USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 219 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 112 THR OG1 : rot -50:sc= 1.23 USER MOD Set 1.2: A 115 THR OG1 : rot -170:sc= 1.1 USER MOD Set 2.1: A 56 SER OG : rot 56:sc= 0.0252 USER MOD Set 2.2: A 60 MET CE :methyl -172:sc= -2.29 (180deg=-2.42!) USER MOD Set 3.1: A 59 ASN : amide:sc= 0.352 K(o=-0.071,f=-5.3!) USER MOD Set 3.2: A 109 LYS NZ :NH3+ 170:sc= -0.423 (180deg=-0.749) USER MOD Set 4.1: A 47 GLN : amide:sc= -0.055 K(o=-0.057,f=-0.97) USER MOD Set 4.2: A 78 MET CE :methyl 169:sc=-0.00171 (180deg=-0.224) USER MOD Set 5.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 16 THR OG1 : rot 119:sc= 1.02 USER MOD Single : A 1 ARG N :NH3+ 160:sc= 0.378 (180deg=-0.00421) USER MOD Single : A 2 SER OG : rot 180:sc= -0.337 USER MOD Single : A 4 LYS NZ :NH3+ 138:sc= 0.0293 (180deg=-0.0218) USER MOD Single : A 7 LYS NZ :NH3+ -121:sc= 0.0876 (180deg=-0.125) USER MOD Single : A 17 MET CE :methyl -147:sc= -0.628 (180deg=-2.38!) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.4 F(o=-5.8!,f=-0.4) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= -0.208 (180deg=-0.243) USER MOD Single : A 31 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.41) USER MOD Single : A 32 ASN : amide:sc= -0.0729 K(o=-0.073,f=-3.7!) USER MOD Single : A 44 ASN : amide:sc= 0.552 K(o=0.55,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.126) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.44 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 63 MET CE :methyl -121:sc= -0.0075 (180deg=-0.0501) USER MOD Single : A 70 LYS NZ :NH3+ -168:sc=-0.00525 (180deg=-0.158) USER MOD Single : A 71 THR OG1 : rot 12:sc= 0.3 USER MOD Single : A 79 SER OG : rot 119:sc= 1.22 USER MOD Single : A 85 MET CE :methyl -179:sc= -1.25 (180deg=-1.29) USER MOD Single : A 87 THR OG1 : rot 170:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0133) USER MOD Single : A 94 ASN : amide:sc= 1.11 K(o=1.1,f=-5.8!) USER MOD Single : A 100 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.5!) USER MOD Single : A 104 SER OG : rot -140:sc= 0.227 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 166:sc= 0.604 (180deg=0.221) USER MOD Single : A 121 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.8) USER MOD Single : A 122 LYS NZ :NH3+ -117:sc= -0.178 (180deg=-0.469) USER MOD Single : A 126 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.471) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -11.730 0.959 -16.270 1.00 0.00 N ATOM 2 CA ARG A 1 -12.323 -0.105 -15.421 1.00 0.00 C ATOM 3 C ARG A 1 -12.426 0.223 -13.912 1.00 0.00 C ATOM 4 O ARG A 1 -11.438 0.499 -13.225 1.00 0.00 O ATOM 5 CB ARG A 1 -11.569 -1.437 -15.588 1.00 0.00 C ATOM 6 CG ARG A 1 -11.675 -2.013 -17.003 1.00 0.00 C ATOM 7 CD ARG A 1 -10.358 -1.909 -17.779 1.00 0.00 C ATOM 8 NE ARG A 1 -9.352 -2.788 -17.157 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.021 -2.644 -17.194 1.00 0.00 C ATOM 10 NH1 ARG A 1 -7.424 -1.674 -17.887 1.00 0.00 N ATOM 11 NH2 ARG A 1 -7.248 -3.475 -16.525 1.00 0.00 N ATOM 0 H1 ARG A 1 -11.395 0.544 -17.163 1.00 0.00 H new ATOM 0 H2 ARG A 1 -12.449 1.682 -16.473 1.00 0.00 H new ATOM 0 H3 ARG A 1 -10.930 1.397 -15.770 1.00 0.00 H new ATOM 0 HA ARG A 1 -13.346 -0.184 -15.788 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -10.518 -1.286 -15.341 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -11.963 -2.162 -14.876 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -11.977 -3.059 -16.944 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -12.457 -1.486 -17.549 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -10.513 -2.195 -18.819 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -10.005 -0.878 -17.781 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.708 -3.594 -16.642 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -7.985 -1.006 -18.416 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -6.407 -1.600 -17.888 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -7.663 -4.229 -15.978 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -6.234 -3.364 -16.554 1.00 0.00 H new ATOM 20 N SER A 2 -13.647 0.064 -13.424 1.00 0.00 N ATOM 21 CA SER A 2 -14.014 0.301 -12.010 1.00 0.00 C ATOM 22 C SER A 2 -13.601 -0.882 -11.129 1.00 0.00 C ATOM 23 O SER A 2 -14.284 -1.906 -11.020 1.00 0.00 O ATOM 24 CB SER A 2 -15.520 0.575 -11.877 1.00 0.00 C ATOM 25 OG SER A 2 -15.842 0.858 -10.517 1.00 0.00 O ATOM 0 H SER A 2 -14.434 -0.238 -13.998 1.00 0.00 H new ATOM 0 HA SER A 2 -13.473 1.183 -11.667 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.803 1.416 -12.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.088 -0.289 -12.222 1.00 0.00 H new ATOM 0 HG SER A 2 -16.803 1.033 -10.438 1.00 0.00 H new ATOM 28 N ASP A 3 -12.403 -0.746 -10.574 1.00 0.00 N ATOM 29 CA ASP A 3 -11.775 -1.774 -9.710 1.00 0.00 C ATOM 30 C ASP A 3 -12.235 -1.779 -8.236 1.00 0.00 C ATOM 31 O ASP A 3 -11.427 -1.871 -7.313 1.00 0.00 O ATOM 32 CB ASP A 3 -10.240 -1.716 -9.859 1.00 0.00 C ATOM 33 CG ASP A 3 -9.560 -0.382 -9.516 1.00 0.00 C ATOM 34 OD1 ASP A 3 -10.224 0.528 -8.991 1.00 0.00 O ATOM 35 OD2 ASP A 3 -8.363 -0.295 -9.871 1.00 0.00 O ATOM 0 H ASP A 3 -11.824 0.083 -10.704 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.136 -2.736 -10.074 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.808 -2.490 -9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.989 -1.970 -10.889 1.00 0.00 H new ATOM 37 N LYS A 4 -13.553 -1.822 -8.057 1.00 0.00 N ATOM 38 CA LYS A 4 -14.204 -1.843 -6.724 1.00 0.00 C ATOM 39 C LYS A 4 -13.894 -3.126 -5.925 1.00 0.00 C ATOM 40 O LYS A 4 -13.485 -3.069 -4.758 1.00 0.00 O ATOM 41 CB LYS A 4 -15.724 -1.676 -6.871 1.00 0.00 C ATOM 42 CG LYS A 4 -16.131 -0.317 -7.452 1.00 0.00 C ATOM 43 CD LYS A 4 -15.870 0.848 -6.495 1.00 0.00 C ATOM 44 CE LYS A 4 -16.366 2.172 -7.077 1.00 0.00 C ATOM 45 NZ LYS A 4 -16.300 3.204 -6.039 1.00 0.00 N ATOM 0 H LYS A 4 -14.216 -1.844 -8.832 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.791 -1.006 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.109 -2.468 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.192 -1.801 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.584 -0.147 -8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.191 -0.340 -7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.368 0.658 -5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.802 0.918 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.755 2.459 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.389 2.065 -7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.934 4.087 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.252 3.370 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.667 2.889 -5.276 1.00 0.00 H new ATOM 50 N GLU A 5 -13.984 -4.270 -6.591 1.00 0.00 N ATOM 51 CA GLU A 5 -13.703 -5.599 -5.995 1.00 0.00 C ATOM 52 C GLU A 5 -12.208 -5.957 -6.153 1.00 0.00 C ATOM 53 O GLU A 5 -11.802 -6.885 -6.858 1.00 0.00 O ATOM 54 CB GLU A 5 -14.658 -6.628 -6.612 1.00 0.00 C ATOM 55 CG GLU A 5 -14.606 -7.983 -5.884 1.00 0.00 C ATOM 56 CD GLU A 5 -15.565 -9.015 -6.474 1.00 0.00 C ATOM 57 OE1 GLU A 5 -15.225 -9.584 -7.534 1.00 0.00 O ATOM 58 OE2 GLU A 5 -16.632 -9.220 -5.842 1.00 0.00 O ATOM 0 H GLU A 5 -14.256 -4.317 -7.573 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.887 -5.591 -4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.676 -6.240 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.404 -6.772 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.589 -8.374 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.845 -7.833 -4.831 1.00 0.00 H new ATOM 60 N LEU A 6 -11.390 -5.094 -5.559 1.00 0.00 N ATOM 61 CA LEU A 6 -9.923 -5.213 -5.564 1.00 0.00 C ATOM 62 C LEU A 6 -9.429 -5.656 -4.185 1.00 0.00 C ATOM 63 O LEU A 6 -9.900 -5.181 -3.153 1.00 0.00 O ATOM 64 CB LEU A 6 -9.326 -3.854 -5.947 1.00 0.00 C ATOM 65 CG LEU A 6 -7.925 -3.928 -6.588 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.595 -2.609 -7.277 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.820 -4.246 -5.581 1.00 0.00 C ATOM 0 H LEU A 6 -11.726 -4.276 -5.050 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.608 -5.964 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.003 -3.357 -6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.271 -3.231 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.961 -4.745 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.604 -2.671 -7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.334 -2.409 -8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.611 -1.802 -6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.859 -4.284 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.792 -3.471 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.020 -5.210 -5.114 1.00 0.00 H new ATOM 69 N LYS A 7 -8.572 -6.678 -4.231 1.00 0.00 N ATOM 70 CA LYS A 7 -7.898 -7.264 -3.053 1.00 0.00 C ATOM 71 C LYS A 7 -6.716 -6.399 -2.596 1.00 0.00 C ATOM 72 O LYS A 7 -5.670 -6.317 -3.238 1.00 0.00 O ATOM 73 CB LYS A 7 -7.432 -8.692 -3.355 1.00 0.00 C ATOM 74 CG LYS A 7 -8.413 -9.776 -2.905 1.00 0.00 C ATOM 75 CD LYS A 7 -8.436 -9.899 -1.379 1.00 0.00 C ATOM 76 CE LYS A 7 -9.285 -11.070 -0.886 1.00 0.00 C ATOM 77 NZ LYS A 7 -8.633 -12.343 -1.225 1.00 0.00 N ATOM 0 H LYS A 7 -8.316 -7.137 -5.105 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.622 -7.297 -2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.266 -8.790 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.472 -8.860 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.413 -9.540 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.131 -10.732 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.416 -10.019 -1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.821 -8.973 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.425 -11.000 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.276 -11.028 -1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.267 -12.909 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.749 -12.154 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.421 -12.868 -0.352 1.00 0.00 H new ATOM 82 N PHE A 8 -6.998 -5.662 -1.530 1.00 0.00 N ATOM 83 CA PHE A 8 -6.063 -4.732 -0.862 1.00 0.00 C ATOM 84 C PHE A 8 -5.466 -5.293 0.423 1.00 0.00 C ATOM 85 O PHE A 8 -6.148 -5.952 1.212 1.00 0.00 O ATOM 86 CB PHE A 8 -6.800 -3.463 -0.421 1.00 0.00 C ATOM 87 CG PHE A 8 -7.057 -2.457 -1.532 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.209 -2.584 -2.345 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.195 -1.344 -1.663 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.487 -1.588 -3.309 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.474 -0.350 -2.614 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.615 -0.482 -3.433 1.00 0.00 C ATOM 0 H PHE A 8 -7.914 -5.688 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.281 -4.549 -1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.755 -3.749 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.220 -2.977 0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.868 -3.432 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.323 -1.259 -1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.357 -1.671 -3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.823 0.506 -2.717 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.827 0.278 -4.170 1.00 0.00 H new ATOM 94 N LEU A 9 -4.171 -5.045 0.595 1.00 0.00 N ATOM 95 CA LEU A 9 -3.499 -5.416 1.833 1.00 0.00 C ATOM 96 C LEU A 9 -2.978 -4.154 2.542 1.00 0.00 C ATOM 97 O LEU A 9 -2.078 -3.460 2.065 1.00 0.00 O ATOM 98 CB LEU A 9 -2.327 -6.363 1.593 1.00 0.00 C ATOM 99 CG LEU A 9 -2.284 -7.494 2.633 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.903 -8.111 2.545 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.507 -7.093 4.099 1.00 0.00 C ATOM 0 H LEU A 9 -3.574 -4.595 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.232 -5.932 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.405 -6.791 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.393 -5.802 1.628 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.114 -8.157 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.821 -8.923 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.742 -8.501 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.151 -7.353 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.453 -7.979 4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.738 -6.383 4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.489 -6.632 4.205 1.00 0.00 H new ATOM 103 N VAL A 10 -3.612 -3.875 3.674 1.00 0.00 N ATOM 104 CA VAL A 10 -3.266 -2.752 4.551 1.00 0.00 C ATOM 105 C VAL A 10 -2.173 -3.237 5.510 1.00 0.00 C ATOM 106 O VAL A 10 -2.395 -3.868 6.535 1.00 0.00 O ATOM 107 CB VAL A 10 -4.544 -2.239 5.251 1.00 0.00 C ATOM 108 CG1 VAL A 10 -4.255 -1.255 6.386 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.431 -1.531 4.231 1.00 0.00 C ATOM 0 H VAL A 10 -4.396 -4.430 4.019 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.867 -1.898 4.004 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.034 -3.113 5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.194 -0.933 6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.639 -1.742 7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.726 -0.388 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.333 -1.168 4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.889 -0.689 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.705 -2.229 3.440 1.00 0.00 H new ATOM 111 N VAL A 11 -0.955 -2.908 5.106 1.00 0.00 N ATOM 112 CA VAL A 11 0.273 -3.281 5.843 1.00 0.00 C ATOM 113 C VAL A 11 0.726 -2.031 6.613 1.00 0.00 C ATOM 114 O VAL A 11 1.696 -1.346 6.289 1.00 0.00 O ATOM 115 CB VAL A 11 1.363 -3.829 4.913 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.434 -4.520 5.773 1.00 0.00 C ATOM 117 CG2 VAL A 11 0.837 -4.846 3.902 1.00 0.00 C ATOM 0 H VAL A 11 -0.775 -2.373 4.256 1.00 0.00 H new ATOM 0 HA VAL A 11 0.071 -4.097 6.537 1.00 0.00 H new ATOM 0 HB VAL A 11 1.762 -2.984 4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.218 -4.916 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.865 -3.798 6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.979 -5.336 6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.658 -5.194 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.400 -5.693 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.077 -4.378 3.277 1.00 0.00 H new ATOM 119 N ASP A 12 -0.037 -1.769 7.669 1.00 0.00 N ATOM 120 CA ASP A 12 0.166 -0.584 8.520 1.00 0.00 C ATOM 121 C ASP A 12 0.293 -0.920 10.013 1.00 0.00 C ATOM 122 O ASP A 12 -0.646 -0.771 10.789 1.00 0.00 O ATOM 123 CB ASP A 12 -0.944 0.432 8.209 1.00 0.00 C ATOM 124 CG ASP A 12 -0.888 0.942 6.767 1.00 0.00 C ATOM 125 OD1 ASP A 12 -1.498 0.282 5.893 1.00 0.00 O ATOM 126 OD2 ASP A 12 -0.189 1.957 6.552 1.00 0.00 O ATOM 0 H ASP A 12 -0.811 -2.363 7.965 1.00 0.00 H new ATOM 0 HA ASP A 12 1.130 -0.135 8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.915 -0.029 8.390 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.860 1.277 8.893 1.00 0.00 H new ATOM 128 N ASP A 13 1.538 -1.209 10.375 1.00 0.00 N ATOM 129 CA ASP A 13 2.033 -1.592 11.718 1.00 0.00 C ATOM 130 C ASP A 13 1.149 -1.459 12.973 1.00 0.00 C ATOM 131 O ASP A 13 0.864 -2.463 13.624 1.00 0.00 O ATOM 132 CB ASP A 13 3.422 -0.982 11.979 1.00 0.00 C ATOM 133 CG ASP A 13 3.490 