USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 988 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 34 TYR OH : rot 145:sc= 1.4 USER MOD Set 1.2: A 36 HIS : no HD1:sc= -2.23! C(o=-0.83!,f=-15!) USER MOD Single : A 1 MET CE :methyl 178:sc= -0.396 (180deg=-0.42) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.5 (180deg=1.95) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -156:sc= 1.07 (180deg=0.896) USER MOD Single : A 10 SER OG : rot -100:sc= 1.26 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 1.98 K(o=2,f=-4.2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0562 USER MOD Single : A 26 SER OG : rot 110:sc= 0.527 USER MOD Single : A 29 SER OG : rot 180:sc= -0.107 USER MOD Single : A 38 HIS : no HD1:sc= 0.583 K(o=0.58,f=-4.2!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 62:sc= 1.21 USER MOD Single : A 52 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.056) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0.29 (180deg=0.258) USER MOD Single : A 65 ASN : amide:sc= -0.0213 X(o=-0.021,f=-0.068) USER MOD Single : A 77 GLN : amide:sc= -2.74! C(o=-2.7!,f=-5.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -153:sc= -0.228 (180deg=-1.06) USER MOD Single : A 91 GLN :FLIP amide:sc=-0.00432 F(o=-1.4!,f=-0.0043) USER MOD Single : A 94 MET CE :methyl -141:sc= -0.0219 (180deg=-2.52!) USER MOD Single : A 100 THR OG1 : rot -48:sc= -0.0487 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.779 K(o=-0.78,f=-4.9!) USER MOD Single : A 131 LYS NZ :NH3+ 176:sc= 0.434 (180deg=0.424) USER MOD Single : A 133 ASN :FLIP amide:sc= -0.0884 F(o=-2.9!,f=-0.088) USER MOD Single : A 143 THR OG1 : rot -79:sc= 0.753 USER MOD Single : A 149 HIS : no HD1:sc= -0.0115 X(o=-0.011,f=-0.29) USER MOD Single : A 151 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.0054) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.775 -19.018 7.490 1.00 0.00 N ATOM 2 CA MET A 1 11.607 -19.344 6.058 1.00 0.00 C ATOM 3 C MET A 1 11.279 -18.072 5.299 1.00 0.00 C ATOM 4 O MET A 1 10.556 -17.211 5.801 1.00 0.00 O ATOM 5 CB MET A 1 10.482 -20.370 5.855 1.00 0.00 C ATOM 6 CG MET A 1 9.092 -19.791 6.066 1.00 0.00 C ATOM 7 SD MET A 1 8.806 -19.266 7.768 1.00 0.00 S ATOM 8 CE MET A 1 7.741 -17.856 7.497 1.00 0.00 C ATOM 0 H1 MET A 1 12.148 -19.848 7.994 1.00 0.00 H new ATOM 0 H2 MET A 1 12.440 -18.225 7.590 1.00 0.00 H new ATOM 0 H3 MET A 1 10.855 -18.751 7.896 1.00 0.00 H new ATOM 0 HA MET A 1 12.534 -19.778 5.684 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.549 -20.777 4.846 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.630 -21.201 6.544 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.953 -18.940 5.400 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.347 -20.537 5.790 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.443 -17.436 8.457 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.276 -17.101 6.921 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.854 -18.170 6.947 1.00 0.00 H new ATOM 20 N LYS A 2 11.797 -17.953 4.096 1.00 0.00 N ATOM 21 CA LYS A 2 11.617 -16.742 3.322 1.00 0.00 C ATOM 22 C LYS A 2 10.733 -16.986 2.119 1.00 0.00 C ATOM 23 O LYS A 2 10.348 -18.118 1.824 1.00 0.00 O ATOM 24 CB LYS A 2 12.963 -16.184 2.864 1.00 0.00 C ATOM 25 CG LYS A 2 13.802 -17.170 2.073 1.00 0.00 C ATOM 26 CD LYS A 2 15.110 -16.553 1.629 1.00 0.00 C ATOM 27 CE LYS A 2 15.846 -15.978 2.818 1.00 0.00 C ATOM 28 NZ LYS A 2 17.259 -15.651 2.498 1.00 0.00 N ATOM 0 H LYS A 2 12.345 -18.678 3.633 1.00 0.00 H new ATOM 0 HA LYS A 2 11.131 -16.012 3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.789 -15.298 2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.528 -15.862 3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.002 -18.051 2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.243 -17.507 1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.728 -17.306 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.920 -15.769 0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.335 -15.078 3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.817 -16.692 3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.724 -15.260 3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.756 -16.514 2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.288 -14.950 1.730 1.00 0.00 H new ATOM 42 N VAL A 3 10.435 -15.907 1.431 1.00 0.00 N ATOM 43 CA VAL A 3 9.559 -15.939 0.276 1.00 0.00 C ATOM 44 C VAL A 3 10.322 -16.337 -0.984 1.00 0.00 C ATOM 45 O VAL A 3 11.334 -15.725 -1.338 1.00 0.00 O ATOM 46 CB VAL A 3 8.876 -14.571 0.079 1.00 0.00 C ATOM 47 CG1 VAL A 3 9.856 -13.451 0.368 1.00 0.00 C ATOM 48 CG2 VAL A 3 8.322 -14.428 -1.327 1.00 0.00 C ATOM 0 H VAL A 3 10.793 -14.979 1.655 1.00 0.00 H new ATOM 0 HA VAL A 3 8.792 -16.692 0.458 1.00 0.00 H new ATOM 0 HB VAL A 3 8.042 -14.508 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.362 -12.490 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.206 -13.530 1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.706 -13.527 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.847 -13.453 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.134 -14.517 -2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.587 -15.212 -1.510 1.00 0.00 H new ATOM 58 N ALA A 4 9.830 -17.374 -1.644 1.00 0.00 N ATOM 59 CA ALA A 4 10.407 -17.847 -2.890 1.00 0.00 C ATOM 60 C ALA A 4 9.309 -18.382 -3.795 1.00 0.00 C ATOM 61 O ALA A 4 8.123 -18.212 -3.503 1.00 0.00 O ATOM 62 CB ALA A 4 11.455 -18.919 -2.625 1.00 0.00 C ATOM 0 H ALA A 4 9.021 -17.910 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 4 10.900 -17.012 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.875 -19.260 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.249 -18.505 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.992 -19.761 -2.110 1.00 0.00 H new ATOM 68 N LYS A 5 9.701 -19.011 -4.885 1.00 0.00 N ATOM 69 CA LYS A 5 8.756 -19.565 -5.833 1.00 0.00 C ATOM 70 C LYS A 5 7.930 -20.682 -5.183 1.00 0.00 C ATOM 71 O LYS A 5 8.405 -21.365 -4.273 1.00 0.00 O ATOM 72 CB LYS A 5 9.527 -20.070 -7.052 1.00 0.00 C ATOM 73 CG LYS A 5 8.654 -20.623 -8.158 1.00 0.00 C ATOM 74 CD LYS A 5 9.494 -21.133 -9.318 1.00 0.00 C ATOM 75 CE LYS A 5 8.733 -22.124 -10.183 1.00 0.00 C ATOM 76 NZ LYS A 5 8.739 -23.491 -9.595 1.00 0.00 N ATOM 0 H LYS A 5 10.679 -19.152 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 5 8.053 -18.796 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.126 -19.252 -7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.222 -20.846 -6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.038 -21.433 -7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.975 -19.847 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.815 -20.290 -9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.395 -21.608 -8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.704 -21.785 -10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.178 -22.154 -11.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.591 -24.193 -10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.654 -23.666 -9.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.976 -23.570 -8.893 1.00 0.00 H new ATOM 90 N ASP A 6 6.699 -20.858 -5.675 1.00 0.00 N ATOM 91 CA ASP A 6 5.718 -21.810 -5.121 1.00 0.00 C ATOM 92 C ASP A 6 5.475 -21.657 -3.613 1.00 0.00 C ATOM 93 O ASP A 6 4.795 -22.483 -2.995 1.00 0.00 O ATOM 94 CB ASP A 6 6.130 -23.241 -5.454 1.00 0.00 C ATOM 95 CG ASP A 6 6.118 -23.490 -6.946 1.00 0.00 C ATOM 96 OD1 ASP A 6 5.019 -23.608 -7.531 1.00 0.00 O ATOM 97 OD2 ASP A 6 7.201 -23.542 -7.550 1.00 0.00 O ATOM 0 H ASP A 6 6.347 -20.339 -6.479 1.00 0.00 H new ATOM 0 HA ASP A 6 4.766 -21.574 -5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 6 7.128 -23.434 -5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 6 5.453 -23.939 -4.962 1.00 0.00 H new ATOM 102 N LEU A 7 6.031 -20.615 -3.026 1.00 0.00 N ATOM 103 CA LEU A 7 5.766 -20.283 -1.640 1.00 0.00 C ATOM 104 C LEU A 7 4.754 -19.161 -1.573 1.00 0.00 C ATOM 105 O LEU A 7 5.092 -17.997 -1.799 1.00 0.00 O ATOM 106 CB LEU A 7 7.061 -19.882 -0.933 1.00 0.00 C ATOM 107 CG LEU A 7 7.752 -21.016 -0.182 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.253 -20.841 -0.200 1.00 0.00 C ATOM 109 CD2 LEU A 7 7.258 -21.062 1.249 1.00 0.00 C ATOM 0 H LEU A 7 6.676 -19.978 -3.494 1.00 0.00 H new ATOM 0 HA LEU A 7 5.359 -21.158 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.753 -19.479 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.842 -19.079 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 7 7.510 -21.954 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.722 -21.662 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.607 -20.838 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.515 -19.896 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.755 -21.874 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.482 -20.116 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.181 -21.229 1.257 1.00 0.00 H new ATOM 121 N VAL A 8 3.504 -19.509 -1.310 1.00 0.00 N ATOM 122 CA VAL A 8 2.461 -18.511 -1.250 1.00 0.00 C ATOM 123 C VAL A 8 2.653 -17.637 -0.013 1.00 0.00 C ATOM 124 O VAL A 8 3.045 -18.104 1.056 1.00 0.00 O ATOM 125 CB VAL A 8 1.054 -19.168 -1.234 1.00 0.00 C ATOM 126 CG1 VAL A 8 0.861 -20.018 0.013 1.00 0.00 C ATOM 127 CG2 VAL A 8 -0.051 -18.124 -1.341 1.00 0.00 C ATOM 0 H VAL A 8 3.194 -20.465 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 8 2.528 -17.890 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 8 0.990 -19.817 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.133 -20.466 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.614 -20.806 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.963 -19.392 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.022 -18.619 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.017 -17.435 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.060 -17.571 -2.273 1.00 0.00 H new ATOM 137 N VAL A 9 2.400 -16.365 -0.178 1.00 0.00 N ATOM 138 CA VAL A 9 2.506 -15.437 0.929 1.00 0.00 C ATOM 139 C VAL A 9 1.336 -14.481 0.944 1.00 0.00 C ATOM 140 O VAL A 9 0.660 -14.276 -0.067 1.00 0.00 O ATOM 141 CB VAL A 9 3.834 -14.635 0.902 1.00 0.00 C ATOM 142 CG1 VAL A 9 5.035 -15.546 0.694 1.00 0.00 C ATOM 143 CG2 VAL A 9 3.802 -13.551 -0.155 1.00 0.00 C ATOM 0 H VAL A 9 2.120 -15.944 -1.064 1.00 0.00 H new ATOM 0 HA VAL A 9 2.496 -16.037 1.839 1.00 0.00 H new ATOM 0 HB VAL A 9 3.939 -14.158 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.947 -14.949 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.087 -16.270 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.932 -16.073 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.747 -13.008 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.651 -14.003 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.985 -12.861 0.056 1.00 0.00 H new ATOM 153 N SER A 10 1.108 -13.909 2.102 1.00 0.00 N ATOM 154 CA SER A 10 0.074 -12.942 2.276 1.00 0.00 C ATOM 155 C SER A 10 0.743 -11.653 2.669 1.00 0.00 C ATOM 156 O SER A 10 1.483 -11.594 3.649 1.00 0.00 O ATOM 157 CB SER A 10 -0.921 -13.409 3.338 1.00 0.00 C ATOM 158 OG SER A 10 -1.417 -14.705 3.038 1.00 0.00 O ATOM 0 H SER A 10 1.642 -14.108 2.948 1.00 0.00 H new ATOM 0 HA SER A 10 -0.497 -12.803 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.438 -13.418 4.315 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.750 -12.704 3.399 1.00 0.00 H new ATOM 0 HG SER A 10 -2.301 -14.629 2.622 1.00 0.00 H new ATOM 164 N LEU A 11 0.585 -10.652 1.858 1.00 0.00 N ATOM 165 CA LEU A 11 1.239 -9.402 2.126 1.00 0.00 C ATOM 166 C LEU A 11 0.286 -8.244 1.926 1.00 0.00 C ATOM 167 O LEU A 11 -0.724 -8.373 1.249 1.00 0.00 O ATOM 168 CB LEU A 11 2.526 -9.297 1.276 1.00 0.00 C ATOM 169 CG LEU A 11 2.399 -9.007 -0.240 1.00 0.00 C ATOM 170 CD1 LEU A 11 1.337 -9.863 -0.909 1.00 0.00 C ATOM 171 CD2 LEU A 11 2.147 -7.531 -0.492 1.00 0.00 C ATOM 0 H LEU A 11 0.015 -10.672 1.012 1.00 0.00 H new ATOM 0 HA LEU A 11 1.543 -9.357 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.145 -8.513 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.072 -10.233 1.388 1.00 0.00 H new ATOM 0 HG LEU A 11 3.353 -9.277 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.289 -9.620 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.590 -10.916 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.369 -9.668 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.062 -7.354 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.222 -7.231 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.976 -6.947 -0.093 1.00 0.00 H new ATOM 183 N ALA A 12 0.619 -7.112 2.490 1.00 0.00 N ATOM 184 CA ALA A 12 -0.249 -5.965 2.445 1.00 0.00 C ATOM 185 C ALA A 12 0.510 -4.847 1.777 1.00 0.00 C ATOM 186 O ALA A 12 1.452 -4.300 2.343 1.00 0.00 O ATOM 187 CB ALA A 12 -0.692 -5.570 3.844 1.00 0.00 C ATOM 0 H ALA A 12 1.495 -6.960 2.991 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.153 -6.192 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.347 -4.701 3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.229 -6.400 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.182 -5.326 4.447 1.00 0.00 H new ATOM 193 N TYR A 13 0.134 -4.529 0.563 1.00 0.00 N ATOM 194 CA TYR A 13 0.888 -3.569 -0.204 1.00 0.00 C ATOM 195 C TYR A 13 0.018 -2.399 -0.582 1.00 0.00 C ATOM 196 O TYR A 13 -1.203 -2.506 -0.625 1.00 0.00 O ATOM 197 CB TYR A 13 1.464 -4.209 -1.471 1.00 0.00 C ATOM 198 CG TYR A 13 0.417 -4.543 -2.514 1.00 0.00 C ATOM 199 CD1 TYR A 13 -0.362 -5.686 -2.404 1.00 0.00 C ATOM 200 CD2 TYR A 13 0.205 -3.706 -3.605 1.00 0.00 C ATOM 201 CE1 TYR A 13 -1.322 -5.988 -3.351 1.00 0.00 C ATOM 202 CE2 TYR A 13 -0.753 -4.002 -4.556 1.00 0.00 C ATOM 203 CZ TYR A 13 -1.514 -5.143 -4.425 1.00 0.00 C ATOM 204 OH TYR A 13 -2.467 -5.443 -5.374 1.00 0.00 O ATOM 0 H TYR A 13 -0.681 -4.916 0.088 1.00 0.00 H new ATOM 0 HA TYR A 13 1.713 -3.220 0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.197 -3.531 -1.909 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.996 -5.120 -1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.216 -6.350 -1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.799 -2.810 -3.710 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.920 -6.882 -3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.904 -3.342 -5.398 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.475 -4.745 -6.062 1.00 0.00 H new ATOM 214 N GLN A 14 0.657 -1.295 -0.879 1.00 0.00 N ATOM 215 CA GLN A 14 -0.039 -0.116 -1.325 1.00 0.00 C ATOM 216 C GLN A 14 0.580 0.356 -2.620 1.00 0.00 C ATOM 217 O GLN A 14 1.769 0.663 -2.657 1.00 0.00 O ATOM 218 CB GLN A 14 0.046 0.989 -0.283 1.00 0.00 C ATOM 219 CG GLN A 14 -0.877 2.150 -0.579 1.00 0.00 C ATOM 220 CD GLN A 14 -0.600 3.347 0.295 1.00 0.00 C ATOM 221 OE1 GLN A 14 0.186 4.223 -0.063 1.00 0.00 O ATOM 222 NE2 GLN A 14 -1.248 3.399 1.441 1.00 0.00 N ATOM 0 H GLN A 14 1.670 -1.189 -0.819 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.090 -0.360 -1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.199 0.578 0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.072 1.352 -0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.771 2.436 -1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.910 1.833 -0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.891 2.650 1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.107 