USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 939 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 70 HIS : no HE2:sc= -3.2 K(o=-3.4,f=-2.5) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -0.247 K(o=-3.4,f=-2.5) USER MOD Set 2.1: A 35 ASN : amide:sc= -4.05 K(o=-3.8,f=-6.9!) USER MOD Set 2.2: A 41 TYR OH : rot -109:sc= 0.227 USER MOD Set 3.1: A 7 ASN : amide:sc= 0.232 K(o=2.1,f=-2.5!) USER MOD Set 3.2: A 11 ASN : amide:sc= 1.27 K(o=2.1,f=-3.5) USER MOD Set 3.3: A 14 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0) USER MOD Set 3.4: A 80 HIS : no HE2:sc= -0.586 K(o=2.1,f=-3.2!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 MET CE :methyl -146:sc= -0.004 (180deg=-0.262) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc=-0.00427 (180deg=-0.104) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -158:sc= 1.15 (180deg=0.532) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 179:sc= -0.065 (180deg=-0.0657) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00766 USER MOD Single : A 30 ASN : amide:sc= -0.0527 K(o=-0.053,f=-1.2!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.506 K(o=0.51,f=-6.9!) USER MOD Single : A 48 THR OG1 : rot 165:sc= 1.25 USER MOD Single : A 53 MET CE :methyl 158:sc= -0.102 (180deg=-0.844) USER MOD Single : A 56 SER OG : rot 78:sc= 0.437 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 58 LYS NZ :NH3+ -133:sc= 1.02 (180deg=0.415) USER MOD Single : A 60 ASN : amide:sc= 0.43 X(o=0.43,f=-0.0054) USER MOD Single : A 61 MET CE :methyl -152:sc= -0.0825 (180deg=-0.494) USER MOD Single : A 69 HIS : no HD1:sc= 0.166 K(o=0.17,f=-1.2) USER MOD Single : A 72 ASN : amide:sc= 0.936 K(o=0.94,f=-1.7!) USER MOD Single : A 74 MET CE :methyl -113:sc= -0.131 (180deg=-1.48) USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= -0.0729 (180deg=-0.418) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00842 USER MOD Single : A 86 MET CE :methyl -169:sc= -1.66! (180deg=-1.84) USER MOD Single : A 88 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.016) USER MOD Single : A 89 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.1!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.29) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 154:sc= 0.442 USER MOD Single : A 116 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.182 X(o=-0.18,f=-0.09) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.089 X(o=-0.089,f=-0.091) USER MOD ----------------------------------------------------------------- ATOM 12 N GLN A 2 12.282 -10.415 2.749 1.00 0.00 N ATOM 13 CA GLN A 2 10.847 -10.621 2.985 1.00 0.00 C ATOM 14 C GLN A 2 10.460 -10.397 4.446 1.00 0.00 C ATOM 15 O GLN A 2 9.363 -9.925 4.723 1.00 0.00 O ATOM 16 CB GLN A 2 10.474 -12.061 2.605 1.00 0.00 C ATOM 17 CG GLN A 2 10.516 -12.266 1.089 1.00 0.00 C ATOM 18 CD GLN A 2 11.446 -13.389 0.668 1.00 0.00 C ATOM 19 OE1 GLN A 2 12.642 -13.344 0.944 1.00 0.00 O ATOM 20 NE2 GLN A 2 10.925 -14.405 0.004 1.00 0.00 N ATOM 0 HA GLN A 2 10.311 -9.895 2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.162 -12.756 3.087 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.476 -12.290 2.977 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.510 -12.481 0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.835 -11.339 0.611 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.928 -14.416 -0.212 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.520 -15.179 -0.293 1.00 0.00 H new ATOM 29 N GLU A 3 11.353 -10.735 5.372 1.00 0.00 N ATOM 30 CA GLU A 3 11.148 -10.738 6.816 1.00 0.00 C ATOM 31 C GLU A 3 10.573 -9.410 7.292 1.00 0.00 C ATOM 32 O GLU A 3 9.472 -9.358 7.839 1.00 0.00 O ATOM 33 CB GLU A 3 12.518 -11.022 7.420 1.00 0.00 C ATOM 34 CG GLU A 3 12.597 -11.008 8.944 1.00 0.00 C ATOM 35 CD GLU A 3 14.024 -11.384 9.331 1.00 0.00 C ATOM 36 OE1 GLU A 3 14.880 -10.479 9.457 1.00 0.00 O ATOM 37 OE2 GLU A 3 14.335 -12.597 9.347 1.00 0.00 O ATOM 0 H GLU A 3 12.295 -11.032 5.118 1.00 0.00 H new ATOM 0 HA GLU A 3 10.423 -11.491 7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.852 -11.998 7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.223 -10.286 7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.341 -10.022 9.332 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.885 -11.714 9.372 1.00 0.00 H new ATOM 44 N VAL A 4 11.320 -8.339 7.035 1.00 0.00 N ATOM 45 CA VAL A 4 10.927 -6.978 7.332 1.00 0.00 C ATOM 46 C VAL A 4 9.674 -6.597 6.555 1.00 0.00 C ATOM 47 O VAL A 4 8.743 -6.021 7.100 1.00 0.00 O ATOM 48 CB VAL A 4 12.117 -6.045 7.075 1.00 0.00 C ATOM 49 CG1 VAL A 4 12.960 -6.328 5.833 1.00 0.00 C ATOM 50 CG2 VAL A 4 11.712 -4.570 7.056 1.00 0.00 C ATOM 0 H VAL A 4 12.241 -8.404 6.602 1.00 0.00 H new ATOM 0 HA VAL A 4 10.659 -6.880 8.384 1.00 0.00 H new ATOM 0 HB VAL A 4 12.753 -6.267 7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.767 -5.598 5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.382 -7.331 5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.333 -6.257 4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.592 -3.954 6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.979 -4.404 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.276 -4.300 8.018 1.00 0.00 H new ATOM 60 N MET A 5 9.635 -6.931 5.274 1.00 0.00 N ATOM 61 CA MET A 5 8.498 -6.629 4.398 1.00 0.00 C ATOM 62 C MET A 5 7.154 -7.090 4.979 1.00 0.00 C ATOM 63 O MET A 5 6.139 -6.406 4.813 1.00 0.00 O ATOM 64 CB MET A 5 8.695 -7.257 3.008 1.00 0.00 C ATOM 65 CG MET A 5 8.581 -6.232 1.885 1.00 0.00 C ATOM 66 SD MET A 5 7.182 -5.064 1.932 1.00 0.00 S ATOM 67 CE MET A 5 6.858 -4.910 0.155 1.00 0.00 C ATOM 0 H MET A 5 10.394 -7.423 4.803 1.00 0.00 H new ATOM 0 HA MET A 5 8.465 -5.543 4.313 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.674 -7.733 2.963 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.952 -8.040 2.858 1.00 0.00 H new ATOM 0 HG2 MET A 5 9.502 -5.649 1.870 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.531 -6.775 0.941 1.00 0.00 H new ATOM 0 HE1 MET A 5 6.523 -3.897 -0.067 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.772 -5.120 -0.401 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.084 -5.620 -0.137 1.00 0.00 H new ATOM 77 N LYS A 6 7.120 -8.236 5.663 1.00 0.00 N ATOM 78 CA LYS A 6 5.918 -8.713 6.345 1.00 0.00 C ATOM 79 C LYS A 6 5.538 -7.697 7.415 1.00 0.00 C ATOM 80 O LYS A 6 4.417 -7.199 7.392 1.00 0.00 O ATOM 81 CB LYS A 6 6.140 -10.138 6.881 1.00 0.00 C ATOM 82 CG LYS A 6 6.323 -11.120 5.704 1.00 0.00 C ATOM 83 CD LYS A 6 7.177 -12.349 6.035 1.00 0.00 C ATOM 84 CE LYS A 6 6.412 -13.466 6.750 1.00 0.00 C ATOM 85 NZ LYS A 6 5.386 -14.108 5.893 1.00 0.00 N ATOM 0 H LYS A 6 7.924 -8.857 5.759 1.00 0.00 H new ATOM 0 HA LYS A 6 5.075 -8.792 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.019 -10.161 7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.290 -10.443 