2.685 -0.073 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.253 0.594 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.626 1.259 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.186 -0.149 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.519 -1.582 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.465 -2.381 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.084 -2.483 -0.613 1.00 0.00 H new ATOM 359 N ALA A 24 -0.046 0.585 1.935 1.00 0.00 N ATOM 360 CA ALA A 24 -0.830 1.751 2.253 1.00 0.00 C ATOM 361 C ALA A 24 0.087 2.931 2.524 1.00 0.00 C ATOM 362 O ALA A 24 0.606 3.084 3.631 1.00 0.00 O ATOM 363 CB ALA A 24 -1.669 1.466 3.490 1.00 0.00 C ATOM 0 H ALA A 24 0.140 -0.017 2.737 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.481 1.991 1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.265 2.345 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.331 0.622 3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.013 1.226 4.327 1.00 0.00 H new ATOM 369 N PHE A 25 0.301 3.752 1.522 1.00 0.00 N ATOM 370 CA PHE A 25 1.143 4.915 1.676 1.00 0.00 C ATOM 371 C PHE A 25 0.293 6.140 1.955 1.00 0.00 C ATOM 372 O PHE A 25 -0.637 6.445 1.215 1.00 0.00 O ATOM 373 CB PHE A 25 1.979 5.133 0.422 1.00 0.00 C ATOM 374 CG PHE A 25 3.414 5.393 0.728 1.00 0.00 C ATOM 375 CD1 PHE A 25 4.292 4.339 0.880 1.00 0.00 C ATOM 376 CD2 PHE A 25 3.887 6.684 0.865 1.00 0.00 C ATOM 377 CE1 PHE A 25 5.619 4.566 1.159 1.00 0.00 C ATOM 378 CE2 PHE A 25 5.214 6.917 1.144 1.00 0.00 C ATOM 379 CZ PHE A 25 6.083 5.857 1.290 1.00 0.00 C ATOM 0 H PHE A 25 -0.097 3.636 0.590 1.00 0.00 H new ATOM 0 HA PHE A 25 1.814 4.751 2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.901 4.255 -0.219 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.573 5.974 -0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.933 3.325 0.779 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.209 7.517 0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.297 3.733 1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.575 7.930 1.249 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.125 6.038 1.507 1.00 0.00 H new ATOM 389 N TYR A 26 0.599 6.834 3.030 1.00 0.00 N ATOM 390 CA TYR A 26 -0.162 8.006 3.411 1.00 0.00 C ATOM 391 C TYR A 26 0.719 8.999 4.138 1.00 0.00 C ATOM 392 O TYR A 26 1.923 8.800 4.255 1.00 0.00 O ATOM 393 CB TYR A 26 -1.343 7.602 4.294 1.00 0.00 C ATOM 394 CG TYR A 26 -0.980 6.644 5.411 1.00 0.00 C ATOM 395 CD1 TYR A 26 -0.266 7.067 6.527 1.00 0.00 C ATOM 396 CD2 TYR A 26 -1.365 5.317 5.349 1.00 0.00 C ATOM 397 CE1 TYR A 26 0.056 6.187 7.543 1.00 0.00 C ATOM 398 CE2 TYR A 26 -1.051 4.430 6.356 1.00 0.00 C ATOM 399 CZ TYR A 26 -0.338 4.869 7.455 1.00 0.00 C ATOM 400 OH TYR A 26 -0.020 3.990 8.468 1.00 0.00 O ATOM 0 H TYR A 26 1.371 6.607 3.657 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.543 8.481 2.507 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.782 8.500 4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.109 7.142 3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.042 8.100 6.601 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.924 4.968 4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.614 6.530 8.402 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.361 3.398 6.286 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.834 3.745 8.956 1.00 0.00 H new ATOM 410 N ALA A 27 0.109 10.066 4.619 1.00 0.00 N ATOM 411 CA ALA A 27 0.816 11.076 5.376 1.00 0.00 C ATOM 412 C ALA A 27 0.034 11.414 6.628 1.00 0.00 C ATOM 413 O ALA A 27 -1.165 11.677 6.564 1.00 0.00 O ATOM 414 CB ALA A 27 1.027 12.320 4.534 1.00 0.00 C ATOM 0 H ALA A 27 -0.886 10.255 4.496 1.00 0.00 H new ATOM 0 HA ALA A 27 1.794 10.686 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.560 13.069 5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.612 12.066 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.061 12.720 4.227 1.00 0.00 H new ATOM 420 N THR A 28 0.716 11.398 7.759 1.00 0.00 N ATOM 421 CA THR A 28 0.085 11.660 9.043 1.00 0.00 C ATOM 422 C THR A 28 -0.427 13.093 9.145 1.00 0.00 C ATOM 423 O THR A 28 -1.282 13.397 9.975 1.00 0.00 O ATOM 424 CB THR A 28 1.056 11.371 10.198 1.00 0.00 C ATOM 425 OG1 THR A 28 2.355 11.893 9.884 1.00 0.00 O ATOM 426 CG2 THR A 28 1.147 9.877 10.461 1.00 0.00 C ATOM 0 H THR A 28 1.716 11.205 7.815 1.00 0.00 H new ATOM 0 HA THR A 28 -0.771 10.990 9.118 1.00 0.00 H new ATOM 0 HB THR A 28 0.680 11.858 11.098 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.970 11.152 9.700 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.840 9.694 11.282 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.161 9.493 10.725 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.505 9.371 9.565 1.00 0.00 H new ATOM 434 N TRP A 29 0.095 13.972 8.297 1.00 0.00 N ATOM 435 CA TRP A 29 -0.373 15.349 8.254 1.00 0.00 C ATOM 436 C TRP A 29 -1.603 15.470 7.354 1.00 0.00 C ATOM 437 O TRP A 29 -2.318 16.474 7.382 1.00 0.00 O ATOM 438 CB TRP A 29 0.748 16.293 7.777 1.00 0.00 C ATOM 439 CG TRP A 29 1.317 15.974 6.417 1.00 0.00 C ATOM 440 CD1 TRP A 29 2.505 15.349 6.144 1.00 0.00 C ATOM 441 CD2 TRP A 29 0.733 16.285 5.143 1.00 0.00 C ATOM 442 NE1 TRP A 29 2.686 15.251 4.786 1.00 0.00 N ATOM 443 CE2 TRP A 29 1.613 15.815 4.152 1.00 0.00 C ATOM 444 CE3 TRP A 29 -0.453 16.909 4.747 1.00 0.00 C ATOM 445 CZ2 TRP A 29 1.343 15.954 2.793 1.00 0.00 C ATOM 446 CZ3 TRP A 29 -0.719 17.046 3.401 1.00 0.00 C ATOM 447 CH2 TRP A 29 0.175 16.568 2.437 1.00 0.00 C ATOM 0 H TRP A 29 0.839 13.755 7.634 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.657 15.645 9.264 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.362 17.312 7.762 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.557 16.269 8.507 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.198 14.986 6.888 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.491 14.826 4.325 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.151 17.278 5.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.033 15.589 2.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.632 17.530 3.086 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.063 16.687 1.390 1.00 0.00 H new ATOM 458 N CYS A 30 -1.857 14.428 6.574 1.00 0.00 N ATOM 459 CA CYS A 30 -2.918 14.451 5.579 1.00 0.00 C ATOM 460 C CYS A 30 -4.231 13.946 6.177 1.00 0.00 C ATOM 461 O CYS A 30 -4.261 12.952 6.905 1.00 0.00 O ATOM 462 CB CYS A 30 -2.514 13.594 4.375 1.00 0.00 C ATOM 463 SG CYS A 30 -3.651 13.680 2.973 1.00 0.00 S ATOM 0 H CYS A 30 -1.338 13.551 6.613 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.070 15.479 5.251 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.523 13.903 4.042 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.432 12.556 4.696 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.626 12.554 2.324 1.00 0.00 H new ATOM 469 N GLY A 31 -5.311 14.652 5.858 1.00 0.00 N ATOM 470 CA GLY A 31 -6.628 14.313 6.371 1.00 0.00 C ATOM 471 C GLY A 31 -7.209 13.044 5.763 1.00 0.00 C ATOM 472 O GLY A 31 -7.579 12.129 6.500 1.00 0.00 O ATOM 0 H GLY A 31 -5.296 15.466 5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.568 14.193 7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.308 15.143 6.179 1.00 0.00 H new ATOM 476 N PRO A 32 -7.316 12.956 4.417 1.00 0.00 N ATOM 477 CA PRO A 32 -7.854 11.765 3.726 1.00 0.00 C ATOM 478 C PRO A 32 -7.047 10.481 3.967 1.00 0.00 C ATOM 479 O PRO A 32 -7.352 9.436 3.397 1.00 0.00 O ATOM 480 CB PRO A 32 -7.799 12.150 2.243 1.00 0.00 C ATOM 481 CG PRO A 32 -7.754 13.636 2.233 1.00 0.00 C ATOM 482 CD PRO A 32 -6.983 14.026 3.459 1.00 0.00 C ATOM 0 HA PRO A 32 -8.851 11.527 4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.921 11.725 1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.671 11.778 1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.268 14.007 1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.759 14.058 2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.912 14.073 3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.283 15.006 3.829 1.00 0.00 H new ATOM 490 N CYS A 33 -6.021 10.561 4.810 1.00 0.00 N ATOM 491 CA CYS A 33 -5.258 9.382 5.216 1.00 0.00 C ATOM 492 C CYS A 33 -6.173 8.360 5.887 1.00 0.00 C ATOM 493 O CYS A 33 -5.961 7.138 5.803 1.00 0.00 O ATOM 494 CB CYS A 33 -4.144 9.794 6.181 1.00 0.00 C ATOM 495 SG CYS A 33 -3.329 8.411 7.008 1.00 0.00 S ATOM 0 H CYS A 33 -5.697 11.434 5.227 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.818 8.927 4.329 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.396 10.365 5.631 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.561 10.459 6.937 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.090 8.343 6.620 1.00 0.00 H new ATOM 501 N LYS A 34 -7.214 8.872 6.527 1.00 0.00 N ATOM 502 CA LYS A 34 -8.166 8.037 7.237 1.00 0.00 C ATOM 503 C LYS A 34 -8.977 7.181 6.274 1.00 0.00 C ATOM 504 O LYS A 34 -9.716 6.306 6.704 1.00 0.00 O ATOM 505 CB LYS A 34 -9.104 8.894 8.084 1.00 0.00 C ATOM 506 CG LYS A 34 -10.041 9.765 7.265 1.00 0.00 C ATOM 507 CD LYS A 34 -11.031 10.502 8.147 1.00 0.00 C ATOM 508 CE LYS A 34 -12.054 