0.537 11.831 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.500 0.993 10.671 1.00 0.00 O ATOM 135 OD2 ASP A 13 3.458 1.211 12.880 1.00 0.00 O ATOM 0 H ASP A 13 2.296 -1.183 9.693 1.00 0.00 H new ATOM 0 HA ASP A 13 2.041 -2.676 11.604 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.738 -1.250 12.987 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.137 -1.433 11.291 1.00 0.00 H new ATOM 137 N PHE A 14 0.647 -0.257 13.216 1.00 0.00 N ATOM 138 CA PHE A 14 -0.167 0.016 14.409 1.00 0.00 C ATOM 139 C PHE A 14 -1.608 -0.435 14.152 1.00 0.00 C ATOM 140 O PHE A 14 -2.197 -0.087 13.130 1.00 0.00 O ATOM 141 CB PHE A 14 -0.108 1.518 14.689 1.00 0.00 C ATOM 142 CG PHE A 14 -0.664 1.982 16.039 1.00 0.00 C ATOM 143 CD1 PHE A 14 -0.499 1.191 17.205 1.00 0.00 C ATOM 144 CD2 PHE A 14 -1.181 3.292 16.127 1.00 0.00 C ATOM 145 CE1 PHE A 14 -0.854 1.724 18.461 1.00 0.00 C ATOM 146 CE2 PHE A 14 -1.537 3.825 17.383 1.00 0.00 C ATOM 147 CZ PHE A 14 -1.362 3.042 18.544 1.00 0.00 C ATOM 0 H PHE A 14 0.785 0.550 12.608 1.00 0.00 H new ATOM 0 HA PHE A 14 0.211 -0.529 15.274 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.932 1.838 14.620 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.654 2.034 13.899 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.105 0.188 17.131 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.304 3.886 15.233 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.739 1.129 19.355 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.940 4.824 17.456 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.619 3.454 19.509 1.00 0.00 H new ATOM 149 N SER A 15 -2.171 -1.146 15.124 1.00 0.00 N ATOM 150 CA SER A 15 -3.567 -1.657 15.081 1.00 0.00 C ATOM 151 C SER A 15 -4.578 -0.596 14.623 1.00 0.00 C ATOM 152 O SER A 15 -5.231 -0.774 13.597 1.00 0.00 O ATOM 153 CB SER A 15 -3.944 -2.208 16.454 1.00 0.00 C ATOM 154 OG SER A 15 -3.564 -1.275 17.465 1.00 0.00 O ATOM 0 H SER A 15 -1.677 -1.395 15.981 1.00 0.00 H new ATOM 0 HA SER A 15 -3.606 -2.453 14.337 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.017 -2.393 16.501 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.448 -3.164 16.622 1.00 0.00 H new ATOM 0 HG SER A 15 -3.808 -1.629 18.346 1.00 0.00 H new ATOM 157 N THR A 16 -4.516 0.569 15.266 1.00 0.00 N ATOM 158 CA THR A 16 -5.370 1.738 14.935 1.00 0.00 C ATOM 159 C THR A 16 -5.137 2.192 13.481 1.00 0.00 C ATOM 160 O THR A 16 -6.076 2.174 12.687 1.00 0.00 O ATOM 161 CB THR A 16 -5.087 2.921 15.868 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.456 2.472 17.071 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.389 3.662 16.196 1.00 0.00 C ATOM 0 H THR A 16 -3.872 0.742 16.038 1.00 0.00 H new ATOM 0 HA THR A 16 -6.405 1.421 15.062 1.00 0.00 H new ATOM 0 HB THR A 16 -4.411 3.608 15.359 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.572 2.888 17.152 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.174 4.500 16.859 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.838 4.034 15.275 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.082 2.979 16.687 1.00 0.00 H new ATOM 166 N MET A 17 -3.871 2.365 13.109 1.00 0.00 N ATOM 167 CA MET A 17 -3.459 2.803 11.756 1.00 0.00 C ATOM 168 C MET A 17 -3.989 1.843 10.672 1.00 0.00 C ATOM 169 O MET A 17 -4.600 2.278 9.693 1.00 0.00 O ATOM 170 CB MET A 17 -1.927 2.880 11.696 1.00 0.00 C ATOM 171 CG MET A 17 -1.395 4.007 10.811 1.00 0.00 C ATOM 172 SD MET A 17 -1.759 3.825 9.026 1.00 0.00 S ATOM 173 CE MET A 17 -2.433 5.435 8.711 1.00 0.00 C ATOM 0 H MET A 17 -3.084 2.206 13.738 1.00 0.00 H new ATOM 0 HA MET A 17 -3.885 3.787 11.561 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.540 3.012 12.707 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.540 1.930 11.328 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.816 4.951 11.158 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.315 4.072 10.942 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.204 5.363 7.944 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.869 5.833 9.627 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.641 6.100 8.368 1.00 0.00 H new ATOM 175 N ARG A 18 -3.843 0.538 10.923 1.00 0.00 N ATOM 176 CA ARG A 18 -4.333 -0.532 10.040 1.00 0.00 C ATOM 177 C ARG A 18 -5.847 -0.421 9.808 1.00 0.00 C ATOM 178 O ARG A 18 -6.289 -0.206 8.676 1.00 0.00 O ATOM 179 CB ARG A 18 -3.999 -1.907 10.645 1.00 0.00 C ATOM 180 CG ARG A 18 -2.924 -2.618 9.831 1.00 0.00 C ATOM 181 CD ARG A 18 -2.562 -4.000 10.382 1.00 0.00 C ATOM 182 NE ARG A 18 -2.040 -3.948 11.756 1.00 0.00 N ATOM 183 CZ ARG A 18 -2.249 -4.882 12.691 1.00 0.00 C ATOM 184 NH1 ARG A 18 -2.991 -5.961 12.455 1.00 0.00 N ATOM 185 NH2 ARG A 18 -1.720 -4.734 13.898 1.00 0.00 N ATOM 0 H ARG A 18 -3.374 0.187 11.758 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.835 -0.425 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.658 -1.782 11.673 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.899 -2.521 10.680 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.268 -2.723 8.802 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.028 -1.998 9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.445 -4.638 10.358 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.818 -4.461 9.733 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.476 -3.139 12.016 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.420 -6.095 11.539 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.131 -6.655 13.190 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.157 -3.911 14.110 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.877 -5.443 14.614 1.00 0.00 H new ATOM 192 N ARG A 19 -6.585 -0.347 10.918 1.00 0.00 N ATOM 193 CA ARG A 19 -8.052 -0.206 10.919 1.00 0.00 C ATOM 194 C ARG A 19 -8.524 1.034 10.136 1.00 0.00 C ATOM 195 O ARG A 19 -9.396 0.899 9.280 1.00 0.00 O ATOM 196 CB ARG A 19 -8.572 -0.156 12.363 1.00 0.00 C ATOM 197 CG ARG A 19 -8.563 -1.523 13.041 1.00 0.00 C ATOM 198 CD ARG A 19 -9.923 -2.245 12.993 1.00 0.00 C ATOM 199 NE ARG A 19 -10.321 -2.652 11.631 1.00 0.00 N ATOM 200 CZ ARG A 19 -11.541 -2.521 11.103 1.00 0.00 C ATOM 201 NH1 ARG A 19 -12.561 -1.974 11.748 1.00 0.00 N ATOM 202 NH2 ARG A 19 -11.764 -2.910 9.852 1.00 0.00 N ATOM 0 H ARG A 19 -6.181 -0.383 11.854 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.464 -1.078 10.412 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.960 0.536 12.941 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.588 0.239 12.365 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.811 -2.151 12.564 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.263 -1.401 14.082 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.880 -3.128 13.631 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.689 -1.590 13.407 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.601 -3.070 11.041 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.436 -1.626 12.699 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.471 -1.900 11.294 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.005 -3.307 9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.694 -2.812 9.445 1.00 0.00 H new ATOM 209 N ILE A 20 -7.850 2.169 10.326 1.00 0.00 N ATOM 210 CA ILE A 20 -8.185 3.439 9.637 1.00 0.00 C ATOM 211 C ILE A 20 -8.220 3.244 8.110 1.00 0.00 C ATOM 212 O ILE A 20 -9.300 3.228 7.520 1.00 0.00 O ATOM 213 CB ILE A 20 -7.226 4.584 10.031 1.00 0.00 C ATOM 214 CG1 ILE A 20 -7.122 4.821 11.551 1.00 0.00 C ATOM 215 CG2 ILE A 20 -7.530 5.903 9.309 1.00 0.00 C ATOM 216 CD1 ILE A 20 -8.438 5.018 12.318 1.00 0.00 C ATOM 0 H ILE A 20 -7.054 2.245 10.960 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.182 3.731 9.966 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.251 4.231 9.694 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.597 3.973 11.991 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.500 5.701 11.715 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.821 6.666 9.630 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.443 5.757 8.232 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.543 6.225 9.551 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.223 5.175 13.375 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.963 5.887 11.922 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.063 4.132 12.202 1.00 0.00 H new ATOM 218 N VAL A 21 -7.071 2.856 7.543 1.00 0.00 N ATOM 219 CA VAL A 21 -6.912 2.656 6.084 1.00 0.00 C ATOM 220 C VAL A 21 -7.918 1.622 5.539 1.00 0.00 C ATOM 221 O VAL A 21 -8.633 1.911 4.579 1.00 0.00 O ATOM 222 CB VAL A 21 -5.472 2.223 5.702 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.257 2.438 4.205 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.375 2.988 6.444 1.00 0.00 C ATOM 0 H VAL A 21 -6.222 2.670 8.076 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.112 3.625 5.626 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.392 1.174 5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.246 2.134 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.977 1.841 3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.395 3.492 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.398 2.627 6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.460 4.052 6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.484 2.831 7.517 1.00 0.00 H new ATOM 226 N ARG A 22 -8.054 0.502 6.261 1.00 0.00 N ATOM 227 CA ARG A 22 -8.981 -0.596 5.913 1.00 0.00 C ATOM 228 C ARG A 22 -10.428 -0.099 5.734 1.00 0.00 C ATOM 229 O ARG A 22 -10.987 -0.183 4.638 1.00 0.00 O ATOM 230 CB ARG A 22 -8.863 -1.642 7.029 1.00 0.00 C ATOM 231 CG ARG A 22 -9.483 -2.979 6.622 1.00 0.00 C ATOM 232 CD ARG A 22 -9.302 -4.018 7.719 1.00 0.00 C ATOM 233 NE ARG A 22 -9.782 -5.321 7.234 1.00 0.00 N ATOM 234 CZ ARG A 22 -10.200 -6.338 7.974 1.00 0.00 C ATOM 235 NH1 ARG A 22 -10.510 -6.218 9.261 1.00 0.00 N ATOM 236 NH2 ARG A 22 -10.523 -7.473 7.372 1.00 0.00 N ATOM 0 H ARG A 22 -7.521 0.326 7.112 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.713 -1.032 4.950 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.812 -1.790 7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.356 -1.272 7.928 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.545 -2.844 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.021 -3.333 5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.252 -4.086 8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.854 -3.723 8.611 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.794 -5.456 6.223 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.431 -5.312 9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.827 -7.032 9.787 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.448 -7.552 6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.847 -8.268 7.923 1.00 0.00 H new ATOM 243 N ASN A 23 -10.923 0.596 6.753 1.00 0.00 N ATOM 244 CA ASN A 23 -12.279 1.190 6.748 1.00 0.00 C ATOM 245 C ASN A 23 -12.465 2.269 5.670 1.00 0.00 C ATOM 246 O ASN A 23 -13.484 2.291 4.984 1.00 0.00 O ATOM 247 CB ASN A 23 -12.680 1.669 8.142 1.00 0.00 C ATOM 248 CG ASN A 23 -12.962 0.479 9.075 1.00 0.00 C ATOM 249 OD1 ASN A 23 -11.986 0.107 9.880 1.00 0.00 O flip ATOM 250 ND2 ASN A 23 -14.007 -0.154 9.043 1.00 0.00 N flip ATOM 0 H ASN A 23 -10.403 0.770 7.613 1.00 0.00 H new ATOM 0 HA ASN A 23 -12.969 0.393 6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.884 2.284 8.562 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.567 2.299 8.073 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -14.760 0.136 8.419 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.126 -0.972 9.640 1.00 0.00 H new ATOM 254 N LEU A 24 -11.417 3.072 5.448 1.00 0.00 N ATOM 255 CA LEU A 24 -11.412 4.115 4.397 1.00 0.00 C ATOM 256 C LEU A 24 -11.693 3.528 3.008 1.00 0.00 C ATOM 257 O LEU A 24 -12.617 3.942 2.323 1.00 0.00 O ATOM 258 CB LEU A 24 -10.060 4.845 4.359 1.00 0.00 C ATOM 259 CG LEU A 24 -9.787 5.712 5.585 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.459 6.460 5.423 1.00 0.00 C ATOM 261 CD2 LEU A 24 -10.883 6.737 5.894 1.00 0.00 C ATOM 0 H LEU A 24 -10.551 3.023 5.984 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.207 4.817 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.263 4.107 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.022 5.472 3.468 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.754 5.015 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.277 7.074 6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.648 5.741 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.506 7.098 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.607 7.309 6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.998 7.413 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.825 6.219 6.075 1.00 0.00 H new ATOM 263 N LEU A 25 -10.927 2.492 2.683 1.00 0.00 N ATOM 264 CA LEU A 25 -11.070 1.734 1.407 1.00 0.00 C ATOM 265 C LEU A 25 -12.501 1.238 1.175 1.00 0.00 C ATOM 266 O LEU A 25 -13.105 1.529 0.145 1.00 0.00 O ATOM 267 CB LEU A 25 -10.111 0.542 1.363 1.00 0.00 C ATOM 268 CG LEU A 25 -8.677 1.032 1.365 1.00 0.00 C ATOM 269 CD1 LEU A 25 -7.708 -0.086 1.718 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.278 1.654 0.017 1.00 0.00 C ATOM 0 H LEU A 25 -10.183 2.140 3.286 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.821 2.435 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.284 -0.107 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.299 -0.054 0.470 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.618 1.806 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.689 0.300 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.943 -0.471 2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.797 -0.889 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.243 1.991 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.381 0.909 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.927 2.503 -0.198 1.00 0.00 H new ATOM 272 N LYS A 26 -13.064 0.647 2.232 1.00 0.00 N ATOM 273 CA LYS A 26 -14.459 0.152 2.242 1.00 0.00 C ATOM 274 C LYS A 26 -15.451 1.281 1.902 1.00 0.00 C ATOM 275 O LYS A 26 -16.164 1.181 0.906 1.00 0.00 O ATOM 276 CB LYS A 26 -14.782 -0.452 3.616 1.00 0.00 C ATOM 277 CG LYS A 26 -13.955 -1.710 3.898 1.00 0.00 C ATOM 278 CD LYS A 26 -14.027 -2.075 5.376 1.00 0.00 C ATOM 279 CE LYS A 26 -13.153 -3.302 5.668 1.00 0.00 C ATOM 280 NZ LYS A 26 -13.032 -3.463 7.123 1.00 0.00 N ATOM 0 H LYS A 26 -12.571 0.494 3.112 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.560 -0.619 1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.591 0.289 4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.843 -0.697 3.664 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.325 -2.539 3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.917 -1.543 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.695 -1.232 5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.060 -2.282 5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.596 -4.194 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.168 -3.179 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.148 -3.963 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.023 -2.527 7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.840 -4.013 7.480 1.00 0.00 H new ATOM 285 N GLU A 27 -15.258 2.420 2.567 1.00 0.00 N ATOM 286 CA GLU A 27 -16.038 3.657 2.389 1.00 0.00 C ATOM 287 C GLU A 27 -15.964 4.204 0.947 1.00 0.00 C ATOM 288 O GLU A 27 -16.972 4.660 0.406 1.00 0.00 O ATOM 289 