7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.341 -11.454 5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.781 -10.588 4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.598 -12.745 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.015 -12.039 6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.119 -14.223 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.931 -13.058 7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.033 -14.968 6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.597 -13.448 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.807 -14.359 4.976 1.00 0.00 H new ATOM 99 N ASN A 7 6.491 -7.295 8.259 1.00 0.00 N ATOM 100 CA ASN A 7 6.308 -6.263 9.280 1.00 0.00 C ATOM 101 C ASN A 7 5.794 -4.956 8.700 1.00 0.00 C ATOM 102 O ASN A 7 4.976 -4.302 9.339 1.00 0.00 O ATOM 103 CB ASN A 7 7.646 -5.949 9.965 1.00 0.00 C ATOM 104 CG ASN A 7 7.479 -5.277 11.316 1.00 0.00 C ATOM 105 OD1 ASN A 7 6.453 -5.398 11.983 1.00 0.00 O ATOM 106 ND2 ASN A 7 8.492 -4.549 11.749 1.00 0.00 N ATOM 0 H ASN A 7 7.432 -7.687 8.251 1.00 0.00 H new ATOM 0 HA ASN A 7 5.577 -6.662 9.983 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.208 -6.874 10.093 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.238 -5.304 9.315 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.431 -4.076 12.650 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.335 -4.460 11.182 1.00 0.00 H new ATOM 113 N LEU A 8 6.278 -4.541 7.522 1.00 0.00 N ATOM 114 CA LEU A 8 5.812 -3.317 6.883 1.00 0.00 C ATOM 115 C LEU A 8 4.319 -3.437 6.612 1.00 0.00 C ATOM 116 O LEU A 8 3.547 -2.600 7.071 1.00 0.00 O ATOM 117 CB LEU A 8 6.547 -2.999 5.570 1.00 0.00 C ATOM 118 CG LEU A 8 7.847 -2.214 5.771 1.00 0.00 C ATOM 119 CD1 LEU A 8 9.029 -3.095 6.077 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.169 -1.373 4.532 1.00 0.00 C ATOM 0 H LEU A 8 6.994 -5.041 6.996 1.00 0.00 H new ATOM 0 HA LEU A 8 6.023 -2.496 7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.772 -3.932 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.884 -2.427 4.921 1.00 0.00 H new ATOM 0 HG LEU A 8 7.675 -1.571 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.918 -2.478 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.838 -3.656 6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.188 -3.790 5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.096 -0.824 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.283 -2.027 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.357 -0.669 4.349 1.00 0.00 H new ATOM 132 N SER A 9 3.910 -4.486 5.896 1.00 0.00 N ATOM 133 CA SER A 9 2.514 -4.729 5.543 1.00 0.00 C ATOM 134 C SER A 9 1.648 -4.897 6.804 1.00 0.00 C ATOM 135 O SER A 9 0.493 -4.465 6.836 1.00 0.00 O ATOM 136 CB SER A 9 2.469 -5.967 4.635 1.00 0.00 C ATOM 137 OG SER A 9 1.231 -6.107 3.960 1.00 0.00 O ATOM 0 H SER A 9 4.548 -5.198 5.542 1.00 0.00 H new ATOM 0 HA SER A 9 2.099 -3.875 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.273 -5.904 3.901 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.654 -6.859 5.234 1.00 0.00 H new ATOM 0 HG SER A 9 1.255 -6.908 3.395 1.00 0.00 H new ATOM 143 N LEU A 10 2.223 -5.456 7.872 1.00 0.00 N ATOM 144 CA LEU A 10 1.574 -5.747 9.128 1.00 0.00 C ATOM 145 C LEU A 10 1.226 -4.438 9.791 1.00 0.00 C ATOM 146 O LEU A 10 0.081 -4.186 10.160 1.00 0.00 O ATOM 147 CB LEU A 10 2.530 -6.565 10.013 1.00 0.00 C ATOM 148 CG LEU A 10 1.803 -7.152 11.227 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.347 -8.572 10.881 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.706 -7.115 12.462 1.00 0.00 C ATOM 0 H LEU A 10 3.206 -5.728 7.871 1.00 0.00 H new ATOM 0 HA LEU A 10 0.665 -6.329 8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.971 -7.371 9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.350 -5.930 10.350 1.00 0.00 H new ATOM 0 HG LEU A 10 0.924 -6.555 11.470 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.827 -9.005 11.735 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.674 -8.539 10.025 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.215 -9.184 10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.173 -7.536 13.315 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.606 -7.699 12.272 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.982 -6.083 12.680 1.00 0.00 H new ATOM 162 N ASN A 11 2.252 -3.608 9.954 1.00 0.00 N ATOM 163 CA ASN A 11 2.127 -2.393 10.710 1.00 0.00 C ATOM 164 C ASN A 11 1.419 -1.307 9.912 1.00 0.00 C ATOM 165 O ASN A 11 0.812 -0.422 10.511 1.00 0.00 O ATOM 166 CB ASN A 11 3.487 -1.938 11.226 1.00 0.00 C ATOM 167 CG ASN A 11 3.687 -2.384 12.665 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.083 -1.818 13.578 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.473 -3.417 12.920 1.00 0.00 N ATOM 0 H ASN A 11 3.181 -3.768 9.564 1.00 0.00 H new ATOM 0 HA ASN A 11 1.500 -2.596 11.578 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.277 -2.350 10.598 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.562 -0.853 11.162 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.582 -3.750 13.878 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.970 -3.880 12.159 1.00 0.00 H new ATOM 176 N PHE A 12 1.462 -1.404 8.581 1.00 0.00 N ATOM 177 CA PHE A 12 0.621 -0.661 7.663 1.00 0.00 C ATOM 178 C PHE A 12 -0.846 -0.958 7.986 1.00 0.00 C ATOM 179 O PHE A 12 -1.589 -0.044 8.327 1.00 0.00 O ATOM 180 CB PHE A 12 1.026 -1.005 6.217 1.00 0.00 C ATOM 181 CG PHE A 12 0.153 -0.427 5.121 1.00 0.00 C ATOM 182 CD1 PHE A 12 0.461 0.828 4.565 1.00 0.00 C ATOM 183 CD2 PHE A 12 -0.951 -1.152 4.627 1.00 0.00 C ATOM 184 CE1 PHE A 12 -0.388 1.407 3.612 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.762 -0.597 3.622 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.500 0.697 3.139 1.00 0.00 C ATOM 0 H PHE A 12 2.112 -2.029 8.103 1.00 0.00 H new ATOM 0 HA PHE A 12 0.754 0.415 7.772 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.048 -0.662 6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.034 -2.090 6.112 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.356 1.348 4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.173 -2.133 5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.185 2.401 3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.588 -1.166 3.220 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.154 1.143 2.405 1.00 0.00 H new ATOM 196 N GLY A 13 -1.260 -2.229 7.969 1.00 0.00 N ATOM 197 CA GLY A 13 -2.636 -2.642 8.240 1.00 0.00 C ATOM 198 C GLY A 13 -3.007 -2.638 9.727 1.00 0.00 C ATOM 199 O GLY A 13 -3.737 -3.526 10.180 1.00 0.00 O ATOM 0 H GLY A 13 -0.637 -3.010 7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.316 -1.979 7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.789 -3.645 7.841 1.00 0.00 H new ATOM 203 N LYS A 14 -2.515 -1.680 10.520 1.00 0.00 N ATOM 204 CA LYS A 14 -2.972 -1.479 11.896 1.00 0.00 