11.253 7.317 1.00 0.00 C ATOM 509 NZ LYS A 34 -13.056 11.940 8.167 1.00 0.00 N ATOM 0 H LYS A 34 -7.420 9.870 6.568 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.599 7.375 7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.696 8.243 8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.509 9.531 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.459 10.485 6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.581 9.146 6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.539 9.792 8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.498 11.201 8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.546 11.986 6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.561 10.557 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.738 12.442 7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.559 11.238 8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.575 12.622 8.788 1.00 0.00 H new ATOM 523 N MET A 35 -8.851 7.435 4.974 1.00 0.00 N ATOM 524 CA MET A 35 -9.548 6.625 3.987 1.00 0.00 C ATOM 525 C MET A 35 -8.801 5.314 3.802 1.00 0.00 C ATOM 526 O MET A 35 -9.399 4.245 3.675 1.00 0.00 O ATOM 527 CB MET A 35 -9.640 7.358 2.649 1.00 0.00 C ATOM 528 CG MET A 35 -11.000 7.238 1.971 1.00 0.00 C ATOM 529 SD MET A 35 -11.589 5.534 1.861 1.00 0.00 S ATOM 530 CE MET A 35 -12.998 5.725 0.775 1.00 0.00 C ATOM 0 H MET A 35 -8.280 8.186 4.586 1.00 0.00 H new ATOM 0 HA MET A 35 -10.560 6.431 4.341 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.416 8.413 2.808 1.00 0.00 H new ATOM 0 HB3 MET A 35 -8.875 6.967 1.978 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.728 7.833 2.523 1.00 0.00 H new ATOM 0 HG3 MET A 35 -10.938 7.660 0.968 1.00 0.00 H new ATOM 0 HE1 MET A 35 -13.618 4.829 0.822 1.00 0.00 H new ATOM 0 HE2 MET A 35 -13.584 6.589 1.088 1.00 0.00 H new ATOM 0 HE3 MET A 35 -12.652 5.873 -0.248 1.00 0.00 H new ATOM 540 N ILE A 36 -7.479 5.404 3.832 1.00 0.00 N ATOM 541 CA ILE A 36 -6.633 4.245 3.616 1.00 0.00 C ATOM 542 C ILE A 36 -6.628 3.344 4.838 1.00 0.00 C ATOM 543 O ILE A 36 -6.430 2.134 4.724 1.00 0.00 O ATOM 544 CB ILE A 36 -5.196 4.687 3.242 1.00 0.00 C ATOM 545 CG1 ILE A 36 -4.976 4.541 1.741 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.137 3.915 4.009 1.00 0.00 C ATOM 547 CD1 ILE A 36 -6.088 5.144 0.920 1.00 0.00 C ATOM 0 H ILE A 36 -6.971 6.271 4.005 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.040 3.671 2.783 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.095 5.735 3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.033 5.016 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.882 3.483 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.147 4.261 3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.272 4.077 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.231 2.852 3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.873 5.008 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.029 4.652 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.167 6.209 1.140 1.00 0.00 H new ATOM 559 N ALA A 37 -6.894 3.926 5.996 1.00 0.00 N ATOM 560 CA ALA A 37 -6.985 3.145 7.219 1.00 0.00 C ATOM 561 C ALA A 37 -8.023 2.001 7.098 1.00 0.00 C ATOM 562 O ALA A 37 -7.632 0.829 7.108 1.00 0.00 O ATOM 563 CB ALA A 37 -7.261 4.050 8.415 1.00 0.00 C ATOM 0 H ALA A 37 -7.049 4.927 6.115 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.020 2.665 7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.326 3.447 9.321 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.452 4.774 8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.203 4.577 8.263 1.00 0.00 H new ATOM 569 N PRO A 38 -9.343 2.286 6.953 1.00 0.00 N ATOM 570 CA PRO A 38 -10.361 1.234 6.943 1.00 0.00 C ATOM 571 C PRO A 38 -10.562 0.560 5.579 1.00 0.00 C ATOM 572 O PRO A 38 -10.981 -0.592 5.522 1.00 0.00 O ATOM 573 CB PRO A 38 -11.621 1.982 7.360 1.00 0.00 C ATOM 574 CG PRO A 38 -11.442 3.336 6.781 1.00 0.00 C ATOM 575 CD PRO A 38 -9.960 3.611 6.799 1.00 0.00 C ATOM 0 HA PRO A 38 -10.079 0.408 7.595 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.518 1.498 6.974 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.721 2.022 8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.833 3.379 5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.983 4.082 7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.635 4.096 5.879 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.689 4.273 7.621 1.00 0.00 H new ATOM 583 N MET A 39 -10.277 1.262 4.481 1.00 0.00 N ATOM 584 CA MET A 39 -10.514 0.703 3.150 1.00 0.00 C ATOM 585 C MET A 39 -9.481 -0.373 2.853 1.00 0.00 C ATOM 586 O MET A 39 -9.790 -1.413 2.269 1.00 0.00 O ATOM 587 CB MET A 39 -10.487 1.832 2.100 1.00 0.00 C ATOM 588 CG MET A 39 -10.453 1.376 0.645 1.00 0.00 C ATOM 589 SD MET A 39 -8.803 0.897 0.090 1.00 0.00 S ATOM 590 CE MET A 39 -7.808 2.189 0.831 1.00 0.00 C ATOM 0 H MET A 39 -9.888 2.205 4.486 1.00 0.00 H new ATOM 0 HA MET A 39 -11.498 0.237 3.111 1.00 0.00 H new ATOM 0 HB2 MET A 39 -11.366 2.460 2.245 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.614 2.457 2.287 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.131 0.532 0.519 1.00 0.00 H new ATOM 0 HG3 MET A 39 -10.824 2.180 0.010 1.00 0.00 H new ATOM 0 HE1 MET A 39 -7.044 2.511 0.123 1.00 0.00 H new ATOM 0 HE2 MET A 39 -8.444 3.036 1.088 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.329 1.808 1.733 1.00 0.00 H new ATOM 600 N ILE A 40 -8.266 -0.132 3.301 1.00 0.00 N ATOM 601 CA ILE A 40 -7.186 -1.073 3.105 1.00 0.00 C ATOM 602 C ILE A 40 -7.265 -2.202 4.125 1.00 0.00 C ATOM 603 O ILE A 40 -6.939 -3.349 3.830 1.00 0.00 O ATOM 604 CB ILE A 40 -5.833 -0.339 3.155 1.00 0.00 C ATOM 605 CG1 ILE A 40 -5.402 0.008 1.738 1.00 0.00 C ATOM 606 CG2 ILE A 40 -4.757 -1.138 3.878 1.00 0.00 C ATOM 607 CD1 ILE A 40 -4.214 0.929 1.673 1.00 0.00 C ATOM 0 H ILE A 40 -8.002 0.714 3.806 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.280 -1.528 2.119 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.965 0.575 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.166 -0.913 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.239 0.473 1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.825 -0.572 3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.072 -1.327 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.603 -2.087 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.966 1.130 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.452 1.866 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.362 0.459 2.164 1.00 0.00 H new ATOM 619 N GLU A 41 -7.729 -1.890 5.317 1.00 0.00 N ATOM 620 CA GLU A 41 -8.020 -2.932 6.284 1.00 0.00 C ATOM 621 C GLU A 41 -9.158 -3.806 5.761 1.00 0.00 C ATOM 622 O GLU A 41 -9.228 -5.001 6.047 1.00 0.00 O ATOM 623 CB GLU A 41 -8.391 -2.313 7.635 1.00 0.00 C ATOM 624 CG GLU A 41 -8.737 -3.325 8.714 1.00 0.00 C ATOM 625 CD GLU A 41 -9.186 -2.665 10.000 1.00 0.00 C ATOM 626 OE1 GLU A 41 -10.343 -2.198 10.065 1.00 0.00 O ATOM 627 OE2 GLU A 41 -8.382 -2.601 10.953 1.00 0.00 O ATOM 0 H GLU A 41 -7.911 -0.939 5.638 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.134 -3.551 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.558 -1.701 7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.241 -1.645 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.527 -3.983 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.867 -3.951 8.914 1.00 0.00 H new ATOM 634 N LYS A 42 -10.025 -3.205 4.959 1.00 0.00 N ATOM 635 CA LYS A 42 -11.181 -3.896 4.424 1.00 0.00 C ATOM 636 C LYS A 42 -10.790 -4.904 3.338 1.00 0.00 C ATOM 637 O LYS A 42 -11.364 -5.994 3.283 1.00 0.00 O ATOM 638 CB LYS A 42 -12.205 -2.886 3.889 1.00 0.00 C ATOM 639 CG LYS A 42 -13.492 -3.515 3.367 1.00 0.00 C ATOM 640 CD LYS A 42 -14.241 -4.285 4.452 1.00 0.00 C ATOM 641 CE LYS A 42 -14.609 -3.392 5.628 1.00 0.00 C ATOM 642 NZ LYS A 42 -15.438 -4.105 6.634 1.00 0.00 N ATOM 0 H LYS A 42 -9.945 -2.232 4.665 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.637 -4.460 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.454 -2.183 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.744 -2.310 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.139 -2.735 2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.257 -4.189 2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.146 -4.720 4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.623 -5.112 4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.699 -3.026 6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.152 -2.520 5.