CB GLU A 27 -15.468 4.672 3.384 1.00 0.00 C ATOM 290 CG GLU A 27 -15.865 4.389 4.836 1.00 0.00 C ATOM 291 CD GLU A 27 -15.124 5.322 5.801 1.00 0.00 C ATOM 292 OE1 GLU A 27 -15.624 6.444 5.992 1.00 0.00 O ATOM 293 OE2 GLU A 27 -14.077 4.898 6.337 1.00 0.00 O ATOM 0 H GLU A 27 -14.528 2.516 3.273 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.094 3.460 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.381 4.675 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.810 5.670 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.941 4.518 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.639 3.352 5.083 1.00 0.00 H new ATOM 295 N LEU A 28 -14.780 4.108 0.346 1.00 0.00 N ATOM 296 CA LEU A 28 -14.481 4.519 -1.046 1.00 0.00 C ATOM 297 C LEU A 28 -15.095 3.594 -2.123 1.00 0.00 C ATOM 298 O LEU A 28 -15.127 3.948 -3.300 1.00 0.00 O ATOM 299 CB LEU A 28 -12.964 4.547 -1.265 1.00 0.00 C ATOM 300 CG LEU A 28 -12.234 5.598 -0.424 1.00 0.00 C ATOM 301 CD1 LEU A 28 -10.730 5.353 -0.489 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.576 7.026 -0.852 1.00 0.00 C ATOM 0 H LEU A 28 -13.963 3.728 0.824 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.931 5.505 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.555 3.563 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.763 4.736 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.572 5.495 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.213 6.102 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.506 4.360 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.395 5.422 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.033 7.734 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.291 7.172 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.648 7.192 -0.742 1.00 0.00 H new ATOM 304 N GLY A 29 -15.508 2.403 -1.696 1.00 0.00 N ATOM 305 CA GLY A 29 -16.104 1.365 -2.562 1.00 0.00 C ATOM 306 C GLY A 29 -15.205 0.139 -2.812 1.00 0.00 C ATOM 307 O GLY A 29 -15.596 -0.767 -3.548 1.00 0.00 O ATOM 0 H GLY A 29 -15.440 2.118 -0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.038 1.028 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.357 1.814 -3.522 1.00 0.00 H new ATOM 309 N PHE A 30 -14.097 0.049 -2.079 1.00 0.00 N ATOM 310 CA PHE A 30 -13.141 -1.070 -2.209 1.00 0.00 C ATOM 311 C PHE A 30 -13.464 -2.204 -1.226 1.00 0.00 C ATOM 312 O PHE A 30 -13.157 -2.187 -0.034 1.00 0.00 O ATOM 313 CB PHE A 30 -11.697 -0.586 -2.135 1.00 0.00 C ATOM 314 CG PHE A 30 -11.375 0.398 -3.257 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.491 0.000 -4.610 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.016 1.729 -2.936 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.268 0.931 -5.645 1.00 0.00 C ATOM 318 CE2 PHE A 30 -10.775 2.668 -3.960 1.00 0.00 C ATOM 319 CZ PHE A 30 -10.911 2.260 -5.309 1.00 0.00 C ATOM 0 H PHE A 30 -13.830 0.741 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.256 -1.500 -3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.522 -0.109 -1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.023 -1.440 -2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.751 -1.020 -4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.926 2.027 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.368 0.635 -6.679 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.491 3.682 -3.719 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.739 2.977 -6.098 1.00 0.00 H new ATOM 321 N ASN A 31 -14.152 -3.162 -1.835 1.00 0.00 N ATOM 322 CA ASN A 31 -14.732 -4.373 -1.218 1.00 0.00 C ATOM 323 C ASN A 31 -13.809 -5.350 -0.467 1.00 0.00 C ATOM 324 O ASN A 31 -14.175 -5.792 0.625 1.00 0.00 O ATOM 325 CB ASN A 31 -15.487 -5.174 -2.292 1.00 0.00 C ATOM 326 CG ASN A 31 -16.443 -4.358 -3.166 1.00 0.00 C ATOM 327 OD1 ASN A 31 -16.535 -4.526 -4.375 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.136 -3.390 -2.602 1.00 0.00 N ATOM 0 H ASN A 31 -14.338 -3.122 -2.837 1.00 0.00 H new ATOM 0 HA ASN A 31 -15.359 -3.953 -0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.757 -5.662 -2.938 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.055 -5.964 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.737 -2.795 -3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.071 -3.236 -1.596 1.00 0.00 H new ATOM 332 N ASN A 32 -12.629 -5.652 -1.006 1.00 0.00 N ATOM 333 CA ASN A 32 -11.765 -6.678 -0.384 1.00 0.00 C ATOM 334 C ASN A 32 -10.484 -6.121 0.237 1.00 0.00 C ATOM 335 O ASN A 32 -9.542 -5.735 -0.462 1.00 0.00 O ATOM 336 CB ASN A 32 -11.423 -7.755 -1.423 1.00 0.00 C ATOM 337 CG ASN A 32 -12.621 -8.220 -2.245 1.00 0.00 C ATOM 338 OD1 ASN A 32 -12.835 -7.808 -3.375 1.00 0.00 O ATOM 339 ND2 ASN A 32 -13.500 -9.004 -1.654 1.00 0.00 N ATOM 0 H ASN A 32 -12.249 -5.220 -1.848 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.334 -7.104 0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.660 -7.366 -2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.989 -8.615 -0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.358 -9.266 -2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.323 -9.349 -0.711 1.00 0.00 H new ATOM 343 N VAL A 33 -10.460 -6.085 1.566 1.00 0.00 N ATOM 344 CA VAL A 33 -9.295 -5.549 2.298 1.00 0.00 C ATOM 345 C VAL A 33 -8.840 -6.452 3.469 1.00 0.00 C ATOM 346 O VAL A 33 -9.622 -6.774 4.369 1.00 0.00 O ATOM 347 CB VAL A 33 -9.558 -4.120 2.821 1.00 0.00 C ATOM 348 CG1 VAL A 33 -8.218 -3.469 3.195 1.00 0.00 C ATOM 349 CG2 VAL A 33 -10.229 -3.187 1.805 1.00 0.00 C ATOM 0 H VAL A 33 -11.220 -6.414 2.161 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.486 -5.523 1.568 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.234 -4.239 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.395 -2.459 3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.730 -4.060 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.576 -3.425 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.376 -2.205 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.594 -3.091 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.194 -3.601 1.513 1.00 0.00 H new ATOM 351 N GLU A 34 -7.549 -6.792 3.451 1.00 0.00 N ATOM 352 CA GLU A 34 -6.881 -7.599 4.495 1.00 0.00 C ATOM 353 C GLU A 34 -5.916 -6.653 5.233 1.00 0.00 C ATOM 354 O GLU A 34 -5.448 -5.671 4.661 1.00 0.00 O ATOM 355 CB GLU A 34 -6.069 -8.694 3.796 1.00 0.00 C ATOM 356 CG GLU A 34 -5.626 -9.823 4.731 1.00 0.00 C ATOM 357 CD GLU A 34 -4.682 -10.837 4.058 1.00 0.00 C ATOM 358 OE1 GLU A 34 -3.694 -10.391 3.436 1.00 0.00 O ATOM 359 OE2 GLU A 34 -4.896 -12.043 4.302 1.00 0.00 O ATOM 0 H GLU A 34 -6.920 -6.512 2.699 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.594 -8.049 5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.666 -9.117 2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.187 -8.245 3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.126 -9.392 5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.508 -10.347 5.099 1.00 0.00 H new ATOM 361 N GLU A 35 -5.548 -7.006 6.462 1.00 0.00 N ATOM 362 CA GLU A 35 -4.625 -6.184 7.267 1.00 0.00 C ATOM 363 C GLU A 35 -3.461 -6.977 7.877 1.00 0.00 C ATOM 364 O GLU A 35 -3.667 -8.027 8.490 1.00 0.00 O ATOM 365 CB GLU A 35 -5.376 -5.318 8.293 1.00 0.00 C ATOM 366 CG GLU A 35 -6.230 -6.061 9.337 1.00 0.00 C ATOM 367 CD GLU A 35 -6.828 -5.106 10.386 1.00 0.00 C ATOM 368 OE1 GLU A 35 -6.070 -4.277 10.918 1.00 0.00 O ATOM 369 OE2 GLU A 35 -8.034 -5.244 10.677 1.00 0.00 O ATOM 0 H GLU A 35 -5.870 -7.854 6.929 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.147 -5.497 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.644 -4.709 8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.026 -4.633 7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.036 -6.594 8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.617 -6.811 9.838 1.00 0.00 H new ATOM 371 N ALA A 36 -2.251 -6.572 7.488 1.00 0.00 N ATOM 372 CA ALA A 36 -0.978 -7.161 7.941 1.00 0.00 C ATOM 373 C ALA A 36 -0.171 -6.144 8.760 1.00 0.00 C ATOM 374 O ALA A 36 -0.148 -4.953 8.440 1.00 0.00 O ATOM 375 CB ALA A 36 -0.140 -7.617 6.744 1.00 0.00 C ATOM 0 H ALA A 36 -2.120 -5.803 6.830 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.214 -8.022 8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.796 -8.049 7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.693 -8.365 6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.075 -6.762 6.103 1.00 0.00 H new ATOM 377 N GLU A 37 0.610 -6.647 9.711 1.00 0.00 N ATOM 378 CA GLU A 37 1.386 -5.791 10.615 1.00 0.00 C ATOM 379 C GLU A 37 2.646 -5.171 9.984 1.00 0.00 C ATOM 380 O GLU A 37 2.764 -3.955 9.844 1.00 0.00 O ATOM 381 CB GLU A 37 1.695 -6.634 11.852 1.00 0.00 C ATOM 382 CG GLU A 37 1.906 -5.782 13.104 1.00 0.00 C ATOM 383 CD GLU A 37 3.261 -5.049 13.181 1.00 0.00 C ATOM 384 OE1 GLU A 37 4.259 -5.630 12.701 1.00 0.00 O ATOM 385 OE2 GLU A 37 3.295 -3.951 13.770 1.00 0.00 O ATOM 0 H GLU A 37 0.725 -7.646 9.879 1.00 0.00 H new ATOM 0 HA GLU A 37 0.796 -4.912 10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.876 -7.332 12.026 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.589 -7.230 11.667 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.108 -5.042 13.159 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.808 -6.423 13.980 1.00 0.00 H new ATOM 387 N ASP A 38 3.567 -6.026 9.542 1.00 0.00 N ATOM 388 CA ASP A 38 4.849 -5.560 8.976 1.00 0.00 C ATOM 389 C ASP A 38 5.185 -6.289 7.667 1.00 0.00 C ATOM 390 O ASP A 38 4.549 -7.310 7.365 1.00 0.00 O ATOM 391 CB ASP A 38 5.948 -5.749 10.033 1.00 0.00 C ATOM 392 CG ASP A 38 6.386 -7.201 10.227 1.00 0.00 C ATOM 393 OD1 ASP A 38 5.510 -8.041 10.539 1.00 0.00 O ATOM 394 OD2 ASP A 38 7.506 -7.501 9.753 1.00 0.00 O ATOM 0 H ASP A 38 3.458 -7.040 9.561 1.00 0.00 H new ATOM 0 HA ASP A 38 4.773 -4.503 8.723 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.816 -5.154 9.749 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.591 -5.358 10.986 1.00 0.00 H new ATOM 396 N GLY A 39 6.349 -5.937 7.129 1.00 0.00 N ATOM 397 CA GLY A 39 6.936 -6.510 5.900 1.00 0.00 C ATOM 398 C GLY A 39 6.825 -8.041 5.789 1.00 0.00 C ATOM 399 O GLY A 39 6.120 -8.554 4.934 1.00 0.00 O ATOM 0 H GLY A 39 6.940 -5.218 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.447 -6.060 5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.989 -6.231 5.852 1.00 0.00 H new ATOM 401 N VAL A 40 7.344 -8.703 6.816 1.00 0.00 N ATOM 402 CA VAL A 40 7.351 -10.183 6.921 1.00 0.00 C ATOM 403 C VAL A 40 5.916 -10.779 6.835 1.00 0.00 C ATOM 404 O VAL A 40 5.649 -11.619 5.979 1.00 0.00 O ATOM 405 CB VAL A 40 8.049 -10.622 8.220 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.135 -12.148 8.287 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.469 -10.053 8.351 1.00 0.00 C ATOM 0 H VAL A 40 7.779 -8.237 7.613 1.00 0.00 H new ATOM 0 HA VAL A 40 7.911 -10.573 6.071 1.00 0.00 H new ATOM 0 HB VAL A 40 7.445 -10.231 9.039 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.631 -12.444 9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.130 -12.570 8.263 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.705 -12.518 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.913 -10.395 9.286 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.077 -10.395 7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.426 -8.964 8.347 1.00 0.00 H new ATOM 409 N ASP A 41 5.030 -10.332 7.731 1.00 0.00 N ATOM 410 CA ASP A 41 3.627 -10.782 7.780 1.00 0.00 C ATOM 411 C ASP A 41 2.907 -10.534 6.449 1.00 0.00 C ATOM 412 O ASP A 41 2.231 -11.422 5.928 1.00 0.00 O ATOM 413 CB ASP A 41 2.958 -10.052 8.945 1.00 0.00 C ATOM 414 CG ASP A 41 1.518 -10.497 9.256 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.233 -11.707 9.137 1.00 0.00 O ATOM 416 OD2 ASP A 41 0.770 -9.581 9.656 1.00 0.00 O ATOM 0 H ASP A 41 5.263 -9.645 8.448 1.00 0.00 H new ATOM 0 HA ASP A 41 3.576 -11.859 7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.566 -10.193 9.839 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.953 -8.984 8.729 1.00 0.00 H new ATOM 418 N ALA A 42 3.226 -9.390 5.847 1.00 0.00 N ATOM 419 CA ALA A 42 2.679 -8.945 4.547 1.00 0.00 C ATOM 420 C ALA A 42 3.067 -9.879 3.401 1.00 0.00 C ATOM 421 O ALA A 42 2.182 -10.445 2.774 1.00 0.00 O ATOM 422 CB ALA A 42 3.179 -7.532 4.258 1.00 0.00 C ATOM 0 H ALA A 42 3.886 -8.725 6.251 1.00 0.00 H new ATOM 0 HA ALA A 42 1.591 -8.961 4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.781 -7.194 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.845 -6.859 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.268 -7.532 4.218 1.00 0.00 H new ATOM 424 N LEU A 43 4.360 -10.194 3.286 1.00 0.00 N ATOM 425 CA LEU A 43 4.892 -11.098 2.248 1.00 0.00 C ATOM 426 C LEU A 43 4.181 -12.460 2.221 1.00 0.00 C ATOM 427 O LEU A 43 3.796 -12.933 1.161 1.00 0.00 O ATOM 428 CB LEU A 43 6.416 -11.283 2.372 1.00 0.00 C ATOM 429 CG LEU A 43 7.211 -10.038 1.937 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.686 -10.234 2.269 1.00 0.00 C ATOM 431 CD2 LEU A 43 7.068 -9.745 0.437 1.00 0.00 C ATOM 0 H LEU A 43 5.077 -9.829 3.913 1.00 0.00 H new ATOM 0 HA LEU A 43 4.685 -10.609 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.664 -11.523 3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.724 -12.134 1.765 1.00 0.00 H new ATOM 0 HG LEU A 43 6.802 -9.187 2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.249 -9.353 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.801 -10.381 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.065 -11.109 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.648 -8.858 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.436 -10.596 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.018 -9.573 0.198 1.00 0.00 H new ATOM 433 N ASN A 44 3.907 -12.977 3.418 1.00 0.00 N ATOM 434 CA ASN A 44 3.158 -14.243 3.605 1.00 0.00 C ATOM 435 C ASN A 44 1.691 -14.085 3.162 1.00 0.00 C ATOM 436 O ASN A 44 1.253 -14.729 2.205 1.00 0.00 O ATOM 437 CB ASN A 44 3.256 -14.678 5.068 1.00 0.00 C ATOM 438 CG ASN A 44 4.615 -15.330 5.368 1.00 0.00 C ATOM 439 OD1 ASN A 44 4.842 -16.506 5.128 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.566 -14.575 5.867 1.00 0.00 N ATOM 0 H ASN A 44 4.193 -12.538 4.293 1.00 0.00 H new ATOM 0 HA ASN A 44 3.600 -15.018 2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.114 -13.814 5.717 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.455 -15.382 5.295 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.488 -14.971 6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.383 -13.592 6.070 1.00 0.00 H new ATOM 444 N LYS A 45 1.024 -13.088 3.747 1.00 0.00 N ATOM 445 CA LYS A 45 -0.379 -12.727 3.466 1.00 0.00 C ATOM 446 C LYS A 45 -0.682 -12.380 1.994 1.00 0.00 C ATOM 447 O LYS A 45 -1.769 -12.656 1.510 1.00 0.00 O ATOM 448 CB LYS A 45 -0.840 -11.598 4.388 1.00 0.00 C ATOM 449 CG LYS A 45 -1.189 -12.141 5.773 1.00 0.00 C ATOM 450 CD LYS A 45 -1.822 -11.065 6.652 1.00 0.00 C ATOM 451 CE LYS A 45 -2.229 -11.618 8.020 1.00 0.00 C ATOM 452 NZ LYS A 45 -3.341 -12.576 7.900 1.00 0.00 N ATOM 0 H LYS A 45 1.453 -12.488 4.452 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.950 -13.633 3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.054 -10.848 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.709 -11.101 3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.876 -12.981 5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.288 -12.521 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.118 -10.244 6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.698 -10.654 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.374 -12.107 8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.522 -10.797 8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.717 -12.791 8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.094 -12.162 7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.998 -13.452 7.456 1.00 0.00 H new ATOM 457 N LEU A 46 0.301 -11.825 1.283 1.00 0.00 N ATOM 458 CA LEU A 46 0.175 -11.481 -0.151 1.00 0.00 C ATOM 459 C LEU A 46 -0.235 -12.672 -1.038 1.00 0.00 C ATOM 460 O LEU A 46 -1.093 -12.540 -1.912 1.00 0.00 O ATOM 461 CB LEU A 46 1.457 -10.821 -0.667 1.00 0.00 C ATOM 462 CG LEU A 46 1.519 -9.347 -0.247 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.946 -8.801 -0.304 1.00 0.00 C ATOM 464 CD2 LEU A 46 0.575 -8.491 -1.085 1.00 0.00 C ATOM 0 H LEU A 46 1.213 -11.597 1.678 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.643 -10.764 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.326 -11.351 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.498 -10.896 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 46 1.189 -9.296 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.948 -7.754 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.583 -9.376 0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.327 -8.883 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.643 -7.452 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.854 -8.564 -2.136 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.448 -8.845 -0.956 1.00 0.00 H new ATOM 466 N GLN A 47 0.306 -13.845 -0.712 1.00 0.00 N ATOM 467 CA GLN A 47 -0.034 -15.099 -1.417 1.00 0.00 C ATOM 468 C GLN A 47 -1.443 -15.645 -1.135 1.00 0.00 C ATOM 469 O GLN A 47 -1.937 -16.494 -1.886 1.00 0.00 O ATOM 470 CB GLN A 47 1.007 -16.202 -1.154 1.00 0.00 C ATOM 471 CG GLN A 47 2.271 -16.058 -2.011 1.00 0.00 C ATOM 472 CD GLN A 47 3.177 -14.926 -1.524 1.00 0.00 C ATOM 473 OE1 GLN A 47 3.119 -13.795 -1.956 1.00 0.00 O ATOM 474 NE2 GLN A 47 4.036 -15.238 -0.570 1.00 0.00 N ATOM 0 H GLN A 47 0.986 -13.962 0.039 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.021 -14.816 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.286 -16.185 -0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.553 -17.174 -1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.826 -16.996 -1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.986 -15.872 -3.047 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.077 -16.193 -0.213 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.658 -14.524 -0.190 1.00 0.00 H new ATOM 478 N ALA A 48 -2.147 -15.063 -0.157 1.00 0.00 N ATOM 479 CA ALA A 48 -3.505 -15.462 0.263 1.00 0.00 C ATOM 480 C ALA A 48 -4.668 -15.035 -0.675 1.00 0.00 C ATOM 481 O ALA A 48 -5.799 -14.797 -0.231 1.00 0.00 O ATOM 482 CB ALA A 48 -3.730 -15.010 1.713 1.00 0.00 C ATOM 0 H ALA A 48 -1.781 -14.278 0.383 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.537 -16.549 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.731 -15.300 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.991 -15.482 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.628 -13.927 1.776 1.00 0.00 H new ATOM 484 N GLY A 49 -4.384 -15.035 -1.973 1.00 0.00 N ATOM 485 CA GLY A 49 -5.360 -14.714 -3.035 1.00 0.00 C ATOM 486 C GLY A 49 -5.420 -13.262 -3.545 1.00 0.00 C ATOM 487 O GLY A 49 -5.806 -12.333 -2.837 1.00 0.00 O ATOM 0 H GLY A 49 -3.457 -15.260 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.150 -15.359 -3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.352 -14.981 -2.670 1.00 0.00 H new ATOM 489 N GLY A 50 -5.065 -13.158 -4.821 1.00 0.00 N ATOM 490 CA GLY A 50 -5.054 -11.967 -5.703 1.00 0.00 C ATOM 491 C GLY A 50 -4.886 -10.534 -5.151 1.00 0.00 C ATOM 492 O GLY A 50 -5.564 -9.646 -5.664 1.00 0.00 O ATOM 0 H GLY A 50 -4.743 -13.983 -5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.253 -12.120 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.991 -11.980 -6.259 1.00 0.00 H new ATOM 494 N TYR A 51 -3.912 -10.300 -4.277 1.00 0.00 N ATOM 495 CA TYR A 51 -3.645 -8.941 -3.750 1.00 0.00 C ATOM 496 C TYR A 51 -2.948 -8.029 -4.766 1.00 0.00 C ATOM 497 O TYR A 51 -1.730 -7.822 -4.746 1.00 0.00 O ATOM 498 CB TYR A 51 -2.870 -8.919 -2.431 1.00 0.00 C ATOM 499 CG TYR A 51 -3.657 -9.531 -1.284 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.562 -8.709 -0.579 1.00 0.00 C ATOM 501 CD2 TYR A 51 -3.531 -10.912 -1.002 1.00 0.00 C ATOM 502 CE1 TYR A 51 -5.381 -9.287 0.417 1.00 0.00 C ATOM 503 CE2 TYR A 51 -4.339 -11.481 -0.011 1.00 0.00 C ATOM 504 CZ TYR A 51 -5.261 -10.673 0.677 1.00 0.00 C ATOM 505 OH TYR A 51 -6.105 -11.256 1.568 1.00 0.00 O ATOM 0 H TYR A 51 -3.290 -11.022 -3.912 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.642 -8.548 -3.550 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.933 -9.462 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.612 -7.890 -2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.628 -7.653 -0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.821 -11.519 -1.544 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.085 -8.683 0.969 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.255 -12.532 0.223 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.898 -12.211 1.638 1.00 0.00 H new ATOM 508 N GLY A 52 -3.792 -7.383 -5.558 1.00 0.00 N ATOM 509 CA GLY A 52 -3.384 -6.441 -6.617 1.00 0.00 C ATOM 510 C GLY A 52 -3.225 -5.014 -6.074 1.00 0.00 C ATOM 511 O GLY A 52 -3.567 -4.064 -6.779 1.00 0.00 O ATOM 0 H GLY A 52 -4.804 -7.494 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.442 -6.771 -7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.126 -6.446 -7.415 1.00 0.00 H new ATOM 513 N PHE A 53 -2.856 -4.915 -4.794 1.00 0.00 N ATOM 514 CA PHE A 53 -2.608 -3.641 -4.084 1.00 0.00 C ATOM 515 C PHE A 53 -2.086 -3.844 -2.660 1.00 0.00 C ATOM 516 O PHE A 53 -2.646 -4.574 -1.841 1.00 0.00 O ATOM 517 CB PHE A 53 -3.845 -2.746 -4.010 1.00 0.00 C ATOM 518 CG PHE A 53 -3.461 -1.280 -4.222 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.805 -0.561 -3.192 1.00 0.00 C ATOM 520 CD2 PHE A 53 -3.622 -0.718 -5.515 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.277 0.718 -3.471 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.096 0.559 -5.780 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.427 1.266 -4.764 1.00 0.00 C ATOM 0 H PHE A 53 -2.716 -5.734 -4.202 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.843 -3.149 -4.685 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.568 -3.052 -4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.329 -2.864 -3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.710 -0.987 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.143 -1.265 -6.287 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.762 1.274 -2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.205 0.996 -6.761 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.021 2.244 -4.976 1.00 0.00 H new ATOM 525 N VAL A 54 -1.021 -3.090 -2.397 1.00 0.00 N ATOM 526 CA VAL A 54 -0.327 -3.067 -1.082 1.00 0.00 C ATOM 527 C VAL A 54 -0.222 -1.610 -0.600 1.00 0.00 C ATOM 528 O VAL A 54 0.359 -0.751 -1.272 1.00 0.00 O ATOM 529 CB VAL A 54 1.084 -3.675 -1.172 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.642 -3.916 0.238 1.00 0.00 C ATOM 531 CG2 VAL A 54 1.119 -5.015 -1.916 1.00 0.00 C ATOM 0 H VAL A 54 -0.601 -2.467 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.906 -3.666 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 54 1.684 -2.955 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.641 -4.346 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.693 -2.969 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.989 -4.604 0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.142 -5.389 -1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.484 -5.735 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.756 -4.875 -2.934 1.00 0.00 H new ATOM 533 N ILE A 55 -0.816 -1.357 0.549 1.00 0.00 N ATOM 534 CA ILE A 55 -0.779 -0.032 1.215 1.00 0.00 C ATOM 535 C ILE A 55 0.094 -0.244 2.455 1.00 0.00 C ATOM 536 O ILE A 55 -0.303 -0.929 3.386 1.00 0.00 O ATOM 537 CB ILE A 55 -2.204 0.481 1.522 1.00 0.00 C ATOM 538 CG1 ILE A 55 -2.961 0.765 0.219 1.00 0.00 C ATOM 539 CG2 ILE A 55 -2.131 1.737 2.407 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.446 1.108 0.392 1.00 0.00 C ATOM 0 H ILE A 55 -1.347 -2.058 1.066 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.356 0.753 0.588 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.751 -0.289 2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.471 1.591 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.878 -0.108 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.140 2.092 2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.628 1.494 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.574 2.516 1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.893 1.292 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.958 0.275 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.544 2.001 1.010 1.00 0.00 H new ATOM 542 N SER A 56 1.322 0.272 2.397 1.00 0.00 N ATOM 543 CA SER A 56 2.270 0.078 3.520 1.00 0.00 C ATOM 544 C SER A 56 2.896 1.314 4.153 1.00 0.00 C ATOM 545 O SER A 56 3.421 2.217 3.500 1.00 0.00 O ATOM 546 CB SER A 56 3.345 -0.934 3.145 1.00 0.00 C ATOM 547 OG SER A 56 4.269 -1.125 4.222 1.00 0.00 O ATOM 0 H SER A 56 1.686 0.814 1.613 1.00 0.00 H new ATOM 0 HA SER A 56 1.625 -0.298 4.315 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.880 -1.885 2.888 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.880 -0.591 2.259 1.00 0.00 H new ATOM 0 HG SER A 56 3.781 -1.391 5.029 1.00 0.00 H new ATOM 550 N ASP A 57 2.834 1.272 5.475 1.00 0.00 N ATOM 551 CA ASP A 57 3.375 2.302 6.375 1.00 0.00 C ATOM 552 C ASP A 57 4.907 2.206 6.402 1.00 0.00 C ATOM 553 O ASP A 57 5.477 1.134 6.614 1.00 0.00 O ATOM 554 CB ASP A 57 2.801 2.053 7.778 1.00 0.00 C ATOM 555 CG ASP A 57 3.055 3.151 8.813 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.206 3.640 8.878 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.092 3.445 9.544 1.00 0.00 O ATOM 0 H ASP A 57 2.394 0.500 5.975 1.00 0.00 H new ATOM 0 HA ASP A 57 3.099 3.299 6.031 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.724 1.909 7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.217 1.120 8.158 1.00 0.00 H new ATOM 559 N TRP A 58 5.544 3.365 6.267 1.00 0.00 N ATOM 560 CA TRP A 58 7.012 3.487 6.275 1.00 0.00 C ATOM 561 C TRP A 58 7.667 2.877 7.534 1.00 0.00 C ATOM 562 O TRP A 58 8.446 1.934 7.422 1.00 0.00 O ATOM 563 CB TRP A 58 7.373 4.971 6.147 1.00 0.00 C ATOM 564 CG TRP A 58 8.761 5.164 5.535 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.903 5.313 6.199 1.00 0.00 C ATOM 566 CD2 TRP A 58 9.045 5.285 4.180 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.899 5.542 5.338 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.436 5.531 4.098 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.265 5.168 3.015 1.00 0.00 C ATOM 570 CZ2 TRP A 58 11.058 5.677 2.840 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.898 5.293 1.764 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.280 5.546 1.674 1.00 0.00 C ATOM 0 H TRP A 58 5.061 4.255 6.148 1.00 0.00 H new ATOM 0 HA TRP A 58 7.403 2.917 5.432 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.630 5.475 5.529 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.340 5.440 7.131 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.010 5.257 7.272 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.872 5.702 5.598 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.202 4.986 3.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.115 5.886 2.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.315 5.193 0.860 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.746 5.640 0.704 1.00 0.00 H new ATOM 575 N ASN A 59 7.144 3.241 8.698 1.00 0.00 N ATOM 576 CA ASN A 59 7.662 2.773 9.998 1.00 0.00 C ATOM 577 C ASN A 59 7.007 1.478 10.539 1.00 0.00 C ATOM 578 O ASN A 59 6.190 1.479 11.457 1.00 0.00 O ATOM 579 CB ASN A 59 7.651 3.914 11.024 1.00 0.00 C ATOM 580 CG ASN A 59 6.345 4.721 11.065 1.00 0.00 C ATOM 581 OD1 ASN A 59 6.157 5.686 10.339 1.00 0.00 O ATOM 582 ND2 ASN A 59 5.369 4.255 11.823 1.00 0.00 N ATOM 0 H ASN A 59 6.346 3.871 8.778 1.00 0.00 H new ATOM 0 HA ASN A 59 8.695 2.476 9.817 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.837 3.497 12.014 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.475 4.592 10.803 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.452 4.701 11.805 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.532 3.449 12.427 1.00 0.00 H new ATOM 586 N MET A 60 7.511 0.353 10.025 1.00 0.00 N ATOM 587 CA MET A 60 7.034 -0.996 10.411 1.00 0.00 C ATOM 588 C MET A 60 8.140 -1.830 11.094 1.00 0.00 C ATOM 589 O MET A 60 9.283 -1.780 10.641 1.00 0.00 O ATOM 590 CB MET A 60 6.489 -1.765 9.196 1.00 0.00 C ATOM 591 CG MET A 60 5.244 -1.130 8.593 1.00 0.00 C ATOM 592 SD MET A 60 4.397 -2.180 7.363 1.00 0.00 S ATOM 593 CE MET A 60 5.736 -2.722 6.309 1.00 0.00 C ATOM 0 H MET A 60 8.259 0.341 9.331 1.00 0.00 H new ATOM 0 HA MET A 60 6.228 -0.843 11.128 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.265 -1.823 8.433 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.259 -2.788 9.495 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.545 -0.892 9.395 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.521 -0.187 8.121 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.329 -3.248 5.445 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.307 -1.857 5.972 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.390 -3.393 6.867 1.00 0.00 H new ATOM 595 N PRO A 61 7.816 -2.567 12.173 1.00 0.00 N ATOM 596 CA PRO A 61 8.773 -3.412 12.914 1.00 0.00 C ATOM 597 C PRO A 61 9.427 -4.456 12.013 1.00 0.00 C ATOM 598 O PRO A 61 8.755 -5.099 11.205 1.00 0.00 O ATOM 599 CB PRO A 61 7.938 -4.094 14.004 1.00 0.00 C ATOM 600 CG PRO A 61 6.828 -3.087 14.273 1.00 0.00 C ATOM 601 CD PRO A 61 6.520 -2.534 12.881 1.00 0.00 C ATOM 0 HA PRO A 61 9.590 -2.817 13.322 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.540 -5.051 13.667 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.528 -4.291 14.899 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.954 -3.560 14.722 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.152 -2.302 14.956 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.773 -3.141 12.369 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.124 -1.520 12.936 1.00 0.00 H new ATOM 602 N ASN A 62 10.724 -4.641 12.236 1.00 0.00 N ATOM 603 CA ASN A 62 11.621 -5.567 11.496 1.00 0.00 C ATOM 604 C ASN A 62 11.782 -5.173 10.012 1.00 0.00 C ATOM 605 O ASN A 62 12.769 -4.533 9.663 1.00 0.00 O ATOM 606 CB ASN A 62 11.231 -7.047 11.692 1.00 0.00 C ATOM 607 CG ASN A 62 12.232 -7.984 11.007 1.00 0.00 C ATOM 608 OD1 ASN A 62 12.025 -8.451 9.900 1.00 0.00 O ATOM 609 ND2 ASN A 62 13.375 -8.216 11.627 1.00 0.00 N ATOM 0 H ASN A 62 11.217 -4.132 12.970 1.00 0.00 H new ATOM 0 HA ASN A 62 12.611 -5.460 11.939 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.187 -7.275 12.757 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.234 -7.219 11.287 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.091 -8.789 11.180 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.542 -7.822 12.553 1.00 0.00 H new ATOM 613 N MET A 63 10.736 -5.406 9.214 1.00 0.00 N ATOM 614 CA MET A 63 10.753 -5.079 7.782 1.00 0.00 C ATOM 615 C MET A 63 9.793 -3.894 7.546 1.00 0.00 C ATOM 616 O MET A 63 8.569 -4.017 7.678 1.00 0.00 O ATOM 617 CB MET A 63 10.374 -6.327 6.987 1.00 0.00 C ATOM 618 CG MET A 63 10.664 -6.163 5.493 1.00 0.00 C ATOM 619 SD MET A 63 10.118 -7.572 4.456 1.00 0.00 S ATOM 620 CE MET A 63 11.266 -8.827 4.968 1.00 0.00 C ATOM 0 H MET A 63 9.862 -5.822 9.536 1.00 0.00 H new ATOM 0 HA MET A 63 11.743 -4.774 7.444 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.927 -7.184 7.372 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.315 -6.540 7.130 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.175 -5.256 5.138 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.736 -6.022 5.357 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.833 -9.176 4.105 1.00 0.00 H new ATOM 0 HE2 MET A 63 11.951 -8.414 5.708 1.00 0.00 H new ATOM 0 HE3 MET A 63 10.720 -9.663 5.406 1.00 0.00 H new ATOM 622 N ASP A 64 10.432 -2.735 7.476 1.00 0.00 N ATOM 623 CA ASP A 64 9.756 -1.427 7.248 1.00 0.00 C ATOM 624 C ASP A 64 9.083 -1.334 5.870 1.00 0.00 C ATOM 625 O ASP A 64 9.473 -2.064 4.963 1.00 0.00 O ATOM 626 CB ASP A 64 10.746 -0.278 7.489 1.00 0.00 C ATOM 627 CG ASP A 64 11.896 -0.197 6.467 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.576 0.082 5.293 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.040 -0.436 6.871 1.00 0.00 O ATOM 0 H ASP A 64 11.444 -2.655 7.574 1.00 0.00 H new ATOM 0 HA ASP A 64 8.944 -1.342 7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.199 0.664 7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.171 -0.386 8.487 1.00 0.00 H new ATOM 631 N GLY A 65 8.250 -0.306 5.669 1.00 0.00 N ATOM 632 CA GLY A 65 7.497 -0.055 4.421 1.00 0.00 C ATOM 633 C GLY A 65 8.350 -0.116 3.141 1.00 0.00 C ATOM 634 O GLY A 65 8.115 -0.937 2.263 1.00 0.00 O ATOM 0 H GLY A 65 8.072 0.397 6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.693 -0.787 4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.029 0.927 4.485 1.00 0.00 H new ATOM 636 N LEU A 66 9.439 0.652 3.151 1.00 0.00 N ATOM 637 CA LEU A 66 10.392 0.712 2.028 1.00 0.00 C ATOM 638 C LEU A 66 11.009 -0.665 1.701 1.00 0.00 C ATOM 639 O LEU A 66 11.078 -1.060 0.538 1.00 0.00 O ATOM 640 CB LEU A 66 11.431 1.781 2.395 1.00 0.00 C ATOM 641 CG LEU A 66 12.470 2.002 1.302 1.00 0.00 C ATOM 642 CD1 LEU A 66 11.881 2.509 -0.017 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.508 3.032 1.765 1.00 0.00 C ATOM 0 H LEU A 66 9.691 1.253 3.936 1.00 0.00 H new ATOM 0 HA LEU A 66 9.888 0.989 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.920 2.722 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.936 1.488 3.315 1.00 0.00 H new ATOM 0 HG LEU A 66 12.915 1.023 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.681 2.642 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.162 1.784 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.381 3.463 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.246 3.184 0.978 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.011 3.977 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.006 2.668 2.664 1.00 0.00 H new ATOM 645 N GLU A 67 11.341 -1.437 2.741 1.00 0.00 N ATOM 646 CA GLU A 67 11.874 -2.809 2.577 1.00 0.00 C ATOM 647 C GLU A 67 10.818 -3.757 1.991 1.00 0.00 C ATOM 648 O GLU A 67 11.084 -4.439 1.008 1.00 0.00 O ATOM 649 CB GLU A 67 12.397 -3.379 3.895 1.00 0.00 C ATOM 650 CG GLU A 67 13.678 -2.716 4.391 1.00 0.00 C ATOM 651 CD GLU A 67 14.102 -3.352 5.717 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.345 -3.167 6.693 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.153 -4.034 5.707 1.00 0.00 O ATOM 0 H GLU A 67 11.252 -1.140 3.713 1.00 0.00 H new ATOM 0 HA GLU A 67 12.707 -2.733 1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.625 -3.272 4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.577 -4.447 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.470 -2.831 3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.518 -1.646 4.523 1.00 0.00 H new ATOM 655 N LEU A 68 9.584 -3.649 2.507 1.00 0.00 N ATOM 656 CA LEU A 68 8.419 -4.426 2.034 1.00 0.00 C ATOM 657 C LEU A 68 8.192 -4.217 0.520 1.00 0.00 C ATOM 658 O LEU A 68 8.173 -5.182 -0.238 1.00 0.00 O ATOM 659 CB LEU A 68 7.208 -4.068 2.912 1.00 0.00 C ATOM 660 CG LEU A 68 5.844 -4.687 2.546 1.00 0.00 C ATOM 661 CD1 LEU A 68 5.093 -3.806 1.556 1.00 0.00 C ATOM 662 CD2 LEU A 68 5.910 -6.175 2.162 1.00 0.00 C ATOM 0 H LEU A 68 9.361 -3.014 3.273 1.00 0.00 H new ATOM 0 HA LEU A 68 8.594 -5.497 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.441 -4.355 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.097 -2.984 2.902 1.00 0.00 H new ATOM 0 HG LEU A 68 5.246 -4.704 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.134 -4.265 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.924 -2.824 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.683 -3.697 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.909 -6.533 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.560 -6.299 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.307 -6.749 2.999 1.00 0.00 H new ATOM 664 N LEU A 69 8.221 -2.947 0.124 1.00 0.00 N ATOM 665 CA LEU A 69 8.120 -2.470 -1.271 1.00 0.00 C ATOM 666 C LEU A 69 9.109 -3.259 -2.156 1.00 0.00 C ATOM 667 O LEU A 69 8.695 -4.063 -2.992 1.00 0.00 O ATOM 668 CB LEU A 69 8.486 -0.990 -1.147 1.00 0.00 C ATOM 669 CG LEU A 69 8.247 -0.066 -2.344 1.00 0.00 C ATOM 670 CD1 LEU A 69 8.602 1.359 -1.904 1.00 0.00 C ATOM 671 CD2 LEU A 69 9.072 -0.420 -3.574 1.00 0.00 C ATOM 0 H LEU A 69 8.320 -2.180 0.789 1.00 0.00 H new ATOM 0 HA LEU A 69 7.144 -2.608 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.932 -0.583 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.544 -0.932 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 69 7.203 -0.171 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.443 2.047 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.968 1.650 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.647 1.395 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.846 0.281 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.133 -0.362 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.829 -1.433 -3.896 1.00 0.00 H new ATOM 673 N LYS A 70 10.375 -3.217 -1.746 1.00 0.00 N ATOM 674 CA LYS A 70 11.498 -3.895 -2.421 1.00 0.00 C ATOM 675 C LYS A 70 11.329 -5.430 -2.475 1.00 0.00 C ATOM 676 O LYS A 70 11.499 -6.019 -3.539 1.00 0.00 O ATOM 677 CB LYS A 70 12.772 -3.472 -1.680 1.00 0.00 C ATOM 678 CG LYS A 70 14.056 -3.844 -2.428 1.00 0.00 C ATOM 679 CD LYS A 70 15.297 -3.246 -1.757 1.00 0.00 C ATOM 680 CE LYS A 70 15.405 -1.717 -1.906 1.00 0.00 C ATOM 681 NZ LYS A 70 15.628 -1.353 -3.313 1.00 0.00 N ATOM 0 H LYS A 70 10.663 -2.700 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 70 11.544 -3.597 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.751 -2.394 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.784 -3.939 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.152 -4.929 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.993 -3.491 -3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.283 -3.499 -0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.188 -3.708 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.493 -1.245 -1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.225 -1.343 -1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.900 -0.351 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.388 -1.942 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.754 -1.508 -3.854 1.00 0.00 H new ATOM 686 N THR A 71 10.921 -6.035 -1.364 1.00 0.00 N ATOM 687 CA THR A 71 10.651 -7.504 -1.244 1.00 0.00 C ATOM 688 C THR A 71 9.567 -8.001 -2.213 1.00 0.00 C ATOM 689 O THR A 71 9.520 -9.193 -2.520 1.00 0.00 O ATOM 690 CB THR A 71 10.479 -7.945 0.198 1.00 0.00 C ATOM 691 OG1 THR A 71 9.533 -7.157 0.923 1.00 0.00 O ATOM 692 CG2 THR A 71 11.837 -7.947 0.909 1.00 0.00 C ATOM 0 H THR A 71 10.759 -5.528 -0.494 1.00 0.00 H new ATOM 0 HA THR A 71 11.550 -8.020 -1.581 1.00 0.00 H new ATOM 0 HB THR A 71 10.073 -8.956 0.173 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.027 -6.596 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.706 -8.265 1.943 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.513 -8.635 0.401 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.260 -6.943 0.889 1.00 0.00 H new ATOM 695 N ILE A 72 8.718 -7.082 -2.680 1.00 0.00 N ATOM 696 CA ILE A 72 7.665 -7.359 -3.691 1.00 0.00 C ATOM 697 C ILE A 72 8.271 -7.121 -5.091 1.00 0.00 C ATOM 698 O ILE A 72 8.500 -8.075 -5.823 1.00 0.00 O ATOM 699 CB ILE A 72 6.427 -6.466 -3.459 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.875 -6.630 -2.043 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.330 -6.786 -4.495 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.105 -5.395 -1.567 1.00 0.00 C ATOM 0 H ILE A 72 8.733 -6.110 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 72 7.328 -8.392 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 72 6.741 -5.429 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.217 -7.499 -2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.698 -6.828 -1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.464 -6.148 -4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.714 -6.605 -5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.035 -7.831 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.735 -5.565 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.768 -4.529 -1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.264 -5.211 -2.235 1.00 0.00 H new ATOM 704 N ARG A 73 8.752 -5.889 -5.303 1.00 0.00 N ATOM 705 CA ARG A 73 9.376 -5.381 -6.540 1.00 0.00 C ATOM 706 C ARG A 73 10.456 -6.314 -7.135 1.00 0.00 C ATOM 707 O ARG A 73 10.471 -6.582 -8.334 1.00 0.00 O ATOM 708 CB ARG A 73 9.934 -3.975 -6.306 1.00 0.00 C ATOM 709 CG ARG A 73 8.942 -2.899 -6.760 1.00 0.00 C ATOM 710 CD ARG A 73 7.619 -2.903 -5.988 1.00 0.00 C ATOM 711 NE ARG A 73 6.700 -1.937 -6.625 1.00 0.00 N ATOM 712 CZ ARG A 73 5.507 -2.204 -7.151 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.160 -3.420 -7.537 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.800 -1.213 -7.648 1.00 0.00 N ATOM 0 H ARG A 73 8.716 -5.175 -4.575 1.00 0.00 H new ATOM 0 HA ARG A 73 8.585 -5.345 -7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.159 -3.842 -5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.873 -3.859 -6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.410 -1.920 -6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.732 -3.038 -7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.181 -3.901 -5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.788 -2.634 -4.945 1.00 0.00 H new ATOM 0 HE ARG A 73 7.012 -0.967 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.817 -4.194 -7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.236 -3.584 -7.936 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.169 -0.262 -7.626 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.883 -1.395 -8.056 1.00 0.00 H new ATOM 721 N ALA A 74 11.329 -6.816 -6.258 1.00 0.00 N ATOM 722 CA ALA A 74 12.436 -7.727 -6.632 1.00 0.00 C ATOM 723 C ALA A 74 12.070 -9.230 -6.672 1.00 0.00 C ATOM 724 O ALA A 74 12.813 -10.036 -7.240 1.00 0.00 O ATOM 725 CB ALA A 74 13.600 -7.501 -5.662 1.00 0.00 C ATOM 0 H ALA A 74 11.295 -6.606 -5.260 1.00 0.00 H new ATOM 0 HA ALA A 74 12.703 -7.478 -7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.425 -8.164 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.933 -6.465 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.272 -7.713 -4.644 1.00 0.00 H new ATOM 727 N ASP A 75 10.899 -9.595 -6.152 1.00 0.00 N ATOM 728 CA ASP A 75 10.441 -10.994 -6.099 1.00 0.00 C ATOM 729 C ASP A 75 9.785 -11.390 -7.430 1.00 0.00 C ATOM 730 O ASP A 75 8.581 -11.202 -7.597 1.00 0.00 O ATOM 731 CB ASP A 75 9.477 -11.161 -4.918 1.00 0.00 C ATOM 732 CG ASP A 75 9.007 -12.602 -4.678 1.00 0.00 C ATOM 733 OD1 ASP A 75 8.399 -13.184 -5.615 1.00 0.00 O ATOM 734 OD2 ASP A 75 9.293 -13.119 -3.579 1.00 0.00 O ATOM 0 H ASP A 75 10.235 -8.931 -5.753 1.00 0.00 H new ATOM 0 HA ASP A 75 11.291 -11.659 -5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.964 -10.796 -4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.604 -10.531 -5.086 1.00 0.00 H new ATOM 736 N GLY A 76 10.597 -11.966 -8.314 1.00 0.00 N ATOM 737 CA GLY A 76 10.215 -12.479 -9.665 1.00 0.00 C ATOM 738 C GLY A 76 8.705 -12.604 -9.951 1.00 0.00 C ATOM 739 O GLY A 76 8.129 -11.737 -10.597 1.00 0.00 O ATOM 0 H GLY A 76 11.588 -12.103 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.651 -11.820 -10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.670 -13.460 -9.799 1.00 0.00 H new ATOM 741 N ALA A 77 8.082 -13.574 -9.290 1.00 0.00 N ATOM 742 CA ALA A 77 6.642 -13.874 -9.408 1.00 0.00 C ATOM 743 C ALA A 77 5.690 -12.738 -8.953 1.00 0.00 C ATOM 744 O ALA A 77 4.826 -12.311 -9.715 1.00 0.00 O ATOM 745 CB ALA A 77 6.331 -15.163 -8.649 1.00 0.00 C ATOM 0 H ALA A 77 8.567 -14.193 -8.640 1.00 0.00 H new ATOM 0 HA ALA A 77 6.448 -13.987 -10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.268 -15.388 -8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.910 -15.983 -9.073 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.593 -15.039 -7.598 1.00 0.00 H new ATOM 747 N MET A 78 5.950 -12.205 -7.759 1.00 0.00 N ATOM 748 CA MET A 78 5.166 -11.133 -7.102 1.00 0.00 C ATOM 749 C MET A 78 5.366 -9.691 -7.643 1.00 0.00 C ATOM 750 O MET A 78 4.518 -8.834 -7.435 1.00 0.00 O ATOM 751 CB MET A 78 5.513 -11.121 -5.612 1.00 0.00 C ATOM 752 CG MET A 78 5.060 -12.377 -4.867 1.00 0.00 C ATOM 753 SD MET A 78 5.729 -12.490 -3.162 1.00 0.00 S ATOM 754 CE MET A 78 4.978 -11.061 -2.410 1.00 0.00 C ATOM 0 H MET A 78 6.741 -12.513 -7.193 1.00 0.00 H new ATOM 0 HA MET A 78 4.127 -11.383 -7.316 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.592 -11.012 -5.500 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.054 -10.248 -5.148 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.971 -12.393 -4.824 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.370 -13.257 -5.431 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.127 -11.097 -1.331 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.436 -10.156 -2.809 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.910 -11.054 -2.629 1.00 0.00 H new ATOM 756 N SER A 79 6.542 -9.441 -8.212 1.00 0.00 N ATOM 757 CA SER A 79 7.007 -8.145 -8.778 1.00 0.00 C ATOM 758 C SER A 79 6.023 -6.980 -8.977 1.00 0.00 C ATOM 759 O SER A 79 6.073 -6.020 -8.222 1.00 0.00 O ATOM 760 CB SER A 79 7.793 -8.374 -10.078 1.00 0.00 C ATOM 761 OG SER A 79 8.859 -9.298 -9.863 1.00 0.00 O ATOM 0 H SER A 79 7.249 -10.170 -8.304 1.00 0.00 H new ATOM 0 HA SER A 79 7.618 -7.781 -7.952 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.125 -8.754 -10.851 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.193 -7.427 -10.440 1.00 0.00 H new ATOM 0 HG SER A 79 8.730 -10.084 -10.433 1.00 0.00 H new ATOM 764 N ALA A 80 5.002 -7.194 -9.811 1.00 0.00 N ATOM 765 CA ALA A 80 4.026 -6.171 -10.219 1.00 0.00 C ATOM 766 C ALA A 80 2.813 -5.830 -9.314 1.00 0.00 C ATOM 767 O ALA A 80 1.812 -5.293 -9.802 1.00 0.00 O ATOM 768 CB ALA A 80 3.584 -6.524 -11.646 1.00 0.00 C ATOM 0 H ALA A 80 4.824 -8.105 -10.234 1.00 0.00 