C ATOM 205 C LYS A 14 -4.288 -0.703 11.886 1.00 0.00 C ATOM 206 O LYS A 14 -5.322 -1.268 12.240 1.00 0.00 O ATOM 207 CB LYS A 14 -1.879 -0.792 12.739 1.00 0.00 C ATOM 208 CG LYS A 14 -0.674 -1.698 13.025 1.00 0.00 C ATOM 209 CD LYS A 14 -1.016 -2.696 14.123 1.00 0.00 C ATOM 210 CE LYS A 14 0.123 -3.626 14.561 1.00 0.00 C ATOM 211 NZ LYS A 14 1.174 -2.935 15.339 1.00 0.00 N ATOM 0 H LYS A 14 -1.791 -1.025 10.226 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.161 -2.443 12.368 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.537 0.102 12.218 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.311 -0.465 13.685 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.385 -2.229 12.118 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.181 -1.093 13.326 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.363 -2.142 14.995 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.850 -3.310 13.783 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.290 -4.437 15.161 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.573 -4.079 13.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.641 -3.615 15.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.877 -2.529 14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.745 -2.175 15.904 1.00 0.00 H new ATOM 225 N ALA A 15 -4.280 0.557 11.446 1.00 0.00 N ATOM 226 CA ALA A 15 -5.421 1.478 11.510 1.00 0.00 C ATOM 227 C ALA A 15 -6.598 1.144 10.572 1.00 0.00 C ATOM 228 O ALA A 15 -7.455 1.995 10.331 1.00 0.00 O ATOM 229 CB ALA A 15 -4.907 2.900 11.262 1.00 0.00 C ATOM 0 H ALA A 15 -3.454 0.979 11.022 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.849 1.375 12.507 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.741 3.601 11.305 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.174 3.160 12.026 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.440 2.952 10.278 1.00 0.00 H new ATOM 235 N LEU A 16 -6.655 -0.064 10.003 1.00 0.00 N ATOM 236 CA LEU A 16 -7.658 -0.442 9.012 1.00 0.00 C ATOM 237 C LEU A 16 -9.058 -0.346 9.603 1.00 0.00 C ATOM 238 O LEU A 16 -9.956 0.189 8.966 1.00 0.00 O ATOM 239 CB LEU A 16 -7.376 -1.872 8.509 1.00 0.00 C ATOM 240 CG LEU A 16 -8.450 -2.399 7.535 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.525 -1.545 6.265 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.148 -3.849 7.154 1.00 0.00 C ATOM 0 H LEU A 16 -5.998 -0.812 10.222 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.602 0.247 8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.405 -1.891 8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.310 -2.544 9.364 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.412 -2.343 8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.292 -1.945 5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.776 -0.518 6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.561 -1.563 5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.912 -4.211 6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.172 -3.903 6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.145 -4.468 8.051 1.00 0.00 H new ATOM 254 N ASP A 17 -9.255 -0.870 10.809 1.00 0.00 N ATOM 255 CA ASP A 17 -10.584 -0.988 11.403 1.00 0.00 C ATOM 256 C ASP A 17 -11.172 0.370 11.767 1.00 0.00 C ATOM 257 O ASP A 17 -12.380 0.570 11.691 1.00 0.00 O ATOM 258 CB ASP A 17 -10.488 -1.859 12.654 1.00 0.00 C ATOM 259 CG ASP A 17 -11.768 -2.660 12.877 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.274 -3.271 11.905 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.195 -2.760 14.046 1.00 0.00 O ATOM 0 H ASP A 17 -8.503 -1.223 11.400 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.247 -1.442 10.667 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.643 -2.541 12.560 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.295 -1.230 13.523 1.00 0.00 H new ATOM 266 N GLU A 18 -10.297 1.321 12.097 1.00 0.00 N ATOM 267 CA GLU A 18 -10.657 2.729 12.227 1.00 0.00 C ATOM 268 C GLU A 18 -11.193 3.212 10.876 1.00 0.00 C ATOM 269 O GLU A 18 -12.357 3.591 10.787 1.00 0.00 O ATOM 270 CB GLU A 18 -9.475 3.564 12.728 1.00 0.00 C ATOM 271 CG GLU A 18 -9.208 3.319 14.217 1.00 0.00 C ATOM 272 CD GLU A 18 -10.093 4.131 15.167 1.00 0.00 C ATOM 273 OE1 GLU A 18 -11.252 3.719 15.419 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.599 5.148 15.713 1.00 0.00 O ATOM 0 H GLU A 18 -9.312 1.132 12.282 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.437 2.851 12.978 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.583 3.317 12.152 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.679 4.622 12.563 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.349 2.259 14.428 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.164 3.550 14.428 1.00 0.00 H new ATOM 281 N CYS A 19 -10.388 3.124 9.807 1.00 0.00 N ATOM 282 CA CYS A 19 -10.784 3.509 8.450 1.00 0.00 C ATOM 283 C CYS A 19 -12.097 2.836 8.008 1.00 0.00 C ATOM 284 O CYS A 19 -12.916 3.480 7.353 1.00 0.00 O ATOM 285 CB CYS A 19 -9.661 3.149 7.462 1.00 0.00 C ATOM 286 SG CYS A 19 -8.111 4.055 7.684 1.00 0.00 S ATOM 0 H CYS A 19 -9.430 2.778 9.865 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.954 4.586 8.453 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.454 2.082 7.547 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.022 3.324 6.449 1.00 0.00 H new ATOM 291 N LYS A 20 -12.335 1.567 8.363 1.00 0.00 N ATOM 292 CA LYS A 20 -13.559 0.848 8.071 1.00 0.00 C ATOM 293 C LYS A 20 -14.755 1.579 8.654 1.00 0.00 C ATOM 294 O LYS A 20 -15.688 1.896 7.918 1.00 0.00 O ATOM 295 CB LYS A 20 -13.453 -0.570 8.643 1.00 0.00 C ATOM 296 CG LYS A 20 -12.599 -1.501 7.783 1.00 0.00 C ATOM 297 CD LYS A 20 -12.288 -2.873 8.386 1.00 0.00 C ATOM 298 CE LYS A 20 -13.499 -3.759 8.681 1.00 0.00 C ATOM 299 NZ LYS A 20 -14.201 -3.462 9.951 1.00 0.00 N ATOM 0 H LYS A 20 -11.655 1.005 8.876 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.701 0.789 6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.028 -0.520 9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.453 -0.992 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.107 -1.651 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.656 -0.999 7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.628 -3.408 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.735 -2.725 9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.209 -3.662 7.860 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.173 -4.799 8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.741 -4.298 10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.505 -3.217 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.851 -2.662 9.810 1.00 0.00 H new ATOM 313 N LYS A 21 -14.750 1.843 9.960 1.00 0.00 N ATOM 314 CA LYS A 21 -15.791 2.496 10.679 1.00 0.00 C ATOM 315 C LYS A 21 -15.949 3.930 10.143 1.00 0.00 C ATOM 316 O LYS A 21 -17.081 4.396 9.986 1.00 0.00 O ATOM 317 CB LYS A 21 -15.378 2.285 12.157 1.00 0.00 C ATOM 318 CG LYS A 21 -15.874 3.389 13.057 1.00 0.00 C ATOM 319 CD LYS A 21 -14.806 4.463 13.294 1.00 0.00 C ATOM 320 CE LYS A 21 -15.423 5.701 13.940 1.00 0.00 C ATOM 321 NZ LYS A 21 -15.632 5.508 15.386 1.00 0.00 N ATOM 0 H LYS A 21 -13.966 1.584 10.559 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.806 2.114 10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.770 1.330 12.508 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.292 2.227 12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.757 3.848 12.614 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.181 2.966 14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.019 4.066 13.935 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.339 4.735 12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.773 6.560 13.777 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.376 5.927 13.