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.426 -3.578 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.416 -4.179 6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.053 -5.059 6.788 1.00 0.00 H new ATOM 656 N PHE A 43 -9.816 -4.560 2.479 1.00 0.00 N ATOM 657 CA PHE A 43 -9.440 -5.476 1.395 1.00 0.00 C ATOM 658 C PHE A 43 -9.022 -6.837 1.963 1.00 0.00 C ATOM 659 O PHE A 43 -9.546 -7.866 1.543 1.00 0.00 O ATOM 660 CB PHE A 43 -8.361 -4.886 0.427 1.00 0.00 C ATOM 661 CG PHE A 43 -6.906 -4.968 0.851 1.00 0.00 C ATOM 662 CD1 PHE A 43 -6.238 -6.184 0.916 1.00 0.00 C ATOM 663 CD2 PHE A 43 -6.198 -3.819 1.146 1.00 0.00 C ATOM 664 CE1 PHE A 43 -4.908 -6.249 1.279 1.00 0.00 C ATOM 665 CE2 PHE A 43 -4.866 -3.878 1.513 1.00 0.00 C ATOM 666 CZ PHE A 43 -4.223 -5.096 1.582 1.00 0.00 C ATOM 0 H PHE A 43 -9.292 -3.686 2.511 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.328 -5.618 0.779 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.459 -5.394 -0.532 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.601 -3.836 0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.768 -7.094 0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.692 -2.860 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.406 -7.204 1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.329 -2.970 1.746 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.184 -5.144 1.873 1.00 0.00 H new ATOM 676 N SER A 44 -8.133 -6.864 2.957 1.00 0.00 N ATOM 677 CA SER A 44 -7.642 -8.137 3.452 1.00 0.00 C ATOM 678 C SER A 44 -8.581 -8.709 4.506 1.00 0.00 C ATOM 679 O SER A 44 -8.479 -9.879 4.874 1.00 0.00 O ATOM 680 CB SER A 44 -6.225 -8.013 3.984 1.00 0.00 C ATOM 681 OG SER A 44 -6.167 -7.168 5.123 1.00 0.00 O ATOM 0 H SER A 44 -7.751 -6.040 3.420 1.00 0.00 H new ATOM 0 HA SER A 44 -7.616 -8.834 2.614 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.845 -9.001 4.244 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.576 -7.617 3.203 1.00 0.00 H new ATOM 0 HG SER A 44 -5.305 -7.285 5.574 1.00 0.00 H new ATOM 687 N GLU A 45 -9.487 -7.876 5.003 1.00 0.00 N ATOM 688 CA GLU A 45 -10.549 -8.351 5.875 1.00 0.00 C ATOM 689 C GLU A 45 -11.435 -9.316 5.095 1.00 0.00 C ATOM 690 O GLU A 45 -12.058 -10.217 5.663 1.00 0.00 O ATOM 691 CB GLU A 45 -11.380 -7.181 6.398 1.00 0.00 C ATOM 692 CG GLU A 45 -12.379 -7.572 7.469 1.00 0.00 C ATOM 693 CD GLU A 45 -13.322 -6.445 7.817 1.00 0.00 C ATOM 694 OE1 GLU A 45 -12.917 -5.523 8.554 1.00 0.00 O ATOM 695 OE2 GLU A 45 -14.482 -6.476 7.357 1.00 0.00 O ATOM 0 H GLU A 45 -9.506 -6.873 4.817 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.110 -8.863 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.709 -6.422 6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.914 -6.725 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.955 -8.432 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.843 -7.883 8.366 1.00 0.00 H new ATOM 702 N GLN A 46 -11.487 -9.114 3.783 1.00 0.00 N ATOM 703 CA GLN A 46 -12.206 -10.009 2.899 1.00 0.00 C ATOM 704 C GLN A 46 -11.283 -11.124 2.417 1.00 0.00 C ATOM 705 O GLN A 46 -11.685 -12.285 2.328 1.00 0.00 O ATOM 706 CB GLN A 46 -12.770 -9.239 1.701 1.00 0.00 C ATOM 707 CG GLN A 46 -13.690 -8.084 2.083 1.00 0.00 C ATOM 708 CD GLN A 46 -14.967 -8.536 2.769 1.00 0.00 C ATOM 709 OE1 GLN A 46 -15.001 -9.564 3.444 1.00 0.00 O ATOM 710 NE2 GLN A 46 -16.026 -7.761 2.613 1.00 0.00 N ATOM 0 H GLN A 46 -11.035 -8.331 3.311 1.00 0.00 H new ATOM 0 HA GLN A 46 -13.036 -10.450 3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.941 -8.850 1.110 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.319 -9.932 1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.152 -7.403 2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.947 -7.521 1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.960 -6.916 2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.909 -8.008 3.060 1.00 0.00 H new ATOM 719 N TYR A 47 -10.044 -10.760 2.106 1.00 0.00 N ATOM 720 CA TYR A 47 -9.066 -11.713 1.608 1.00 0.00 C ATOM 721 C TYR A 47 -7.675 -11.495 2.215 1.00 0.00 C ATOM 722 O TYR A 47 -6.878 -10.701 1.724 1.00 0.00 O ATOM 723 CB TYR A 47 -9.005 -11.662 0.082 1.00 0.00 C ATOM 724 CG TYR A 47 -8.993 -10.270 -0.503 1.00 0.00 C ATOM 725 CD1 TYR A 47 -7.827 -9.511 -0.557 1.00 0.00 C ATOM 726 CD2 TYR A 47 -10.156 -9.722 -1.018 1.00 0.00 C ATOM 727 CE1 TYR A 47 -7.832 -8.245 -1.100 1.00 0.00 C ATOM 728 CE2 TYR A 47 -10.166 -8.459 -1.561 1.00 0.00 C ATOM 729 CZ TYR A 47 -9.002 -7.729 -1.596 1.00 0.00 C ATOM 730 OH TYR A 47 -9.011 -6.470 -2.113 1.00 0.00 O ATOM 0 H TYR A 47 -9.694 -9.806 2.192 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.393 -12.705 1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.110 -12.189 -0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.861 -12.203 -0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.906 -9.920 -0.168 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.070 -10.296 -0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.922 -7.664 -1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.081 -8.044 -1.957 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.318 -6.501 -3.043 1.00 0.00 H new ATOM 740 N PRO A 48 -7.357 -12.193 3.309 1.00 0.00 N ATOM 741 CA PRO A 48 -6.033 -12.115 3.935 1.00 0.00 C ATOM 742 C PRO A 48 -4.942 -12.742 3.058 1.00 0.00 C ATOM 743 O PRO A 48 -3.780 -12.822 3.456 1.00 0.00 O ATOM 744 CB PRO A 48 -6.203 -12.883 5.239 1.00 0.00 C ATOM 745 CG PRO A 48 -7.310 -13.839 4.966 1.00 0.00 C ATOM 746 CD PRO A 48 -8.247 -13.122 4.031 1.00 0.00 C ATOM 0 HA PRO A 48 -5.710 -11.085 4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -5.287 -13.405 5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.450 -12.215 6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.932 -14.756 4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.818 -14.123 5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -8.744 -13.813 3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.029 -12.591 4.574 1.00 0.00 H new ATOM 754 N GLN A 49 -5.339 -13.204 1.874 1.00 0.00 N ATOM 755 CA GLN A 49 -4.418 -13.802 0.908 1.00 0.00 C ATOM 756 C GLN A 49 -3.378 -12.786 0.439 1.00 0.00 C ATOM 757 O GLN A 49 -2.281 -13.151 0.014 1.00 0.00 O ATOM 758 CB GLN A 49 -5.215 -14.299 -0.301 1.00 0.00 C ATOM 759 CG GLN A 49 -4.358 -14.735 -1.476 1.00 0.00 C ATOM 760 CD GLN A 49 -5.030 -14.463 -2.804 1.00 0.00 C ATOM 761 OE1 GLN A 49 -5.754 -15.304 -3.337 1.00 0.00 O ATOM 762 NE2 GLN A 49 -4.801 -13.275 -3.346 1.00 0.00 N ATOM 0 H GLN A 49 -6.308 -13.175 1.557 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.899 -14.630 1.390 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -5.839 -15.137 0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.886 -13.506 -0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.402 -14.212 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.142 -15.800 -1.391 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.194 -12.606 -2.871 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.232 -13.030 -4.238 1.00 0.00 H new ATOM 771 N ALA A 50 -3.712 -11.517 0.541 1.00 0.00 N ATOM 772 CA ALA A 50 -2.801 -10.465 0.133 1.00 0.00 C ATOM 773 C ALA A 50 -2.139 -9.864 1.354 1.00 0.00 C ATOM 774 O ALA A 50 -2.663 -9.969 2.466 1.00 0.00 O ATOM 775 CB ALA A 50 -3.541 -9.401 -0.652 1.00 0.00 C ATOM 0 H ALA A 50 -4.607 -11.187 0.903 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.032 -10.889 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.844 -8.618 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.987 -9.848 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.325 -8.970 -0.030 1.00 0.00 H new ATOM 781 N ASP A 51 -0.989 -9.243 1.164 1.00 0.00 N ATOM 782 CA ASP A 51 -0.258 -8.712 2.294 1.00 0.00 C ATOM 783 C ASP A 51 -0.630 -7.267 2.547 1.00 0.00 C ATOM 784 O ASP A 51 -0.716 -6.457 1.623 1.00 0.00 O ATOM 785 CB ASP A 51 1.253 -8.851 2.126 1.00 0.00 C ATOM 786 CG ASP A 51 1.870 -9.614 3.278 1.00 0.00 C ATOM 787 OD1 ASP A 51 1.127 -10.010 4.198 1.00 0.00 O ATOM 788 OD2 ASP A 51 3.100 -9.821 3.275 1.00 0.00 O ATOM 0 H ASP A 51 -0.550 -9.097 0.255 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.544 -9.307 3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.471 -9.365 1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.706 -7.862 2.059 1.00 0.00 H new ATOM 793 N PHE A 52 -0.833 -6.965 3.814 1.00 0.00 N ATOM 794 CA PHE A 52 -1.347 -5.679 4.240 1.00 0.00 C ATOM 795 C PHE A 52 -0.286 -4.880 4.986 1.00 0.00 C ATOM 796 O PHE A 52 0.157 -5.277 6.062 1.00 0.00 O ATOM 797 CB PHE A 52 -2.569 -5.905 5.137 1.00 0.00 C ATOM 798 CG PHE A 52 -2.496 -7.162 5.974 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.701 -7.222 7.110 1.00 0.00 C ATOM 800 CD2 PHE A 52 -3.226 -8.284 5.620 1.00 0.00 C ATOM 801 CE1 PHE A 52 -1.640 -8.372 7.873 1.00 0.00 C ATOM 802 CE2 PHE A 52 -3.171 -9.437 6.380 1.00 0.00 C ATOM 803 CZ PHE A 52 -2.376 -9.482 7.508 1.00 0.00 C ATOM 0 H PHE A 52 -0.645 -7.610 4.582 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.633 -5.104 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.684 -5.047 5.799 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.462 -5.948 4.513 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.122 -6.358 7.401 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.847 -8.258 4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.017 -8.403 8.755 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.749 -10.302 6.092 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.330 -10.382 8.103 1.00 0.00 H new ATOM 813 N TYR A 53 0.122 -3.752 4.423 1.00 0.00 N ATOM 814 CA TYR A 53 1.108 -2.905 5.082 1.00 0.00 C ATOM 