4.188 2.071 1.00 0.00 H new ATOM 231 N VAL A 15 -0.201 0.397 -3.683 1.00 0.00 N ATOM 232 CA VAL A 15 0.316 0.865 -4.950 1.00 0.00 C ATOM 233 C VAL A 15 -0.129 2.296 -5.227 1.00 0.00 C ATOM 234 O VAL A 15 -1.319 2.614 -5.288 1.00 0.00 O ATOM 235 CB VAL A 15 -0.056 -0.072 -6.128 1.00 0.00 C ATOM 236 CG1 VAL A 15 -1.520 -0.445 -6.139 1.00 0.00 C ATOM 237 CG2 VAL A 15 0.320 0.558 -7.443 1.00 0.00 C ATOM 0 H VAL A 15 -1.181 0.116 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 15 1.403 0.851 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 15 0.512 -0.991 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.722 -1.102 -6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.771 -0.960 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.125 0.457 -6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.052 -0.114 -8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.213 1.502 -7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.394 0.743 -7.464 1.00 0.00 H new ATOM 247 N ARG A 16 0.864 3.150 -5.365 1.00 0.00 N ATOM 248 CA ARG A 16 0.676 4.566 -5.582 1.00 0.00 C ATOM 249 C ARG A 16 1.608 5.024 -6.700 1.00 0.00 C ATOM 250 O ARG A 16 2.707 4.499 -6.845 1.00 0.00 O ATOM 251 CB ARG A 16 0.990 5.306 -4.279 1.00 0.00 C ATOM 252 CG ARG A 16 0.787 6.805 -4.343 1.00 0.00 C ATOM 253 CD ARG A 16 1.225 7.485 -3.055 1.00 0.00 C ATOM 254 NE ARG A 16 0.618 6.879 -1.873 1.00 0.00 N ATOM 255 CZ ARG A 16 -0.074 7.557 -0.959 1.00 0.00 C ATOM 256 NH1 ARG A 16 -0.314 8.853 -1.126 1.00 0.00 N ATOM 257 NH2 ARG A 16 -0.538 6.929 0.112 1.00 0.00 N ATOM 0 H ARG A 16 1.844 2.871 -5.328 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.352 4.780 -5.874 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.362 4.901 -3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.025 5.104 -4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.352 7.214 -5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.264 7.023 -4.531 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.310 7.433 -2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.959 8.541 -3.096 1.00 0.00 H new ATOM 0 HE ARG A 16 0.731 5.874 -1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.032 9.333 -1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.844 9.368 -0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.365 5.931 0.233 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.069 7.444 0.815 1.00 0.00 H new ATOM 271 N THR A 17 1.172 5.981 -7.493 1.00 0.00 N ATOM 272 CA THR A 17 1.973 6.449 -8.617 1.00 0.00 C ATOM 273 C THR A 17 2.943 7.554 -8.204 1.00 0.00 C ATOM 274 O THR A 17 2.978 7.960 -7.035 1.00 0.00 O ATOM 275 CB THR A 17 1.091 6.955 -9.769 1.00 0.00 C ATOM 276 OG1 THR A 17 0.065 7.816 -9.263 1.00 0.00 O ATOM 277 CG2 THR A 17 0.466 5.798 -10.525 1.00 0.00 C ATOM 0 H THR A 17 0.273 6.451 -7.385 1.00 0.00 H new ATOM 0 HA THR A 17 2.547 5.589 -8.960 1.00 0.00 H new ATOM 0 HB THR A 17 1.723 7.514 -10.458 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.490 8.134 -10.005 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.153 6.184 -11.335 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.252 5.167 -10.939 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.151 5.210 -9.845 1.00 0.00 H new ATOM 285 N GLU A 18 3.727 8.038 -9.163 1.00 0.00 N ATOM 286 CA GLU A 18 4.637 9.152 -8.931 1.00 0.00 C ATOM 287 C GLU A 18 3.845 10.407 -8.592 1.00 0.00 C ATOM 288 O GLU A 18 4.300 11.266 -7.836 1.00 0.00 O ATOM 289 CB GLU A 18 5.495 9.403 -10.173 1.00 0.00 C ATOM 290 CG GLU A 18 6.535 8.327 -10.423 1.00 0.00 C ATOM 291 CD GLU A 18 7.660 8.372 -9.411 1.00 0.00 C ATOM 292 OE1 GLU A 18 8.369 9.400 -9.355 1.00 0.00 O ATOM 293 OE2 GLU A 18 7.846 7.390 -8.671 1.00 0.00 O ATOM 0 H GLU A 18 3.749 7.672 -10.115 1.00 0.00 H new ATOM 0 HA GLU A 18 5.290 8.902 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.844 9.477 -11.044 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.998 10.365 -10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.057 7.348 -10.389 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.946 8.447 -11.426 1.00 0.00 H new ATOM 300 N ASP A 19 2.636 10.479 -9.143 1.00 0.00 N ATOM 301 CA ASP A 19 1.746 11.614 -8.928 1.00 0.00 C ATOM 302 C ASP A 19 1.328 11.712 -7.464 1.00 0.00 C ATOM 303 O ASP A 19 0.916 12.769 -6.988 1.00 0.00 O ATOM 304 CB ASP A 19 0.511 11.465 -9.822 1.00 0.00 C ATOM 305 CG ASP A 19 -0.590 12.449 -9.486 1.00 0.00 C ATOM 306 OD1 ASP A 19 -0.538 13.600 -9.971 1.00 0.00 O ATOM 307 OD2 ASP A 19 -1.520 12.072 -8.747 1.00 0.00 O ATOM 0 H ASP A 19 2.248 9.755 -9.748 1.00 0.00 H new ATOM 0 HA ASP A 19 2.277 12.530 -9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.805 11.600 -10.863 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.124 10.450 -9.729 1.00 0.00 H new ATOM 312 N GLY A 20 1.475 10.612 -6.743 1.00 0.00 N ATOM 313 CA GLY A 20 1.144 10.607 -5.337 1.00 0.00 C ATOM 314 C GLY A 20 -0.262 10.113 -5.074 1.00 0.00 C ATOM 315 O GLY A 20 -0.676 9.997 -3.920 1.00 0.00 O ATOM 0 H GLY A 20 1.818 9.723 -7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.853 9.975 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.252 11.616 -4.938 1.00 0.00 H new ATOM 319 N VAL A 21 -0.996 9.816 -6.137 1.00 0.00 N ATOM 320 CA VAL A 21 -2.352 9.308 -5.995 1.00 0.00 C ATOM 321 C VAL A 21 -2.333 7.787 -5.827 1.00 0.00 C ATOM 322 O VAL A 21 -1.591 7.077 -6.515 1.00 0.00 O ATOM 323 CB VAL A 21 -3.254 9.712 -7.190 1.00 0.00 C ATOM 324 CG1 VAL A 21 -2.782 9.080 -8.491 1.00 0.00 C ATOM 325 CG2 VAL A 21 -4.706 9.354 -6.913 1.00 0.00 C ATOM 0 H VAL A 21 -0.678 9.917 -7.101 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.780 9.761 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.179 10.793 -7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.440 9.387 -9.304 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.764 9.405 -8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.804 7.994 -8.397 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.321 9.646 -7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.792 8.279 -6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.047 9.880 -6.021 1.00 0.00 H new ATOM 335 N LEU A 22 -3.118 7.299 -4.882 1.00 0.00 N ATOM 336 CA LEU A 22 -3.194 5.876 -4.605 1.00 0.00 C ATOM 337 C LEU A 22 -4.172 5.217 -5.571 1.00 0.00 C ATOM 338 O LEU A 22 -5.333 5.616 -5.662 1.00 0.00 O ATOM 339 CB LEU A 22 -3.633 5.658 -3.152 1.00 0.00 C ATOM 340 CG LEU A 22 -3.326 4.281 -2.553 1.00 0.00 C ATOM 341 CD1 LEU A 22 -3.575 4.290 -1.058 1.00 0.00 C ATOM 342 CD2 LEU A 22 -4.168 3.204 -3.189 1.00 0.00 C ATOM 0 H LEU A 22 -3.717 7.874 -4.289 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.213 5.421 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.155 6.416 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.708 5.827 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.276 4.065 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.353 3.306 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.933 5.034 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.619 4.537 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.925 2.240 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.223 3.424 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.965 3.168 -4.259 1.00 0.00 H new ATOM 354 N VAL A 23 -3.696 4.208 -6.287 1.00 0.00 N ATOM 355 CA VAL A 23 -4.519 3.523 -7.272 1.00 0.00 C ATOM 356 C VAL A 23 -5.187 2.283 -6.675 1.00 0.00 C ATOM 357 O VAL A 23 -6.347 2.002 -6.969 1.00 0.00 O ATOM 358 CB VAL A 23 -3.702 3.130 -8.523 1.00 0.00 C ATOM 359 CG1 VAL A 23 -3.242 4.373 -9.271 1.00 0.00 C ATOM 360 CG2 VAL A 23 -2.509 2.270 -8.141 1.00 0.00 C ATOM 0 H VAL A 23 -2.746 3.847 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.296 4.225 -7.576 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.347 2.547 -9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.668 4.078 -10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.111 4.952 -9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.617 4.981 -8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.949 2.006 -9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.863 2.825 -7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.858 1.361 -7.650 1.00 0.00 H new ATOM 370 N ASP A 24 -4.459 1.550 -5.833 1.00 0.00 N ATOM 371 CA ASP A 24 -5.004 0.361 -5.178 1.00 0.00 C ATOM 372 C ASP A 24 -4.125 -0.004 -3.986 1.00 0.00 C ATOM 373 O ASP A 24 -2.983 0.440 -3.904 1.00 0.00 O ATOM 374 CB ASP A 24 -5.059 -0.812 -6.165 1.00 0.00 C ATOM 375 CG ASP A 24 -6.141 -1.818 -5.822 1.00 0.00 C ATOM 376 OD1 ASP A 24 -5.930 -2.646 -4.912 1.00 0.00 O ATOM 377 OD2 ASP A 24 -7.209 -1.790 -6.466 1.00 0.00 O ATOM 0 H ASP A 24 -3.491 1.758 -5.588 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.017 0.573 -4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.232 -0.427 -7.170 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.092 -1.315 -6.178 1.00 0.00 H new ATOM 382 N GLU A 25 -4.648 -0.763 -3.044 1.00 0.00 N ATOM 383 CA GLU A 25 -3.835 -1.242 -1.938 1.00 0.00 C ATOM 384 C GLU A 25 -4.541 -2.358 -1.177 1.00 0.00 C ATOM 385 O GLU A 25 -5.770 -2.401 -1.100 1.00 0.00 O ATOM 386 CB GLU A 25 -3.445 -0.092 -0.990 1.00 0.00 C ATOM 387 CG GLU A 25 -4.091 -0.153 0.393 1.00 0.00 C ATOM 388 CD GLU A 25 -3.790 1.069 1.234 1.00 0.00 C ATOM 389 OE1 GLU A 25 -2.772 1.068 1.961 1.00 0.00 O ATOM 390 OE2 GLU A 25 -4.572 2.037 1.180 1.00 0.00 O ATOM 0 H GLU A 25 -5.623 -1.061 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.917 -1.652 -2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.362 -0.091 -0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.714 0.854 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.170 -0.255 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.739 -1.043 0.915 1.00 0.00 H new ATOM 397 N SER A 26 -3.753 -3.267 -0.644 1.00 0.00 N ATOM 398 CA SER A 26 -4.245 -4.268 0.277 1.00 0.00 C ATOM 399 C SER A 26 -3.854 -3.843 1.679 1.00 0.00 C ATOM 400 O SER A 26 -2.668 -3.773 2.001 1.00 0.00 O ATOM 401 CB SER A 26 -3.669 -5.643 -0.059 1.00 0.00 C ATOM 402 OG SER A 26 -4.030 -6.027 -1.377 1.00 0.00 O ATOM 0 H SER A 26 -2.754 -3.333 -0.837 1.00 0.00 H new ATOM 0 HA SER A 26 -5.329 -4.349 0.201 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.583 -5.621 0.035 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.036 -6.381 0.654 1.00 0.00 H new ATOM 0 HG SER A 26 -3.236 -6.012 -1.951 1.00 0.00 H new ATOM 408 N PRO A 27 -4.844 -3.521 2.516 1.00 0.00 N ATOM 409 CA PRO A 27 -4.605 -2.922 3.829 1.00 0.00 C ATOM 410 C PRO A 27 -3.882 -3.860 4.784 1.00 0.00 C ATOM 411 O PRO A 27 -3.837 -5.071 4.578 1.00 0.00 O ATOM 412 CB PRO A 27 -6.015 -2.640 4.349 1.00 0.00 C ATOM 413 CG PRO A 27 -6.869 -3.623 3.634 1.00 0.00 C ATOM 414 CD PRO A 27 -6.279 -3.733 2.262 1.00 0.00 C ATOM 0 HA PRO A 27 -3.967 -2.042 3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.075 -2.772 5.429 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.321 -1.616 4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.868 -4.588 4.141 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.905 -3.287 3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.472 -4.708 1.814 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.686 -2.984 1.583 1.00 0.00 H new ATOM 422 N VAL A 28 -3.344 -3.284 5.847 1.00 0.00 N ATOM 423 CA VAL A 28 -2.646 -4.044 6.874 1.00 0.00 C ATOM 424 C VAL A 28 -3.622 -4.940 7.624 1.00 0.00 C ATOM 425 O VAL A 28 -3.225 -5.840 8.362 1.00 0.00 O ATOM 426 CB VAL A 28 -1.948 -3.103 7.876 1.00 0.00 C ATOM 427 CG1 VAL A 28 -1.118 -2.073 7.132 1.00 0.00 C ATOM 428 CG2 VAL A 28 -2.963 -2.419 8.784 1.00 0.00 C ATOM 0 H VAL A 28 -3.378 -2.280 6.023 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.892 -4.658 6.381 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.288 -3.700 8.505 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.629 -1.413 7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.363 -2.580 6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.765 -1.485 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.443 -1.761 9.481 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.655 -1.833 8.179 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.518 -3.173 9.342 1.00 0.00 H new ATOM 438 N SER A 29 -4.903 -4.668 7.429 1.00 0.00 N ATOM 439 CA SER A 29 -5.960 -5.422 8.077 1.00 0.00 C ATOM 440 C SER A 29 -6.252 -6.713 7.321 1.00 0.00 C ATOM 441 O SER A 29 -6.659 -7.715 7.915 1.00 0.00 O ATOM 442 CB SER A 29 -7.215 -4.560 8.164 1.00 0.00 C ATOM 443 OG SER A 29 -7.583 -4.067 6.885 1.00 0.00 O ATOM 0 H SER A 29 -5.236 -3.921 6.819 1.00 0.00 H new ATOM 0 HA SER A 29 -5.635 -5.692 9.082 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.034 -5.145 8.582 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.041 -3.725 8.843 1.00 0.00 H new ATOM 0 HG SER A 29 -8.391 -3.519 6.966 1.00 0.00 H new ATOM 449 N ALA A 30 -6.051 -6.684 6.009 1.00 0.00 N ATOM 450 CA ALA A 30 -6.265 -7.863 5.184 1.00 0.00 C ATOM 451 C ALA A 30 -5.227 -7.947 4.074 1.00 0.00 C ATOM 452 O ALA A 30 -5.197 -7.119 3.159 1.00 0.00 O ATOM 453 CB ALA A 30 -7.665 -7.847 4.594 1.00 0.00 C ATOM 0 H ALA A 30 -5.741 -5.859 5.496 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.159 -8.744 5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.811 -8.735 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.399 -7.839 5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.791 -6.956 3.979 1.00 0.00 H new ATOM 459 N PRO A 31 -4.387 -8.984 4.137 1.00 0.00 N ATOM 460 CA PRO A 31 -3.305 -9.213 3.178 1.00 0.00 C ATOM 461 C PRO A 31 -3.793 -9.736 1.826 1.00 0.00 C ATOM 462 O PRO A 31 -4.850 -10.363 1.729 1.00 0.00 O ATOM 463 CB PRO A 31 -2.437 -10.274 3.863 1.00 0.00 C ATOM 464 CG PRO A 31 -2.959 -10.389 5.255 1.00 0.00 C ATOM 465 CD PRO A 31 -4.401 -10.014 5.178 1.00 0.00 C ATOM 0 HA PRO A 31 -2.784 -8.284 2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.502 -11.229 3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.387 -9.981 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.838 -11.403 5.636 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.418 -9.728 5.932 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.030 -10.862 4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.775 -9.631 6.127 1.00 0.00 H new ATOM 473 N LEU A 32 -3.002 -9.466 0.797 1.00 0.00 N ATOM 474 CA LEU A 32 -3.190 -10.055 -0.521 1.00 0.00 C ATOM 475 C LEU A 32 -2.691 -11.492 -0.507 1.00 0.00 C ATOM 476 O LEU A 32 -1.611 -11.768 0.014 1.00 0.00 O ATOM 477 CB LEU A 32 -2.404 -9.269 -1.577 1.00 0.00 C ATOM 478 CG LEU A 32 -2.285 -9.961 -2.941 1.00 0.00 C ATOM 479 CD1 LEU A 32 -3.582 -9.855 -3.723 1.00 0.00 C ATOM 480 CD2 LEU A 32 -1.132 -9.385 -3.739 1.00 0.00 C ATOM 0 H LEU A 32 -2.208 -8.829 0.854 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.251 -10.025 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.882 -8.300 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.402 -9.077 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.084 -11.017 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.468 -10.354 -4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.386 -10.330 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.824 -8.805 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.067 -9.891 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.297 -8.320 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.201 -9.529 -3.190 1.00 0.00 H new ATOM 492 N ASP A 33 -3.468 -12.394 -1.078 1.00 0.00 N ATOM 493 CA ASP A 33 -3.065 -13.787 -1.174 1.00 0.00 C ATOM 494 C ASP A 33 -2.766 -14.120 -2.624 1.00 0.00 C ATOM 495 O ASP A 33 -3.635 -13.993 -3.487 1.00 0.00 O ATOM 496 CB ASP A 33 -4.162 -14.719 -0.646 1.00 0.00 C ATOM 497 CG ASP A 33 -4.534 -14.444 0.798 1.00 0.00 C ATOM 498 OD1 ASP A 33 -3.728 -14.750 1.702 1.00 0.00 O ATOM 499 OD2 ASP A 33 -5.649 -13.938 1.041 1.00 0.00 O ATOM 0 H ASP A 33 -4.381 -12.188 -1.482 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.174 -13.934 -0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.050 -14.615 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.828 -15.752 -0.738 1.00 0.00 H new ATOM 504 N TYR A 34 -1.543 -14.537 -2.898 1.00 0.00 N ATOM 505 CA TYR A 34 -1.142 -14.821 -4.263 1.00 0.00 C ATOM 506 C TYR A 34 -0.067 -15.897 -4.284 1.00 0.00 C ATOM 507 O TYR A 34 0.742 -15.996 -3.362 1.00 0.00 O ATOM 508 CB TYR A 34 -0.616 -13.544 -4.932 1.00 0.00 C ATOM 509 CG TYR A 34 0.824 -13.224 -4.592 1.00 0.00 C ATOM 510 CD1 TYR A 34 1.186 -12.763 -3.332 1.00 0.00 C ATOM 511 CD2 TYR A 34 1.826 -13.402 -5.535 1.00 0.00 C ATOM 512 CE1 TYR A 34 2.505 -12.486 -3.027 1.00 0.00 C ATOM 513 CE2 TYR A 34 3.143 -13.130 -5.236 1.00 0.00 C ATOM 514 CZ TYR A 34 3.480 -12.671 -3.984 1.00 0.00 C ATOM 515 OH TYR A 34 4.799 -12.393 -3.690 1.00 0.00 O ATOM 0 H TYR A 34 -0.815 -14.686 -2.199 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.010 -15.181 -4.815 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.710 -13.646 -6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.245 -12.704 -4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.425 -12.619 -2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.569 -13.760 -6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.771 -12.126 -2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.909 -13.277 -5.983 1.00 0.00 H new ATOM 0 HH TYR A 34 5.379 -13.030 -4.156 1.00 0.00 H new ATOM 525 N LEU A 35 -0.059 -16.695 -5.336 1.00 0.00 N ATOM 526 CA LEU A 35 0.960 -17.712 -5.497 1.00 0.00 C ATOM 527 C LEU A 35 2.228 -17.090 -6.064 1.00 0.00 C ATOM 528 O LEU A 35 2.262 -16.682 -7.222 1.00 0.00 O ATOM 529 CB LEU A 35 0.465 -18.833 -6.411 1.00 0.00 C ATOM 530 CG LEU A 35 1.462 -19.974 -6.612 1.00 0.00 C ATOM 531 CD1 LEU A 35 1.877 -20.547 -5.269 1.00 0.00 C ATOM 532 CD2 LEU A 35 0.866 -21.058 -7.497 1.00 0.00 C ATOM 0 H LEU A 35 -0.746 -16.658 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 35 1.181 -18.141 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.457 -19.242 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.217 -18.409 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 35 2.347 -19.579 -7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.587 -21.359 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.344 -19.766 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.998 -20.928 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.592 -21.861 -7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.035 -21.455 -7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.613 -20.636 -8.470 1.00 0.00 H new ATOM 544 N HIS A 36 3.263 -17.013 -5.245 1.00 0.00 N ATOM 545 CA HIS A 36 4.515 -16.402 -5.661 1.00 0.00 C ATOM 546 C HIS A 36 5.229 -17.301 -6.655 1.00 0.00 C ATOM 547 O HIS A 36 5.222 -18.525 -6.509 1.00 0.00 O ATOM 548 CB HIS A 36 5.407 -16.159 -4.440 1.00 0.00 C ATOM 549 CG HIS A 36 6.661 -15.399 -4.738 1.00 0.00 C ATOM 550 ND1 HIS A 36 6.838 -14.083 -4.382 1.00 0.00 N ATOM 551 CD2 HIS A 36 7.804 -15.774 -5.364 1.00 0.00 C ATOM 552 CE1 HIS A 36 8.030 -13.681 -4.775 1.00 0.00 C ATOM 553 NE2 HIS A 36 8.637 -14.687 -5.374 1.00 0.00 N ATOM 0 H HIS A 36 3.262 -17.366 -4.288 1.00 0.00 H new ATOM 0 HA HIS A 36 4.301 -15.447 -6.141 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.835 -15.614 -3.689 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.674 -17.121 -4.002 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.018 -16.748 -5.778 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.441 -12.693 -4.631 1.00 0.00 H new ATOM 0 HE2 HIS A 36 9.573 -14.660 -5.778 1.00 0.00 H new ATOM 562 N GLY A 37 5.838 -16.711 -7.668 1.00 0.00 N ATOM 563 CA GLY A 37 6.654 -17.501 -8.552 1.00 0.00 C ATOM 564 C GLY A 37 6.051 -17.707 -9.915 1.00 0.00 C ATOM 565 O GLY A 37 6.765 -17.925 -10.894 1.00 0.00 O ATOM 0 H GLY A 37 5.783 -15.717 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.625 -17.018 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.833 -18.474 -8.094 1.00 0.00 H new ATOM 569 N HIS A 38 4.737 -17.662 -9.966 1.00 0.00 N ATOM 570 CA HIS A 38 3.993 -17.930 -11.181 1.00 0.00 C ATOM 571 C HIS A 38 2.531 -17.702 -10.889 1.00 0.00 C ATOM 572 O HIS A 38 1.689 -18.577 -11.085 1.00 0.00 O ATOM 573 CB HIS A 38 4.248 -19.355 -11.728 1.00 0.00 C ATOM 574 CG HIS A 38 3.925 -20.498 -10.801 1.00 0.00 C ATOM 575 ND1 HIS A 38 3.290 -21.638 -11.232 1.00 0.00 N ATOM 576 CD2 HIS A 38 4.225 -20.711 -9.498 1.00 0.00 C ATOM 577 CE1 HIS A 38 3.219 -22.503 -10.242 1.00 0.00 C ATOM 578 NE2 HIS A 38 3.780 -21.972 -9.173 1.00 0.00 N ATOM 0 H HIS A 38 4.150 -17.437 -9.162 1.00 0.00 H new ATOM 0 HA HIS A 38 4.330 -17.253 -11.966 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.664 -19.480 -12.640 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.299 -19.430 -12.009 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.722 -20.018 -8.835 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.774 -23.486 -10.296 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.869 -22.420 -8.261 1.00 0.00 H new ATOM 587 N GLY A 39 2.247 -16.509 -10.409 1.00 0.00 N ATOM 588 CA GLY A 39 0.951 -16.228 -9.877 1.00 0.00 C ATOM 589 C GLY A 39 0.458 -14.851 -10.221 1.00 0.00 C ATOM 590 O GLY A 39 0.059 -14.586 -11.354 1.00 0.00 O ATOM 0 H GLY A 39 2.901 -15.727 -10.381 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.242 -16.966 -10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.978 -16.337 -8.793 1.00 0.00 H new ATOM 594 N SER A 40 0.480 -13.977 -9.235 1.00 0.00 N ATOM 595 CA SER A 40 -0.234 -12.721 -9.385 1.00 0.00 C ATOM 596 C SER A 40 0.655 -11.477 -9.420 1.00 0.00 C ATOM 597 O SER A 40 0.561 -10.683 -10.357 1.00 0.00 O ATOM 598 CB SER A 40 -1.228 -12.610 -8.239 1.00 0.00 C ATOM 599 OG SER A 40 -2.027 -13.779 -8.147 1.00 0.00 O ATOM 0 H SER A 40 0.967 -14.103 -8.348 1.00 0.00 H new ATOM 0 HA SER A 40 -0.724 -12.746 -10.359 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.693 -12.456 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.866 -11.739 -8.389 1.00 0.00 H new ATOM 0 HG SER A 40 -2.658 -13.686 -7.403 1.00 0.00 H new ATOM 605 N LEU A 41 1.497 -11.283 -8.412 1.00 0.00 N ATOM 606 CA LEU A 41 2.443 -10.199 -8.476 1.00 0.00 C ATOM 607 C LEU A 41 3.448 -10.377 -9.564 1.00 0.00 C ATOM 608 O LEU A 41 3.964 -11.461 -9.822 1.00 0.00 O ATOM 609 CB LEU A 41 3.138 -9.975 -7.146 1.00 0.00 C ATOM 610 CG LEU A 41 2.236 -9.419 -6.053 1.00 0.00 C ATOM 611 CD1 LEU A 41 2.927 -9.481 -4.723 1.00 0.00 C ATOM 612 CD2 LEU A 41 1.890 -7.985 -6.349 1.00 0.00 C ATOM 0 H LEU A 41 1.538 -11.851 -7.566 1.00 0.00 H new ATOM 0 HA LEU A 41 1.860 -9.309 -8.712 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.560 -10.921 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.972 -9.289 -7.296 1.00 0.00 H new ATOM 0 HG LEU A 41 1.328 -10.022 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.269 -9.080 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.172 -10.517 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.843 -8.891 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.244 -7.596 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.804 -7.392 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.371 -7.926 -7.306 1.00 0.00 H new ATOM 624 N ILE A 42 3.650 -9.273 -10.218 1.00 0.00 N ATOM 625 CA ILE A 42 4.597 -9.115 -11.288 1.00 0.00 C ATOM 626 C ILE A 42 6.017 -9.546 -10.946 1.00 0.00 C ATOM 627 O ILE A 42 6.345 -9.820 -9.794 1.00 0.00 O ATOM 628 CB ILE A 42 4.664 -7.631 -11.626 1.00 0.00 C ATOM 629 CG1 ILE A 42 4.903 -6.903 -10.300 1.00 0.00 C ATOM 630 CG2 ILE A 42 3.383 -7.168 -12.309 1.00 0.00 C ATOM 631 CD1 ILE A 42 5.102 -5.421 -10.404 1.00 0.00 C ATOM 0 H ILE A 42 3.136 -8.416 -10.013 1.00 0.00 H new ATOM 0 HA ILE A 42 4.250 -9.750 -12.104 1.00 0.00 H new ATOM 0 HB ILE A 42 5.467 -7.416 -12.331 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.054 -7.093 -9.643 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.780 -7.337 -9.820 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.457 -6.105 -12.539 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.239 -7.730 -13.232 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.535 -7.337 -11.645 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.263 -5.005 -9.410 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.971 -5.213 -11.029 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.217 -4.965 -10.849 1.00 0.00 H new ATOM 643 N SER A 43 6.870 -9.496 -11.953 1.00 0.00 N ATOM 644 CA SER A 43 8.272 -9.827 -11.798 1.00 0.00 C ATOM 645 C SER A 43 8.982 -8.816 -10.898 1.00 0.00 C ATOM 646 O SER A 43 9.670 -9.193 -9.947 1.00 0.00 O ATOM 647 CB SER A 43 8.925 -9.821 -13.172 1.00 0.00 C ATOM 648 OG SER A 43 8.200 -10.630 -14.085 1.00 0.00 O ATOM 0 H SER A 43 6.609 -9.225 -12.901 1.00 0.00 H new ATOM 0 HA SER A 43 8.353 -10.810 -11.335 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.978 -8.800 -13.549 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.949 -10.185 -13.093 1.00 0.00 H new ATOM 0 HG SER A 43 8.639 -10.608 -14.961 1.00 0.00 H new ATOM 654 N GLY A 44 8.770 -7.530 -11.179 1.00 0.00 N ATOM 655 CA GLY A 44 9.490 -6.478 -10.481 1.00 0.00 C ATOM 656 C GLY A 44 9.219 -6.449 -8.992 1.00 0.00 C ATOM 657 O GLY A 44 10.144 -6.341 -8.192 1.00 0.00 O ATOM 0 H GLY A 44 8.109 -7.198 -11.881 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.559 -6.609 -10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.217 -5.514 -10.911 1.00 0.00 H new ATOM 661 N LEU A 45 7.955 -6.561 -8.613 1.00 0.00 N ATOM 662 CA LEU A 45 7.596 -6.488 -7.210 1.00 0.00 C ATOM 663 C LEU A 45 7.988 -7.777 -6.511 1.00 0.00 C ATOM 664 O LEU A 45 8.709 -7.751 -5.526 1.00 0.00 O ATOM 665 CB LEU A 45 6.102 -6.203 -7.026 1.00 0.00 C ATOM 666 CG LEU A 45 5.665 -5.963 -5.579 1.00 0.00 C ATOM 667 CD1 LEU A 45 6.531 -4.897 -4.929 1.00 0.00 C ATOM 668 CD2 LEU A 45 4.201 -5.556 -5.524 1.00 0.00 C ATOM 0 H LEU A 45 7.171 -6.701 -9.250 1.00 0.00 H new ATOM 0 HA LEU A 45 8.142 -5.658 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.838 -5.328 -7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.535 -7.043 -7.427 1.00 0.00 H new ATOM 0 HG LEU A 45 5.788 -6.895 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.205 -4.740 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.572 -5.221 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.438 -3.964 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.908 -5.390 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.057 -4.638 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.587 -6.348 -5.952 1.00 0.00 H new ATOM 680 N GLU A 46 7.527 -8.893 -7.067 1.00 0.00 N ATOM 681 CA GLU A 46 7.832 -10.212 -6.511 1.00 0.00 C ATOM 682 C GLU A 46 9.325 -10.374 -6.216 1.00 0.00 C ATOM 683 O GLU A 46 9.692 -10.906 -5.170 1.00 0.00 O ATOM 684 CB GLU A 46 7.377 -11.352 -7.413 1.00 0.00 C ATOM 685 CG GLU A 46 6.005 -11.905 -7.080 1.00 0.00 C ATOM 686 CD GLU A 46 5.828 -13.327 -7.586 1.00 0.00 C ATOM 687 OE1 GLU A 46 6.847 -14.003 -7.836 1.00 0.00 O ATOM 688 OE2 GLU A 46 4.677 -13.790 -7.694 1.00 0.00 O ATOM 0 H GLU A 46 6.941 -8.913 -7.902 1.00 0.00 H new ATOM 0 HA GLU A 46 7.271 -10.268 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.374 -11.003 -8.446 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.106 -12.160 -7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.857 -11.883 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.240 -11.266 -7.520 1.00 0.00 H new ATOM 695 N THR A 47 10.180 -9.912 -7.126 1.00 0.00 N ATOM 696 CA THR A 47 11.624 -10.002 -6.929 1.00 0.00 C ATOM 697 C THR A 47 12.091 -9.140 -5.749 1.00 0.00 C ATOM 698 O THR A 47 13.072 -9.470 -5.084 1.00 0.00 O ATOM 699 CB THR A 47 12.391 -9.592 -8.206 1.00 0.00 C ATOM 700 OG1 THR A 47 11.935 -10.368 -9.324 1.00 0.00 O ATOM 701 CG2 THR A 47 13.889 -9.797 -8.032 1.00 0.00 C ATOM 0 H THR A 47 9.899 -9.474 -8.003 1.00 0.00 H new ATOM 0 HA THR A 47 11.845 -11.045 -6.703 1.00 0.00 H new ATOM 0 HB THR A 47 12.200 -8.534 -8.388 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.985 -10.188 -9.481 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.405 -9.501 -8.945 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.245 -9.189 -7.200 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.091 -10.848 -7.826 1.00 0.00 H new ATOM 709 N ALA A 48 11.384 -8.043 -5.477 1.00 0.00 N ATOM 710 CA ALA A 48 11.742 -7.178 -4.373 1.00 0.00 C ATOM 711 C ALA A 48 11.292 -7.828 -3.080 1.00 0.00 C ATOM 712 O ALA A 48 11.965 -7.761 -2.057 1.00 0.00 O ATOM 713 CB ALA A 48 11.102 -5.805 -4.543 1.00 0.00 C ATOM 0 H ALA A 48 10.567 -7.741 -6.007 1.00 0.00 H new ATOM 0 HA ALA A 48 12.823 -7.037 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.381 -5.167 -3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.449 -5.355 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.018 -5.910 -4.573 1.00 0.00 H new ATOM 719 N LEU A 49 10.134 -8.463 -3.165 1.00 0.00 N ATOM 720 CA LEU A 49 9.539 -9.179 -2.047 1.00 0.00 C ATOM 721 C LEU A 49 10.401 -10.369 -1.661 1.00 0.00 C ATOM 722 O LEU A 49 10.563 -10.682 -0.482 1.00 0.00 O ATOM 723 CB LEU A 49 8.138 -9.658 -2.440 1.00 0.00 C ATOM 724 CG LEU A 49 7.355 -8.658 -3.288 1.00 0.00 C ATOM 725 CD1 LEU A 49 5.948 -9.144 -3.589 1.00 0.00 C ATOM 726 CD2 LEU A 49 7.354 -7.295 -2.621 1.00 0.00 C ATOM 0 H LEU A 49 9.576 -8.497 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 49 9.470 -8.508 -1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.227 -10.595 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.571 -9.873 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 49 7.856 -8.565 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.428 -8.401 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.997 -10.086 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.407 -9.294 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.793 -6.590 -3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.889 -7.371 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.380 -6.943 -2.510 1.00 0.00 H new ATOM 738 N GLU A 50 10.945 -11.013 -2.681 1.00 0.00 N ATOM 739 CA GLU A 50 11.764 -12.206 -2.528 1.00 0.00 C ATOM 740 C GLU A 50 12.926 -12.027 -1.558 1.00 0.00 C ATOM 741 O GLU A 50 13.438 -10.924 -1.345 1.00 0.00 O ATOM 742 CB GLU A 50 12.268 -12.692 -3.885 1.00 0.00 C ATOM 743 CG GLU A 50 11.492 -13.895 -4.383 1.00 0.00 C ATOM 744 CD GLU A 50 11.760 -14.236 -5.830 1.00 0.00 C ATOM 745 OE1 GLU A 50 12.826 -14.804 -6.130 1.00 0.00 O ATOM 746 OE2 GLU A 50 10.874 -13.978 -6.669 1.00 0.00 O ATOM 0 H GLU A 50 10.829 -10.719 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 50 11.115 -12.964 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.188 -11.883 -4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 50 13.325 -12.949 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.740 -14.757 -3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.426 -13.707 -4.255 1.00 0.00 H new ATOM 753 N GLY A 51 13.321 -13.151 -0.982 1.00 0.00 N ATOM 754 CA GLY A 51 14.395 -13.160 -0.001 1.00 0.00 C ATOM 755 C GLY A 51 14.000 -12.675 1.383 1.00 0.00 C ATOM 756 O GLY A 51 14.738 -12.886 2.345 1.00 0.00 O ATOM 0 H GLY A 51 12.916 -14.067 -1.176 1.00 0.00 H new ATOM 0 HA2 GLY A 51 14.783 -14.175 0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.210 -12.537 -0.370 1.00 0.00 H new ATOM 760 N HIS A 52 12.854 -12.027 1.493 1.00 0.00 N ATOM 761 CA HIS A 52 12.439 -11.452 2.769 1.00 0.00 C ATOM 762 C HIS A 52 11.661 -12.474 3.571 1.00 0.00 C ATOM 763 O HIS A 52 11.242 -13.499 3.036 1.00 0.00 O ATOM 764 CB HIS A 52 11.580 -10.199 2.573 1.00 0.00 C ATOM 765 CG HIS A 52 12.320 -9.045 1.973 1.00 0.00 C ATOM 766 ND1 HIS A 52 13.472 -8.532 2.522 1.00 0.00 N ATOM 767 CD2 HIS A 52 12.073 -8.308 0.865 1.00 0.00 C ATOM 768 CE1 HIS A 52 13.906 -7.532 1.780 1.00 0.00 C ATOM 769 NE2 HIS A 52 13.075 -7.376 0.769 1.00 0.00 N ATOM 0 H HIS A 52 12.197 -11.884 0.726 1.00 0.00 H new ATOM 0 HA HIS A 52 13.342 -11.166 3.309 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.733 -10.447 1.933 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.173 -9.895 3.537 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.243 -8.431 0.185 1.00 0.00 H new ATOM 0 HE1 HIS A 52 14.791 -6.942 1.968 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.163 -6.675 0.033 1.00 0.00 H new ATOM 778 N GLU A 53 11.474 -12.210 4.852 1.00 0.00 N ATOM 779 CA GLU A 53 10.634 -13.048 5.678 1.00 0.00 C ATOM 780 C GLU A 53 9.545 -12.192 6.296 1.00 0.00 C ATOM 781 O GLU A 53 9.649 -10.966 6.295 1.00 0.00 O ATOM 782 CB GLU A 53 11.445 -13.763 6.765 1.00 0.00 C ATOM 783 CG GLU A 53 12.428 -14.785 6.217 1.00 0.00 C ATOM 784 CD GLU A 53 13.200 -15.505 7.306 1.00 0.00 C ATOM 785 OE1 GLU A 53 13.701 -14.837 8.232 1.00 0.00 O ATOM 786 OE2 GLU A 53 13.304 -16.753 7.248 1.00 0.00 O ATOM 0 H GLU A 53 11.895 -11.420 5.340 1.00 0.00 H new ATOM 0 HA GLU A 53 10.186 -13.822 5.055 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.992 -13.021 7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.759 -14.262 7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.887 -15.517 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.131 -14.285 5.551 1.00 0.00 H new ATOM 793 N VAL A 54 8.497 -12.833 6.780 1.00 0.00 N ATOM 794 CA VAL A 54 7.341 -12.130 7.327 1.00 0.00 C ATOM 795 C VAL A 54 7.736 -10.998 8.290 1.00 0.00 C ATOM 796 O VAL A 54 8.718 -11.089 9.035 1.00 0.00 O ATOM 797 CB VAL A 54 6.337 -13.099 8.009 1.00 0.00 C ATOM 798 CG1 VAL A 54 6.627 -14.542 7.636 1.00 0.00 C ATOM 799 CG2 VAL A 54 6.312 -12.934 9.520 1.00 0.00 C ATOM 0 H VAL A 54 8.419 -13.850 6.807 1.00 0.00 H new ATOM 0 HA VAL A 54 6.843 -11.673 6.472 1.00 0.00 H new ATOM 0 HB VAL A 54 5.347 -12.836 7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.908 -15.197 8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.546 -14.662 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.635 -14.805 7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.595 -13.633 9.951 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.304 -13.136 9.925 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.019 -11.914 9.770 1.00 0.00 H new ATOM 809 N GLY A 55 6.962 -9.925 8.230 1.00 0.00 N ATOM 810 CA GLY A 55 7.172 -8.786 9.107 1.00 0.00 C ATOM 811 C GLY A 55 8.057 -7.703 8.515 1.00 0.00 C ATOM 812 O GLY A 55 8.283 -6.675 9.152 1.00 0.00 O ATOM 0 H GLY A 55 6.182 -9.820 7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.204 -8.352 9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.617 -9.135 10.038 1.00 0.00 H new ATOM 816 N ASP A 56 8.581 -7.928 7.318 1.00 0.00 N ATOM 817 CA ASP A 56 9.382 -6.907 6.645 1.00 0.00 C ATOM 818 C ASP A 56 8.489 -5.902 5.936 1.00 0.00 C ATOM 819 O ASP A 56 7.533 -6.278 5.249 1.00 0.00 O ATOM 820 CB ASP A 56 10.357 -7.527 5.639 1.00 0.00 C ATOM 821 CG ASP A 56 11.667 -7.956 6.274 1.00 0.00 C ATOM 822 OD1 ASP A 56 12.474 -7.074 6.645 1.00 0.00 O ATOM 823 OD2 ASP A 56 11.906 -9.176 6.402 1.00 0.00 O ATOM 0 H ASP A 56 8.470 -8.797 6.795 1.00 0.00 H new ATOM 0 HA ASP A 56 9.961 -6.395 7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.886 -8.391 5.170 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.562 -6.806 4.847 1.00 0.00 H new ATOM 828 N LYS A 57 8.799 -4.626 6.113 1.00 0.00 N ATOM 829 CA LYS A 57 8.054 -3.554 5.482 1.00 0.00 C ATOM 830 C LYS A 57 9.019 -2.530 4.902 1.00 0.00 C ATOM 831 O LYS A 57 9.922 -2.056 5.593 1.00 0.00 O ATOM 832 CB LYS A 57 7.117 -2.889 6.493 1.00 0.00 C ATOM 833 CG LYS A 57 6.254 -1.787 5.901 1.00 0.00 C ATOM 834 CD LYS A 57 6.719 -0.406 6.323 1.00 0.00 C ATOM 835 CE LYS A 57 5.852 0.684 5.709 1.00 0.00 C ATOM 836 NZ LYS A 57 4.425 0.581 6.128 1.00 0.00 N ATOM 0 H LYS A 57 9.573 -4.308 6.697 1.00 0.00 H new ATOM 0 HA LYS A 57 7.450 -3.969 4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.469 -3.650 6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.712 -2.474 7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.272 -1.858 4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.219 -1.931 6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.690 -0.327 7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.756 -0.262 6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.243 1.660 5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.914 0.624 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.894 1.392 5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.017 -0.301 5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.367 0.580 7.166 1.00 0.00 H new ATOM 850 N PHE A 58 8.827 -2.200 3.639 1.00 0.00 N ATOM 851 CA PHE A 58 9.710 -1.274 2.946 1.00 0.00 C ATOM 852 C PHE A 58 8.960 -0.629 1.790 1.00 0.00 C ATOM 853 O PHE A 58 7.777 -0.914 1.584 1.00 0.00 O ATOM 854 CB PHE A 58 10.969 -2.007 2.447 1.00 0.00 C ATOM 855 CG PHE A 58 10.722 -3.032 1.365 1.00 0.00 C ATOM 856 CD1 PHE A 58 10.152 -4.261 1.663 1.00 0.00 C ATOM 857 CD2 PHE A 58 11.070 -2.762 0.052 1.00 0.00 C ATOM 858 CE1 PHE A 58 9.933 -5.198 0.669 1.00 0.00 C ATOM 859 CE2 PHE A 58 10.855 -3.694 -0.945 1.00 0.00 C ATOM 860 CZ PHE A 58 10.284 -4.911 -0.638 1.00 0.00 C ATOM 0 H PHE A 58 8.063 -2.561 3.067 1.00 0.00 H new ATOM 0 HA PHE A 58 10.030 -0.493 3.635 1.00 0.00 H new ATOM 0 HB2 PHE A 58 11.677 -1.268 2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.443 -2.502 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.876 -4.489 2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.516 -1.810 -0.196 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.489 -6.152 0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.134 -3.470 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.111 -5.639 -1.417 1.00 0.00 H new ATOM 870 N ASP A 59 9.634 0.222 1.024 1.00 0.00 N ATOM 871 CA ASP A 59 8.991 0.905 -0.081 1.00 0.00 C ATOM 872 C ASP A 59 9.663 0.501 -1.378 1.00 0.00 C ATOM 873 O ASP A 59 10.854 0.192 -1.403 1.00 0.00 O ATOM 874 CB ASP A 59 9.036 2.424 0.086 1.00 0.00 C ATOM 875 CG ASP A 59 10.411 3.030 -0.140 1.00 0.00 C ATOM 876 OD1 ASP A 59 11.267 2.952 0.766 1.00 0.00 O ATOM 877 OD2 ASP A 59 10.635 3.620 -1.220 1.00 0.00 O ATOM 0 H ASP A 59 10.620 0.451 1.151 1.00 0.00 H new ATOM 0 HA ASP A 59 7.941 0.612 -0.099 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.331 2.877 -0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.698 2.679 1.091 1.00 0.00 H new ATOM 882 N VAL A 60 8.898 0.498 -2.449 1.00 0.00 N ATOM 883 CA VAL A 60 9.365 -0.028 -3.719 1.00 0.00 C ATOM 884 C VAL A 60 8.933 0.894 -4.841 1.00 0.00 C ATOM 885 O VAL A 60 7.843 1.451 -4.799 1.00 0.00 O ATOM 886 CB VAL A 60 8.788 -1.437 -4.000 1.00 0.00 C ATOM 887 CG1 VAL A 60 9.633 -2.193 -5.008 1.00 0.00 C ATOM 888 CG2 VAL A 60 8.647 -2.241 -2.727 1.00 0.00 C ATOM 0 H VAL A 60 7.943 0.856 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 60 10.452 -0.095 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 60 7.795 -1.295 -4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.199 -3.178 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.662 -1.639 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.646 -2.306 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.239 -3.224 -2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.625 -2.356 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.975 -1.723 -2.042 1.00 0.00 H new ATOM 898 N ALA A 61 9.784 1.064 -5.830 1.00 0.00 N ATOM 899 CA ALA A 61 9.421 1.801 -7.016 1.00 0.00 C ATOM 900 C ALA A 61 9.838 1.008 -8.233 1.00 0.00 C ATOM 901 O ALA A 61 11.027 0.793 -8.471 1.00 0.00 O ATOM 902 CB ALA A 61 10.062 3.177 -7.011 1.00 0.00 C ATOM 0 H ALA A 61 10.736 0.699 -5.833 1.00 0.00 H new ATOM 0 HA ALA A 61 8.341 1.948 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.775 3.715 -7.914 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.725 3.732 -6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.147 3.073 -6.980 1.00 0.00 H new ATOM 908 N VAL A 62 8.862 0.554 -8.986 1.00 0.00 N ATOM 909 CA VAL A 62 9.123 -0.314 -10.112 1.00 0.00 C ATOM 910 C VAL A 62 8.604 0.312 -11.392 1.00 0.00 C ATOM 911 O VAL A 62 7.472 0.803 -11.444 1.00 0.00 O ATOM 912 CB VAL A 62 8.477 -1.701 -9.902 1.00 0.00 C ATOM 913 CG1 VAL A 62 8.680 -2.592 -11.116 1.00 0.00 C ATOM 914 CG2 VAL A 62 9.047 -2.369 -8.664 1.00 0.00 C ATOM 0 H VAL A 62 7.877 0.772 -8.838 1.00 0.00 H new ATOM 0 HA VAL A 62 10.202 -0.446 -10.193 1.00 0.00 H new ATOM 0 HB VAL A 62 7.406 -1.553 -9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.214 -3.561 -10.938 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.225 -2.126 -11.990 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.747 -2.729 -11.292 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.581 -3.345 -8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 62 10.124 -2.493 -8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.846 -1.749 -7.791 1.00 0.00 H new ATOM 924 N GLY A 63 9.440 0.300 -12.416 1.00 0.00 N ATOM 925 CA GLY A 63 9.055 0.855 -13.689 1.00 0.00 C ATOM 926 C GLY A 63 8.076 -0.043 -14.403 1.00 0.00 C ATOM 927 O GLY A 63 8.059 -1.251 -14.168 1.00 0.00 O ATOM 0 H GLY A 63 10.383 -0.087 -12.385 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.608 1.838 -13.540 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.940 0.998 -14.309 1.00 0.00 H new ATOM 931 N ALA A 64 7.264 0.546 -15.268 1.00 0.00 N ATOM 932 CA ALA A 64 6.249 -0.179 -16.019 1.00 0.00 C ATOM 933 C ALA A 64 6.793 -1.437 -16.713 1.00 0.00 C ATOM 934 O ALA A 64 6.048 -2.379 -16.956 1.00 0.00 O ATOM 935 CB ALA A 64 5.633 0.756 -17.041 1.00 0.00 C ATOM 0 H ALA A 64 7.290 1.545 -15.470 1.00 0.00 H new ATOM 0 HA ALA A 64 5.498 -0.524 -15.308 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.871 0.223 -17.609 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.177 1.604 -16.530 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.407 1.114 -17.719 1.00 0.00 H new ATOM 941 N ASN A 65 8.084 -1.459 -17.024 1.00 0.00 N ATOM 942 CA ASN A 65 8.671 -2.592 -17.734 1.00 0.00 C ATOM 943 C ASN A 65 8.839 -3.805 -16.818 1.00 0.00 C ATOM 944 O ASN A 65 8.698 -4.944 -17.262 1.00 0.00 O ATOM 945 CB ASN A 65 10.007 -2.197 -18.374 1.00 0.00 C ATOM 946 CG ASN A 65 11.111 -1.965 -17.364 1.00 0.00 C ATOM 947 OD1 ASN A 65 11.245 -0.873 -16.814 1.00 0.00 O ATOM 948 ND2 ASN A 65 11.920 -2.983 -17.137 1.00 0.00 N ATOM 0 H ASN A 65 8.741 -0.712 -16.798 1.00 0.00 H new ATOM 0 HA ASN A 65 7.982 -2.878 -18.529 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.316 -2.981 -19.066 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.866 -1.290 -18.962 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.695 -2.882 -16.482 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.770 -3.871 -17.617 1.00 0.00 H new ATOM 955 N ASP A 66 9.129 -3.569 -15.544 1.00 0.00 N ATOM 956 CA ASP A 66 9.232 -4.666 -14.586 1.00 0.00 C ATOM 957 C ASP A 66 7.894 -4.885 -13.904 1.00 0.00 C ATOM 958 O ASP A 66 7.601 -5.973 -13.395 1.00 0.00 O ATOM 959 CB ASP A 66 10.304 -4.408 -13.523 1.00 0.00 C ATOM 960 CG ASP A 66 11.713 -4.594 -14.035 1.00 0.00 C ATOM 961 OD1 ASP A 66 12.157 -5.756 -14.165 1.00 0.00 O ATOM 962 OD2 ASP A 66 12.393 -3.582 -14.293 1.00 0.00 O ATOM 0 H ASP A 66 9.295 -2.642 -15.153 1.00 0.00 H new ATOM 0 HA ASP A 66 9.521 -5.556 -15.145 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.194 -3.391 -13.146 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.140 -5.080 -12.681 1.00 0.00 H new ATOM 967 N ALA A 67 7.097 -3.830 -13.882 1.00 0.00 N ATOM 968 CA ALA A 67 5.757 -3.886 -13.342 1.00 0.00 C ATOM 969 C ALA A 67 4.790 -4.331 -14.432 1.00 0.00 C ATOM 970 O ALA A 67 5.094 -5.242 -15.204 1.00 0.00 O ATOM 971 CB ALA A 67 5.365 -2.524 -12.774 1.00 0.00 C ATOM 0 H ALA A 67 7.364 -2.913 -14.239 1.00 0.00 H new ATOM 0 HA ALA A 67 5.717 -4.611 -12.529 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.354 -2.576 -12.369 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.059 -2.247 -11.981 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.401 -1.776 -13.566 1.00 0.00 H new ATOM 1119 N GLN A 77 -11.235 -9.083 -14.234 1.00 0.00 N ATOM 1120 CA GLN A 77 -11.601 -9.604 -12.948 1.00 0.00 C ATOM 1121 C GLN A 77 -12.481 -10.816 -13.087 1.00 0.00 C ATOM 1122 O GLN A 77 -12.932 -11.172 -14.177 1.00 0.00 O ATOM 1123 CB GLN A 77 -12.241 -8.528 -12.046 1.00 0.00 C ATOM 1124 CG GLN A 77 -13.720 -8.248 -12.283 1.00 0.00 C ATOM 1125 CD GLN A 77 -14.024 -7.758 -13.678 1.00 0.00 C ATOM 1126 OE1 GLN A 77 -14.340 -8.541 -14.553 1.00 0.00 O ATOM 1127 NE2 GLN A 77 -13.907 -6.462 -13.897 1.00 0.00 N ATOM 0 HA GLN A 77 -10.683 -9.918 -12.450 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -12.111 -8.830 -11.007 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.690 -7.597 -12.179 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -14.289 -9.158 -12.094 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.061 -7.504 -11.563 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.640 -5.838 -13.136 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.084 -6.084 -14.828 1.00 0.00 H new ATOM 1136 N ARG A 78 -12.681 -11.457 -11.968 1.00 0.00 N ATOM 1137 CA ARG A 78 -13.368 -12.712 -11.914 1.00 0.00 C ATOM 1138 C ARG A 78 -14.814 -12.499 -11.511 1.00 0.00 C ATOM 1139 O ARG A 78 -15.116 -11.682 -10.640 1.00 0.00 O ATOM 1140 CB ARG A 78 -12.620 -13.610 -10.937 1.00 0.00 C ATOM 1141 CG ARG A 78 -11.159 -13.757 -11.331 1.00 0.00 C ATOM 1142 CD ARG A 78 -10.242 -13.942 -10.137 1.00 0.00 C ATOM 1143 NE ARG A 78 -8.839 -13.881 -10.552 1.00 0.00 N ATOM 1144 CZ ARG A 78 -7.929 -13.067 -10.014 1.00 0.00 C ATOM 1145 NH1 ARG A 78 -8.236 -12.308 -8.969 1.00 0.00 N ATOM 1146 NH2 ARG A 78 -6.704 -13.010 -10.525 1.00 0.00 N ATOM 0 H ARG A 78 -12.367 -11.116 -11.059 1.00 0.00 H new ATOM 0 HA ARG A 78 -13.387 -13.193 -12.892 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.688 -13.194 -9.932 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.092 -14.592 -10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.052 -14.611 -12.000 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.848 -12.874 -11.889 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.442 -13.169 -9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.445 -14.901 -9.661 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.537 -14.502 -11.303 