H new ATOM 0 HA ALA A 80 4.568 -5.230 -10.127 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.857 -5.790 -11.994 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.450 -6.518 -12.307 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.131 -7.515 -11.652 1.00 0.00 H new ATOM 770 N LEU A 81 2.932 -5.985 -7.995 1.00 0.00 N ATOM 771 CA LEU A 81 1.817 -5.653 -7.065 1.00 0.00 C ATOM 772 C LEU A 81 1.916 -4.178 -6.625 1.00 0.00 C ATOM 773 O LEU A 81 2.770 -3.863 -5.801 1.00 0.00 O ATOM 774 CB LEU A 81 1.778 -6.575 -5.833 1.00 0.00 C ATOM 775 CG LEU A 81 1.706 -8.073 -6.171 1.00 0.00 C ATOM 776 CD1 LEU A 81 1.844 -8.886 -4.874 1.00 0.00 C ATOM 777 CD2 LEU A 81 0.444 -8.463 -6.936 1.00 0.00 C ATOM 0 H LEU A 81 3.774 -6.333 -7.536 1.00 0.00 H new ATOM 0 HA LEU A 81 0.886 -5.812 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.666 -6.392 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.916 -6.310 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 81 2.532 -8.300 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.794 -9.950 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.801 -8.661 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.035 -8.624 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.459 -9.533 -7.141 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.434 -8.221 -6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.404 -7.914 -7.877 1.00 0.00 H new ATOM 779 N PRO A 82 1.034 -3.287 -7.128 1.00 0.00 N ATOM 780 CA PRO A 82 1.073 -1.839 -6.822 1.00 0.00 C ATOM 781 C PRO A 82 1.225 -1.501 -5.334 1.00 0.00 C ATOM 782 O PRO A 82 0.459 -1.952 -4.483 1.00 0.00 O ATOM 783 CB PRO A 82 -0.202 -1.228 -7.409 1.00 0.00 C ATOM 784 CG PRO A 82 -1.097 -2.419 -7.728 1.00 0.00 C ATOM 785 CD PRO A 82 -0.144 -3.600 -7.952 1.00 0.00 C ATOM 0 HA PRO A 82 1.971 -1.415 -7.271 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.680 -0.554 -6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.015 -0.646 -8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.787 -2.622 -6.909 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.702 -2.229 -8.615 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.601 -4.542 -7.648 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.123 -3.700 -9.004 1.00 0.00 H new ATOM 786 N VAL A 83 2.152 -0.577 -5.106 1.00 0.00 N ATOM 787 CA VAL A 83 2.547 -0.134 -3.747 1.00 0.00 C ATOM 788 C VAL A 83 2.284 1.356 -3.468 1.00 0.00 C ATOM 789 O VAL A 83 2.838 2.245 -4.104 1.00 0.00 O ATOM 790 CB VAL A 83 4.035 -0.477 -3.502 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.459 -0.155 -2.067 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.349 -1.963 -3.709 1.00 0.00 C ATOM 0 H VAL A 83 2.661 -0.104 -5.853 1.00 0.00 H new ATOM 0 HA VAL A 83 1.911 -0.677 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 83 4.577 0.129 -4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.510 -0.409 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.315 0.908 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.854 -0.734 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.408 -2.140 -3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.754 -2.560 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.109 -2.246 -4.734 1.00 0.00 H new ATOM 794 N LEU A 84 1.595 1.567 -2.344 1.00 0.00 N ATOM 795 CA LEU A 84 1.265 2.889 -1.799 1.00 0.00 C ATOM 796 C LEU A 84 1.951 3.069 -0.431 1.00 0.00 C ATOM 797 O LEU A 84 1.676 2.328 0.517 1.00 0.00 O ATOM 798 CB LEU A 84 -0.251 3.057 -1.686 1.00 0.00 C ATOM 799 CG LEU A 84 -0.700 4.438 -1.187 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.371 5.539 -2.195 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.209 4.438 -0.963 1.00 0.00 C ATOM 0 H LEU A 84 1.240 0.802 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 84 1.633 3.661 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.699 2.874 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.639 2.296 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.166 4.637 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.704 6.501 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.706 5.569 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.879 5.334 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.524 5.419 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.716 4.210 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.466 3.684 -0.219 1.00 0.00 H new ATOM 803 N MET A 85 2.963 3.930 -0.421 1.00 0.00 N ATOM 804 CA MET A 85 3.754 4.236 0.788 1.00 0.00 C ATOM 805 C MET A 85 3.117 5.287 1.699 1.00 0.00 C ATOM 806 O MET A 85 2.954 6.451 1.351 1.00 0.00 O ATOM 807 CB MET A 85 5.188 4.631 0.399 1.00 0.00 C ATOM 808 CG MET A 85 6.031 3.404 0.048 1.00 0.00 C ATOM 809 SD MET A 85 6.469 2.412 1.522 1.00 0.00 S ATOM 810 CE MET A 85 5.683 0.869 1.105 1.00 0.00 C ATOM 0 H MET A 85 3.267 4.442 -1.249 1.00 0.00 H new ATOM 0 HA MET A 85 3.778 3.321 1.380 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.161 5.311 -0.452 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.654 5.171 1.223 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.482 2.779 -0.657 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.943 3.725 -0.454 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.838 0.152 1.911 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.614 1.031 0.964 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.115 0.478 0.184 1.00 0.00 H new ATOM 812 N VAL A 86 2.750 4.820 2.890 1.00 0.00 N ATOM 813 CA VAL A 86 2.152 5.715 3.896 1.00 0.00 C ATOM 814 C VAL A 86 3.310 6.176 4.791 1.00 0.00 C ATOM 815 O VAL A 86 3.801 5.477 5.674 1.00 0.00 O ATOM 816 CB VAL A 86 1.023 5.113 4.733 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.205 6.270 5.302 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.054 4.238 3.923 1.00 0.00 C ATOM 0 H VAL A 86 2.850 3.849 3.185 1.00 0.00 H new ATOM 0 HA VAL A 86 1.659 6.534 3.373 1.00 0.00 H new ATOM 0 HB VAL A 86 1.486 4.483 5.493 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.612 5.875 5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.845 6.898 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.203 6.864 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.720 3.845 4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.408 4.837 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.601 3.410 3.473 1.00 0.00 H new ATOM 820 N THR A 87 3.751 7.368 4.447 1.00 0.00 N ATOM 821 CA THR A 87 4.914 8.022 5.071 1.00 0.00 C ATOM 822 C THR A 87 4.551 9.180 6.002 1.00 0.00 C ATOM 823 O THR A 87 3.568 9.895 5.802 1.00 0.00 O ATOM 824 CB THR A 87 6.008 8.371 4.028 1.00 0.00 C ATOM 825 OG1 THR A 87 7.010 9.221 4.617 1.00 0.00 O ATOM 826 CG2 THR A 87 5.470 8.913 2.691 1.00 0.00 C ATOM 0 H THR A 87 3.314 7.930 3.716 1.00 0.00 H new ATOM 0 HA THR A 87 5.356 7.283 5.740 1.00 0.00 H new ATOM 0 HB THR A 87 6.479 7.429 3.748 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.771 9.302 4.005 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.304 9.130 2.024 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.822 8.167 2.231 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.903 9.826 2.871 1.00 0.00 H new ATOM 829 N ALA A 88 5.356 9.280 7.068 1.00 0.00 N ATOM 830 CA ALA A 88 5.227 10.285 8.142 1.00 0.00 C ATOM 831 C ALA A 88 5.082 11.742 7.664 1.00 0.00 C ATOM 832 O ALA A 88 4.266 12.481 8.207 1.00 0.00 O ATOM 833 CB ALA A 88 6.429 10.146 9.089 1.00 0.00 C ATOM 0 H ALA A 88 6.141 8.646 7.215 1.00 0.00 H new ATOM 0 HA ALA A 88 4.288 10.073 8.653 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.349 10.882 9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.440 9.144 9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.351 10.313 8.533 1.00 0.00 H new ATOM 835 N GLU A 89 5.858 12.097 6.645 1.00 0.00 N ATOM 836 CA GLU A 89 5.892 13.448 6.028 1.00 0.00 C ATOM 837 C GLU A 89 6.538 13.373 4.641 1.00 0.00 C ATOM 838 O GLU A 89 7.488 12.602 4.449 1.00 0.00 O ATOM 839 CB GLU A 89 6.686 14.447 6.872 1.00 0.00 C ATOM 840 CG GLU A 89 5.830 15.128 7.948 1.00 0.00 C ATOM 841 CD GLU A 89 6.672 16.009 8.871 1.00 0.00 C ATOM 842 OE1 GLU A 89 7.406 15.422 9.698 1.00 0.00 O ATOM 843 OE2 GLU A 89 6.578 17.244 8.713 1.00 0.00 O ATOM 0 H GLU A 89 6.505 11.444 6.202 1.00 0.00 H new ATOM 0 HA GLU A 89 4.860 13.791 5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.519 13.931 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.114 15.208 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.060 15.734 7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.317 14.369 8.539 1.00 0.00 H new ATOM 845 N ALA A 90 6.034 14.182 3.718 1.00 0.00 N ATOM 846 CA ALA A 90 6.576 14.255 2.349 1.00 0.00 C ATOM 847 C ALA A 90 7.877 15.077 2.342 1.00 0.00 C ATOM 848 O ALA A 90 7.879 16.309 2.296 1.00 0.00 O ATOM 849 CB ALA A 90 5.540 14.825 1.372 1.00 0.00 C ATOM 0 H ALA A 90 5.244 14.805 3.886 1.00 0.00 H new ATOM 0 HA ALA A 90 6.809 13.245 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.969 14.867 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.658 14.185 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.256 15.829 1.687 1.00 0.00 H new ATOM 851 N LYS A 91 8.962 14.357 2.605 1.00 0.00 N ATOM 852 CA LYS A 91 10.321 14.905 2.676 1.00 0.00 C ATOM 853 C LYS A 91 11.195 14.246 1.611 1.00 0.00 C ATOM 854 O LYS A 91 11.280 13.019 1.540 1.00 0.00 O ATOM 855 CB LYS A 91 10.930 14.699 4.068 1.00 0.00 C ATOM 856 CG LYS A 91 10.197 15.519 5.134 1.00 0.00 C ATOM 857 CD LYS A 91 10.836 15.451 6.525 1.00 0.00 C ATOM 858 CE LYS A 91 10.681 14.090 7.217 1.00 0.00 C ATOM 859 NZ LYS A 91 11.135 14.220 8.606 1.00 0.00 N ATOM 0 H LYS A 91 8.925 13.353 2.779 1.00 0.00 H new ATOM 0 HA LYS A 91 10.272 15.978 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.889 13.642 4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.982 14.983 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.159 16.560 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.167 15.169 5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.897 15.684 6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.391 16.221 7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.641 13.766 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.266 13.332 6.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.037 13.305 9.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.133 14.513 8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.558 14.934 9.094 1.00 0.00 H new ATOM 864 N LYS A 92 11.763 15.096 0.749 1.00 0.00 N ATOM 865 CA LYS A 92 12.638 14.701 -0.386 1.00 0.00 C ATOM 866 C LYS A 92 13.320 13.323 -0.309 1.00 0.00 C ATOM 867 O LYS A 92 12.942 12.436 -1.070 1.00 0.00 O ATOM 868 CB LYS A 92 13.643 15.812 -0.736 1.00 0.00 C ATOM 869 CG LYS A 92 14.509 16.278 0.437 1.00 0.00 C ATOM 870 CD LYS A 92 15.955 16.473 -0.009 1.00 0.00 C ATOM 871 CE LYS A 92 16.865 16.930 1.140 1.00 0.00 C ATOM 872 NZ LYS A 92 16.576 18.331 1.499 1.00 0.00 N ATOM 0 H LYS A 92 11.630 16.105 0.813 1.00 0.00 H new ATOM 0 HA LYS A 92 11.929 14.572 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.295 15.456 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.096 16.668 -1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.117 17.213 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.467 15.544 1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.335 15.538 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.989 17.210 -0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.716 16.287 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.910 16.831 0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.244 18.647 2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 16.675 18.933 0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.605 18.403 1.864 1.00 0.00 H new ATOM 877 N GLU A 93 14.132 13.092 0.727 1.00 0.00 N ATOM 878 CA GLU A 93 14.832 11.796 0.924 1.00 0.00 C ATOM 879 C GLU A 93 13.924 10.550 0.934 1.00 0.00 C ATOM 880 O GLU A 93 14.140 9.652 0.128 1.00 0.00 O ATOM 881 CB GLU A 93 15.829 11.831 2.094 1.00 0.00 C ATOM 882 CG GLU A 93 15.366 12.462 3.418 1.00 0.00 C ATOM 883 CD GLU A 93 14.275 11.674 4.152 1.00 0.00 C ATOM 884 OE1 GLU A 93 14.597 10.597 4.697 1.00 0.00 O ATOM 885 OE2 GLU A 93 13.123 12.167 4.113 1.00 0.00 O ATOM 0 H GLU A 93 14.329 13.783 1.452 1.00 0.00 H new ATOM 0 HA GLU A 93 15.421 11.672 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.136 10.806 2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 93 16.717 12.368 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.228 12.565 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.997 13.468 3.217 1.00 0.00 H new ATOM 887 N ASN A 94 12.805 10.609 1.668 1.00 0.00 N ATOM 888 CA ASN A 94 11.863 9.468 1.729 1.00 0.00 C ATOM 889 C ASN A 94 11.101 9.276 0.407 1.00 0.00 C ATOM 890 O ASN A 94 11.038 8.162 -0.109 1.00 0.00 O ATOM 891 CB ASN A 94 10.960 9.472 2.966 1.00 0.00 C ATOM 892 CG ASN A 94 9.972 10.640 3.155 1.00 0.00 C ATOM 893 OD1 ASN A 94 9.344 11.165 2.256 1.00 0.00 O ATOM 894 ND2 ASN A 94 9.714 10.968 4.400 1.00 0.00 N ATOM 0 H ASN A 94 12.527 11.419 2.222 1.00 0.00 H new ATOM 0 HA ASN A 94 12.479 8.578 1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.382 8.548 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 94 11.603 9.437 3.845 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.992 11.658 4.606 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.236 10.533 5.161 1.00 0.00 H new ATOM 898 N ILE A 95 10.736 10.394 -0.217 1.00 0.00 N ATOM 899 CA ILE A 95 10.058 10.445 -1.536 1.00 0.00 C ATOM 900 C ILE A 95 10.952 9.758 -2.587 1.00 0.00 C ATOM 901 O ILE A 95 10.529 8.780 -3.207 1.00 0.00 O ATOM 902 CB ILE A 95 9.766 11.914 -1.910 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.800 12.549 -0.896 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.249 12.069 -3.346 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.708 14.078 -0.992 1.00 0.00 C ATOM 0 H ILE A 95 10.902 11.319 0.180 1.00 0.00 H new ATOM 0 HA ILE A 95 9.106 9.916 -1.496 1.00 0.00 H new ATOM 0 HB ILE A 95 10.715 12.449 -1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.806 12.126 -1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.117 12.277 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.061 13.122 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.995 11.689 -4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.323 11.505 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.007 14.448 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.691 14.514 -0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.360 14.360 -1.986 1.00 0.00 H new ATOM 907 N ILE A 96 12.207 10.214 -2.670 1.00 0.00 N ATOM 908 CA ILE A 96 13.235 9.674 -3.593 1.00 0.00 C ATOM 909 C ILE A 96 13.374 8.154 -3.404 1.00 0.00 C ATOM 910 O ILE A 96 13.038 7.392 -4.310 1.00 0.00 O ATOM 911 CB ILE A 96 14.561 10.450 -3.401 1.00 0.00 C ATOM 912 CG1 ILE A 96 14.365 11.902 -3.871 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.742 9.805 -4.143 1.00 0.00 C ATOM 914 CD1 ILE A 96 15.413 12.880 -3.312 1.00 0.00 C ATOM 0 H ILE A 96 12.551 10.981 -2.092 1.00 0.00 H new ATOM 0 HA ILE A 96 12.932 9.821 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 96 14.811 10.424 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 96 14.400 11.930 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.372 12.239 -3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.644 10.393 -3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.894 