815 C TYR A 53 0.782 -1.427 4.916 1.00 0.00 C ATOM 816 O TYR A 53 0.077 -1.039 3.995 1.00 0.00 O ATOM 817 CB TYR A 53 2.518 -3.202 4.564 1.00 0.00 C ATOM 818 CG TYR A 53 2.981 -4.620 4.811 1.00 0.00 C ATOM 819 CD1 TYR A 53 3.580 -4.980 6.011 1.00 0.00 C ATOM 820 CD2 TYR A 53 2.820 -5.597 3.838 1.00 0.00 C ATOM 821 CE1 TYR A 53 4.005 -6.275 6.234 1.00 0.00 C ATOM 822 CE2 TYR A 53 3.241 -6.892 4.054 1.00 0.00 C ATOM 823 CZ TYR A 53 3.833 -7.227 5.253 1.00 0.00 C ATOM 824 OH TYR A 53 4.247 -8.522 5.473 1.00 0.00 O ATOM 0 H TYR A 53 -0.209 -3.404 3.523 1.00 0.00 H new ATOM 0 HA TYR A 53 1.072 -3.136 6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.549 -3.002 3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.219 -2.515 5.037 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.716 -4.236 6.782 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.358 -5.339 2.897 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.470 -6.540 7.172 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.108 -7.641 3.287 1.00 0.00 H new ATOM 0 HH TYR A 53 3.906 -9.100 4.759 1.00 0.00 H new ATOM 834 N LYS A 54 1.301 -0.624 5.837 1.00 0.00 N ATOM 835 CA LYS A 54 1.038 0.812 5.899 1.00 0.00 C ATOM 836 C LYS A 54 2.329 1.571 6.199 1.00 0.00 C ATOM 837 O LYS A 54 3.207 1.047 6.891 1.00 0.00 O ATOM 838 CB LYS A 54 0.038 1.099 7.023 1.00 0.00 C ATOM 839 CG LYS A 54 -1.424 0.864 6.692 1.00 0.00 C ATOM 840 CD LYS A 54 -2.320 1.103 7.904 1.00 0.00 C ATOM 841 CE LYS A 54 -1.912 0.240 9.092 1.00 0.00 C ATOM 842 NZ LYS A 54 -2.871 0.355 10.224 1.00 0.00 N ATOM 0 H LYS A 54 1.925 -0.955 6.573 1.00 0.00 H new ATOM 0 HA LYS A 54 0.635 1.135 4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.299 0.480 7.881 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.157 2.138 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.725 1.526 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.557 -0.158 6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.275 2.155 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.355 0.889 7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.847 -0.802 8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.918 0.534 9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.554 -0.248 11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.915 1.344 10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.815 0.050 9.912 1.00 0.00 H new ATOM 856 N LEU A 55 2.443 2.798 5.697 1.00 0.00 N ATOM 857 CA LEU A 55 3.582 3.641 6.008 1.00 0.00 C ATOM 858 C LEU A 55 3.240 5.116 5.790 1.00 0.00 C ATOM 859 O LEU A 55 2.431 5.460 4.925 1.00 0.00 O ATOM 860 CB LEU A 55 4.791 3.218 5.163 1.00 0.00 C ATOM 861 CG LEU A 55 6.058 4.055 5.349 1.00 0.00 C ATOM 862 CD1 LEU A 55 7.295 3.209 5.109 1.00 0.00 C ATOM 863 CD2 LEU A 55 6.036 5.225 4.391 1.00 0.00 C ATOM 0 H LEU A 55 1.758 3.226 5.074 1.00 0.00 H new ATOM 0 HA LEU A 55 3.838 3.516 7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.027 2.179 5.395 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.506 3.253 4.112 1.00 0.00 H new ATOM 0 HG LEU A 55 6.089 4.426 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.187 3.821 5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.312 2.380 5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.276 2.817 4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.939 5.821 4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.993 4.856 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.161 5.843 4.591 1.00 0.00 H new ATOM 875 N ASP A 56 3.867 5.974 6.587 1.00 0.00 N ATOM 876 CA ASP A 56 3.655 7.417 6.516 1.00 0.00 C ATOM 877 C ASP A 56 4.834 8.113 5.832 1.00 0.00 C ATOM 878 O ASP A 56 5.979 7.988 6.269 1.00 0.00 O ATOM 879 CB ASP A 56 3.456 7.967 7.931 1.00 0.00 C ATOM 880 CG ASP A 56 3.569 9.476 8.011 1.00 0.00 C ATOM 881 OD1 ASP A 56 3.046 10.170 7.119 1.00 0.00 O ATOM 882 OD2 ASP A 56 4.182 9.973 8.978 1.00 0.00 O ATOM 0 H ASP A 56 4.537 5.690 7.301 1.00 0.00 H new ATOM 0 HA ASP A 56 2.764 7.615 5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.475 7.664 8.296 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.196 7.519 8.594 1.00 0.00 H new ATOM 887 N VAL A 57 4.542 8.851 4.764 1.00 0.00 N ATOM 888 CA VAL A 57 5.562 9.547 3.988 1.00 0.00 C ATOM 889 C VAL A 57 6.146 10.719 4.775 1.00 0.00 C ATOM 890 O VAL A 57 7.283 11.133 4.539 1.00 0.00 O ATOM 891 CB VAL A 57 4.984 10.056 2.658 1.00 0.00 C ATOM 892 CG1 VAL A 57 3.845 10.991 2.932 1.00 0.00 C ATOM 893 CG2 VAL A 57 6.048 10.733 1.804 1.00 0.00 C ATOM 0 H VAL A 57 3.593 8.983 4.414 1.00 0.00 H new ATOM 0 HA VAL A 57 6.359 8.833 3.779 1.00 0.00 H new ATOM 0 HB VAL A 57 4.618 9.200 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.435 11.352 1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.068 10.465 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.202 11.837 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.601 11.079 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.462 11.583 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.843 10.022 1.582 1.00 0.00 H new ATOM 903 N ASP A 58 5.376 11.238 5.728 1.00 0.00 N ATOM 904 CA ASP A 58 5.832 12.354 6.548 1.00 0.00 C ATOM 905 C ASP A 58 6.977 11.899 7.443 1.00 0.00 C ATOM 906 O ASP A 58 7.802 12.697 7.889 1.00 0.00 O ATOM 907 CB ASP A 58 4.693 12.910 7.399 1.00 0.00 C ATOM 908 CG ASP A 58 5.117 14.127 8.198 1.00 0.00 C ATOM 909 OD1 ASP A 58 5.459 15.162 7.583 1.00 0.00 O ATOM 910 OD2 ASP A 58 5.106 14.060 9.444 1.00 0.00 O ATOM 0 H ASP A 58 4.438 10.905 5.950 1.00 0.00 H new ATOM 0 HA ASP A 58 6.180 13.148 5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.855 13.175 6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.339 12.136 8.080 1.00 0.00 H new ATOM 915 N GLU A 59 7.015 10.600 7.698 1.00 0.00 N ATOM 916 CA GLU A 59 8.079 10.008 8.487 1.00 0.00 C ATOM 917 C GLU A 59 9.136 9.374 7.574 1.00 0.00 C ATOM 918 O GLU A 59 10.337 9.526 7.796 1.00 0.00 O ATOM 919 CB GLU A 59 7.493 8.954 9.434 1.00 0.00 C ATOM 920 CG GLU A 59 8.448 8.504 10.527 1.00 0.00 C ATOM 921 CD GLU A 59 8.755 9.606 11.518 1.00 0.00 C ATOM 922 OE1 GLU A 59 9.677 10.408 11.256 1.00 0.00 O ATOM 923 OE2 GLU A 59 8.079 9.675 12.565 1.00 0.00 O ATOM 0 H GLU A 59 6.316 9.935 7.367 1.00 0.00 H new ATOM 0 HA GLU A 59 8.560 10.789 9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.592 9.357 9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.190 8.085 8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.016 7.654 11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.377 8.158 10.074 1.00 0.00 H new ATOM 930 N LEU A 60 8.686 8.678 6.533 1.00 0.00 N ATOM 931 CA LEU A 60 9.601 7.986 5.629 1.00 0.00 C ATOM 932 C LEU A 60 9.475 8.486 4.183 1.00 0.00 C ATOM 933 O LEU A 60 8.907 7.808 3.315 1.00 0.00 O ATOM 934 CB LEU A 60 9.360 6.474 5.676 1.00 0.00 C ATOM 935 CG LEU A 60 9.896 5.723 6.905 1.00 0.00 C ATOM 936 CD1 LEU A 60 11.314 6.159 7.240 1.00 0.00 C ATOM 937 CD2 LEU A 60 8.975 5.899 8.101 1.00 0.00 C ATOM 0 H LEU A 60 7.699 8.578 6.295 1.00 0.00 H new ATOM 0 HA LEU A 60 10.613 8.205 5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.286 6.299 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.807 6.031 4.786 1.00 0.00 H new ATOM 0 HG LEU A 60 9.923 4.662 6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.666 5.611 8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.968 5.951 6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.325 7.228 7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.380 5.356 8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.897 6.958 8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.986 5.509 7.859 1.00 0.00 H new ATOM 949 N GLY A 61 10.035 9.662 3.921 1.00 0.00 N ATOM 950 CA GLY A 61 10.000 10.223 2.579 1.00 0.00 C ATOM 951 C GLY A 61 10.927 9.496 1.622 1.00 0.00 C ATOM 952 O GLY A 61 10.642 9.389 0.429 1.00 0.00 O ATOM 0 H GLY A 61 10.513 10.239 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.980 10.179 2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.279 11.276 2.621 1.00 0.00 H new ATOM 956 N ASP A 62 12.033 8.984 2.146 1.00 0.00 N ATOM 957 CA ASP A 62 13.000 8.239 1.339 1.00 0.00 C ATOM 958 C ASP A 62 12.411 6.924 0.872 1.00 0.00 C ATOM 959 O ASP A 62 12.806 6.386 -0.162 1.00 0.00 O ATOM 960 CB ASP A 62 14.295 8.003 2.124 1.00 0.00 C ATOM 961 CG ASP A 62 14.068 7.273 3.434 1.00 0.00 C ATOM 962 OD1 ASP A 62 13.571 7.907 4.392 1.00 0.00 O ATOM 963 OD2 ASP A 62 14.404 6.074 3.522 1.00 0.00 O ATOM 0 H ASP A 62 12.287 9.070 3.130 1.00 0.00 H new ATOM 0 HA ASP A 62 13.238 8.837 0.459 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.987 7.428 1.509 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.771 8.963 2.327 1.00 0.00 H new ATOM 968 N VAL A 63 11.451 6.424 1.620 1.00 0.00 N ATOM 969 CA VAL A 63 10.695 5.267 1.192 1.00 0.00 C ATOM 970 C VAL A 63 9.834 5.653 0.008 1.00 0.00 C ATOM 971 O VAL A 63 9.876 4.988 -1.012 1.00 0.00 O ATOM 972 CB VAL A 63 9.824 4.703 2.322 1.00 0.00 C ATOM 973 CG1 VAL A 63 9.086 3.456 1.860 1.00 0.00 C ATOM 974 CG2 VAL A 63 10.679 4.393 3.535 1.00 0.00 C ATOM 0 H VAL A 63 11.176 6.800 