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.174 -12.344 -8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.534 -11.689 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.459 -13.589 -11.329 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.008 -12.388 -10.114 1.00 0.00 H new ATOM 1160 N VAL A 79 -15.695 -13.255 -12.136 1.00 0.00 N ATOM 1161 CA VAL A 79 -17.126 -13.113 -11.922 1.00 0.00 C ATOM 1162 C VAL A 79 -17.721 -14.504 -11.786 1.00 0.00 C ATOM 1163 O VAL A 79 -17.514 -15.358 -12.653 1.00 0.00 O ATOM 1164 CB VAL A 79 -17.832 -12.357 -13.067 1.00 0.00 C ATOM 1165 CG1 VAL A 79 -19.265 -12.035 -12.665 1.00 0.00 C ATOM 1166 CG2 VAL A 79 -17.081 -11.083 -13.437 1.00 0.00 C ATOM 0 H VAL A 79 -15.443 -13.983 -12.804 1.00 0.00 H new ATOM 0 HA VAL A 79 -17.278 -12.522 -11.019 1.00 0.00 H new ATOM 0 HB VAL A 79 -17.843 -13.000 -13.947 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -19.759 -11.501 -13.477 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -19.802 -12.961 -12.460 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -19.261 -11.412 -11.771 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -17.604 -10.574 -14.246 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -17.029 -10.426 -12.569 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.072 -11.337 -13.761 1.00 0.00 H new ATOM 1176 N PRO A 80 -18.432 -14.762 -10.682 1.00 0.00 N ATOM 1177 CA PRO A 80 -18.987 -16.083 -10.400 1.00 0.00 C ATOM 1178 C PRO A 80 -19.955 -16.527 -11.484 1.00 0.00 C ATOM 1179 O PRO A 80 -20.872 -15.799 -11.845 1.00 0.00 O ATOM 1180 CB PRO A 80 -19.728 -15.913 -9.072 1.00 0.00 C ATOM 1181 CG PRO A 80 -19.257 -14.618 -8.498 1.00 0.00 C ATOM 1182 CD PRO A 80 -18.764 -13.779 -9.641 1.00 0.00 C ATOM 0 HA PRO A 80 -18.208 -16.844 -10.359 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -20.807 -15.901 -9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -19.512 -16.740 -8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.067 -14.113 -7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -18.461 -14.786 -7.772 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -19.527 -13.079 -9.981 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -17.893 -13.188 -9.357 1.00 0.00 H new ATOM 1190 N LYS A 81 -19.720 -17.711 -12.024 1.00 0.00 N ATOM 1191 CA LYS A 81 -20.581 -18.276 -13.061 1.00 0.00 C ATOM 1192 C LYS A 81 -22.027 -18.421 -12.583 1.00 0.00 C ATOM 1193 O LYS A 81 -22.942 -18.567 -13.387 1.00 0.00 O ATOM 1194 CB LYS A 81 -20.024 -19.622 -13.520 1.00 0.00 C ATOM 1195 CG LYS A 81 -18.526 -19.574 -13.770 1.00 0.00 C ATOM 1196 CD LYS A 81 -18.093 -20.515 -14.878 1.00 0.00 C ATOM 1197 CE LYS A 81 -18.469 -21.956 -14.579 1.00 0.00 C ATOM 1198 NZ LYS A 81 -17.835 -22.902 -15.532 1.00 0.00 N ATOM 0 H LYS A 81 -18.935 -18.307 -11.762 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.591 -17.586 -13.905 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -20.240 -20.378 -12.765 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.532 -19.930 -14.434 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -18.236 -18.555 -14.028 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -17.999 -19.832 -12.851 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -18.554 -20.207 -15.816 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.014 -20.443 -15.014 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -18.166 -22.207 -13.562 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -19.552 -22.066 -14.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.116 -23.875 -15.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.144 -22.679 -16.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.800 -22.816 -15.470 1.00 0.00 H new ATOM 1212 N ASP A 82 -22.213 -18.371 -11.272 1.00 0.00 N ATOM 1213 CA ASP A 82 -23.542 -18.360 -10.667 1.00 0.00 C ATOM 1214 C ASP A 82 -24.291 -17.081 -11.056 1.00 0.00 C ATOM 1215 O ASP A 82 -25.517 -17.069 -11.178 1.00 0.00 O ATOM 1216 CB ASP A 82 -23.399 -18.448 -9.144 1.00 0.00 C ATOM 1217 CG ASP A 82 -24.726 -18.482 -8.413 1.00 0.00 C ATOM 1218 OD1 ASP A 82 -25.261 -19.590 -8.200 1.00 0.00 O ATOM 1219 OD2 ASP A 82 -25.221 -17.408 -8.020 1.00 0.00 O ATOM 0 H ASP A 82 -21.450 -18.337 -10.596 1.00 0.00 H new ATOM 0 HA ASP A 82 -24.114 -19.215 -11.029 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -22.831 -19.343 -8.892 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -22.821 -17.594 -8.791 1.00 0.00 H new ATOM 1224 N VAL A 83 -23.521 -16.020 -11.275 1.00 0.00 N ATOM 1225 CA VAL A 83 -24.046 -14.697 -11.599 1.00 0.00 C ATOM 1226 C VAL A 83 -24.725 -14.672 -12.973 1.00 0.00 C ATOM 1227 O VAL A 83 -25.831 -14.151 -13.122 1.00 0.00 O ATOM 1228 CB VAL A 83 -22.896 -13.663 -11.551 1.00 0.00 C ATOM 1229 CG1 VAL A 83 -23.304 -12.304 -12.090 1.00 0.00 C ATOM 1230 CG2 VAL A 83 -22.374 -13.522 -10.132 1.00 0.00 C ATOM 0 H VAL A 83 -22.502 -16.055 -11.232 1.00 0.00 H new ATOM 0 HA VAL A 83 -24.805 -14.442 -10.859 1.00 0.00 H new ATOM 0 HB VAL A 83 -22.106 -14.041 -12.199 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -22.457 -11.620 -12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -23.618 -12.404 -13.129 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -24.130 -11.911 -11.497 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -21.565 -12.791 -10.113 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -23.180 -13.188 -9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -22.001 -14.485 -9.784 1.00 0.00 H new ATOM 1240 N PHE A 84 -24.073 -15.263 -13.966 1.00 0.00 N ATOM 1241 CA PHE A 84 -24.553 -15.221 -15.344 1.00 0.00 C ATOM 1242 C PHE A 84 -25.523 -16.358 -15.650 1.00 0.00 C ATOM 1243 O PHE A 84 -25.464 -16.967 -16.719 1.00 0.00 O ATOM 1244 CB PHE A 84 -23.380 -15.249 -16.316 1.00 0.00 C ATOM 1245 CG PHE A 84 -22.440 -14.098 -16.145 1.00 0.00 C ATOM 1246 CD1 PHE A 84 -22.866 -12.802 -16.381 1.00 0.00 C ATOM 1247 CD2 PHE A 84 -21.134 -14.311 -15.743 1.00 0.00 C ATOM 1248 CE1 PHE A 84 -22.004 -11.739 -16.220 1.00 0.00 C ATOM 1249 CE2 PHE A 84 -20.268 -13.254 -15.582 1.00 0.00 C ATOM 1250 CZ PHE A 84 -20.701 -11.964 -15.822 1.00 0.00 C ATOM 0 H PHE A 84 -23.203 -15.781 -13.842 1.00 0.00 H new ATOM 0 HA PHE A 84 -25.099 -14.286 -15.468 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -22.830 -16.181 -16.183 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -23.763 -15.247 -17.336 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -23.884 -12.622 -16.694 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -20.790 -15.317 -15.554 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -22.347 -10.732 -16.405 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -19.250 -13.433 -15.268 1.00 0.00 H new ATOM 0 HZ PHE A 84 -20.022 -11.133 -15.699 1.00 0.00 H new ATOM 1260 N MET A 85 -26.400 -16.639 -14.698 1.00 0.00 N ATOM 1261 CA MET A 85 -27.407 -17.692 -14.831 1.00 0.00 C ATOM 1262 C MET A 85 -28.212 -17.587 -16.135 1.00 0.00 C ATOM 1263 O MET A 85 -28.675 -18.597 -16.666 1.00 0.00 O ATOM 1264 CB MET A 85 -28.357 -17.641 -13.639 1.00 0.00 C ATOM 1265 CG MET A 85 -28.921 -16.258 -13.391 1.00 0.00 C ATOM 1266 SD MET A 85 -30.372 -16.272 -12.327 1.00 0.00 S ATOM 1267 CE MET A 85 -31.522 -17.148 -13.381 1.00 0.00 C ATOM 0 H MET A 85 -26.437 -16.144 -13.807 1.00 0.00 H new ATOM 0 HA MET A 85 -26.876 -18.643 -14.858 1.00 0.00 H new ATOM 0 HB2 MET A 85 -29.178 -18.338 -13.806 1.00 0.00 H new ATOM 0 HB3 MET A 85 -27.830 -17.978 -12.746 1.00 0.00 H new ATOM 0 HG2 MET A 85 -28.151 -15.633 -12.938 1.00 0.00 H new ATOM 0 HG3 MET A 85 -29.182 -15.801 -14.346 1.00 0.00 H new ATOM 0 HE1 MET A 85 -32.541 -16.849 -13.135 1.00 0.00 H new ATOM 0 HE2 MET A 85 -31.315 -16.908 -14.424 1.00 0.00 H new ATOM 0 HE3 MET A 85 -31.412 -18.221 -13.227 1.00 0.00 H new ATOM 1277 N GLY A 86 -28.384 -16.372 -16.646 1.00 0.00 N ATOM 1278 CA GLY A 86 -29.168 -16.175 -17.856 1.00 0.00 C ATOM 1279 C GLY A 86 -28.372 -16.353 -19.144 1.00 0.00 C ATOM 1280 O GLY A 86 -28.891 -16.099 -20.233 1.00 0.00 O ATOM 0 H GLY A 86 -27.995 -15.519 -16.245 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -30.001 -16.878 -17.856 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -29.596 -15.173 -17.841 1.00 0.00 H new ATOM 1284 N VAL A 87 -27.121 -16.782 -19.035 1.00 0.00 N ATOM 1285 CA VAL A 87 -26.278 -16.976 -20.212 1.00 0.00 C ATOM 1286 C VAL A 87 -26.333 -18.422 -20.699 1.00 0.00 C ATOM 1287 O VAL A 87 -26.464 -19.341 -19.889 1.00 0.00 O ATOM 1288 CB VAL A 87 -24.815 -16.586 -19.927 1.00 0.00 C ATOM 1289 CG1 VAL A 87 -23.907 -16.923 -21.103 1.00 0.00 C ATOM 1290 CG2 VAL A 87 -24.718 -15.108 -19.585 1.00 0.00 C ATOM 0 H VAL A 87 -26.667 -17.002 -18.148 1.00 0.00 H new ATOM 0 HA VAL A 87 -26.669 -16.324 -20.993 1.00 0.00 H new ATOM 0 HB VAL A 87 -24.476 -17.169 -19.071 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -22.883 -16.634 -20.866 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -23.946 -17.995 -21.297 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -24.242 -16.381 -21.988 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -23.678 -14.848 -19.386 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -25.086 -14.516 -20.423 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -25.320 -14.899 -18.700 1.00 0.00 H new ATOM 1300 N ASP A 88 -26.256 -18.619 -22.015 1.00 0.00 N ATOM 1301 CA ASP A 88 -26.231 -19.961 -22.591 1.00 0.00 C ATOM 1302 C ASP A 88 -25.091 -20.776 -21.997 1.00 0.00 C ATOM 1303 O ASP A 88 -25.310 -21.656 -21.159 1.00 0.00 O ATOM 1304 CB ASP A 88 -26.096 -19.896 -24.116 1.00 0.00 C ATOM 1305 CG ASP A 88 -26.069 -21.275 -24.756 1.00 0.00 C ATOM 1306 OD1 ASP A 88 -27.149 -21.875 -24.938 1.00 0.00 O ATOM 1307 OD2 ASP A 88 -24.967 -21.768 -25.072 1.00 0.00 O ATOM 0 H ASP A 88 -26.210 -17.866 -22.701 1.00 0.00 H new ATOM 0 HA ASP A 88 -27.174 -20.451 -22.349 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -26.928 -19.324 -24.527 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -25.182 -19.361 -24.374 1.00 0.00 H new ATOM 1312 N GLU A 89 -23.881 -20.464 -22.420 1.00 0.00 N ATOM 1313 CA GLU A 89 -22.693 -21.096 -21.893 1.00 0.00 C ATOM 1314 C GLU A 89 -21.571 -20.091 -21.768 1.00 0.00 C ATOM 1315 O GLU A 89 -21.120 -19.521 -22.761 1.00 0.00 O ATOM 1316 CB GLU A 89 -22.249 -22.240 -22.770 1.00 0.00 C ATOM 1317 CG GLU A 89 -22.971 -23.530 -22.468 1.00 0.00 C ATOM 1318 CD GLU A 89 -22.365 -24.713 -23.186 1.00 0.00 C ATOM 1319 OE1 GLU A 89 -21.357 -25.260 -22.689 1.00 0.00 O ATOM 1320 OE2 GLU A 89 -22.888 -25.105 -24.252 1.00 0.00 O ATOM 0 H GLU A 89 -23.697 -19.765 -23.139 1.00 0.00 H new ATOM 0 HA GLU A 89 -22.938 -21.489 -20.906 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -22.413 -21.974 -23.814 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -21.177 -22.392 -22.644 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -22.950 -23.711 -21.393 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -24.018 -23.432 -22.755 1.00 0.00 H new ATOM 1327 N LEU A 90 -21.142 -19.868 -20.544 1.00 0.00 N ATOM 1328 CA LEU A 90 -20.026 -18.984 -20.274 1.00 0.00 C ATOM 1329 C LEU A 90 -18.760 -19.515 -20.924 1.00 0.00 C ATOM 1330 O LEU A 90 -18.175 -20.504 -20.473 1.00 0.00 O ATOM 1331 CB LEU A 90 -19.829 -18.826 -18.775 1.00 0.00 C ATOM 1332 CG LEU A 90 -20.969 -18.106 -18.059 1.00 0.00 C ATOM 1333 CD1 LEU A 90 -20.738 -18.113 -16.562 1.00 0.00 C ATOM 1334 CD2 LEU A 90 -21.101 -16.680 -18.571 1.00 0.00 C ATOM 0 H LEU A 90 -21.553 -20.291 -19.712 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.247 -18.005 -20.699 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -19.705 -19.814 -18.332 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.903 -18.279 -18.599 1.00 0.00 H new ATOM 0 HG LEU A 90 -21.899 -18.634 -18.268 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -21.559 -17.596 -16.065 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -20.689 -19.142 -16.206 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -19.800 -17.606 -16.336 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.918 -16.181 -18.050 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.171 -16.141 -18.389 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.308 -16.695 -19.641 1.00 0.00 H new ATOM 1346 N GLN A 91 -18.367 -18.860 -21.997 1.00 0.00 N ATOM 1347 CA GLN A 91 -17.223 -19.272 -22.785 1.00 0.00 C ATOM 1348 C GLN A 91 -16.298 -18.083 -22.979 1.00 0.00 C ATOM 1349 O GLN A 91 -16.695 -16.940 -22.739 1.00 0.00 O ATOM 1350 CB GLN A 91 -17.707 -19.776 -24.141 1.00 0.00 C ATOM 1351 CG GLN A 91 -16.757 -20.739 -24.824 1.00 0.00 C ATOM 1352 CD GLN A 91 -17.331 -21.306 -26.109 1.00 0.00 C ATOM 1353 OE1 GLN A 91 -18.647 -21.445 -26.160 1.00 0.00 O flip ATOM 1354 NE2 GLN A 91 -16.598 -21.617 -27.047 1.00 0.00 N flip ATOM 0 H GLN A 91 -18.834 -18.024 -22.349 1.00 0.00 H new ATOM 0 HA GLN A 91 -16.684 -20.069 -22.273 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -18.671 -20.267 -24.010 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -17.871 -18.920 -24.796 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -15.820 -20.227 -25.043 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -16.521 -21.557 -24.143 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -15.589 -21.494 -26.968 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -17.000 -21.998 -27.904 1.00 0.00 H new ATOM 1363 N VAL A 92 -15.084 -18.343 -23.428 1.00 0.00 N ATOM 1364 CA VAL A 92 -14.126 -17.285 -23.673 1.00 0.00 C ATOM 1365 C VAL A 92 -14.442 -16.619 -25.005 1.00 0.00 C ATOM 1366 O VAL A 92 -14.840 -17.286 -25.957 1.00 0.00 O ATOM 1367 CB VAL A 92 -12.681 -17.820 -23.691 1.00 0.00 C ATOM 1368 CG1 VAL A 92 -11.690 -16.683 -23.853 1.00 0.00 C ATOM 1369 CG2 VAL A 92 -12.387 -18.611 -22.425 1.00 0.00 C ATOM 0 H VAL A 92 -14.739 -19.281 -23.630 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.204 -16.561 -22.862 1.00 0.00 H new ATOM 0 HB VAL A 92 -12.575 -18.489 -24.545 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.676 -17.083 -23.863 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.884 -16.162 -24.791 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.797 -15.986 -23.022 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.362 -18.980 -22.457 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -12.514 -17.966 -21.555 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.074 -19.454 -22.355 1.00 0.00 H new ATOM 1379 N GLY A 93 -14.266 -15.310 -25.066 1.00 0.00 N ATOM 1380 CA GLY A 93 -14.578 -14.588 -26.278 1.00 0.00 C ATOM 1381 C GLY A 93 -16.007 -14.087 -26.312 1.00 0.00 C ATOM 1382 O GLY A 93 -16.426 -13.474 -27.291 1.00 0.00 O ATOM 0 H GLY A 93 -13.914 -14.736 -24.300 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.899 -13.741 -26.376 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.405 -15.237 -27.137 1.00 0.00 H new ATOM 1386 N MET A 94 -16.763 -14.338 -25.248 1.00 0.00 N ATOM 1387 CA MET A 94 -18.171 -13.972 -25.238 1.00 0.00 C ATOM 1388 C MET A 94 -18.337 -12.557 -24.713 1.00 0.00 C ATOM 1389 O MET A 94 -17.732 -12.177 -23.708 1.00 0.00 O ATOM 1390 CB MET A 94 -18.979 -14.958 -24.391 1.00 0.00 C ATOM 1391 CG MET A 94 -19.105 -16.335 -25.022 1.00 0.00 C ATOM 1392 SD MET A 94 -20.766 -16.677 -25.635 1.00 0.00 S ATOM 1393 CE MET A 94 -21.673 -16.797 -24.095 1.00 0.00 C ATOM 0 H MET A 94 -16.429 -14.786 -24.395 1.00 0.00 H new ATOM 0 HA MET A 94 -18.549 -14.013 -26.259 1.00 0.00 H new ATOM 0 HB2 MET A 94 -18.508 -15.057 -23.413 1.00 0.00 H new ATOM 0 HB3 MET A 94 -19.976 -14.550 -24.225 1.00 0.00 H new ATOM 0 HG2 MET A 94 -18.395 -16.418 -25.845 1.00 0.00 H new ATOM 0 HG3 MET A 94 -18.831 -17.092 -24.287 1.00 0.00 H new ATOM 0 HE1 MET A 94 -22.407 -17.600 -24.166 1.00 0.00 H new ATOM 0 HE2 MET A 94 -20.981 -17.010 -23.281 1.00 0.00 H new ATOM 0 HE3 MET A 94 -22.185 -15.855 -23.900 1.00 0.00 H new ATOM 1403 N ARG A 95 -19.162 -11.789 -25.401 1.00 0.00 N ATOM 1404 CA ARG A 95 -19.361 -10.390 -25.077 1.00 0.00 C ATOM 1405 C ARG A 95 -20.784 -10.111 -24.623 1.00 0.00 C ATOM 1406 O ARG A 95 -21.750 -10.586 -25.225 1.00 0.00 O ATOM 1407 CB ARG A 95 -19.020 -9.523 -26.279 1.00 0.00 C ATOM 1408 CG ARG A 95 -17.536 -9.266 -26.428 1.00 0.00 C ATOM 1409 CD ARG A 95 -17.258 -8.119 -27.380 1.00 0.00 C ATOM 1410 NE ARG A 95 -15.824 -7.858 -27.504 1.00 0.00 N ATOM 1411 CZ ARG A 95 -15.293 -6.649 -27.672 1.00 0.00 C ATOM 1412 NH1 ARG A 95 -16.069 -5.578 -27.748 1.00 0.00 N ATOM 1413 NH2 ARG A 95 -13.977 -6.510 -27.758 1.00 0.00 N ATOM 0 H ARG A 95 -19.710 -12.116 -26.196 1.00 0.00 H new ATOM 0 HA ARG A 95 -18.695 -10.145 -24.249 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -19.391 -10.005 -27.183 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -19.540 -8.569 -26.190 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.106 -9.041 -25.452 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.045 -10.168 -26.792 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -17.672 -8.351 -28.361 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -17.763 -7.220 -27.025 1.00 0.00 H new ATOM 0 HE ARG A 95 -15.189 -8.655 -27.459 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -17.082 -5.676 -27.678 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.654 -4.655 -27.877 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.372 -7.329 -27.695 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.569 -5.584 -27.887 1.00 0.00 H new ATOM 1427 N PHE A 96 -20.893 -9.334 -23.556 1.00 0.00 N ATOM 1428 CA PHE A 96 -22.178 -9.001 -22.961 1.00 0.00 C ATOM 1429 C PHE A 96 -22.020 -7.825 -22.002 1.00 0.00 C ATOM 1430 O PHE A 96 -20.903 -7.390 -21.721 1.00 0.00 O ATOM 1431 CB PHE A 96 -22.782 -10.220 -22.242 1.00 0.00 C ATOM 1432 CG PHE A 96 -21.838 -10.939 -21.314 1.00 0.00 C ATOM 1433 CD1 PHE A 96 -21.556 -10.432 -20.057 1.00 0.00 C ATOM 1434 CD2 PHE A 96 -21.238 -12.132 -21.699 1.00 0.00 C ATOM 1435 CE1 PHE A 96 -20.696 -11.094 -19.205 1.00 0.00 C ATOM 1436 CE2 PHE A 96 -20.381 -12.797 -20.849 1.00 0.00 C ATOM 1437 CZ PHE A 96 -20.108 -12.277 -19.601 1.00 0.00 C ATOM 0 H PHE A 96 -20.094 -8.917 -23.079 1.00 0.00 H new ATOM 0 HA PHE A 96 -22.866 -8.711 -23.756 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -23.651 -9.893 -21.671 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -23.140 -10.926 -22.992 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -22.015 -9.507 -19.739 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -21.446 -12.543 -22.676 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -20.483 -10.686 -18.228 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -19.923 -13.725 -21.160 1.00 0.00 H new ATOM 0 HZ PHE A 96 -19.435 -12.796 -18.935 1.00 0.00 H new ATOM 1447 N LEU A 97 -23.136 -7.301 -21.523 1.00 0.00 N ATOM 1448 CA LEU A 97 -23.120 -6.300 -20.470 1.00 0.00 C ATOM 1449 C LEU A 97 -23.379 -6.977 -19.135 1.00 0.00 C ATOM 1450 O LEU A 97 -24.067 -8.001 -19.074 1.00 0.00 O ATOM 1451 CB LEU A 97 -24.163 -5.201 -20.725 1.00 0.00 C ATOM 1452 CG LEU A 97 -24.282 -4.143 -19.645 1.00 0.00 C ATOM 1453 CD1 LEU A 97 -22.973 -3.408 -19.480 1.00 0.00 C ATOM 1454 CD2 LEU A 97 -25.390 -3.161 -19.975 1.00 0.00 C ATOM 0 H LEU A 97 -24.069 -7.554 -21.849 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.140 -5.822 -20.456 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -23.921 -4.707 -21.666 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -25.137 -5.673 -20.854 1.00 0.00 H new ATOM 0 HG LEU A 97 -24.527 -4.642 -18.707 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -23.076 -2.652 -18.701 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.192 -4.115 -19.199 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -22.705 -2.926 -20.420 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -25.458 -2.411 -19.187 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -25.172 -2.672 -20.924 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -26.338 -3.694 -20.051 1.00 0.00 H new ATOM 1466 N ALA A 98 -22.842 -6.405 -18.075 1.00 0.00 N ATOM 1467 CA ALA A 98 -22.975 -7.011 -16.764 1.00 0.00 C ATOM 1468 C ALA A 98 -23.007 -5.982 -15.667 1.00 0.00 C ATOM 1469 O ALA A 98 -21.971 -5.522 -15.194 1.00 0.00 O ATOM 1470 CB ALA A 98 -21.834 -7.967 -16.512 1.00 0.00 C ATOM 0 H ALA A 98 -22.315 -5.532 -18.094 1.00 0.00 H new ATOM 0 HA ALA A 98 -23.923 -7.549 -16.755 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -21.946 -8.415 -15.525 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -21.842 -8.751 -17.269 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -20.889 -7.426 -16.560 1.00 0.00 H new ATOM 1476 N GLU A 99 -24.203 -5.552 -15.336 1.00 0.00 N ATOM 1477 CA GLU A 99 -24.436 -4.867 -14.078 1.00 0.00 C ATOM 1478 C GLU A 99 -23.851 -5.600 -12.893 1.00 0.00 C ATOM 1479 O GLU A 99 -24.297 -6.679 -12.499 1.00 0.00 O ATOM 1480 CB GLU A 99 -25.918 -4.645 -13.862 1.00 0.00 C ATOM 1481 CG GLU A 99 -26.643 -4.189 -15.114 1.00 0.00 C ATOM 1482 CD GLU A 99 -28.096 -3.862 -14.861 1.00 0.00 C ATOM 1483 OE1 GLU A 99 -28.378 -2.793 -14.280 1.00 0.00 O ATOM 1484 OE2 GLU A 99 -28.965 -4.672 -15.244 1.00 0.00 O ATOM 0 H GLU A 99 -25.033 -5.663 -15.919 1.00 0.00 H new ATOM 0 HA GLU A 99 -23.925 -3.907 -14.149 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -26.369 -5.571 -13.506 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -26.057 -3.900 -13.078 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -26.142 -3.309 -15.519 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -26.577 -4.970 -15.872 1.00 0.00 H new ATOM 1491 N THR A 100 -22.840 -4.981 -12.353 1.00 0.00 N ATOM 1492 CA THR A 100 -22.151 -5.444 -11.177 1.00 0.00 C ATOM 1493 C THR A 100 -22.401 -4.459 -10.044 1.00 0.00 C ATOM 1494 O THR A 100 -23.229 -3.556 -10.189 1.00 0.00 O ATOM 1495 CB THR A 100 -20.640 -5.559 -11.450 1.00 0.00 C ATOM 1496 OG1 THR A 100 -20.092 -4.263 -11.718 1.00 0.00 O ATOM 1497 CG2 THR A 100 -20.383 -6.466 -12.642 1.00 0.00 C ATOM 0 H THR A 100 -22.459 -4.113 -12.729 1.00 0.00 H new ATOM 0 HA THR A 100 -22.524 -6.430 -10.901 1.00 0.00 H new ATOM 0 HB THR A 100 -20.162 -5.984 -10.567 1.00 0.00 H new ATOM 0 HG1 THR A 100 -20.649 -3.803 -12.379 1.00 0.00 H new ATOM 0 HG21 THR A 100 -19.310 -6.536 -12.821 1.00 0.00 H new ATOM 0 HG22 THR A 100 -20.782 -7.459 -12.436 1.00 0.00 H new ATOM 0 HG23 THR A 100 -20.872 -6.054 -13.525 1.00 0.00 H new ATOM 1505 N ASP A 101 -21.723 -4.641 -8.921 1.00 0.00 N ATOM 1506 CA ASP A 101 -21.834 -3.710 -7.796 1.00 0.00 C ATOM 1507 C ASP A 101 -21.622 -2.269 -8.255 1.00 0.00 C ATOM 1508 O ASP A 101 -22.256 -1.346 -7.752 1.00 0.00 O ATOM 1509 CB ASP A 101 -20.800 -4.044 -6.724 1.00 0.00 C ATOM 1510 CG ASP A 101 -20.996 -5.423 -6.128 1.00 0.00 C ATOM 1511 OD1 ASP A 101 -20.493 -6.405 -6.712 1.00 0.00 O ATOM 1512 OD2 ASP A 101 -21.652 -5.538 -5.071 1.00 0.00 O ATOM 0 H ASP A 101 -21.089 -5.423 -8.759 1.00 0.00 H new ATOM 0 HA ASP A 101 -22.838 -3.810 -7.384 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.801 -3.979 -7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -20.853 -3.299 -5.930 1.00 0.00 H new ATOM 1517 N GLN A 102 -20.736 -2.092 -9.225 1.00 0.00 N ATOM 1518 CA GLN A 102 -20.423 -0.771 -9.757 1.00 0.00 C ATOM 1519 C GLN A 102 -21.179 -0.481 -11.056 1.00 0.00 C ATOM 1520 O GLN A 102 -20.711 0.277 -11.906 1.00 0.00 O ATOM 1521 CB GLN A 102 -18.919 -0.654 -9.972 1.00 0.00 C ATOM 1522 CG GLN A 102 -18.318 -1.838 -10.707 1.00 0.00 C ATOM 1523 CD GLN A 102 -16.828 -1.941 -10.507 1.00 0.00 C ATOM 1524 OE1 GLN A 102 -16.038 -1.368 -11.257 1.00 0.00 O ATOM 1525 NE2 GLN A 102 -16.439 -2.679 -9.488 1.00 0.00 N ATOM 0 H GLN A 102 -20.217 -2.853 -9.663 1.00 0.00 H new ATOM 0 HA GLN A 102 -20.747 -0.027 -9.030 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -18.710 0.256 -10.534 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -18.429 -0.551 -9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -18.793 -2.756 -10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -18.534 -1.749 -11.772 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.132 -3.134 -8.894 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -15.445 -2.795 -9.293 1.00 0.00 H new ATOM 1534 N GLY A 103 -22.343 -1.091 -11.203 1.00 0.00 N ATOM 1535 CA GLY A 103 -23.194 -0.830 -12.353 1.00 0.00 C ATOM 1536 C GLY A 103 -22.873 -1.731 -13.526 1.00 0.00 C ATOM 1537 O GLY A 103 -22.012 -2.608 -13.420 1.00 0.00 O ATOM 0 H GLY A 103 -22.721 -1.770 -10.542 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -24.237 -0.967 -12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -23.081 0.211 -12.656 1.00 0.00 H new ATOM 1541 N PRO A 104 -23.556 -1.544 -14.663 1.00 0.00 N ATOM 1542 CA PRO A 104 -23.334 -2.359 -15.849 1.00 0.00 C ATOM 1543 C PRO A 104 -21.999 -2.088 -16.490 1.00 0.00 C ATOM 1544 O PRO A 104 -21.674 -0.957 -16.859 1.00 0.00 O ATOM 1545 CB PRO A 104 -24.460 -1.980 -16.794 1.00 0.00 C ATOM 1546 CG PRO A 104 -24.939 -0.644 -16.332 1.00 0.00 C ATOM 1547 CD PRO A 104 -24.601 -0.529 -14.870 1.00 0.00 C ATOM 0 HA PRO A 104 -23.326 -3.420 -15.598 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -24.108 -1.935 -17.825 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -25.263 -2.717 -16.763 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -24.461 0.153 -16.901 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -26.013 -0.546 -16.487 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -24.242 0.470 -14.621 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -25.472 -0.720 -14.243 1.00 0.00 H new ATOM 1555 N VAL A 105 -21.224 -3.135 -16.593 1.00 0.00 N ATOM 1556 CA VAL A 105 -19.904 -3.058 -17.179 1.00 0.00 C ATOM 1557 C VAL A 105 -19.871 -3.832 -18.481 1.00 0.00 C ATOM 1558 O VAL A 105 -20.108 -5.038 -18.488 1.00 0.00 O ATOM 1559 CB VAL A 105 -18.841 -3.645 -16.228 1.00 0.00 C ATOM 1560 CG1 VAL A 105 -17.436 -3.391 -16.758 1.00 0.00 C ATOM 1561 CG2 VAL A 105 -18.996 -3.084 -14.826 1.00 0.00 C ATOM 0 H VAL A 105 -21.486 -4.068 -16.274 1.00 0.00 H new ATOM 0 HA VAL A 105 -19.680 -2.007 -17.360 1.00 0.00 H new ATOM 0 HB VAL A 105 -18.995 -4.723 -16.180 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -16.705 -3.815 -16.069 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -17.326 -3.859 -17.736 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -17.270 -2.318 -16.848 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -18.234 -3.514 -14.176 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -18.880 -2.000 -14.853 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -19.985 -3.334 -14.441 1.00 0.00 H new ATOM 1571 N PRO A 106 -19.642 -3.148 -19.606 1.00 0.00 N ATOM 1572 CA PRO A 106 -19.421 -3.815 -20.886 1.00 0.00 C ATOM 1573 C PRO A 106 -18.177 -4.687 -20.810 1.00 0.00 C ATOM 1574 O PRO A 106 -17.080 -4.196 -20.537 1.00 0.00 O ATOM 1575 CB PRO A 106 -19.236 -2.656 -21.873 1.00 0.00 C ATOM 1576 CG PRO A 106 -19.861 -1.484 -21.195 1.00 0.00 C ATOM 1577 CD PRO A 106 -19.594 -1.685 -19.733 1.00 0.00 C ATOM 0 HA PRO A 106 -20.236 -4.477 -21.179 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.181 -2.477 -22.082 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -19.719 -2.866 -22.827 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -19.429 -0.548 -21.549 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -20.931 -1.437 -21.397 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -18.625 -1.282 -19.437 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -20.345 -1.198 -19.111 1.00 0.00 H new ATOM 1585 N VAL A 107 -18.351 -5.974 -21.050 1.00 0.00 N ATOM 1586 CA VAL A 107 -17.298 -6.937 -20.773 1.00 0.00 C ATOM 1587 C VAL A 107 -17.232 -8.040 -21.811 1.00 0.00 C ATOM 1588 O VAL A 107 -18.215 -8.357 -22.488 1.00 0.00 O ATOM 1589 CB VAL A 107 -17.445 -7.584 -19.375 1.00 0.00 C ATOM 1590 CG1 VAL A 107 -17.093 -6.598 -18.273 1.00 0.00 C ATOM 1591 CG2 VAL A 107 -18.851 -8.124 -19.175 1.00 0.00 C ATOM 0 H VAL A 107 -19.206 -6.376 -21.434 1.00 0.00 H new ATOM 0 HA VAL A 107 -16.373 -6.361 -20.807 1.00 0.00 H new ATOM 0 HB VAL A 107 -16.744 -8.417 -19.320 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -17.206 -7.081 -17.303 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -16.062 -6.268 -18.396 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -17.759 -5.737 -18.329 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -18.931 -8.574 -18.185 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -19.570 -7.309 -19.262 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -19.063 -8.877 -19.934 1.00 0.00 H new ATOM 1601 N GLU A 108 -16.047 -8.602 -21.938 1.00 0.00 N ATOM 1602 CA GLU A 108 -15.824 -9.775 -22.749 1.00 0.00 C ATOM 1603 C GLU A 108 -15.057 -10.794 -21.935 1.00 0.00 C ATOM 1604 O GLU A 108 -14.027 -10.467 -21.339 1.00 0.00 O ATOM 1605 CB GLU A 108 -15.030 -9.425 -24.007 1.00 0.00 C ATOM 1606 CG GLU A 108 -14.727 -10.625 -24.893 1.00 0.00 C ATOM 1607 CD GLU A 108 -13.712 -10.307 -25.966 1.00 0.00 C ATOM 1608 OE1 GLU A 108 -14.109 -9.838 -27.049 1.00 0.00 O ATOM 1609 OE2 GLU A 108 -12.502 -10.510 -25.726 1.00 0.00 O ATOM 0 H GLU A 108 -15.207 -8.253 -21.477 1.00 0.00 H new ATOM 0 HA GLU A 108 -16.788 -10.182 -23.055 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -15.589 -8.689 -24.586 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -14.091 -8.954 -23.714 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -14.356 -11.444 -24.277 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -15.649 -10.970 -25.360 1.00 0.00 H new ATOM 1616 N ILE A 109 -15.570 -12.010 -21.877 1.00 0.00 N ATOM 1617 CA ILE A 109 -14.887 -13.080 -21.178 1.00 0.00 C ATOM 1618 C ILE A 109 -13.584 -13.413 -21.891 1.00 0.00 C ATOM 1619 O ILE A 109 -13.571 -13.628 -23.102 1.00 0.00 O ATOM 1620 CB ILE A 109 -15.768 -14.346 -21.079 1.00 0.00 C ATOM 1621 CG1 ILE A 109 -17.047 -14.046 -20.289 1.00 0.00 C ATOM 1622 CG2 ILE A 109 -14.990 -15.480 -20.435 1.00 0.00 C ATOM 1623 CD1 ILE A 109 -17.983 -15.230 -20.124 1.00 0.00 C ATOM 0 H ILE A 109 -16.456 -12.279 -22.305 1.00 0.00 H new ATOM 0 HA ILE A 109 -14.675 -12.738 -20.165 1.00 0.00 H new ATOM 0 HB ILE A 109 -16.053 -14.654 -22.085 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -16.770 -13.679 -19.301 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -17.586 -13.241 -20.788 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -15.623 -16.365 -20.372 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -14.110 -15.705 -21.037 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -14.678 -15.184 -19.433 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -18.860 -14.924 -19.553 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -18.296 -15.586 -21.106 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -17.467 -16.031 -19.595 1.00 0.00 H new ATOM 1635 N THR A 110 -12.494 -13.452 -21.150 1.00 0.00 N ATOM 1636 CA THR A 110 -11.197 -13.729 -21.735 1.00 0.00 C ATOM 1637 C THR A 110 -10.648 -15.027 -21.174 1.00 0.00 C ATOM 1638 O THR A 110 -9.553 -15.456 -21.526 1.00 0.00 O ATOM 1639 CB THR A 110 -10.199 -12.582 -21.472 1.00 0.00 C ATOM 1640 OG1 THR A 110 -10.148 -12.282 -20.071 1.00 0.00 O ATOM 1641 CG2 THR A 110 -10.591 -11.334 -22.249 1.00 0.00 C ATOM 0 H THR A 110 -12.481 -13.295 -20.142 1.00 0.00 H new ATOM 0 HA THR A 110 -11.327 -13.819 -22.813 1.00 0.00 H new ATOM 0 HB THR A 110 -9.214 -12.906 -21.808 1.00 0.00 H new ATOM 0 HG1 THR A 110 -9.511 -11.554 -19.915 1.00 0.00 H new ATOM 0 HG21 THR A 110 -9.873 -10.539 -22.047 1.00 0.00 H new ATOM 0 HG22 THR A 110 -10.596 -11.556 -23.316 1.00 0.00 H new ATOM 0 HG23 THR A 110 -11.585 -11.011 -21.941 1.00 0.00 H new ATOM 1649 N ALA A 111 -11.433 -15.649 -20.299 1.00 0.00 N ATOM 1650 CA ALA A 111 -11.071 -16.901 -19.663 1.00 0.00 C ATOM 1651 C ALA A 111 -12.223 -17.390 -18.820 1.00 0.00 C ATOM 1652 O ALA A 111 -13.033 -16.594 -18.346 1.00 0.00 O ATOM 1653 CB ALA A 111 -9.840 -16.722 -18.786 1.00 0.00 C ATOM 0 H ALA A 111 -12.344 -15.291 -20.013 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.844 -17.632 -20.438 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -9.585 -17.673 -18.318 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -9.004 -16.383 -19.397 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.048 -15.982 -18.013 1.00 0.00 H new ATOM 1659 N VAL A 112 -12.302 -18.693 -18.640 1.00 0.00 N ATOM 1660 CA VAL A 112 -13.315 -19.285 -17.796 1.00 0.00 C ATOM 1661 C VAL A 112 -12.693 -20.406 -17.006 1.00 0.00 C ATOM 1662 O VAL A 112 -12.290 -21.424 -17.575 1.00 0.00 O ATOM 1663 CB VAL A 112 -14.501 -19.862 -18.594 1.00 0.00 C ATOM 1664 CG1 VAL A 112 -15.575 -20.393 -17.645 1.00 0.00 C ATOM 1665 CG2 VAL A 112 -15.076 -18.820 -19.538 1.00 0.00 C ATOM 0 H VAL A 112 -11.669 -19.366 -19.072 1.00 0.00 H new ATOM 0 HA VAL A 112 -13.699 -18.494 -17.152 1.00 0.00 H new ATOM 0 HB VAL A 112 -14.137 -20.694 -19.197 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -16.405 -20.797 -18.225 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -15.152 -21.180 -17.020 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -15.935 -19.582 -17.012 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -15.911 -19.251 -20.090 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -15.424 -17.962 -18.964 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -14.305 -18.499 -20.239 1.00 0.00 H new ATOM 1675 N GLU A 113 -12.571 -20.216 -15.713 1.00 0.00 N ATOM 1676 CA GLU A 113 -12.113 -21.275 -14.842 1.00 0.00 C ATOM 1677 C GLU A 113 -13.305 -22.105 -14.398 1.00 0.00 C ATOM 1678 O GLU A 113 -14.404 -21.980 -14.951 1.00 0.00 O ATOM 1679 CB GLU A 113 -11.398 -20.695 -13.621 1.00 0.00 C ATOM 1680 CG GLU A 113 -10.225 -19.803 -13.974 1.00 0.00 C ATOM 1681 CD GLU A 113 -9.480 -19.319 -12.752 1.00 0.00 C ATOM 1682 OE1 GLU A 113 -9.183 -20.147 -11.869 1.00 0.00 O ATOM 1683 OE2 GLU A 113 -9.203 -18.104 -12.662 1.00 0.00 O ATOM 0 H GLU A 113 -12.783 -19.337 -15.240 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.408 -21.904 -15.385 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.113 -20.124 -13.029 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.046 -21.514 -12.993 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.539 -20.349 -14.622 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.583 -18.944 -14.541 1.00 0.00 H new ATOM 1690 N ASP A 114 -13.097 -22.933 -13.395 1.00 0.00 N ATOM 1691 CA ASP A 114 -14.147 -23.806 -12.906 1.00 0.00 C ATOM 1692 C ASP A 114 -15.314 -23.005 -12.338 1.00 0.00 C ATOM 1693 O ASP A 114 -16.457 -23.191 -12.751 1.00 0.00 O ATOM 1694 CB ASP A 114 -13.589 -24.744 -11.834 1.00 0.00 C ATOM 1695 CG ASP A 114 -12.442 -25.588 -12.351 1.00 0.00 C ATOM 1696 OD1 ASP A 114 -11.306 -25.070 -12.432 1.00 0.00 O ATOM 1697 OD2 ASP A 114 -12.679 -26.766 -12.698 1.00 0.00 O ATOM 0 H ASP A 114 -12.209 -23.021 -12.901 1.00 0.00 H new ATOM 0 HA ASP A 114 -14.517 -24.393 -13.747 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -13.250 -24.157 -10.981 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -14.385 -25.397 -11.475 1.00 0.00 H new ATOM 1702 N ASP A 115 -15.029 -22.100 -11.405 1.00 0.00 N ATOM 1703 CA ASP A 115 -16.106 -21.365 -10.742 1.00 0.00 C ATOM 1704 C ASP A 115 -16.348 -19.971 -11.280 1.00 0.00 C ATOM 1705 O ASP A 115 -17.405 -19.394 -11.018 1.00 0.00 O ATOM 1706 CB ASP A 115 -15.841 -21.219 -9.250 1.00 0.00 C ATOM 1707 CG ASP A 115 -15.427 -22.502 -8.562 1.00 0.00 C ATOM 1708 OD1 ASP A 115 -16.312 -23.247 -8.099 1.00 0.00 O ATOM 1709 OD2 ASP A 115 -14.203 -22.754 -8.457 1.00 0.00 O ATOM 0 H ASP A 115 -14.087 -21.861 -11.096 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.990 -21.971 -10.944 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -15.060 -20.473 -9.103 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -16.741 -20.837 -8.769 1.00 0.00 H new ATOM 1714 N HIS A 116 -15.407 -19.390 -11.994 1.00 0.00 N ATOM 1715 CA HIS A 116 -15.589 -18.009 -12.400 1.00 0.00 C ATOM 1716 C HIS A 116 -15.045 -17.759 -13.773 1.00 0.00 C ATOM 1717 O HIS A 116 -14.054 -18.361 -14.187 1.00 0.00 O ATOM 1718 CB HIS A 116 -14.941 -17.041 -11.405 1.00 0.00 C ATOM 1719 CG HIS A 116 -13.468 -17.249 -11.185 1.00 0.00 C ATOM 1720 ND1 HIS A 116 -12.965 -17.894 -10.079 1.00 0.00 N ATOM 1721 CD2 HIS A 116 -12.388 -16.881 -11.925 1.00 0.00 C ATOM 1722 CE1 HIS A 116 -11.649 -17.920 -10.145 1.00 0.00 C ATOM 1723 NE2 HIS A 116 -11.271 -17.315 -11.256 1.00 0.00 N ATOM 0 H HIS A 116 -14.538 -19.830 -12.297 1.00 0.00 H new ATOM 0 HA HIS A 116 -16.664 -17.829 -12.415 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -15.100 -16.022 -11.756 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -15.453 -17.132 -10.447 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -12.406 -16.347 -12.864 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -10.990 -18.362 -9.413 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -10.307 -17.191 -11.566 1.00 0.00 H new ATOM 1732 N VAL A 117 -15.702 -16.867 -14.471 1.00 0.00 N ATOM 1733 CA VAL A 117 -15.226 -16.389 -15.734 1.00 0.00 C ATOM 1734 C VAL A 117 -14.401 -15.145 -15.493 1.00 0.00 C ATOM 1735 O VAL A 117 -14.399 -14.605 -14.385 1.00 0.00 O ATOM 1736 CB VAL A 117 -16.395 -16.090 -16.680 1.00 0.00 C ATOM 1737 CG1 VAL A 117 -17.196 -17.354 -16.907 1.00 0.00 C ATOM 1738 CG2 VAL A 117 -17.288 -15.005 -16.108 1.00 0.00 C ATOM 0 H VAL A 117 -16.586 -16.453 -14.173 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.612 -17.154 -16.209 1.00 0.00 H new ATOM 0 HB VAL A 117 -15.995 -15.735 -17.630 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -18.027 -17.142 -17.579 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -16.555 -18.116 -17.351 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -17.583 -17.715 -15.954 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -18.110 -14.810 -16.797 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -17.688 -15.332 -15.148 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -16.708 -14.093 -15.968 1.00 0.00 H new ATOM 1748 N VAL A 118 -13.690 -14.708 -16.500 1.00 0.00 N ATOM 1749 CA VAL A 118 -12.750 -13.626 -16.340 1.00 0.00 C ATOM 1750 C VAL A 118 -13.005 -12.588 -17.421 1.00 0.00 C ATOM 1751 O VAL A 118 -12.762 -12.839 -18.597 1.00 0.00 O ATOM 1752 CB VAL A 118 -11.301 -14.153 -16.423 1.00 0.00 C ATOM 1753 CG1 VAL A 118 -10.336 -13.213 -15.753 1.00 0.00 C ATOM 1754 CG2 VAL A 118 -11.196 -15.523 -15.785 1.00 0.00 C ATOM 0 H VAL A 118 -13.744 -15.087 -17.446 1.00 0.00 H new ATOM 0 HA VAL A 118 -12.883 -13.168 -15.360 1.00 0.00 H new ATOM 0 HB VAL A 118 -11.040 -14.224 -17.479 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.325 -13.614 -15.829 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.378 -12.239 -16.241 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -10.604 -13.104 -14.702 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.168 -15.878 -15.853 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.490 -15.460 -14.737 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.855 -16.218 -16.305 1.00 0.00 H new ATOM 1764 N VAL A 119 -13.538 -11.446 -17.021 1.00 0.00 N ATOM 1765 CA VAL A 119 -13.910 -10.416 -17.994 1.00 0.00 C ATOM 1766 C VAL A 119 -13.098 -9.136 -17.841 1.00 0.00 C ATOM 1767 O VAL A 119 -12.748 -8.718 -16.742 1.00 0.00 O ATOM 1768 CB VAL A 119 -15.421 -10.101 -17.998 1.00 0.00 C ATOM 1769 CG1 VAL A 119 -16.190 -11.265 -18.581 1.00 0.00 C ATOM 1770 CG2 VAL A 119 -15.935 -9.786 -16.613 1.00 0.00 C ATOM 0 H VAL A 119 -13.723 -11.204 -16.047 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.666 -10.850 -18.964 1.00 0.00 H new ATOM 0 HB VAL A 119 -15.571 -9.216 -18.616 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -17.255 -11.034 -18.580 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.858 -11.444 -19.604 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -16.011 -12.157 -17.980 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -17.002 -9.570 -16.661 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.767 -10.642 -15.959 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -15.407 -8.918 -16.218 1.00 0.00 H new ATOM 1780 N ASP A 120 -12.767 -8.555 -18.985 1.00 0.00 N ATOM 1781 CA ASP A 120 -11.918 -7.367 -19.053 1.00 0.00 C ATOM 1782 C ASP A 120 -12.699 -6.063 -18.924 1.00 0.00 C ATOM 1783 O ASP A 120 -13.842 -5.957 -19.371 1.00 0.00 O ATOM 1784 CB ASP A 120 -11.136 -7.370 -20.368 1.00 0.00 C ATOM 1785 CG ASP A 120 -10.478 -6.036 -20.653 1.00 0.00 C ATOM 1786 OD1 ASP A 120 -9.631 -5.600 -19.846 1.00 0.00 O ATOM 1787 OD2 ASP A 120 -10.821 -5.412 -21.676 1.00 0.00 O ATOM 0 H ASP A 120 -13.078 -8.892 -19.896 1.00 0.00 H new ATOM 0 HA ASP A 120 -11.238 -7.414 -18.202 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -10.373 -8.148 -20.332 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -11.809 -7.622 -21.187 1.00 0.00 H new ATOM 1915 N LEU A 130 5.048 2.459 -10.927 1.00 0.00 N ATOM 1916 CA LEU A 130 4.342 2.391 -9.657 1.00 0.00 C ATOM 1917 C LEU A 130 5.264 2.321 -8.454 1.00 0.00 C ATOM 1918 O LEU A 130 6.394 1.832 -8.531 1.00 0.00 O ATOM 1919 CB LEU A 130 3.407 1.189 -9.662 1.00 0.00 C ATOM 1920 CG LEU A 130 2.324 1.227 -10.741 1.00 0.00 C ATOM 1921 CD1 LEU A 130 1.604 -0.106 -10.823 1.00 0.00 C ATOM 1922 CD2 LEU A 130 1.335 2.349 -10.460 1.00 0.00 C ATOM 0 HA LEU A 130 3.778 3.319 -9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 130 4.001 0.284 -9.794 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.926 1.115 -8.686 1.00 0.00 H new ATOM 0 HG LEU A 130 2.802 1.418 -11.702 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.837 -0.058 -11.596 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.319 -0.891 -11.069 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.138 -0.327 -9.863 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.570 2.363 -11.237 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.865 2.185 -9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.861 3.304 -10.451 1.00 0.00 H new ATOM 1934 N LYS A 131 4.746 2.816 -7.342 1.00 0.00 N ATOM 1935 CA LYS A 131 5.410 2.750 -6.057 1.00 0.00 C ATOM 1936 C LYS A 131 4.585 1.885 -5.127 1.00 0.00 C ATOM 1937 O LYS A 131 3.364 2.031 -5.053 1.00 0.00 O ATOM 1938 CB LYS A 131 5.560 4.144 -5.456 1.00 0.00 C ATOM 1939 CG LYS A 131 6.610 4.995 -6.138 1.00 0.00 C ATOM 1940 CD LYS A 131 6.169 6.446 -6.237 1.00 0.00 C ATOM 1941 CE LYS A 131 5.777 7.019 -4.884 1.00 0.00 C ATOM 1942 NZ LYS A 131 5.228 8.395 -5.008 1.00 0.00 N ATOM 0 H LYS A 131 3.839 3.281 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 131 6.404 2.323 -6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 131 4.600 4.657 -5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 131 5.813 4.049 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 131 7.546 4.935 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 131 6.806 4.604 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 131 6.977 7.042 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 131 5.324 6.522 -6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 131 5.035 6.372 -4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 131 6.648 7.032 -4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 4.909 8.727 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.967 9.032 -5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.423 8.390 -5.667 1.00 0.00 H new ATOM 1956 N PHE A 132 5.239 0.987 -4.434 1.00 0.00 N ATOM 1957 CA PHE A 132 4.552 0.070 -3.549 1.00 0.00 C ATOM 1958 C PHE A 132 5.062 0.224 -2.128 1.00 0.00 C ATOM 1959 O PHE A 132 6.250 0.449 -1.917 1.00 0.00 O ATOM 1960 CB PHE A 132 4.771 -1.377 -3.999 1.00 0.00 C ATOM 1961 CG PHE A 132 4.527 -1.617 -5.462 1.00 0.00 C ATOM 1962 CD1 PHE A 132 3.241 -1.790 -5.946 1.00 0.00 C ATOM 1963 CD2 PHE A 132 5.589 -1.674 -6.351 1.00 0.00 C ATOM 1964 CE1 PHE A 132 3.020 -2.015 -7.292 1.00 0.00 C ATOM 1965 CE2 PHE A 132 5.374 -1.899 -7.696 1.00 0.00 C ATOM 1966 CZ PHE A 132 4.087 -2.069 -8.167 1.00 0.00 C ATOM 0 H PHE A 132 6.252 0.868 -4.464 1.00 0.00 H new ATOM 0 HA PHE A 132 3.488 0.305 -3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 132 5.794 -1.667 -3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 132 4.113 -2.027 -3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 132 2.403 -1.749 -5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 132 6.597 -1.541 -5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 132 2.013 -2.149 -7.659 1.00 0.00 H new ATOM 0 HE2 PHE A 132 6.210 -1.942 -8.378 1.00 0.00 H new ATOM 0 HZ PHE A 132 3.915 -2.244 -9.219 1.00 0.00 H new ATOM 1976 N ASN A 133 4.169 0.123 -1.158 1.00 0.00 N ATOM 1977 CA ASN A 133 4.571 -0.026 0.233 1.00 0.00 C ATOM 1978 C ASN A 133 4.234 -1.452 0.625 1.00 0.00 C ATOM 1979 O ASN A 133 3.061 -1.784 0.762 1.00 0.00 O ATOM 1980 CB ASN A 133 3.805 0.937 1.160 1.00 0.00 C ATOM 1981 CG ASN A 133 4.135 2.407 0.975 1.00 0.00 C ATOM 1982 OD1 ASN A 133 4.382 2.815 -0.254 1.00 0.00 O flip ATOM 1983 ND2 ASN A 133 4.125 3.179 1.936 1.00 0.00 N flip ATOM 0 H ASN A 133 3.160 0.141 -1.307 1.00 0.00 H new ATOM 0 HA ASN A 133 5.632 0.201 0.335 1.00 0.00 H new ATOM 0 HB2 ASN A 133 2.736 0.798 1.000 1.00 0.00 H new ATOM 0 HB3 ASN A 133 4.011 0.662 2.194 1.00 0.00 H new ATOM 0 HD21 ASN A 133 3.930 2.825 2.872 1.00 0.00 H new ATOM 0 HD22 ASN A 133 4.312 4.172 1.795 1.00 0.00 H new ATOM 1990 N VAL A 134 5.233 -2.309 0.765 1.00 0.00 N ATOM 1991 CA VAL A 134 4.954 -3.723 0.971 1.00 0.00 C ATOM 1992 C VAL A 134 5.088 -4.122 2.433 1.00 0.00 C ATOM 1993 O VAL A 134 6.002 -3.685 3.131 1.00 0.00 O ATOM 1994 CB VAL A 134 5.869 -4.630 0.123 1.00 0.00 C ATOM 1995 CG1 VAL A 134 5.279 -6.024 0.025 1.00 0.00 C ATOM 1996 CG2 VAL A 134 6.098 -4.049 -1.263 1.00 0.00 C ATOM 0 H VAL A 134 6.222 -2.060 0.741 1.00 0.00 H new ATOM 0 HA VAL A 134 3.922 -3.866 0.652 1.00 0.00 H new ATOM 0 HB VAL A 134 6.837 -4.690 0.620 1.00 0.00 H new ATOM 0 HG11 VAL A 134 5.934 -6.655 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 134 5.182 -6.449 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 134 4.296 -5.971 -0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 134 6.747 -4.714 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 134 5.142 -3.946 -1.777 1.00 0.00 H new ATOM 0 HG23 VAL A 134 6.569 -3.070 -1.174 1.00 0.00 H new ATOM 2006 N GLU A 135 4.172 -4.975 2.864 1.00 0.00 N ATOM 2007 CA GLU A 135 4.132 -5.476 4.226 1.00 0.00 