8.791 -3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 96 15.527 9.773 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 96 15.211 13.883 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.364 12.882 -2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.408 12.568 -3.630 1.00 0.00 H new ATOM 916 N ALA A 97 13.631 7.755 -2.159 1.00 0.00 N ATOM 917 CA ALA A 97 13.797 6.338 -1.774 1.00 0.00 C ATOM 918 C ALA A 97 12.605 5.465 -2.226 1.00 0.00 C ATOM 919 O ALA A 97 12.790 4.550 -3.024 1.00 0.00 O ATOM 920 CB ALA A 97 13.983 6.254 -0.252 1.00 0.00 C ATOM 0 H ALA A 97 13.732 8.403 -1.378 1.00 0.00 H new ATOM 0 HA ALA A 97 14.679 5.946 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.106 5.212 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.868 6.820 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.107 6.670 0.245 1.00 0.00 H new ATOM 922 N ALA A 98 11.393 5.922 -1.897 1.00 0.00 N ATOM 923 CA ALA A 98 10.134 5.232 -2.250 1.00 0.00 C ATOM 924 C ALA A 98 9.922 5.092 -3.766 1.00 0.00 C ATOM 925 O ALA A 98 9.828 3.982 -4.278 1.00 0.00 O ATOM 926 CB ALA A 98 8.971 5.990 -1.622 1.00 0.00 C ATOM 0 H ALA A 98 11.250 6.786 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 98 10.192 4.216 -1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.034 5.493 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.092 6.009 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.954 7.011 -2.004 1.00 0.00 H new ATOM 928 N ALA A 99 9.962 6.223 -4.464 1.00 0.00 N ATOM 929 CA ALA A 99 9.777 6.294 -5.923 1.00 0.00 C ATOM 930 C ALA A 99 10.795 5.423 -6.685 1.00 0.00 C ATOM 931 O ALA A 99 10.408 4.460 -7.348 1.00 0.00 O ATOM 932 CB ALA A 99 9.842 7.759 -6.380 1.00 0.00 C ATOM 0 H ALA A 99 10.126 7.133 -4.033 1.00 0.00 H new ATOM 0 HA ALA A 99 8.793 5.890 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.705 7.810 -7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.055 8.329 -5.887 1.00 0.00 H new ATOM 0 HB3 ALA A 99 10.813 8.179 -6.117 1.00 0.00 H new ATOM 934 N GLN A 100 12.072 5.617 -6.357 1.00 0.00 N ATOM 935 CA GLN A 100 13.191 4.875 -6.968 1.00 0.00 C ATOM 936 C GLN A 100 13.206 3.364 -6.693 1.00 0.00 C ATOM 937 O GLN A 100 13.652 2.590 -7.540 1.00 0.00 O ATOM 938 CB GLN A 100 14.507 5.559 -6.586 1.00 0.00 C ATOM 939 CG GLN A 100 14.788 6.793 -7.463 1.00 0.00 C ATOM 940 CD GLN A 100 13.802 7.963 -7.367 1.00 0.00 C ATOM 941 OE1 GLN A 100 14.000 8.942 -6.662 1.00 0.00 O ATOM 942 NE2 GLN A 100 12.763 7.960 -8.180 1.00 0.00 N ATOM 0 H GLN A 100 12.368 6.296 -5.656 1.00 0.00 H new ATOM 0 HA GLN A 100 13.049 4.919 -8.048 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.470 5.859 -5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.328 4.849 -6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.780 7.167 -7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.824 6.467 -8.502 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.583 7.151 -8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.139 8.766 -8.214 1.00 0.00 H new ATOM 946 N ALA A 101 12.686 2.967 -5.537 1.00 0.00 N ATOM 947 CA ALA A 101 12.577 1.547 -5.139 1.00 0.00 C ATOM 948 C ALA A 101 11.443 0.760 -5.831 1.00 0.00 C ATOM 949 O ALA A 101 11.416 -0.470 -5.753 1.00 0.00 O ATOM 950 CB ALA A 101 12.430 1.449 -3.619 1.00 0.00 C ATOM 0 H ALA A 101 12.323 3.616 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 101 13.500 1.075 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.350 0.402 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.302 1.893 -3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.533 1.982 -3.305 1.00 0.00 H new ATOM 952 N GLY A 102 10.522 1.477 -6.475 1.00 0.00 N ATOM 953 CA GLY A 102 9.369 0.869 -7.185 1.00 0.00 C ATOM 954 C GLY A 102 7.966 1.317 -6.717 1.00 0.00 C ATOM 955 O GLY A 102 6.987 0.890 -7.319 1.00 0.00 O ATOM 0 H GLY A 102 10.543 2.495 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.464 1.094 -8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.435 -0.214 -7.081 1.00 0.00 H new ATOM 957 N ALA A 103 7.866 2.189 -5.712 1.00 0.00 N ATOM 958 CA ALA A 103 6.547 2.654 -5.202 1.00 0.00 C ATOM 959 C ALA A 103 5.686 3.355 -6.263 1.00 0.00 C ATOM 960 O ALA A 103 6.063 4.367 -6.851 1.00 0.00 O ATOM 961 CB ALA A 103 6.688 3.576 -3.995 1.00 0.00 C ATOM 0 H ALA A 103 8.669 2.593 -5.229 1.00 0.00 H new ATOM 0 HA ALA A 103 6.036 1.738 -4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.700 3.889 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.194 3.045 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.271 4.454 -4.274 1.00 0.00 H new ATOM 963 N SER A 104 4.491 2.799 -6.413 1.00 0.00 N ATOM 964 CA SER A 104 3.455 3.295 -7.356 1.00 0.00 C ATOM 965 C SER A 104 2.943 4.706 -6.997 1.00 0.00 C ATOM 966 O SER A 104 2.416 5.420 -7.847 1.00 0.00 O ATOM 967 CB SER A 104 2.257 2.340 -7.365 1.00 0.00 C ATOM 968 OG SER A 104 2.715 1.018 -7.663 1.00 0.00 O ATOM 0 H SER A 104 4.194 1.979 -5.884 1.00 0.00 H new ATOM 0 HA SER A 104 3.929 3.344 -8.336 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.757 2.355 -6.397 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.526 2.661 -8.107 1.00 0.00 H new ATOM 0 HG SER A 104 2.077 0.578 -8.263 1.00 0.00 H new ATOM 971 N GLY A 105 2.962 4.994 -5.691 1.00 0.00 N ATOM 972 CA GLY A 105 2.558 6.284 -5.109 1.00 0.00 C ATOM 973 C GLY A 105 2.809 6.298 -3.588 1.00 0.00 C ATOM 974 O GLY A 105 3.200 5.293 -2.998 1.00 0.00 O ATOM 0 H GLY A 105 3.267 4.320 -4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.115 7.093 -5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.502 6.465 -5.310 1.00 0.00 H new ATOM 976 N TYR A 106 2.615 7.469 -3.000 1.00 0.00 N ATOM 977 CA TYR A 106 2.781 7.676 -1.547 1.00 0.00 C ATOM 978 C TYR A 106 1.771 8.667 -0.972 1.00 0.00 C ATOM 979 O TYR A 106 1.466 9.684 -1.607 1.00 0.00 O ATOM 980 CB TYR A 106 4.219 8.079 -1.174 1.00 0.00 C ATOM 981 CG TYR A 106 4.654 9.469 -1.640 1.00 0.00 C ATOM 982 CD1 TYR A 106 5.269 9.594 -2.908 1.00 0.00 C ATOM 983 CD2 TYR A 106 4.486 10.586 -0.781 1.00 0.00 C ATOM 984 CE1 TYR A 106 5.707 10.859 -3.337 1.00 0.00 C ATOM 985 CE2 TYR A 106 4.925 11.851 -1.210 1.00 0.00 C ATOM 986 CZ TYR A 106 5.541 11.962 -2.479 1.00 0.00 C ATOM 987 OH TYR A 106 6.038 13.170 -2.864 1.00 0.00 O ATOM 0 H TYR A 106 2.338 8.310 -3.506 1.00 0.00 H new ATOM 0 HA TYR A 106 2.579 6.708 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.322 8.029 -0.090 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.905 7.343 -1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.400 8.727 -3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 106 4.027 10.466 0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 106 6.163 10.982 -4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 106 4.795 12.721 -0.583 1.00 0.00 H new ATOM 0 HH TYR A 106 5.848 13.837 -2.172 1.00 0.00 H new ATOM 990 N VAL A 107 1.272 8.345 0.217 1.00 0.00 N ATOM 991 CA VAL A 107 0.330 9.204 0.951 1.00 0.00 C ATOM 992 C VAL A 107 0.871 9.519 2.351 1.00 0.00 C ATOM 993 O VAL A 107 1.515 8.692 3.002 1.00 0.00 O ATOM 994 CB VAL A 107 -1.111 8.654 0.891 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.395 7.515 1.886 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.133 9.772 1.127 1.00 0.00 C ATOM 0 H VAL A 107 1.506 7.481 0.706 1.00 0.00 H new ATOM 0 HA VAL A 107 0.252 10.172 0.457 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.209 8.241 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.429 7.187 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.726 6.679 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.232 7.871 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.141 9.360 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.968 10.215 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.018 10.538 0.360 1.00 0.00 H new ATOM 998 N VAL A 108 0.852 10.814 2.640 1.00 0.00 N ATOM 999 CA VAL A 108 1.331 11.371 3.922 1.00 0.00 C ATOM 1000 C VAL A 108 0.276 11.220 5.021 1.00 0.00 C ATOM 1001 O VAL A 108 -0.858 11.667 4.879 1.00 0.00 O ATOM 1002 CB VAL A 108 1.743 12.838 3.728 1.00 0.00 C ATOM 1003 CG1 VAL A 108 2.267 13.484 5.013 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.817 12.968 2.651 1.00 0.00 C ATOM 0 H VAL A 108 0.503 11.522 1.994 1.00 0.00 H new ATOM 0 HA VAL A 108 2.206 10.808 4.246 1.00 0.00 H new ATOM 0 HB VAL A 108 0.836 13.360 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.542 14.520 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.490 13.456 5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.142 12.937 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.090 14.017 2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.697 12.394 2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.432 12.586 1.705 1.00 0.00 H new ATOM 1006 N LYS A 109 0.718 10.637 6.126 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.134 10.435 7.318 1.00 0.00 C ATOM 1008 C LYS A 109 0.032 11.619 8.294 1.00 0.00 C ATOM 1009 O LYS A 109 1.164 12.039 8.528 1.00 0.00 O ATOM 1010 CB LYS A 109 0.121 9.069 7.979 1.00 0.00 C ATOM 1011 CG LYS A 109 1.583 8.728 8.256 1.00 0.00 C ATOM 1012 CD LYS A 109 1.697 7.298 8.797 1.00 0.00 C ATOM 1013 CE LYS A 109 3.150 6.822 8.921 1.00 0.00 C ATOM 1014 NZ LYS A 109 3.875 7.583 9.944 1.00 0.00 N ATOM 0 H LYS A 109 1.670 10.288 6.234 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.177 10.415 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.425 9.035 8.922 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.299 8.293 7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.167 8.827 7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.998 9.432 8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.218 7.245 9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.153 6.621 8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.167 5.762 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.653 6.929 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.795 7.133 10.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.026 8.557 9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.319 7.600 10.823 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.081 12.187 8.799 1.00 0.00 N ATOM 1020 CA PRO A 110 -2.486 11.803 8.548 1.00 0.00 C ATOM 1021 C PRO A 110 -3.017 12.209 7.152 1.00 0.00 C ATOM 1022 O PRO A 110 -2.804 13.317 6.675 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.313 12.515 9.617 1.00 0.00 C ATOM 1024 CG PRO A 110 -2.296 12.874 10.698 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.030 13.169 9.902 1.00 0.00 C ATOM 0 HA PRO A 110 -2.559 10.716 8.584 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -3.800 13.404 9.217 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.099 11.869 10.008 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.616 13.738 11.280 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.148 12.053 11.400 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.020 14.193 9.528 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.134 13.043 10.511 1.00 0.00 H new ATOM 1026 N PHE A 111 -3.833 11.295 6.638 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.506 11.402 5.327 1.00 0.00 C ATOM 1028 C PHE A 111 -5.983 11.002 5.516 1.00 0.00 C ATOM 1029 O PHE A 111 -6.305 10.199 6.401 1.00 0.00 O ATOM 1030 CB PHE A 111 -3.812 10.557 4.260 1.00 0.00 C ATOM 1031 CG PHE A 111 -3.872 9.044 4.496 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -2.999 8.443 5.426 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -4.870 8.287 3.832 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.150 7.080 5.731 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -4.998 6.920 4.118 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.150 6.321 5.081 1.00 0.00 C ATOM 0 H PHE A 111 -4.058 10.429 7.129 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.450 12.429 4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.263 10.777 3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.767 10.860 4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.222 9.025 5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.525 8.758 3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.504 6.613 6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.741 6.326 3.606 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.268 5.275 5.321 1.00 0.00 H new ATOM 1038 N THR A 112 -6.834 11.499 4.634 1.00 0.00 N ATOM 1039 CA THR A 112 -8.289 11.224 4.675 1.00 0.00 C ATOM 1040 C THR A 112 -8.681 10.251 3.550 1.00 0.00 C ATOM 1041 O THR A 112 -7.889 10.004 2.644 1.00 0.00 O ATOM 1042 CB THR A 112 -9.119 12.509 4.475 1.00 0.00 C ATOM 1043 OG1 THR A 112 -8.926 13.012 3.144 1.00 0.00 O ATOM 1044 CG2 THR A 112 -8.847 13.570 5.544 1.00 0.00 C ATOM 0 H THR A 112 -6.552 12.106 3.864 1.00 0.00 H new ATOM 0 HA THR A 112 -8.498 10.798 5.656 1.00 0.00 H new ATOM 0 HB THR A 112 -10.170 12.249 4.597 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.967 13.069 2.952 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.461 14.449 5.348 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.093 13.168 6.527 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.794 13.850 5.519 1.00 0.00 H new ATOM 1047 N ALA A 113 -9.939 9.801 3.576 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.488 8.915 2.519 1.00 0.00 C ATOM 1049 C ALA A 113 -10.324 9.530 1.118 1.00 0.00 C ATOM 1050 O ALA A 113 -9.817 8.881 0.207 1.00 0.00 O ATOM 1051 CB ALA A 113 -11.965 8.627 2.800 1.00 0.00 C ATOM 0 H ALA A 113 -10.605 10.030 4.314 1.00 0.00 H new ATOM 0 HA ALA A 113 -9.924 7.982 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.363 7.976 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.062 8.136 3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.523 9.563 2.811 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.525 10.847 1.041 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.376 11.644 -0.198 1.00 0.00 C ATOM 1055 C ALA A 114 -8.916 11.679 -0.668 1.00 0.00 C ATOM 1056 O ALA A 114 -8.631 11.372 -1.821 1.00 0.00 O ATOM 1057 CB ALA A 114 -10.913 13.057 0.050 1.00 0.00 C ATOM 0 H ALA A 114 -10.801 11.408 1.847 1.00 0.00 H new ATOM 0 HA ALA A 114 -10.952 11.175 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.807 13.651 -0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.966 13.003 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.349 13.524 0.857 1.00 0.00 H new ATOM 1059 N THR A 115 -8.003 11.944 0.273 1.00 0.00 N ATOM 1060 CA THR A 115 -6.542 11.979 0.011 1.00 0.00 C ATOM 1061 C THR A 115 -6.091 10.600 -0.503 1.00 0.00 C ATOM 1062 O THR A 115 -5.526 10.510 -1.594 1.00 0.00 O ATOM 1063 CB THR A 115 -5.763 12.326 1.288 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.425 13.341 2.041 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.351 12.816 0.936 1.00 0.00 C ATOM 0 H THR A 115 -8.247 12.142 1.243 1.00 0.00 H new ATOM 0 HA THR A 115 -6.339 12.747 -0.735 1.00 0.00 H new ATOM 0 HB THR A 115 -5.705 11.419 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.835 13.653 2.759 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.811 13.058 1.851 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.818 12.033 0.397 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.420 13.705 0.310 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.541 9.549 0.194 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.264 8.138 -0.146 1.00 0.00 C ATOM 1070 C LEU A 116 -6.749 7.839 -1.587 1.00 0.00 C ATOM 1071 O