2.527 1.00 0.00 H new ATOM 0 HA VAL A 63 11.396 4.483 0.906 1.00 0.00 H new ATOM 0 HB VAL A 63 9.084 5.455 2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.474 3.072 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.447 3.705 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.808 2.697 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.050 3.993 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.437 3.657 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 63 11.165 5.305 3.880 1.00 0.00 H new ATOM 984 N ALA A 64 9.082 6.751 0.140 1.00 0.00 N ATOM 985 CA ALA A 64 8.296 7.301 -0.968 1.00 0.00 C ATOM 986 C ALA A 64 9.136 7.533 -2.231 1.00 0.00 C ATOM 987 O ALA A 64 8.603 7.592 -3.339 1.00 0.00 O ATOM 988 CB ALA A 64 7.643 8.600 -0.538 1.00 0.00 C ATOM 0 H ALA A 64 9.002 7.279 1.009 1.00 0.00 H new ATOM 0 HA ALA A 64 7.534 6.563 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.060 9.005 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.987 8.413 0.312 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.413 9.317 -0.251 1.00 0.00 H new ATOM 994 N GLN A 65 10.439 7.675 -2.073 1.00 0.00 N ATOM 995 CA GLN A 65 11.319 7.802 -3.226 1.00 0.00 C ATOM 996 C GLN A 65 11.730 6.429 -3.745 1.00 0.00 C ATOM 997 O GLN A 65 12.012 6.257 -4.929 1.00 0.00 O ATOM 998 CB GLN A 65 12.553 8.633 -2.874 1.00 0.00 C ATOM 999 CG GLN A 65 12.219 10.032 -2.386 1.00 0.00 C ATOM 1000 CD GLN A 65 11.408 10.821 -3.397 1.00 0.00 C ATOM 1001 OE1 GLN A 65 10.176 10.794 -3.381 1.00 0.00 O ATOM 1002 NE2 GLN A 65 12.090 11.521 -4.287 1.00 0.00 N ATOM 0 H GLN A 65 10.910 7.705 -1.169 1.00 0.00 H new ATOM 0 HA GLN A 65 10.772 8.317 -4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 65 13.124 8.114 -2.104 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.195 8.706 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.662 9.964 -1.451 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.143 10.568 -2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 65 13.110 11.517 -4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.596 12.065 -4.995 1.00 0.00 H new ATOM 1011 N LYS A 66 11.744 5.455 -2.853 1.00 0.00 N ATOM 1012 CA LYS A 66 12.093 4.101 -3.187 1.00 0.00 C ATOM 1013 C LYS A 66 10.947 3.403 -3.939 1.00 0.00 C ATOM 1014 O LYS A 66 11.174 2.491 -4.733 1.00 0.00 O ATOM 1015 CB LYS A 66 12.447 3.378 -1.882 1.00 0.00 C ATOM 1016 CG LYS A 66 12.406 1.874 -1.953 1.00 0.00 C ATOM 1017 CD LYS A 66 13.527 1.310 -2.825 1.00 0.00 C ATOM 1018 CE LYS A 66 13.685 -0.201 -2.666 1.00 0.00 C ATOM 1019 NZ LYS A 66 12.636 -0.975 -3.389 1.00 0.00 N ATOM 0 H LYS A 66 11.510 5.591 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 66 12.950 4.082 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.447 3.685 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.759 3.708 -1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.487 1.462 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.442 1.556 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.323 1.543 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.466 1.800 -2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.667 -0.499 -3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.651 -0.455 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 12.824 -1.993 -3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.702 -0.753 -2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.649 -0.720 -4.397 1.00 0.00 H new ATOM 1033 N ASN A 67 9.721 3.857 -3.702 1.00 0.00 N ATOM 1034 CA ASN A 67 8.531 3.231 -4.285 1.00 0.00 C ATOM 1035 C ASN A 67 7.880 4.110 -5.336 1.00 0.00 C ATOM 1036 O ASN A 67 7.001 3.649 -6.064 1.00 0.00 O ATOM 1037 CB ASN A 67 7.517 2.951 -3.191 1.00 0.00 C ATOM 1038 CG ASN A 67 7.508 4.045 -2.194 1.00 0.00 C ATOM 1039 OD1 ASN A 67 7.600 5.198 -2.560 1.00 0.00 O ATOM 1040 ND2 ASN A 67 7.465 3.705 -0.931 1.00 0.00 N ATOM 0 H ASN A 67 9.521 4.661 -3.107 1.00 0.00 H new ATOM 0 HA ASN A 67 8.852 2.306 -4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.524 2.842 -3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.755 2.007 -2.701 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.509 4.423 -0.208 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.387 2.722 -0.670 1.00 0.00 H new ATOM 1047 N GLU A 68 8.299 5.375 -5.387 1.00 0.00 N ATOM 1048 CA GLU A 68 7.819 6.328 -6.386 1.00 0.00 C ATOM 1049 C GLU A 68 6.445 6.913 -6.032 1.00 0.00 C ATOM 1050 O GLU A 68 5.764 7.493 -6.879 1.00 0.00 O ATOM 1051 CB GLU A 68 7.773 5.666 -7.765 1.00 0.00 C ATOM 1052 CG GLU A 68 7.594 6.633 -8.925 1.00 0.00 C ATOM 1053 CD GLU A 68 7.424 5.929 -10.251 1.00 0.00 C ATOM 1054 OE1 GLU A 68 8.399 5.314 -10.732 1.00 0.00 O ATOM 1055 OE2 GLU A 68 6.313 5.986 -10.821 1.00 0.00 O ATOM 0 H GLU A 68 8.980 5.767 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 68 8.524 7.159 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.696 5.105 -7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.956 4.945 -7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.723 7.261 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.459 7.294 -8.978 1.00 0.00 H new ATOM 1062 N VAL A 69 6.037 6.792 -4.780 1.00 0.00 N ATOM 1063 CA VAL A 69 4.801 7.444 -4.348 1.00 0.00 C ATOM 1064 C VAL A 69 5.086 8.860 -3.844 1.00 0.00 C ATOM 1065 O VAL A 69 6.001 9.081 -3.055 1.00 0.00 O ATOM 1066 CB VAL A 69 3.998 6.630 -3.288 1.00 0.00 C ATOM 1067 CG1 VAL A 69 4.892 5.799 -2.390 1.00 0.00 C ATOM 1068 CG2 VAL A 69 3.141 7.549 -2.432 1.00 0.00 C ATOM 0 H VAL A 69 6.525 6.264 -4.057 1.00 0.00 H new ATOM 0 HA VAL A 69 4.163 7.496 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 69 3.359 5.948 -3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.280 5.253 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.459 5.091 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.581 6.454 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.591 6.957 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.780 8.264 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.437 8.086 -3.067 1.00 0.00 H new ATOM 1078 N SER A 70 4.313 9.821 -4.336 1.00 0.00 N ATOM 1079 CA SER A 70 4.501 11.219 -3.969 1.00 0.00 C ATOM 1080 C SER A 70 3.215 11.816 -3.394 1.00 0.00 C ATOM 1081 O SER A 70 3.255 12.752 -2.593 1.00 0.00 O ATOM 1082 CB SER A 70 4.947 12.018 -5.193 1.00 0.00 C ATOM 1083 OG SER A 70 6.030 11.378 -5.851 1.00 0.00 O ATOM 0 H SER A 70 3.549 9.657 -4.991 1.00 0.00 H new ATOM 0 HA SER A 70 5.271 11.271 -3.200 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.111 12.129 -5.884 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.244 13.022 -4.888 1.00 0.00 H new ATOM 0 HG SER A 70 6.297 11.907 -6.632 1.00 0.00 H new ATOM 1089 N ALA A 71 2.081 11.269 -3.808 1.00 0.00 N ATOM 1090 CA ALA A 71 0.787 11.757 -3.356 1.00 0.00 C ATOM 1091 C ALA A 71 0.272 10.912 -2.199 1.00 0.00 C ATOM 1092 O ALA A 71 0.795 9.830 -1.930 1.00 0.00 O ATOM 1093 CB ALA A 71 -0.208 11.749 -4.507 1.00 0.00 C ATOM 0 H ALA A 71 2.032 10.485 -4.458 1.00 0.00 H new ATOM 0 HA ALA A 71 0.905 12.782 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.173 12.116 -4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.156 12.393 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.322 10.732 -4.883 1.00 0.00 H new ATOM 1099 N MET A 72 -0.748 11.404 -1.513 1.00 0.00 N ATOM 1100 CA MET A 72 -1.320 10.684 -0.388 1.00 0.00 C ATOM 1101 C MET A 72 -2.816 10.959 -0.268 1.00 0.00 C ATOM 1102 O MET A 72 -3.272 12.079 -0.497 1.00 0.00 O ATOM 1103 CB MET A 72 -0.611 11.054 0.925 1.00 0.00 C ATOM 1104 CG MET A 72 -0.647 12.539 1.266 1.00 0.00 C ATOM 1105 SD MET A 72 0.483 13.531 0.266 1.00 0.00 S ATOM 1106 CE MET A 72 2.062 12.816 0.724 1.00 0.00 C ATOM 0 H MET A 72 -1.196 12.298 -1.716 1.00 0.00 H new ATOM 0 HA MET A 72 -1.174 9.620 -0.572 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.070 10.496 1.741 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.429 10.733 0.865 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.663 12.911 1.130 1.00 0.00 H new ATOM 0 HG3 MET A 72 -0.398 12.669 2.319 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.869 13.413 0.299 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.154 12.802 1.810 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.125 11.797 0.341 1.00 0.00 H new ATOM 1116 N PRO A 73 -3.601 9.934 0.087 1.00 0.00 N ATOM 1117 CA PRO A 73 -3.091 8.583 0.299 1.00 0.00 C ATOM 1118 C PRO A 73 -2.901 7.811 -1.013 1.00 0.00 C ATOM 1119 O PRO A 73 -3.612 8.036 -1.991 1.00 0.00 O ATOM 1120 CB PRO A 73 -4.167 7.941 1.167 1.00 0.00 C ATOM 1121 CG PRO A 73 -5.435 8.649 0.819 1.00 0.00 C ATOM 1122 CD PRO A 73 -5.053 10.023 0.325 1.00 0.00 C ATOM 0 HA PRO A 73 -2.102 8.582 0.757 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.247 6.872 0.967 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.934 8.051 2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.984 8.102 0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.088 8.720 1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.591 10.281 -0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.289 10.791 1.062 