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.052 6.367 15.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.272 4.703 15.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.719 5.317 15.846 1.00 0.00 H new ATOM 335 N GLU A 22 -14.849 4.625 9.849 1.00 0.00 N ATOM 336 CA GLU A 22 -14.834 5.983 9.332 1.00 0.00 C ATOM 337 C GLU A 22 -15.583 6.064 8.002 1.00 0.00 C ATOM 338 O GLU A 22 -16.477 6.895 7.834 1.00 0.00 O ATOM 339 CB GLU A 22 -13.371 6.452 9.189 1.00 0.00 C ATOM 340 CG GLU A 22 -12.791 6.808 10.562 1.00 0.00 C ATOM 341 CD GLU A 22 -11.380 7.404 10.560 1.00 0.00 C ATOM 342 OE1 GLU A 22 -10.736 7.592 9.502 1.00 0.00 O ATOM 343 OE2 GLU A 22 -10.882 7.711 11.667 1.00 0.00 O ATOM 0 H GLU A 22 -13.913 4.238 9.971 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.348 6.646 10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.773 5.666 8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.322 7.319 8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.463 7.517 11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.783 5.907 11.176 1.00 0.00 H new ATOM 350 N MET A 23 -15.242 5.196 7.055 1.00 0.00 N ATOM 351 CA MET A 23 -15.558 5.386 5.646 1.00 0.00 C ATOM 352 C MET A 23 -16.654 4.424 5.182 1.00 0.00 C ATOM 353 O MET A 23 -17.007 4.448 4.003 1.00 0.00 O ATOM 354 CB MET A 23 -14.269 5.198 4.834 1.00 0.00 C ATOM 355 CG MET A 23 -13.133 6.134 5.267 1.00 0.00 C ATOM 356 SD MET A 23 -11.480 5.499 4.915 1.00 0.00 S ATOM 357 CE MET A 23 -11.504 5.402 3.113 1.00 0.00 C ATOM 0 H MET A 23 -14.734 4.333 7.247 1.00 0.00 H new ATOM 0 HA MET A 23 -15.947 6.393 5.492 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.935 4.165 4.931 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.485 5.366 3.779 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.256 7.094 4.765 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.219 6.321 6.337 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.540 5.042 2.755 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.288 4.715 2.796 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.699 6.391 2.698 1.00 0.00 H new ATOM 367 N THR A 24 -17.190 3.607 6.093 1.00 0.00 N ATOM 368 CA THR A 24 -18.044 2.461 5.835 1.00 0.00 C ATOM 369 C THR A 24 -17.372 1.549 4.804 1.00 0.00 C ATOM 370 O THR A 24 -17.729 1.565 3.625 1.00 0.00 O ATOM 371 CB THR A 24 -19.466 2.904 5.431 1.00 0.00 C ATOM 372 OG1 THR A 24 -20.052 3.770 6.386 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.402 1.703 5.292 1.00 0.00 C ATOM 0 H THR A 24 -17.024 3.743 7.090 1.00 0.00 H new ATOM 0 HA THR A 24 -18.171 1.881 6.749 1.00 0.00 H new ATOM 0 HB THR A 24 -19.348 3.423 4.480 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.950 4.026 6.088 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.396 2.047 5.007 1.00 0.00 H new ATOM 0 HG22 THR A 24 -20.018 1.029 4.526 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.460 1.175 6.244 1.00 0.00 H new ATOM 381 N LEU A 25 -16.374 0.764 5.226 1.00 0.00 N ATOM 382 CA LEU A 25 -15.724 -0.224 4.362 1.00 0.00 C ATOM 383 C LEU A 25 -16.067 -1.614 4.882 1.00 0.00 C ATOM 384 O LEU A 25 -16.077 -1.845 6.098 1.00 0.00 O ATOM 385 CB LEU A 25 -14.204 -0.018 4.257 1.00 0.00 C ATOM 386 CG LEU A 25 -13.745 1.436 4.066 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.217 1.495 3.982 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.345 2.082 2.809 1.00 0.00 C ATOM 0 H LEU A 25 -15.996 0.797 6.173 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.100 -0.102 3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.738 -0.412 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.831 -0.611 3.422 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.100 1.998 4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.900 2.529 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.787 1.101 4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.876 0.897 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.988 3.108 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.041 1.516 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.432 2.081 2.883 1.00 0.00 H new ATOM 400 N THR A 26 -16.396 -2.513 3.962 1.00 0.00 N ATOM 401 CA THR A 26 -16.886 -3.842 4.282 1.00 0.00 C ATOM 402 C THR A 26 -15.743 -4.705 4.790 1.00 0.00 C ATOM 403 O THR A 26 -14.564 -4.373 4.686 1.00 0.00 O ATOM 404 CB THR A 26 -17.611 -4.444 3.062 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.716 -4.864 2.056 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.562 -3.424 2.438 1.00 0.00 C ATOM 0 H THR A 26 -16.328 -2.334 2.960 1.00 0.00 H new ATOM 0 HA THR A 26 -17.621 -3.791 5.086 1.00 0.00 H new ATOM 0 HB THR A 26 -18.159 -5.308 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 26 -17.221 -5.240 1.305 1.00 0.00 H new ATOM 0 HG21 THR A 26 -19.062 -3.871 1.579 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.306 -3.122 3.175 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.997 -2.550 2.114 1.00 0.00 H new ATOM 414 N ASP A 27 -16.116 -5.862 5.313 1.00 0.00 N ATOM 415 CA ASP A 27 -15.192 -6.887 5.754 1.00 0.00 C ATOM 416 C ASP A 27 -14.454 -7.494 4.560 1.00 0.00 C ATOM 417 O ASP A 27 -13.403 -8.097 4.751 1.00 0.00 O ATOM 418 CB ASP A 27 -16.015 -7.960 6.472 1.00 0.00 C ATOM 419 CG ASP A 27 -16.317 -7.615 7.929 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.993 -6.588 8.180 1.00 0.00 O ATOM 421 OD2 ASP A 27 -15.915 -8.375 8.842 1.00 0.00 O ATOM 0 H ASP A 27 -17.095 -6.118 5.445 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.441 -6.464 6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.954 -8.106 5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.477 -8.907 6.434 1.00 0.00 H new ATOM 426 N ALA A 28 -14.952 -7.310 3.329 1.00 0.00 N ATOM 427 CA ALA A 28 -14.411 -7.954 2.140 1.00 0.00 C ATOM 428 C ALA A 28 -12.997 -7.483 1.781 1.00 0.00 C ATOM 429 O ALA A 28 -12.366 -8.052 0.890 1.00 0.00 O ATOM 430 CB ALA A 28 -15.338 -7.713 0.945 1.00 0.00 C ATOM 0 H ALA A 28 -15.749 -6.703 3.137 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.347 -9.017 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.925 -8.198 0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.323 -8.127 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.426 -6.642 0.763 1.00 0.00 H new ATOM 436 N ILE A 29 -12.497 -6.427 2.416 1.00 0.00 N ATOM 437 CA ILE A 29 -11.148 -5.944 2.224 1.00 0.00 C ATOM 438 C ILE A 29 -10.168 -6.781 3.044 1.00 0.00 C ATOM 439 O ILE A 29 -9.022 -6.895 2.622 1.00 0.00 O ATOM 440 CB ILE A 29 -11.072 -4.436 2.537 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.256 -4.179 4.044 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.074 -3.657 1.658 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.683 -2.752 4.398 1.00 0.00 C ATOM 0 H ILE A 29 -13.033 -5.879 3.088 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.858 -6.059 1.180 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.079 -4.064 2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.002 -4.874 4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.319 -4.401 4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.010 -2.594 1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.835 -3.815 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.085 -4.012 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.789 -2.661 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.928 -2.049 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.637 -2.529 3.920 1.00 0.00 H new ATOM 455 N ASN A 30 -10.608 -7.437 4.136 1.00 0.00 N ATOM 456 CA ASN A 30 -9.772 -8.398 4.836 1.00 0.00 C ATOM 457 C ASN A 30 -9.332 -9.461 3.856 1.00 0.00 C ATOM 458 O ASN A 30 -8.194 -9.911 3.933 1.00 0.00 O ATOM 459 CB ASN A 30 -10.520 -9.166 5.938 1.00 0.00 C ATOM 460 CG ASN A 30 -10.455 -8.574 7.326 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.526 -7.846 7.671 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.446 -8.884 8.139 1.00 0.00 N ATOM 0 H ASN A 30 -11.536 -7.311 4.541 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.955 -7.824 5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.568 -9.246 5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.122 -10.180 5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.459 -8.516 9.090 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.199 -9.491 7.816 1.00 0.00 H new ATOM 469 N GLU A 31 -10.249 -9.891 2.983 1.00 0.00 N ATOM 470 CA GLU A 31 -9.956 -10.925 2.021 1.00 0.00 C ATOM 471 C GLU A 31 -8.815 -10.474 1.134 1.00 0.00 C ATOM 472 O GLU A 31 -7.820 -11.183 1.142 1.00 0.00 O ATOM 473 CB GLU A 31 -11.190 -11.328 1.211 1.00 0.00 C ATOM 474 CG GLU A 31 -11.954 -12.429 1.940 1.00 0.00 C ATOM 475 CD GLU A 31 -12.665 -11.964 3.205 1.00 0.00 C ATOM 476 OE1 GLU A 31 -13.755 -11.371 3.061 1.00 0.00 O ATOM 477 OE2 GLU A 31 -12.211 -12.329 4.318 1.00 0.00 O ATOM 0 H GLU A 31 -11.201 -9.528 2.934 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.650 -11.823 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.836 -10.463 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.889 -11.675 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.690 -12.857 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.259 -13.227 2.200 1.00 0.00 H new ATOM 484 N ASP A 32 -8.922 -9.325 0.446 1.00 0.00 N ATOM 485 CA ASP A 32 -7.842 -8.793 -0.414 1.00 0.00 C ATOM 486 C ASP A 32 -6.547 -8.823 0.385 1.00 0.00 C ATOM 487 O ASP A 32 -5.629 -9.513 -0.017 1.00 0.00 O ATOM 488 CB ASP A 32 -8.183 -7.367 -0.854 1.00 0.00 C ATOM 489 CG ASP A 32 -7.050 -6.558 -1.503 1.00 0.00 C ATOM 490 OD1 ASP A 32 -5.917 -6.459 -0.992 1.00 0.00 O ATOM 491 OD2 ASP A 32 -7.360 -5.873 -2.499 1.00 0.00 O ATOM 0 H ASP A 32 -9.755 -8.737 0.467 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.730 -9.399 -1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.013 -7.417 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.538 -6.817 0.018 1.00 0.00 H new ATOM 496 N PHE A 33 -6.488 -8.187 1.556 1.00 0.00 N ATOM 497 CA PHE A 33 -5.264 -8.105 2.348 1.00 0.00 C ATOM 498 C PHE A 33 -4.715 -9.471 2.792 1.00 0.00 C ATOM 499 O PHE A 33 -3.507 -9.599 3.030 1.00 0.00 O ATOM 500 CB PHE A 33 -5.580 -7.248 3.588 1.00 0.00 C ATOM 501 CG PHE A 33 -5.838 -5.773 3.329 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.952 -5.020 2.539 1.00 0.00 C ATOM 503 CD2 PHE A 33 -6.970 -5.144 3.879 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.220 -3.669 2.259 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.243 -3.795 3.595 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.371 -3.054 2.780 1.00 0.00 C ATOM 0 H PHE A 33 -7.287 -7.716 1.980 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.486 -7.665 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.456 -7.669 4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.748 -7.334 4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.059 -5.483 2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.633 -5.701 4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.539 -3.102 1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.126 -3.327 4.004 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.584 -2.019 2.556 1.00 0.00 H new ATOM 516 N TYR A 34 -5.572 -10.484 2.925 1.00 0.00 N ATOM 517 CA TYR A 34 -5.221 -11.853 3.268 1.00 0.00 C ATOM 518 C TYR A 34 -4.727 -12.631 2.041 1.00 0.00 C ATOM 519 O TYR A 34 -3.742 -13.366 2.143 1.00 0.00 O ATOM 520 CB TYR A 34 -6.448 -12.522 3.906 1.00 0.00 C ATOM 521 CG TYR A 34 -6.328 -14.013 4.135 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.511 -14.508 5.167 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.062 -14.903 3.329 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.446 -15.890 5.411 1.00 0.00 C ATOM 525 CE2 TYR A 34 -7.014 -16.285 3.579 1.00 0.00 C ATOM 526 CZ TYR A 34 -6.222 -16.781 4.638 1.00 0.00 C ATOM 527 OH TYR A 34 -6.189 -18.120 4.878 1.00 0.00 O ATOM 0 H TYR A 34 -6.575 -10.361 2.789 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.396 -11.852 3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.648 -12.039 4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.313 -12.338 3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.933 -13.825 5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.664 -14.523 2.516 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.802 -16.271 6.190 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.582 -16.966 2.963 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.786 -18.580 4.251 1.00 0.00 H new ATOM 537 N ASN A 35 -5.389 -12.505 0.890 1.00 0.00 N ATOM 538 CA ASN A 35 -5.062 -13.206 -0.353 1.00 0.00 C ATOM 539 C ASN A 35 -4.185 -12.375 -1.294 1.00 0.00 C ATOM 540 O ASN A 35 -3.829 -12.871 -2.358 1.00 0.00 O ATOM 541 CB ASN A 35 -6.311 -13.752 -1.083 1.00 0.00 C ATOM 542 CG ASN A 35 -7.524 -12.861 -1.127 1.00 0.00 C ATOM 543 OD1 ASN A 35 -7.425 -11.700 -1.473 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.710 -13.397 -0.884 1.00 0.00 N ATOM 0 H ASN A 35 -6.197 -11.890 0.794 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.470 -14.069 -0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.027 -13.988 -2.109 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.597 -14.690 -0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.555 -12.834 -0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.779 -14.373 -0.594 1.00 0.00 H new ATOM 551 N PHE A 36 -3.763 -11.174 -0.904 1.00 0.00 N ATOM 552 CA PHE A 36 -2.988 -10.220 -1.695 1.00 0.00 C ATOM 553 C PHE A 36 -1.795 -10.918 -2.361 1.00 0.00 C ATOM 554 O PHE A 36 -1.536 -10.749 -3.553 1.00 0.00 O ATOM 555 CB PHE A 36 -2.581 -9.057 -0.764 1.00 0.00 C ATOM 556 CG PHE A 36 -1.804 -7.929 -1.401 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.447 -7.000 -2.237 1.00 0.00 C ATOM 558 CD2 PHE A 36 -0.456 -7.744 -1.068 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.719 -5.934 -2.806 1.00 0.00 C ATOM 560 CE2 PHE A 36 0.261 -6.669 -1.613 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.353 -5.784 -2.505 1.00 0.00 C ATOM 0 H PHE A 36 -3.966 -10.819 0.031 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.578 -9.811 -2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.486 -8.641 -0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.985 -9.465 0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.502 -7.103 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.032 -8.430 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.208 -5.236 -3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.296 -6.523 -1.342 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.219 -4.989 -2.961 1.00 0.00 H new ATOM 571 N TRP A 37 -1.130 -11.802 -1.615 1.00 0.00 N ATOM 572 CA TRP A 37 0.024 -12.581 -2.034 1.00 0.00 C ATOM 573 C TRP A 37 -0.369 -13.927 -2.658 1.00 0.00 C ATOM 574 O TRP A 37 0.197 -14.960 -2.292 1.00 0.00 O ATOM 575 CB TRP A 37 0.951 -12.735 -0.818 1.00 0.00 C ATOM 576 CG TRP A 37 1.425 -11.444 -0.232 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.187 -10.999 1.021 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.134 -10.369 -0.909 1.00 0.00 C ATOM 579 NE1 TRP A 37 1.779 -9.764 1.188 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.381 -9.324 0.027 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.536 -10.151 -2.240 1.00 0.00 C ATOM 582 CZ2 TRP A 37 3.006 -8.125 -0.346 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.114 -8.938 -2.637 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.341 -7.926 -1.698 1.00 0.00 C ATOM 0 H TRP A 37 -1.401 -12.000 -0.652 1.00 0.00 H new ATOM 0 HA TRP A 37 0.553 -12.058 -2.831 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.427 -13.299 -0.046 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.818 -13.327 -1.111 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.622 -11.527 1.774 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.772 -9.240 2.063 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.396 -10.934 -2.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.226 -7.368 0.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.385 -8.784 -3.671 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.775 -6.988 -2.012 1.00 0.00 H new ATOM 595 N LYS A 38 -1.337 -13.949 -3.582 1.00 0.00 N ATOM 596 CA LYS A 38 -1.648 -15.090 -4.424 1.00 0.00 C ATOM 597 C LYS A 38 -0.986 -14.945 -5.787 1.00 0.00 C ATOM 598 O LYS A 38 -0.582 -13.855 -6.191 1.00 0.00 O ATOM 599 CB LYS A 38 -3.172 -15.188 -4.574 1.00 0.00 C ATOM 600 CG LYS A 38 -3.725 -16.406 -3.844 1.00 0.00 C ATOM 601 CD LYS A 38 -3.661 -16.258 -2.314 1.00 0.00 C ATOM 602 CE LYS A 38 -3.519 -17.634 -1.657 1.00 0.00 C ATOM 603 NZ LYS A 38 -2.138 -18.177 -1.672 1.00 0.00 N ATOM 0 H LYS A 38 -1.938 -13.145 -3.763 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.265 -16.001 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.637 -14.284 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.432 -15.246 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.760 -16.568 -4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.163 -17.291 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.818 -15.626 -2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.562 -15.764 -1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.860 -17.567 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.179 -18.337 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.126 -19.109 -1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.814 -18.274 -2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.505 -17.529 -1.161 1.00 0.00 H new ATOM 617 N GLU A 39 -0.968 -16.038 -6.543 1.00 0.00 N ATOM 618 CA GLU A 39 -0.227 -16.171 -7.801 1.00 0.00 C ATOM 619 C GLU A 39 -1.062 -15.872 -9.050 1.00 0.00 C ATOM 620 O GLU A 39 -0.746 -16.281 -10.172 1.00 0.00 O ATOM 621 CB GLU A 39 0.396 -17.577 -7.865 1.00 0.00 C ATOM 622 CG GLU A 39 -0.668 -18.695 -7.883 1.00 0.00 C ATOM 623 CD GLU A 39 -0.061 -20.042 -8.275 1.00 0.00 C ATOM 624 OE1 GLU A 39 0.607 -20.654 -7.421 1.00 0.00 O ATOM 625 OE2 GLU A 39 -0.261 -20.454 -9.444 1.00 0.00 O ATOM 0 H GLU A 39 -1.482 -16.883 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 39 0.555 -15.411 -7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.016 -17.656 -8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.053 -17.719 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.129 -18.775 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.460 -18.434 -8.585 1.00 0.00 H new ATOM 632 N GLY A 40 -2.116 -15.096 -8.868 1.00 0.00 N ATOM 633 CA GLY A 40 -3.067 -14.737 -9.905 1.00 0.00 C ATOM 634 C GLY A 40 -4.355 -14.267 -9.274 1.00 0.00 C ATOM 635 O GLY A 40 -5.442 -14.631 -9.717 1.00 0.00 O ATOM 0 H GLY A 40 -2.341 -14.684 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.652 -13.951 -10.536 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.258 -15.595 -10.549 1.00 0.00 H new ATOM 639 N TYR A 41 -4.232 -13.495 -8.199 1.00 0.00 N ATOM 640 CA TYR A 41 -5.360 -12.770 -7.664 1.00 0.00 C ATOM 641 C TYR A 41 -5.373 -11.398 -8.320 1.00 0.00 C ATOM 642 O TYR A 41 -4.319 -10.788 -8.523 1.00 0.00 O ATOM 643 CB TYR A 41 -5.211 -12.695 -6.157 1.00 0.00 C ATOM 644 CG TYR A 41 -6.396 -12.088 -5.465 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.550 -10.690 -5.417 1.00 0.00 C ATOM 646 CD2 TYR A 41 -7.301 -12.936 -4.808 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.564 -10.138 -4.609 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.368 -12.389 -4.096 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.490 -10.985 -3.969 1.00 0.00 C ATOM 650 OH TYR A 41 -9.403 -10.454 -3.117 1.00 0.00 O ATOM 0 H TYR A 41 -3.360 -13.361 -7.687 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.311 -13.260 -7.874 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.048 -13.699 -5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.322 -12.111 -5.917 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.899 -10.048 -5.992 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.172 -14.007 -4.854 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.631 -9.068 -4.481 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.102 -13.038 -3.641 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.180 -10.710 -2.198 1.00 0.00 H new ATOM 660 N GLU A 42 -6.554 -10.879 -8.635 1.00 0.00 N ATOM 661 CA GLU A 42 -6.744 -9.555 -9.154 1.00 0.00 C ATOM 662 C GLU A 42 -7.767 -8.869 -8.259 1.00 0.00 C ATOM 663 O GLU A 42 -8.742 -9.455 -7.789 1.00 0.00 O ATOM 664 CB GLU A 42 -7.083 -9.661 -10.646 1.00 0.00 C ATOM 665 CG GLU A 42 -7.897 -8.489 -11.190 1.00 0.00 C ATOM 666 CD GLU A 42 -7.708 -8.164 -12.681 1.00 0.00 C ATOM 667 OE1 GLU A 42 -8.164 -8.916 -13.576 1.00 0.00 O ATOM 668 OE2 GLU A 42 -7.197 -7.062 -12.979 1.00 0.00 O ATOM 0 H GLU A 42 -7.427 -11.396 -8.528 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.856 -8.923 -9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.155 -9.738 -11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.638 -10.584 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.953 -8.695 -11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.646 -7.600 -10.611 1.00 0.00 H new ATOM 675 N ILE A 43 -7.439 -7.620 -7.979 1.00 0.00 N ATOM 676 CA ILE A 43 -7.908 -6.753 -6.928 1.00 0.00 C ATOM 677 C ILE A 43 -8.928 -5.841 -7.583 1.00 0.00 C ATOM 678 O ILE A 43 -8.558 -4.952 -8.355 1.00 0.00 O ATOM 679 CB ILE A 43 -6.694 -5.992 -6.348 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.776 -6.982 -5.597 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.182 -4.850 -5.452 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.474 -6.376 -5.080 1.00 0.00 C ATOM 0 H ILE A 43 -6.753 -7.137 -8.559 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.374 -7.276 -6.093 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.106 -5.546 -7.150 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.327 -7.399 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.536 -7.811 -6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.324 -4.315 -5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.793 -4.163 -6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.777 -5.258 -4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.894 -7.143 -4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.897 -5.985 -5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.700 -5.567 -4.386 1.00 0.00 H new ATOM 694 N LYS A 44 -10.213 -6.097 -7.339 1.00 0.00 N ATOM 695 CA LYS A 44 -11.280 -5.380 -8.025 1.00 0.00 C ATOM 696 C LYS A 44 -12.258 -4.704 -7.057 1.00 0.00 C ATOM 697 O LYS A 44 -13.133 -3.972 -7.518 1.00 0.00 O ATOM 698 CB LYS A 44 -11.985 -6.322 -9.022 1.00 0.00 C ATOM 699 CG LYS A 44 -11.100 -6.886 -10.153 1.00 0.00 C ATOM 700 CD LYS A 44 -10.887 -5.950 -11.358 1.00 0.00 C ATOM 701 CE LYS A 44 -9.495 -5.322 -11.317 1.00 0.00 C ATOM 702 NZ LYS A 44 -9.249 -4.364 -12.409 1.00 0.00 N ATOM 0 H LYS A 44 -10.537 -6.796 -6.671 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.832 -4.562 -8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.408 -7.159 -8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.819 -5.785 -9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.126 -7.140 -9.736 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.545 -7.814 -10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.011 -6.509 -12.285 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.645 -5.166 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.363 -4.814 -10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.747 -6.113 -11.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.288 -3.976 -12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.344 -4.849 -13.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.941 -3.590 -12.354 1.00 0.00 H new ATOM 716 N ASN A 45 -12.156 -4.907 -5.737 1.00 0.00 N ATOM 717 CA ASN A 45 -12.938 -4.117 -4.787 1.00 0.00 C ATOM 718 C ASN A 45 -12.316 -2.734 -4.704 1.00 0.00 C ATOM 719 O ASN A 45 -11.257 -2.603 -4.100 1.00 0.00 O ATOM 720 CB ASN A 45 -12.963 -4.743 -3.380 1.00 0.00 C ATOM 721 CG ASN A 45 -14.027 -4.061 -2.528 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.514 -2.986 -2.859 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.401 -4.656 -1.413 1.00 0.00 N ATOM 0 H ASN A 45 -11.546 -5.604 -5.310 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.968 -4.077 -5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -13.171 -5.811 -3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.986 -4.639 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.103 -4.222 -0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.988 -5.550 -1.149 1.00 0.00 H new ATOM 730 N ARG A 46 -12.942 -1.689 -5.247 1.00 0.00 N ATOM 731 CA ARG A 46 -12.476 -0.310 -5.132 1.00 0.00 C ATOM 732 C ARG A 46 -12.237 0.070 -3.665 1.00 0.00 C ATOM 733 O ARG A 46 -11.401 0.935 -3.392 1.00 0.00 O ATOM 734 CB ARG A 46 -13.570 0.561 -5.786 1.00 0.00 C ATOM 735 CG ARG A 46 -13.585 2.041 -5.393 1.00 0.00 C ATOM 736 CD ARG A 46 -14.865 2.718 -5.893 1.00 0.00 C ATOM 737 NE ARG A 46 -14.860 4.166 -5.639 1.00 0.00 N ATOM 738 CZ ARG A 46 -15.560 4.860 -4.733 1.00 0.00 C ATOM 739 NH1 ARG A 46 -16.318 4.289 -3.800 1.00 0.00 N ATOM 740 NH2 ARG A 46 -15.490 6.178 -4.793 1.00 0.00 N ATOM 0 H ARG A 46 -13.802 -1.781 -5.788 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.518 -0.164 -5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.458 0.496 -6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.541 0.132 -5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.516 2.136 -4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.713 2.543 -5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.976 2.538 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.728 2.267 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.240 4.716 -6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.387 3.273 -3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.830 4.868 -3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.919 6.626 -5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.007 6.747 -4.123 1.00 0.00 H new ATOM 754 N GLU A 47 -12.955 -0.557 -2.728 1.00 0.00 N ATOM 755 CA GLU A 47 -12.819 -0.245 -1.312 1.00 0.00 C ATOM 756 C GLU A 47 -11.434 -0.630 -0.791 1.00 0.00 C ATOM 757 O GLU A 47 -10.984 0.005 0.162 1.00 0.00 O ATOM 758 CB GLU A 47 -13.923 -0.900 -0.461 1.00 0.00 C ATOM 759 CG GLU A 47 -15.318 -0.436 -0.886 1.00 0.00 C ATOM 760 CD GLU A 47 -16.404 -1.235 -0.181 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.505 -2.463 -0.421 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.196 -0.607 0.560 1.00 0.00 O ATOM 0 H GLU A 47 -13.638 -1.286 