LEU A 116 -5.928 7.496 -2.436 1.00 0.00 O ATOM 1072 CB LEU A 116 -6.963 7.232 0.878 1.00 0.00 C ATOM 1073 CG LEU A 116 -6.669 5.737 0.675 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.184 5.399 0.862 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -7.492 4.930 1.673 1.00 0.00 C ATOM 0 H LEU A 116 -7.120 9.652 1.028 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.192 7.945 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.651 7.523 1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.039 7.394 0.820 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.936 5.485 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.032 4.331 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.590 5.958 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.874 5.667 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.290 3.868 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.223 5.223 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.552 5.122 1.509 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.010 8.175 -1.859 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.641 7.988 -3.185 1.00 0.00 C ATOM 1079 C GLU A 117 -7.829 8.642 -4.309 1.00 0.00 C ATOM 1080 O GLU A 117 -7.466 7.957 -5.258 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.086 8.530 -3.178 1.00 0.00 C ATOM 1082 CG GLU A 117 -10.886 8.179 -4.444 1.00 0.00 C ATOM 1083 CD GLU A 117 -11.363 6.720 -4.581 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -10.822 5.830 -3.885 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -12.348 6.544 -5.334 1.00 0.00 O ATOM 0 H GLU A 117 -8.635 8.588 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.664 6.916 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.609 8.134 -2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.057 9.614 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.761 8.828 -4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.271 8.419 -5.312 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.428 9.897 -4.113 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.623 10.650 -5.097 1.00 0.00 C ATOM 1089 C GLU A 118 -5.355 9.888 -5.533 1.00 0.00 C ATOM 1090 O GLU A 118 -5.170 9.642 -6.728 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.275 12.054 -4.589 1.00 0.00 C ATOM 1092 CG GLU A 118 -7.504 12.954 -4.427 1.00 0.00 C ATOM 1093 CD GLU A 118 -8.305 13.128 -5.727 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -7.846 13.917 -6.574 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -9.344 12.447 -5.849 1.00 0.00 O ATOM 0 H GLU A 118 -7.648 10.428 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.248 10.759 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -5.764 11.971 -3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.577 12.523 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.155 12.534 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -7.184 13.934 -4.071 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.627 9.363 -4.548 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.414 8.555 -4.788 1.00 0.00 C ATOM 1099 C LYS A 119 -3.725 7.235 -5.526 1.00 0.00 C ATOM 1100 O LYS A 119 -3.134 6.964 -6.569 1.00 0.00 O ATOM 1101 CB LYS A 119 -2.638 8.307 -3.486 1.00 0.00 C ATOM 1102 CG LYS A 119 -1.673 9.451 -3.141 1.00 0.00 C ATOM 1103 CD LYS A 119 -2.378 10.709 -2.632 1.00 0.00 C ATOM 1104 CE LYS A 119 -1.450 11.920 -2.557 1.00 0.00 C ATOM 1105 NZ LYS A 119 -0.448 11.808 -1.490 1.00 0.00 N ATOM 0 H LYS A 119 -4.854 9.481 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.772 9.138 -5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.345 8.174 -2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.075 7.378 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -0.969 9.106 -2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.090 9.704 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.217 10.940 -3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.792 10.513 -1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.942 12.042 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.046 12.818 -2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.291 12.526 -1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.905 11.958 -0.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.019 10.861 -1.514 1.00 0.00 H new ATOM 1110 N LEU A 120 -4.756 6.544 -5.052 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.243 5.272 -5.642 1.00 0.00 C ATOM 1112 C LEU A 120 -5.612 5.452 -7.135 1.00 0.00 C ATOM 1113 O LEU A 120 -5.098 4.742 -7.995 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.487 4.770 -4.896 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.217 4.358 -3.442 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -7.549 4.166 -2.729 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.364 3.093 -3.344 1.00 0.00 C ATOM 0 H LEU A 120 -5.293 6.843 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.434 4.547 -5.551 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.245 5.553 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -6.902 3.917 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.646 5.152 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.369 3.873 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.110 5.100 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.122 3.387 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.202 2.844 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.878 2.268 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.403 3.264 -3.829 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.377 6.514 -7.403 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.844 6.920 -8.746 1.00 0.00 C ATOM 1121 C ASN A 121 -5.672 7.063 -9.737 1.00 0.00 C ATOM 1122 O ASN A 121 -5.623 6.396 -10.762 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.559 8.277 -8.643 1.00 0.00 C ATOM 1124 CG ASN A 121 -8.889 8.259 -7.889 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.348 7.283 -7.307 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.499 9.417 -7.787 1.00 0.00 N ATOM 0 H ASN A 121 -6.704 7.142 -6.669 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.518 6.146 -9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -6.891 8.985 -8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.736 8.653 -9.651 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.348 9.499 -7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -9.124 10.235 -8.268 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.692 7.866 -9.322 1.00 0.00 N ATOM 1131 CA LYS A 122 -3.444 8.146 -10.058 1.00 0.00 C ATOM 1132 C LYS A 122 -2.728 6.844 -10.477 1.00 0.00 C ATOM 1133 O LYS A 122 -2.408 6.657 -11.655 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.593 9.012 -9.121 1.00 0.00 C ATOM 1135 CG LYS A 122 -1.209 9.389 -9.648 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.377 10.142 -8.598 1.00 0.00 C ATOM 1137 CE LYS A 122 -0.117 9.340 -7.312 1.00 0.00 C ATOM 1138 NZ LYS A 122 0.645 8.128 -7.601 1.00 0.00 N ATOM 0 H LYS A 122 -4.741 8.361 -8.432 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.637 8.669 -10.994 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.142 9.928 -8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.471 8.482 -8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.679 8.486 -9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.317 10.009 -10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.580 10.421 -9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.890 11.068 -8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.429 9.956 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.066 9.076 -6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.073 7.293 -7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.887 8.103 -8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.518 8.124 -7.036 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.625 5.906 -9.530 1.00 0.00 N ATOM 1144 CA ILE A 123 -2.017 4.573 -9.738 1.00 0.00 C ATOM 1145 C ILE A 123 -2.815 3.774 -10.796 1.00 0.00 C ATOM 1146 O ILE A 123 -2.270 3.360 -11.812 1.00 0.00 O ATOM 1147 CB ILE A 123 -1.904 3.844 -8.384 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -0.987 4.660 -7.459 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.337 2.418 -8.551 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.115 4.338 -5.962 1.00 0.00 C ATOM 0 H ILE A 123 -2.965 6.047 -8.579 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.007 4.678 -10.134 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.901 3.755 -7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.047 4.496 -7.762 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.199 5.719 -7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.272 1.936 -7.576 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.994 1.839 -9.199 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.344 2.471 -8.996 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.428 4.966 -5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.137 4.531 -5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.872 3.289 -5.793 1.00 0.00 H new ATOM 1152 N PHE A 124 -4.135 3.691 -10.586 1.00 0.00 N ATOM 1153 CA PHE A 124 -5.061 2.980 -11.493 1.00 0.00 C ATOM 1154 C PHE A 124 -5.028 3.509 -12.929 1.00 0.00 C ATOM 1155 O PHE A 124 -4.982 2.733 -13.880 1.00 0.00 O ATOM 1156 CB PHE A 124 -6.496 3.011 -10.955 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.683 2.348 -9.584 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.814 1.319 -9.141 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.662 2.890 -8.719 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -5.889 0.876 -7.809 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.737 2.447 -7.387 1.00 0.00 C ATOM 1162 CZ PHE A 124 -6.832 1.463 -6.934 1.00 0.00 C ATOM 0 H PHE A 124 -4.597 4.114 -9.782 1.00 0.00 H new ATOM 0 HA PHE A 124 -4.710 1.949 -11.525 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.822 4.049 -10.889 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -7.150 2.517 -11.674 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.100 0.879 -9.822 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.349 3.641 -9.080 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.232 0.094 -7.457 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.479 2.855 -6.717 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.860 1.153 -5.900 1.00 0.00 H new ATOM 1164 N GLU A 125 -4.921 4.835 -13.043 1.00 0.00 N ATOM 1165 CA GLU A 125 -4.827 5.541 -14.350 1.00 0.00 C ATOM 1166 C GLU A 125 -3.616 5.063 -15.170 1.00 0.00 C ATOM 1167 O GLU A 125 -3.771 4.699 -16.338 1.00 0.00 O ATOM 1168 CB GLU A 125 -4.801 7.053 -14.124 1.00 0.00 C ATOM 1169 CG GLU A 125 -6.181 7.565 -13.703 1.00 0.00 C ATOM 1170 CD GLU A 125 -6.157 9.045 -13.308 1.00 0.00 C ATOM 1171 OE1 GLU A 125 -6.257 9.874 -14.232 1.00 0.00 O ATOM 1172 OE2 GLU A 125 -6.094 9.303 -12.086 1.00 0.00 O ATOM 0 H GLU A 125 -4.896 5.462 -12.239 1.00 0.00 H new ATOM 0 HA GLU A 125 -5.712 5.298 -14.939 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -4.068 7.298 -13.355 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -4.485 7.556 -15.038 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -6.885 7.422 -14.523 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -6.545 6.973 -12.863 1.00 0.00 H new ATOM 1174 N LYS A 126 -2.484 4.896 -14.500 1.00 0.00 N ATOM 1175 CA LYS A 126 -1.229 4.371 -15.105 1.00 0.00 C ATOM 1176 C LYS A 126 -1.427 2.942 -15.653 1.00 0.00 C ATOM 1177 O LYS A 126 -1.007 2.635 -16.766 1.00 0.00 O ATOM 1178 CB LYS A 126 -0.122 4.362 -14.047 1.00 0.00 C ATOM 1179 CG LYS A 126 0.393 5.769 -13.718 1.00 0.00 C ATOM 1180 CD LYS A 126 1.341 5.725 -12.520 1.00 0.00 C ATOM 1181 CE LYS A 126 2.125 7.034 -12.332 1.00 0.00 C ATOM 1182 NZ LYS A 126 1.224 8.177 -12.105 1.00 0.00 N ATOM 0 H LYS A 126 -2.392 5.119 -13.509 1.00 0.00 H new ATOM 0 HA LYS A 126 -0.951 5.019 -15.936 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -0.499 3.895 -13.137 1.00 0.00 H new ATOM 0 HB3 LYS A 126 0.707 3.749 -14.400 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.910 6.185 -14.583 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -0.447 6.429 -13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 126 0.768 5.517 -11.616 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.043 4.901 -12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 126 2.806 6.933 -11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.737 7.222 -13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.292 8.837 -12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.245 7.836 -12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 1.498 8.666 -11.229 1.00 0.00 H new ATOM 1187 N LEU A 127 -2.187 2.152 -14.903 1.00 0.00 N ATOM 1188 CA LEU A 127 -2.530 0.744 -15.224 1.00 0.00 C ATOM 1189 C LEU A 127 -3.741 0.592 -16.185 1.00 0.00 C ATOM 1190 O LEU A 127 -4.220 -0.524 -16.404 1.00 0.00 O ATOM 1191 CB LEU A 127 -2.837 0.019 -13.905 1.00 0.00 C ATOM 1192 CG LEU A 127 -1.622 -0.027 -12.952 1.00 0.00 C ATOM 1193 CD1 LEU A 127 -2.071 -0.361 -11.535 1.00 0.00 C ATOM 1194 CD2 LEU A 127 -0.562 -1.022 -13.449 1.00 0.00 C ATOM 0 H LEU A 127 -2.601 2.469 -14.026 1.00 0.00 H new ATOM 0 HA LEU A 127 -1.676 0.312 -15.745 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.667 0.519 -13.405 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -3.162 -0.999 -14.122 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.160 0.960 -12.940 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.203 -0.390 -10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.768 0.401 -11.185 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -2.563 -1.333 -11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 127 0.280 -1.032 -12.757 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.997 -2.020 -13.505 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -0.216 -0.721 -14.438 1.00 0.00 H new ATOM 1196 N GLY A 128 -4.205 1.702 -16.744 1.00 0.00 N ATOM 1197 CA GLY A 128 -5.351 1.753 -17.687 1.00 0.00 C ATOM 1198 C GLY A 128 -6.739 1.530 -17.064 1.00 0.00 C ATOM 1199 O GLY A 128 -7.734 1.443 -17.788 1.00 0.00 O ATOM 0 H GLY A 128 -3.798 2.619 -16.561 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -5.347 2.724 -18.182 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -5.195 1.001 -18.460 1.00 0.00 H new ATOM 1201 N MET A 129 -6.830 1.599 -15.733 1.00 0.00 N ATOM 1202 CA MET A 129 -8.096 1.417 -14.989 1.00 0.00 C ATOM 1203 C MET A 129 -8.759 2.747 -14.595 1.00 0.00 C ATOM 1204 O MET A 129 -9.907 2.960 -15.031 1.00 0.00 O ATOM 1205 CB MET A 129 -7.887 0.550 -13.739 1.00 0.00 C ATOM 1206 CG MET A 129 -7.558 -0.900 -14.076 1.00 0.00 C ATOM 1207 SD MET A 129 -7.485 -2.001 -12.613 1.00 0.00 S ATOM 1208 CE MET A 129 -5.942 -1.497 -11.884 1.00 0.00 C ATOM 1209 OXT MET A 129 -8.082 3.553 -13.903 1.00 0.00 O ATOM 0 H MET A 129 -6.028 1.783 -15.131 1.00 0.00 H new ATOM 0 HA MET A 129 -8.772 0.906 -15.674 1.00 0.00 H new ATOM 0 HB2 MET A 129 -7.080 0.972 -13.140 1.00 0.00 H new ATOM 0 HB3 MET A 129 -8.788 0.581 -13.126 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.308 -1.281 -14.769 1.00 0.00 H new ATOM 0 HG3 MET A 129 -6.599 -0.934 -14.593 1.00 0.00 H new ATOM 0 HE1 MET A 129 -5.759 -2.080 -10.981 1.00 0.00 H new ATOM 0 HE2 MET A 129 -5.132 -1.664 -12.594 1.00 0.00 H new ATOM 0 HE3 MET A 129 -5.989 -0.438 -11.629 1.00 0.00 H new TER 1211 MET A 129