1.00 0.00 H new ATOM 1130 N THR A 74 -1.937 6.904 -1.009 1.00 0.00 N ATOM 1131 CA THR A 74 -1.571 6.133 -2.189 1.00 0.00 C ATOM 1132 C THR A 74 -1.456 4.656 -1.847 1.00 0.00 C ATOM 1133 O THR A 74 -0.915 4.283 -0.812 1.00 0.00 O ATOM 1134 CB THR A 74 -0.226 6.630 -2.778 1.00 0.00 C ATOM 1135 OG1 THR A 74 -0.388 7.928 -3.362 1.00 0.00 O ATOM 1136 CG2 THR A 74 0.336 5.662 -3.818 1.00 0.00 C ATOM 0 H THR A 74 -1.383 6.680 -0.183 1.00 0.00 H new ATOM 0 HA THR A 74 -2.356 6.271 -2.932 1.00 0.00 H new ATOM 0 HB THR A 74 0.486 6.686 -1.955 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.267 8.545 -2.974 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.279 6.050 -4.204 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.506 4.690 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.375 5.555 -4.637 1.00 0.00 H new ATOM 1144 N LEU A 75 -1.987 3.826 -2.715 1.00 0.00 N ATOM 1145 CA LEU A 75 -1.848 2.395 -2.581 1.00 0.00 C ATOM 1146 C LEU A 75 -0.887 1.890 -3.646 1.00 0.00 C ATOM 1147 O LEU A 75 -1.111 2.117 -4.836 1.00 0.00 O ATOM 1148 CB LEU A 75 -3.184 1.701 -2.795 1.00 0.00 C ATOM 1149 CG LEU A 75 -4.329 2.114 -1.873 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -5.214 3.180 -2.520 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -5.141 0.890 -1.514 1.00 0.00 C ATOM 0 H LEU A 75 -2.525 4.122 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.480 2.178 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.497 1.876 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.031 0.627 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.909 2.553 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.018 3.450 -1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.616 4.063 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.640 2.788 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.961 1.177 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.545 0.442 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.504 0.167 -1.005 1.00 0.00 H new ATOM 1163 N LEU A 76 0.174 1.219 -3.242 1.00 0.00 N ATOM 1164 CA LEU A 76 1.079 0.631 -4.210 1.00 0.00 C ATOM 1165 C LEU A 76 1.068 -0.879 -4.075 1.00 0.00 C ATOM 1166 O LEU A 76 1.428 -1.436 -3.038 1.00 0.00 O ATOM 1167 CB LEU A 76 2.492 1.192 -4.062 1.00 0.00 C ATOM 1168 CG LEU A 76 3.159 1.623 -5.377 1.00 0.00 C ATOM 1169 CD1 LEU A 76 4.541 2.213 -5.115 1.00 0.00 C ATOM 1170 CD2 LEU A 76 3.236 0.449 -6.354 1.00 0.00 C ATOM 0 H LEU A 76 0.428 1.069 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 76 0.735 0.893 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.458 2.050 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.118 0.438 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 76 2.546 2.400 -5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.994 2.511 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.448 3.084 -4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.170 1.466 -4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.712 0.776 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.821 -0.356 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.230 0.089 -6.571 1.00 0.00 H new ATOM 1182 N LEU A 77 0.620 -1.515 -5.134 1.00 0.00 N ATOM 1183 CA LEU A 77 0.520 -2.963 -5.203 1.00 0.00 C ATOM 1184 C LEU A 77 1.766 -3.500 -5.883 1.00 0.00 C ATOM 1185 O LEU A 77 2.128 -3.041 -6.971 1.00 0.00 O ATOM 1186 CB LEU A 77 -0.714 -3.399 -6.018 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.107 -3.254 -5.370 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.249 -1.961 -4.580 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.157 -3.296 -6.460 1.00 0.00 C ATOM 0 H LEU A 77 0.311 -1.041 -5.982 1.00 0.00 H new ATOM 0 HA LEU A 77 0.423 -3.355 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.718 -2.828 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.581 -4.446 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.238 -4.077 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.247 -1.908 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.504 -1.937 -3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.098 -1.110 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.147 -3.195 -6.016 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.988 -2.478 -7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.093 -4.246 -6.990 1.00 0.00 H new ATOM 1201 N PHE A 78 2.415 -4.457 -5.260 1.00 0.00 N ATOM 1202 CA PHE A 78 3.590 -5.071 -5.847 1.00 0.00 C ATOM 1203 C PHE A 78 3.427 -6.582 -5.908 1.00 0.00 C ATOM 1204 O PHE A 78 2.692 -7.161 -5.104 1.00 0.00 O ATOM 1205 CB PHE A 78 4.837 -4.756 -5.030 1.00 0.00 C ATOM 1206 CG PHE A 78 5.384 -3.373 -5.225 1.00 0.00 C ATOM 1207 CD1 PHE A 78 4.945 -2.326 -4.444 1.00 0.00 C ATOM 1208 CD2 PHE A 78 6.365 -3.133 -6.173 1.00 0.00 C ATOM 1209 CE1 PHE A 78 5.471 -1.066 -4.601 1.00 0.00 C ATOM 1210 CE2 PHE A 78 6.892 -1.870 -6.341 1.00 0.00 C ATOM 1211 CZ PHE A 78 6.446 -0.833 -5.552 1.00 0.00 C ATOM 0 H PHE A 78 2.152 -4.829 -4.347 1.00 0.00 H new ATOM 0 HA PHE A 78 3.701 -4.666 -6.853 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.607 -4.895 -3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.613 -5.478 -5.285 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.180 -2.497 -3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.722 -3.946 -6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.121 -0.255 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.652 -1.695 -7.088 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.857 0.158 -5.676 1.00 0.00 H new ATOM 1221 N LYS A 79 4.100 -7.220 -6.856 1.00 0.00 N ATOM 1222 CA LYS A 79 4.192 -8.669 -6.860 1.00 0.00 C ATOM 1223 C LYS A 79 5.626 -9.103 -7.164 1.00 0.00 C ATOM 1224 O LYS A 79 6.206 -8.681 -8.163 1.00 0.00 O ATOM 1225 CB LYS A 79 3.218 -9.264 -7.876 1.00 0.00 C ATOM 1226 CG LYS A 79 3.054 -10.770 -7.761 1.00 0.00 C ATOM 1227 CD LYS A 79 1.989 -11.280 -8.717 1.00 0.00 C ATOM 1228 CE LYS A 79 1.841 -12.790 -8.639 1.00 0.00 C ATOM 1229 NZ LYS A 79 0.798 -13.289 -9.573 1.00 0.00 N ATOM 0 H LYS A 79 4.586 -6.759 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 79 3.920 -9.041 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.244 -8.791 -7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.563 -9.021 -8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.004 -11.260 -7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.784 -11.032 -6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.034 -10.808 -8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.246 -10.992 -9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.795 -13.262 -8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.585 -13.078 -7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.014 -14.270 -9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.131 -13.255 -9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.780 -12.692 -10.424 1.00 0.00 H new ATOM 1243 N ASN A 80 6.184 -9.925 -6.272 1.00 0.00 N ATOM 1244 CA ASN A 80 7.551 -10.474 -6.389 1.00 0.00 C ATOM 1245 C ASN A 80 8.602 -9.422 -6.753 1.00 0.00 C ATOM 1246 O ASN A 80 9.360 -9.588 -7.707 1.00 0.00 O ATOM 1247 CB ASN A 80 7.619 -11.675 -7.361 1.00 0.00 C ATOM 1248 CG ASN A 80 7.136 -11.397 -8.776 1.00 0.00 C ATOM 1249 OD1 ASN A 80 5.947 -11.517 -9.075 1.00 0.00 O ATOM 1250 ND2 ASN A 80 8.057 -11.064 -9.668 1.00 0.00 N ATOM 0 H ASN A 80 5.697 -10.237 -5.432 1.00 0.00 H new ATOM 0 HA ASN A 80 7.798 -10.832 -5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.651 -12.024 -7.409 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.026 -12.490 -6.946 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.791 -10.898 -10.638 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.033 -10.974 -9.384 1.00 0.00 H new ATOM 1257 N GLY A 81 8.660 -8.346 -5.973 1.00 0.00 N ATOM 1258 CA GLY A 81 9.681 -7.327 -6.175 1.00 0.00 C ATOM 1259 C GLY A 81 9.414 -6.473 -7.394 1.00 0.00 C ATOM 1260 O GLY A 81 10.228 -5.630 -7.765 1.00 0.00 O ATOM 0 H GLY A 81 8.018 -8.160 -5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.732 -6.689 -5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.654 -7.808 -6.278 1.00 0.00 H new ATOM 1264 N LYS A 82 8.273 -6.693 -8.013 1.00 0.00 N ATOM 1265 CA LYS A 82 7.857 -5.919 -9.161 1.00 0.00 C ATOM 1266 C LYS A 82 6.552 -5.242 -8.820 1.00 0.00 C ATOM 1267 O LYS A 82 5.883 -5.648 -7.880 1.00 0.00 O ATOM 1268 CB LYS A 82 7.667 -6.817 -10.383 1.00 0.00 C ATOM 1269 CG LYS A 82 8.877 -7.667 -10.724 1.00 0.00 C ATOM 1270 CD LYS A 82 8.622 -8.499 -11.968 1.00 0.00 C ATOM 1271 CE LYS A 82 9.859 -9.269 -12.395 1.00 0.00 C ATOM 1272 NZ LYS A 82 10.948 -8.364 -12.846 1.00 0.00 N ATOM 0 H LYS A 82 7.608 -7.414 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 82 8.623 -5.182 -9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.814 -7.473 -10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.420 -6.194 -11.243 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.744 -7.026 -10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.114 -8.322 -9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.807 -9.197 -11.777 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.300 -7.848 -12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.214 -9.877 -11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.599 -9.954 -13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.674 -8.916 -13.