C ATOM 2008 C GLU A 135 3.817 -6.967 4.223 1.00 0.00 C ATOM 2009 O GLU A 135 2.668 -7.363 4.071 1.00 0.00 O ATOM 2010 CB GLU A 135 3.063 -4.732 5.029 1.00 0.00 C ATOM 2011 CG GLU A 135 3.411 -3.285 5.309 1.00 0.00 C ATOM 2012 CD GLU A 135 2.487 -2.643 6.317 1.00 0.00 C ATOM 2013 OE1 GLU A 135 1.895 -3.373 7.139 1.00 0.00 O ATOM 2014 OE2 GLU A 135 2.366 -1.399 6.304 1.00 0.00 O ATOM 0 H GLU A 135 3.428 -5.342 2.270 1.00 0.00 H new ATOM 0 HA GLU A 135 5.106 -5.313 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.119 -4.771 4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 135 2.907 -5.249 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.436 -3.227 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.373 -2.720 4.377 1.00 0.00 H new ATOM 2021 N VAL A 136 4.830 -7.795 4.385 1.00 0.00 N ATOM 2022 CA VAL A 136 4.633 -9.240 4.347 1.00 0.00 C ATOM 2023 C VAL A 136 4.100 -9.754 5.685 1.00 0.00 C ATOM 2024 O VAL A 136 4.797 -9.734 6.696 1.00 0.00 O ATOM 2025 CB VAL A 136 5.936 -9.981 3.962 1.00 0.00 C ATOM 2026 CG1 VAL A 136 7.101 -9.569 4.846 1.00 0.00 C ATOM 2027 CG2 VAL A 136 5.734 -11.486 4.002 1.00 0.00 C ATOM 0 H VAL A 136 5.793 -7.500 4.543 1.00 0.00 H new ATOM 0 HA VAL A 136 3.891 -9.447 3.576 1.00 0.00 H new ATOM 0 HB VAL A 136 6.184 -9.694 2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.997 -10.111 4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.274 -8.498 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.869 -9.802 5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.663 -11.985 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.443 -11.787 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 136 4.950 -11.767 3.299 1.00 0.00 H new ATOM 2037 N VAL A 137 2.845 -10.190 5.695 1.00 0.00 N ATOM 2038 CA VAL A 137 2.228 -10.666 6.917 1.00 0.00 C ATOM 2039 C VAL A 137 2.719 -12.051 7.285 1.00 0.00 C ATOM 2040 O VAL A 137 2.965 -12.347 8.455 1.00 0.00 O ATOM 2041 CB VAL A 137 0.690 -10.690 6.829 1.00 0.00 C ATOM 2042 CG1 VAL A 137 0.167 -9.424 6.169 1.00 0.00 C ATOM 2043 CG2 VAL A 137 0.152 -11.916 6.129 1.00 0.00 C ATOM 0 H VAL A 137 2.242 -10.222 4.873 1.00 0.00 H new ATOM 0 HA VAL A 137 2.521 -9.957 7.692 1.00 0.00 H new ATOM 0 HB VAL A 137 0.326 -10.735 7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.921 -9.463 6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.472 -8.556 6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.575 -9.344 5.161 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.937 -11.871 6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.540 -11.953 5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.464 -12.810 6.669 1.00 0.00 H new ATOM 2053 N ALA A 138 2.878 -12.884 6.278 1.00 0.00 N ATOM 2054 CA ALA A 138 3.098 -14.298 6.488 1.00 0.00 C ATOM 2055 C ALA A 138 3.671 -14.956 5.237 1.00 0.00 C ATOM 2056 O ALA A 138 3.496 -14.446 4.129 1.00 0.00 O ATOM 2057 CB ALA A 138 1.774 -14.938 6.854 1.00 0.00 C ATOM 0 H ALA A 138 2.859 -12.602 5.298 1.00 0.00 H new ATOM 0 HA ALA A 138 3.820 -14.436 7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 138 1.919 -16.006 7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 138 1.389 -14.481 7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 138 1.061 -14.788 6.043 1.00 0.00 H new ATOM 2063 N ILE A 139 4.342 -16.083 5.423 1.00 0.00 N ATOM 2064 CA ILE A 139 4.901 -16.850 4.314 1.00 0.00 C ATOM 2065 C ILE A 139 4.627 -18.334 4.535 1.00 0.00 C ATOM 2066 O ILE A 139 4.863 -18.854 5.628 1.00 0.00 O ATOM 2067 CB ILE A 139 6.424 -16.624 4.172 1.00 0.00 C ATOM 2068 CG1 ILE A 139 6.727 -15.140 3.983 1.00 0.00 C ATOM 2069 CG2 ILE A 139 6.983 -17.420 2.997 1.00 0.00 C ATOM 2070 CD1 ILE A 139 8.196 -14.814 4.076 1.00 0.00 C ATOM 0 H ILE A 139 4.515 -16.492 6.341 1.00 0.00 H new ATOM 0 HA ILE A 139 4.424 -16.509 3.395 1.00 0.00 H new ATOM 0 HB ILE A 139 6.903 -16.971 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 139 6.352 -14.821 3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 139 6.187 -14.567 4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 139 8.056 -17.245 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 139 6.799 -18.482 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 139 6.494 -17.102 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 139 8.341 -13.743 3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 139 8.571 -15.103 5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 139 8.739 -15.360 3.305 1.00 0.00 H new ATOM 2082 N ARG A 140 4.131 -19.012 3.512 1.00 0.00 N ATOM 2083 CA ARG A 140 3.732 -20.401 3.650 1.00 0.00 C ATOM 2084 C ARG A 140 3.986 -21.151 2.350 1.00 0.00 C ATOM 2085 O ARG A 140 3.793 -20.613 1.269 1.00 0.00 O ATOM 2086 CB ARG A 140 2.247 -20.465 4.012 1.00 0.00 C ATOM 2087 CG ARG A 140 1.757 -21.845 4.414 1.00 0.00 C ATOM 2088 CD ARG A 140 0.270 -21.816 4.712 1.00 0.00 C ATOM 2089 NE ARG A 140 -0.207 -23.052 5.328 1.00 0.00 N ATOM 2090 CZ ARG A 140 -1.230 -23.109 6.181 1.00 0.00 C ATOM 2091 NH1 ARG A 140 -1.885 -22.006 6.523 1.00 0.00 N ATOM 2092 NH2 ARG A 140 -1.603 -24.269 6.704 1.00 0.00 N ATOM 0 H ARG A 140 3.996 -18.623 2.579 1.00 0.00 H new ATOM 0 HA ARG A 140 4.319 -20.869 4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 140 2.055 -19.772 4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 140 1.663 -20.120 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 140 1.959 -22.556 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 140 2.303 -22.189 5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 140 0.053 -20.978 5.374 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -0.278 -21.641 3.786 1.00 0.00 H new ATOM 0 HE ARG A 140 0.270 -23.922 5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -1.607 -21.106 6.132 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -2.667 -22.059 7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -1.106 -25.124 6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -2.386 -24.306 7.356 1.00 0.00 H new ATOM 2106 N GLU A 141 4.436 -22.383 2.445 1.00 0.00 N ATOM 2107 CA GLU A 141 4.650 -23.180 1.249 1.00 0.00 C ATOM 2108 C GLU A 141 3.367 -23.901 0.877 1.00 0.00 C ATOM 2109 O GLU A 141 2.774 -24.610 1.692 1.00 0.00 O ATOM 2110 CB GLU A 141 5.819 -24.147 1.426 1.00 0.00 C ATOM 2111 CG GLU A 141 5.809 -24.888 2.747 1.00 0.00 C ATOM 2112 CD GLU A 141 7.088 -25.657 2.987 1.00 0.00 C ATOM 2113 OE1 GLU A 141 8.103 -25.027 3.348 1.00 0.00 O ATOM 2114 OE2 GLU A 141 7.089 -26.889 2.811 1.00 0.00 O ATOM 0 H GLU A 141 4.659 -22.853 3.323 1.00 0.00 H new ATOM 0 HA GLU A 141 4.919 -22.517 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 141 5.803 -24.873 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 141 6.753 -23.592 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.659 -24.176 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 141 4.965 -25.577 2.767 1.00 0.00 H new ATOM 2121 N ALA A 142 2.950 -23.688 -0.363 1.00 0.00 N ATOM 2122 CA ALA A 142 1.641 -24.117 -0.834 1.00 0.00 C ATOM 2123 C ALA A 142 1.475 -25.627 -0.815 1.00 0.00 C ATOM 2124 O ALA A 142 2.445 -26.387 -0.755 1.00 0.00 O ATOM 2125 CB ALA A 142 1.388 -23.589 -2.233 1.00 0.00 C ATOM 0 H ALA A 142 3.510 -23.213 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 142 0.907 -23.703 -0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 142 0.406 -23.917 -2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 142 1.423 -22.500 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.153 -23.970 -2.910 1.00 0.00 H new ATOM 2131 N THR A 143 0.224 -26.035 -0.942 1.00 0.00 N ATOM 2132 CA THR A 143 -0.191 -27.420 -0.757 1.00 0.00 C ATOM 2133 C THR A 143 0.102 -28.280 -1.974 1.00 0.00 C ATOM 2134 O THR A 143 -0.434 -29.383 -2.106 1.00 0.00 O ATOM 2135 CB THR A 143 -1.699 -27.473 -0.481 1.00 0.00 C ATOM 2136 OG1 THR A 143 -2.397 -26.826 -1.555 1.00 0.00 O ATOM 2137 CG2 THR A 143 -2.031 -26.774 0.820 1.00 0.00 C ATOM 0 H THR A 143 -0.544 -25.407 -1.180 1.00 0.00 H new ATOM 0 HA THR A 143 0.378 -27.813 0.085 1.00 0.00 H new ATOM 0 HB THR A 143 -2.005 -28.517 -0.405 1.00 0.00 H new ATOM 0 HG1 THR A 143 -2.348 -25.854 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 143 -3.106 -26.824 0.996 1.00 0.00 H new ATOM 0 HG22 THR A 143 -1.506 -27.264 1.640 1.00 0.00 H new ATOM 0 HG23 THR A 143 -1.721 -25.731 0.762 1.00 0.00 H new ATOM 2145 N GLU A 144 0.946 -27.758 -2.856 1.00 0.00 N ATOM 2146 CA GLU A 144 1.266 -28.385 -4.141 1.00 0.00 C ATOM 2147 C GLU A 144 0.079 -28.332 -5.100 1.00 0.00 C ATOM 2148 O GLU A 144 0.262 -28.161 -6.300 1.00 0.00 O ATOM 2149 CB GLU A 144 1.748 -29.824 -3.962 1.00 0.00 C ATOM 2150 CG GLU A 144 2.965 -29.931 -3.062 1.00 0.00 C ATOM 2151 CD GLU A 144 3.502 -31.341 -2.956 1.00 0.00 C ATOM 2152 OE1 GLU A 144 2.984 -32.116 -2.130 1.00 0.00 O ATOM 2153 OE2 GLU A 144 4.458 -31.670 -3.689 1.00 0.00 O ATOM 0 H GLU A 144 1.435 -26.877 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 144 2.082 -27.811 -4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 144 0.939 -30.423 -3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 144 1.986 -30.246 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 144 3.750 -29.277 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 144 2.706 -29.571 -2.066 1.00 0.00 H new ATOM 2160 N GLU A 145 -1.132 -28.464 -4.570 1.00 0.00 N ATOM 2161 CA GLU A 145 -2.335 -28.329 -5.377 1.00 0.00 C ATOM 2162 C GLU A 145 -2.411 -26.926 -5.952 1.00 0.00 C ATOM 2163 O GLU A 145 -2.641 -26.738 -7.145 1.00 0.00 O ATOM 2164 CB GLU A 145 -3.574 -28.611 -4.538 1.00 0.00 C ATOM 2165 CG GLU A 145 -3.663 -30.041 -4.052 1.00 0.00 C ATOM 2166 CD GLU A 145 -4.875 -30.279 -3.176 1.00 0.00 C ATOM 2167 OE1 GLU A 145 -6.005 -30.260 -3.707 1.00 0.00 O ATOM 2168 OE2 GLU A 145 -4.705 -30.481 -1.952 1.00 0.00 O ATOM 0 H GLU A 145 -1.305 -28.664 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 145 -2.294 -29.053 -6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -3.580 -27.942 -3.677 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -4.462 -28.380 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -3.701 -30.712 -4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -2.760 -30.289 -3.494 1.00 0.00 H new ATOM 2175 N GLU A 146 -2.179 -25.949 -5.091 1.00 0.00 N ATOM 2176 CA GLU A 146 -2.168 -24.548 -5.482 1.00 0.00 C ATOM 2177 C GLU A 146 -1.107 -24.307 -6.555 1.00 0.00 C ATOM 2178 O GLU A 146 -1.305 -23.524 -7.483 1.00 0.00 O ATOM 2179 CB GLU A 146 -1.905 -23.692 -4.242 1.00 0.00 C ATOM 2180 CG GLU A 146 -2.957 -23.891 -3.165 1.00 0.00 C ATOM 2181 CD GLU A 146 -2.502 -23.432 -1.802 1.00 0.00 C ATOM 2182 OE1 GLU A 146 -1.714 -24.167 -1.171 1.00 0.00 O ATOM 2183 OE2 GLU A 146 -2.947 -22.357 -1.351 1.00 0.00 O ATOM 0 H GLU A 146 -1.993 -26.104 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 146 -3.133 -24.272 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -0.923 -23.937 -3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -1.878 -22.641 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -3.860 -23.347 -3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -3.223 -24.947 -3.116 1.00 0.00 H new ATOM 2190 N LEU A 147 0.003 -25.024 -6.438 1.00 0.00 N ATOM 2191 CA LEU A 147 1.092 -24.927 -7.403 1.00 0.00 C ATOM 2192 C LEU A 147 0.696 -25.581 -8.716 1.00 0.00 C ATOM 2193 O LEU A 147 0.882 -25.011 -9.791 1.00 0.00 O ATOM 2194 CB LEU A 147 2.330 -25.615 -6.841 1.00 0.00 C ATOM 2195 CG LEU A 147 2.648 -25.249 -5.398 1.00 0.00 C ATOM 2196 CD1 LEU A 147 3.886 -25.982 -4.919 1.00 0.00 C ATOM 2197 CD2 LEU A 147 2.813 -23.746 -5.263 1.00 0.00 C ATOM 0 H LEU A 147 0.174 -25.684 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 147 1.308 -23.875 -7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.194 -26.694 -6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 147 3.187 -25.362 -7.465 1.00 0.00 H new ATOM 0 HG LEU A 147 1.815 -25.559 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 147 4.095 -25.706 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 147 3.719 -27.057 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 147 4.735 -25.710 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 147 3.040 -23.497 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 147 3.628 -23.410 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 147 1.889 -23.250 -5.561 1.00 0.00 H new ATOM 2209 N ALA A 148 0.136 -26.778 -8.603 1.00 0.00 N ATOM 2210 CA ALA A 148 -0.302 -27.553 -9.753 1.00 0.00 C ATOM 2211 C ALA A 148 -1.349 -26.795 -10.563 1.00 0.00 C ATOM 2212 O ALA A 148 -1.410 -26.910 -11.786 1.00 0.00 O ATOM 2213 CB ALA A 148 -0.854 -28.896 -9.286 1.00 0.00 C ATOM 0 H ALA A 148 -0.027 -27.239 -7.708 1.00 0.00 H new ATOM 0 HA ALA A 148 0.556 -27.724 -10.403 1.00 0.00 H new ATOM 0 HB1 ALA A 148 -1.182 -29.475 -10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 148 -0.076 -29.445 -8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 148 -1.700 -28.730 -8.619 1.00 0.00 H new ATOM 2219 N HIS A 149 -2.163 -26.005 -9.877 1.00 0.00 N ATOM 2220 CA HIS A 149 -3.225 -25.259 -10.535 1.00 0.00 C ATOM 2221 C HIS A 149 -2.720 -23.897 -11.004 1.00 0.00 C ATOM 2222 O HIS A 149 -3.394 -23.206 -11.764 1.00 0.00 O ATOM 2223 CB HIS A 149 -4.432 -25.106 -9.602 1.00 0.00 C ATOM 2224 CG HIS A 149 -4.972 -26.423 -9.121 1.00 0.00 C ATOM 2225 ND1 HIS A 149 -5.492 -26.614 -7.859 1.00 0.00 N ATOM 2226 CD2 HIS A 149 -5.048 -27.626 -9.739 1.00 0.00 C ATOM 2227 CE1 HIS A 149 -5.859 -27.874 -7.721 1.00 0.00 C ATOM 2228 NE2 HIS A 149 -5.600 -28.508 -8.846 1.00 0.00 N ATOM 0 H HIS A 149 -2.108 -25.865 -8.868 1.00 0.00 H new ATOM 0 HA HIS A 149 -3.544 -25.818 -11.414 1.00 0.00 H new ATOM 0 HB2 HIS A 149 -4.145 -24.501 -8.742 1.00 0.00 H new ATOM 0 HB3 HIS A 149 -5.221 -24.564 -10.124 1.00 0.00 H new ATOM 0 HD2 HIS A 149 -4.732 -27.849 -10.748 1.00 0.00 H new ATOM 0 HE1 HIS A 149 -6.297 -28.311 -6.836 1.00 0.00 H new ATOM 0 HE2 HIS A 149 -5.781 -29.496 -9.024 1.00 0.00 H new ATOM 2237 N GLY A 150 -1.533 -23.517 -10.541 1.00 0.00 N ATOM 2238 CA GLY A 150 -0.894 -22.305 -11.021 1.00 0.00 C ATOM 2239 C GLY A 150 -1.330 -21.069 -10.267 1.00 0.00 C ATOM 2240 O GLY A 150 -0.931 -19.955 -10.602 1.00 0.00 O ATOM 0 H GLY A 150 -1.000 -24.030 -9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 150 0.187 -22.413 -10.936 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.120 -22.177 -12.080 1.00 0.00 H new ATOM 2244 N HIS A 151 -2.144 -21.268 -9.244 1.00 0.00 N ATOM 2245 CA HIS A 151 -2.653 -20.175 -8.427 1.00 0.00 C ATOM 2246 C HIS A 151 -3.437 -20.734 -7.251 1.00 0.00 C ATOM 2247 O HIS A 151 -3.759 -21.918 -7.236 1.00 0.00 O ATOM 2248 CB HIS A 151 -3.507 -19.190 -9.250 1.00 0.00 C ATOM 2249 CG HIS A 151 -4.591 -19.808 -10.083 1.00 0.00 C ATOM 2250 ND1 HIS A 151 -5.305 -19.100 -11.024 1.00 0.00 N ATOM 2251 CD2 HIS A 151 -5.069 -21.069 -10.123 1.00 0.00 C ATOM 2252 CE1 HIS A 151 -6.175 -19.901 -11.605 1.00 0.00 C ATOM 2253 NE2 HIS A 151 -6.055 -21.103 -11.076 1.00 0.00 N ATOM 0 H HIS A 151 -2.471 -22.190 -8.955 1.00 0.00 H new ATOM 0 HA HIS A 151 -1.802 -19.609 -8.048 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -3.963 -18.474 -8.566 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -2.846 -18.626 -9.908 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -4.737 -21.899 -9.517 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -6.869 -19.620 -12.383 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -6.605 -21.923 -11.333 1.00 0.00 H new