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.558 -7.644 -13.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.375 -7.897 -12.021 1.00 0.00 H new ATOM 1286 N GLU A 83 6.194 -4.212 -9.553 1.00 0.00 N ATOM 1287 CA GLU A 83 4.919 -3.557 -9.351 1.00 0.00 C ATOM 1288 C GLU A 83 3.803 -4.471 -9.853 1.00 0.00 C ATOM 1289 O GLU A 83 4.062 -5.605 -10.261 1.00 0.00 O ATOM 1290 CB GLU A 83 4.913 -2.226 -10.111 1.00 0.00 C ATOM 1291 CG GLU A 83 3.803 -1.270 -9.706 1.00 0.00 C ATOM 1292 CD GLU A 83 3.980 0.093 -10.338 1.00 0.00 C ATOM 1293 OE1 GLU A 83 4.877 0.844 -9.902 1.00 0.00 O ATOM 1294 OE2 GLU A 83 3.237 0.407 -11.294 1.00 0.00 O ATOM 0 H GLU A 83 6.767 -3.809 -10.295 1.00 0.00 H new ATOM 0 HA GLU A 83 4.758 -3.356 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.873 -1.732 -9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.825 -2.432 -11.178 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.839 -1.685 -10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.788 -1.169 -8.621 1.00 0.00 H new ATOM 1301 N VAL A 84 2.571 -4.006 -9.732 1.00 0.00 N ATOM 1302 CA VAL A 84 1.434 -4.584 -10.434 1.00 0.00 C ATOM 1303 C VAL A 84 0.361 -3.523 -10.621 1.00 0.00 C ATOM 1304 O VAL A 84 -0.343 -3.511 -11.631 1.00 0.00 O ATOM 1305 CB VAL A 84 0.823 -5.816 -9.735 1.00 0.00 C ATOM 1306 CG1 VAL A 84 1.526 -7.099 -10.151 1.00 0.00 C ATOM 1307 CG2 VAL A 84 0.880 -5.655 -8.239 1.00 0.00 C ATOM 0 H VAL A 84 2.328 -3.211 -9.140 1.00 0.00 H new ATOM 0 HA VAL A 84 1.813 -4.934 -11.394 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.219 -5.888 -10.045 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.070 -7.946 -9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.432 -7.232 -11.229 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.581 -7.039 -9.883 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.445 -6.533 -7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.918 -5.548 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.319 -4.768 -7.947 1.00 0.00 H new ATOM 1317 N ALA A 85 0.255 -2.619 -9.646 1.00 0.00 N ATOM 1318 CA ALA A 85 -0.682 -1.508 -9.736 1.00 0.00 C ATOM 1319 C ALA A 85 -0.408 -0.462 -8.666 1.00 0.00 C ATOM 1320 O ALA A 85 0.081 -0.780 -7.592 1.00 0.00 O ATOM 1321 CB ALA A 85 -2.115 -2.011 -9.637 1.00 0.00 C ATOM 0 H ALA A 85 0.807 -2.638 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.544 -1.033 -10.707 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.802 -1.168 -9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.313 -2.708 -10.451 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.258 -2.518 -8.683 1.00 0.00 H new ATOM 1327 N LYS A 86 -0.711 0.792 -8.974 1.00 0.00 N ATOM 1328 CA LYS A 86 -0.557 1.876 -8.013 1.00 0.00 C ATOM 1329 C LYS A 86 -1.631 2.936 -8.226 1.00 0.00 C ATOM 1330 O LYS A 86 -1.832 3.422 -9.341 1.00 0.00 O ATOM 1331 CB LYS A 86 0.842 2.494 -8.111 1.00 0.00 C ATOM 1332 CG LYS A 86 1.226 2.946 -9.509 1.00 0.00 C ATOM 1333 CD LYS A 86 2.652 3.465 -9.550 1.00 0.00 C ATOM 1334 CE LYS A 86 3.058 3.868 -10.958 1.00 0.00 C ATOM 1335 NZ LYS A 86 2.234 4.992 -11.476 1.00 0.00 N ATOM 0 H LYS A 86 -1.066 1.084 -9.885 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.676 1.464 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.897 3.349 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.574 1.765 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.120 2.113 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.543 3.728 -9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.748 4.322 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.331 2.696 -9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.109 4.157 -10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.960 3.010 -11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.648 5.347 -12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.266 4.658 -11.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.211 5.758 -10.773 1.00 0.00 H new ATOM 1349 N VAL A 87 -2.330 3.279 -7.156 1.00 0.00 N ATOM 1350 CA VAL A 87 -3.436 4.222 -7.225 1.00 0.00 C ATOM 1351 C VAL A 87 -3.323 5.266 -6.128 1.00 0.00 C ATOM 1352 O VAL A 87 -2.975 4.951 -4.990 1.00 0.00 O ATOM 1353 CB VAL A 87 -4.802 3.513 -7.131 1.00 0.00 C ATOM 1354 CG1 VAL A 87 -5.147 2.829 -8.443 1.00 0.00 C ATOM 1355 CG2 VAL A 87 -4.796 2.503 -5.999 1.00 0.00 C ATOM 0 H VAL A 87 -2.149 2.915 -6.221 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.376 4.713 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.563 4.266 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.115 2.336 -8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.191 3.571 -9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.383 2.088 -8.679 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.767 2.011 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.021 1.758 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.595 3.013 -5.057 1.00 0.00 H new ATOM 1365 N VAL A 88 -3.624 6.503 -6.472 1.00 0.00 N ATOM 1366 CA VAL A 88 -3.502 7.610 -5.537 1.00 0.00 C ATOM 1367 C VAL A 88 -4.864 8.009 -4.970 1.00 0.00 C ATOM 1368 O VAL A 88 -5.217 9.190 -4.939 1.00 0.00 O ATOM 1369 CB VAL A 88 -2.831 8.830 -6.209 1.00 0.00 C ATOM 1370 CG1 VAL A 88 -1.372 8.532 -6.513 1.00 0.00 C ATOM 1371 CG2 VAL A 88 -3.563 9.222 -7.488 1.00 0.00 C ATOM 0 H VAL A 88 -3.957 6.770 -7.398 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.872 7.273 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.884 9.668 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.914 9.401 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.846 8.304 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.308 7.677 -7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.070 10.083 -7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.547 8.386 -8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.596 9.478 -7.252 1.00 0.00 H new ATOM 1381 N GLY A 89 -5.627 7.022 -4.515 1.00 0.00 N ATOM 1382 CA GLY A 89 -6.942 7.297 -3.981 1.00 0.00 C ATOM 1383 C GLY A 89 -7.641 6.044 -3.502 1.00 0.00 C ATOM 1384 O GLY A 89 -7.672 5.031 -4.207 1.00 0.00 O ATOM 0 H GLY A 89 -5.357 6.039 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.856 8.001 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.549 7.779 -4.747 1.00 0.00 H new ATOM 1388 N ALA A 90 -8.183 6.106 -2.298 1.00 0.00 N ATOM 1389 CA ALA A 90 -8.935 5.007 -1.729 1.00 0.00 C ATOM 1390 C ALA A 90 -10.253 4.817 -2.443 1.00 0.00 C ATOM 1391 O ALA A 90 -11.172 5.624 -2.301 1.00 0.00 O ATOM 1392 CB ALA A 90 -9.191 5.272 -0.272 1.00 0.00 C ATOM 0 H ALA A 90 -8.113 6.921 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.347 4.097 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.757 4.444 0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.241 5.370 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.761 6.195 -0.165 1.00 0.00 H new ATOM 1398 N ASN A 91 -10.346 3.758 -3.210 1.00 0.00 N ATOM 1399 CA ASN A 91 -11.575 3.443 -3.899 1.00 0.00 C ATOM 1400 C ASN A 91 -12.107 2.108 -3.400 1.00 0.00 C ATOM 1401 O ASN A 91 -11.783 1.069 -3.962 1.00 0.00 O ATOM 1402 CB ASN A 91 -11.316 3.397 -5.399 1.00 0.00 C ATOM 1403 CG ASN A 91 -12.472 3.966 -6.202 1.00 0.00 C ATOM 1404 OD1 ASN A 91 -12.741 3.533 -7.322 1.00 0.00 O ATOM 1405 ND2 ASN A 91 -13.161 4.952 -5.644 1.00 0.00 N ATOM 0 H ASN A 91 -9.585 3.099 -3.373 1.00 0.00 H new ATOM 0 HA ASN A 91 -12.323 4.211 -3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.409 3.957 -5.626 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.138 2.365 -5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.942 5.376 -6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.910 5.286 -4.714 1.00 0.00 H new ATOM 1412 N PRO A 92 -12.941 2.141 -2.342 1.00 0.00 N ATOM 1413 CA PRO A 92 -13.415 0.959 -1.612 1.00 0.00 C ATOM 1414 C PRO A 92 -13.504 -0.333 -2.431 1.00 0.00 C ATOM 1415 O PRO A 92 -12.739 -1.266 -2.200 1.00 0.00 O ATOM 1416 CB PRO A 92 -14.790 1.414 -1.155 1.00 0.00 C ATOM 1417 CG PRO A 92 -14.602 2.859 -0.832 1.00 0.00 C ATOM 1418 CD PRO A 92 -13.502 3.368 -1.742 1.00 0.00 C ATOM 0 HA PRO A 92 -12.721 0.676 -0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.537 1.273 -1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.128 0.851 -0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.526 3.415 -0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -14.329 2.989 0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.894 4.042 -2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.746 3.922 -1.184 1.00 0.00 H new ATOM 1426 N ALA A 93 -14.410 -0.383 -3.396 1.00 0.00 N ATOM 1427 CA ALA A 93 -14.645 -1.614 -4.143 1.00 0.00 C ATOM 1428 C ALA A 93 -13.608 -1.820 -5.238 1.00 0.00 C ATOM 1429 O ALA A 93 -13.101 -2.927 -5.413 1.00 0.00 O ATOM 1430 CB ALA A 93 -16.045 -1.619 -4.732 1.00 0.00 C ATOM 0 H ALA A 93 -14.991 0.406 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.552 -2.444 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.203 -2.544 -5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -16.778 -1.547 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.160 -0.769 -5.405 1.00 0.00 H new ATOM 1436 N ALA A 94 -13.281 -0.753 -5.958 1.00 0.00 N ATOM 1437 CA ALA A 94 -12.335 -0.846 -7.067 1.00 0.00 C ATOM 1438 C ALA A 94 -10.955 -1.262 -6.583 1.00 0.00 C ATOM 1439 O ALA A 94 -10.200 -1.902 -7.312 1.00 0.00 O ATOM 1440 CB ALA A 94 -12.249 0.473 -7.812 1.00 0.00 C ATOM 0 H ALA A 94 -13.654 0.182 -5.796 1.00 0.00 H new ATOM 0 HA ALA A 94 -12.703 -1.613 -7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.539 0.381 -8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.231 0.732 -8.208 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.915 1.255 -7.130 1.00 0.00 H new ATOM 1446 N ILE A 95 -10.626 -0.898 -5.353 1.00 0.00 N ATOM 1447 CA ILE A 95 -9.362 -1.302 -4.768 1.00 0.00 C ATOM 1448 C ILE A 95 -9.398 -2.777 -4.428 1.00 0.00 C ATOM 1449 O ILE A 95 -8.498 -3.529 -4.795 1.00 0.00 O ATOM 1450 CB ILE A 95 -9.009 -0.509 -3.493 1.00 0.00 C ATOM 1451 CG1 ILE A 95 -8.795 0.972 -3.811 1.00 0.00 C ATOM 1452 CG2 ILE A 95 -7.769 -1.097 -2.842 1.00 0.00 C ATOM 1453 CD1 ILE A 95 -7.746 1.228 -4.868 1.00 0.00 C ATOM 0 H ILE A 95 -11.214 -0.327 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.595 -1.093 -5.514 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.844 -0.586 -2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.741 1.403 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.509 1.492 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.527 -0.531 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.956 -2.137 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.933 -1.045 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.654 2.301 -5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.788 0.829 -4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.039 0.739 -5.797 1.00 0.00 H new ATOM 1465 N LYS A 96 -10.456 -3.195 -3.746 1.00 0.00 N ATOM 1466 CA LYS A 96 -10.586 -4.584 -3.338 1.00 0.00 C ATOM 1467 C LYS A 96 -10.675 -5.493 -4.562 1.00 0.00 C ATOM 1468 O LYS A 96 -10.259 -6.652 -4.530 1.00 0.00 O ATOM 1469 CB LYS A 96 -11.791 -4.775 -2.411 1.00 0.00 C ATOM 1470 CG LYS A 96 -11.732 -3.909 -1.164 1.00 0.00 C ATOM 1471 CD LYS A 96 -12.858 -4.222 -0.183 1.00 0.00 C ATOM 1472 CE LYS A 96 -14.237 -3.899 -0.747 1.00 0.00 C ATOM 1473 NZ LYS A 96 -14.792 -5.007 -1.571 1.00 0.00 N ATOM 0 H LYS A 96 -11.232 -2.595 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.695 -4.862 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.704 -4.546 -2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.851 -5.822 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.772 -4.055 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.786 -2.859 -1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.818 -5.278 0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.703 -3.654 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.920 -3.685 0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.175 -2.996 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.933 -4.677 -2.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.128 -5.808 -1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.704 -5.312 -1.174 1.00 0.00 H new ATOM 1487 N GLN A 97 -11.197 -4.954 -5.648 1.00 0.00 N ATOM 1488 CA GLN A 97 -11.204 -5.661 -6.917 1.00 0.00 C ATOM 1489 C GLN A 97 -9.796 -5.708 -7.496 1.00 0.00 C ATOM 1490 O GLN A 97 -9.374 -6.732 -8.041 1.00 0.00 O ATOM 1491 CB GLN A 97 -12.191 -4.980 -7.882 1.00 0.00 C ATOM 1492 CG GLN A 97 -12.246 -5.578 -9.286 1.00 0.00 C ATOM 1493 CD GLN A 97 -11.277 -4.919 -10.254 1.00 0.00 C ATOM 1494 OE1 GLN A 97 -10.141 -5.356 -10.422 1.00 0.00 O ATOM 1495 NE2 GLN A 97 -11.723 -3.852 -10.893 1.00 0.00 N ATOM 0 H GLN A 97 -11.623 -4.027 -5.678 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.533 -6.689 -6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.189 -5.024 -7.446 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.925 -3.926 -7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.025 -6.644 -9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -13.260 -5.483 -9.675 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.673 -3.518 -10.728 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.118 -3.362 -11.552 1.00 0.00 H new ATOM 1504 N ALA A 98 -9.059 -4.615 -7.334 1.00 0.00 N ATOM 1505 CA ALA A 98 -7.722 -4.507 -7.884 1.00 0.00 C ATOM 1506 C ALA A 98 -6.806 -5.535 -7.256 1.00 0.00 C ATOM 1507 O ALA A 98 -6.136 -6.289 -7.949 1.00 0.00 O ATOM 1508 CB ALA A 98 -7.172 -3.111 -7.674 1.00 0.00 C ATOM 0 H ALA A 98 -9.371 -3.789 -6.823 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.775 -4.700 -8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.168 -3.049 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.818 -2.387 -8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.134 -2.892 -6.607 1.00 0.00 H new ATOM 1514 N ILE A 99 -6.803 -5.578 -5.940 1.00 0.00 N ATOM 1515 CA ILE A 99 -5.942 -6.491 -5.200 1.00 0.00 C ATOM 1516 C ILE A 99 -6.123 -7.923 -5.694 1.00 0.00 C ATOM 1517 O ILE A 99 -5.155 -8.667 -5.837 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.229 -6.463 -3.682 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -6.464 -5.037 -3.181 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -5.072 -7.096 -2.942 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -5.491 -4.034 -3.732 1.00 0.00 C ATOM 0 H ILE A 99 -7.391 -4.987 -5.352 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.919 -6.155 -5.372 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.141 -7.030 -3.493 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.476 -4.731 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.403 -5.029 -2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.272 -7.078 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.951 -8.128 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.158 -6.539 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.721 -3.046 -3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.478 -4.315 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.568 -4.012 -4.819 1.00 0.00 H new ATOM 1533 N ALA A 100 -7.366 -8.289 -5.984 1.00 0.00 N ATOM 1534 CA ALA A 100 -7.675 -9.638 -6.443 1.00 0.00 C ATOM 1535 C ALA A 100 -7.310 -9.817 -7.916 1.00 0.00 C ATOM 1536 O ALA A 100 -7.147 -10.938 -8.398 1.00 0.00 O ATOM 1537 CB ALA A 100 -9.147 -9.942 -6.218 1.00 0.00 C ATOM 0 H ALA A 100 -8.175 -7.672 -5.910 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.076 -10.341 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.367 -10.952 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.376 -9.865 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.755 -9.228 -6.773 1.00 0.00 H new ATOM 1543 N ALA A 101 -7.184 -8.701 -8.622 1.00 0.00 N ATOM 1544 CA ALA A 101 -6.827 -8.706 -10.034 1.00 0.00 C ATOM 1545 C ALA A 101 -5.320 -8.819 -10.222 1.00 0.00 C ATOM 1546 O ALA A 101 -4.839 -9.494 -11.133 1.00 0.00 O ATOM 1547 CB ALA A 101 -7.334 -7.436 -10.704 1.00 0.00 C ATOM 0 H ALA A 101 -7.326 -7.769 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.295 -9.575 -10.496 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.063 -7.448 -11.760 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.419 -7.382 -10.609 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.884 -6.567 -10.224 1.00 0.00 H new ATOM 1553 N ASN A 102 -4.579 -8.152 -9.350 1.00 0.00 N ATOM 1554 CA ASN A 102 -3.129 -8.086 -9.473 1.00 0.00 C ATOM 1555 C ASN A 102 -2.462 -9.307 -8.856 1.00 0.00 C ATOM 1556 O ASN A 102 -1.320 -9.630 -9.184 1.00 0.00 O ATOM 1557 CB ASN A 102 -2.599 -6.803 -8.832 1.00 0.00 C ATOM 1558 CG ASN A 102 -3.148 -5.559 -9.498 1.00 0.00 C ATOM 1559 OD1 ASN A 102 -2.655 -5.123 -10.536 1.00 0.00 O ATOM 1560 ND2 ASN A 102 -4.152 -4.964 -8.882 1.00 0.00 N ATOM 0 H ASN A 102 -4.958 -7.648 -8.548 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.883 -8.076 -10.535 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.862 -6.792 -7.774 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.511 -6.793 -8.890 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -4.550 -4.107 -9.266 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -4.530 -5.361 -8.022 1.00 0.00 H new ATOM 1567 N ALA A 103 -3.178 -9.977 -7.964 1.00 0.00 N ATOM 1568 CA ALA A 103 -2.667 -11.186 -7.331 1.00 0.00 C ATOM 1569 C ALA A 103 -2.685 -12.359 -8.305 1.00 0.00 C ATOM 1570 O ALA A 103 -1.659 -12.598 -8.974 1.00 0.00 O ATOM 1571 CB ALA A 103 -3.483 -11.516 -6.091 1.00 0.00 C ATOM 1572 OXT ALA A 103 -3.729 -13.036 -8.405 1.00 0.00 O ATOM 0 H ALA A 103 -4.114 -9.705 -7.662 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.634 -11.006 -7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.091 -12.421 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.420 -10.689 -5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.524 -11.674 -6.372 1.00 0.00 H new TER 1578 ALA A 103