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.935 0.835 -1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.857 -1.984 -0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.764 -0.658 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.437 0.623 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.427 -0.544 -1.965 1.00 0.00 H new ATOM 769 N THR A 48 -10.732 -1.608 -1.391 1.00 0.00 N ATOM 770 CA THR A 48 -9.394 -1.935 -0.911 1.00 0.00 C ATOM 771 C THR A 48 -8.448 -0.772 -1.262 1.00 0.00 C ATOM 772 O THR A 48 -7.694 -0.308 -0.410 1.00 0.00 O ATOM 773 CB THR A 48 -8.891 -3.343 -1.285 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.450 -3.511 -2.610 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.924 -4.428 -1.000 1.00 0.00 C ATOM 0 H THR A 48 -11.061 -2.164 -2.181 1.00 0.00 H new ATOM 0 HA THR A 48 -9.426 -2.025 0.175 1.00 0.00 H new ATOM 0 HB THR A 48 -8.020 -3.447 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.941 -4.345 -2.682 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.518 -5.400 -1.282 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.166 -4.430 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.827 -4.231 -1.577 1.00 0.00 H new ATOM 783 N GLY A 49 -8.592 -0.209 -2.471 1.00 0.00 N ATOM 784 CA GLY A 49 -7.975 1.027 -2.939 1.00 0.00 C ATOM 785 C GLY A 49 -8.098 2.156 -1.919 1.00 0.00 C ATOM 786 O GLY A 49 -7.102 2.751 -1.503 1.00 0.00 O ATOM 0 H GLY A 49 -9.180 -0.636 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.922 0.847 -3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.443 1.333 -3.875 1.00 0.00 H new ATOM 790 N CYS A 50 -9.333 2.473 -1.517 1.00 0.00 N ATOM 791 CA CYS A 50 -9.558 3.526 -0.534 1.00 0.00 C ATOM 792 C CYS A 50 -9.072 3.151 0.869 1.00 0.00 C ATOM 793 O CYS A 50 -8.589 4.033 1.576 1.00 0.00 O ATOM 794 CB CYS A 50 -11.025 3.970 -0.516 1.00 0.00 C ATOM 795 SG CYS A 50 -11.203 5.671 -1.118 1.00 0.00 S ATOM 0 H CYS A 50 -10.181 2.018 -1.856 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.951 4.374 -0.851 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.619 3.298 -1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.417 3.898 0.498 1.00 0.00 H new ATOM 800 N ALA A 51 -9.172 1.884 1.289 1.00 0.00 N ATOM 801 CA ALA A 51 -8.643 1.445 2.577 1.00 0.00 C ATOM 802 C ALA A 51 -7.142 1.708 2.638 1.00 0.00 C ATOM 803 O ALA A 51 -6.669 2.309 3.601 1.00 0.00 O ATOM 804 CB ALA A 51 -8.921 -0.040 2.823 1.00 0.00 C ATOM 0 H ALA A 51 -9.618 1.143 0.748 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.147 2.014 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.513 -0.331 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.997 -0.215 2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.451 -0.633 2.038 1.00 0.00 H new ATOM 810 N ILE A 52 -6.412 1.295 1.599 1.00 0.00 N ATOM 811 CA ILE A 52 -4.989 1.551 1.425 1.00 0.00 C ATOM 812 C ILE A 52 -4.750 3.049 1.571 1.00 0.00 C ATOM 813 O ILE A 52 -3.956 3.436 2.416 1.00 0.00 O ATOM 814 CB ILE A 52 -4.512 0.952 0.079 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.468 -0.581 0.234 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.138 1.458 -0.399 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.334 -1.325 -1.090 1.00 0.00 C ATOM 0 H ILE A 52 -6.814 0.755 0.832 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.389 1.059 2.191 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.221 1.275 -0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.630 -0.849 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.376 -0.913 0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.886 0.985 -1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.174 2.539 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.380 1.208 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.309 -2.399 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.185 -1.087 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.412 -1.022 -1.586 1.00 0.00 H new ATOM 829 N MET A 53 -5.461 3.896 0.823 1.00 0.00 N ATOM 830 CA MET A 53 -5.255 5.338 0.887 1.00 0.00 C ATOM 831 C MET A 53 -5.473 5.896 2.302 1.00 0.00 C ATOM 832 O MET A 53 -4.709 6.751 2.755 1.00 0.00 O ATOM 833 CB MET A 53 -6.175 6.024 -0.128 1.00 0.00 C ATOM 834 CG MET A 53 -5.609 7.398 -0.490 1.00 0.00 C ATOM 835 SD MET A 53 -6.577 8.325 -1.706 1.00 0.00 S ATOM 836 CE MET A 53 -8.156 8.421 -0.828 1.00 0.00 C ATOM 0 H MET A 53 -6.185 3.604 0.166 1.00 0.00 H new ATOM 0 HA MET A 53 -4.216 5.548 0.635 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.266 5.410 -1.024 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.177 6.131 0.288 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.530 7.993 0.420 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.598 7.268 -0.875 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.738 9.257 -1.216 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.711 7.494 -0.974 1.00 0.00 H new ATOM 0 HE3 MET A 53 -7.972 8.570 0.236 1.00 0.00 H new ATOM 846 N CYS A 54 -6.495 5.417 3.021 1.00 0.00 N ATOM 847 CA CYS A 54 -6.744 5.822 4.399 1.00 0.00 C ATOM 848 C CYS A 54 -5.585 5.407 5.298 1.00 0.00 C ATOM 849 O CYS A 54 -5.119 6.222 6.092 1.00 0.00 O ATOM 850 CB CYS A 54 -8.064 5.243 4.912 1.00 0.00 C ATOM 851 SG CYS A 54 -8.470 5.735 6.609 1.00 0.00 S ATOM 0 H CYS A 54 -7.168 4.740 2.660 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.824 6.909 4.423 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.870 5.559 4.250 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.017 4.155 4.861 1.00 0.00 H new ATOM 856 N LEU A 55 -5.111 4.165 5.172 1.00 0.00 N ATOM 857 CA LEU A 55 -3.962 3.667 5.912 1.00 0.00 C ATOM 858 C LEU A 55 -2.749 4.546 5.606 1.00 0.00 C ATOM 859 O LEU A 55 -2.136 5.046 6.540 1.00 0.00 O ATOM 860 CB LEU A 55 -3.683 2.191 5.568 1.00 0.00 C ATOM 861 CG LEU A 55 -4.710 1.189 6.132 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.422 -0.215 5.594 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.666 1.165 7.662 1.00 0.00 C ATOM 0 H LEU A 55 -5.523 3.474 4.545 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.173 3.713 6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.651 2.085 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.694 1.926 5.943 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.703 1.507 5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.152 -0.916 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.488 -0.208 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.420 -0.521 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.399 0.451 8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.670 0.870 7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.897 2.158 8.048 1.00 0.00 H new ATOM 875 N SER A 56 -2.430 4.814 4.339 1.00 0.00 N ATOM 876 CA SER A 56 -1.361 5.717 3.925 1.00 0.00 C ATOM 877 C SER A 56 -1.450 7.077 4.631 1.00 0.00 C ATOM 878 O SER A 56 -0.466 7.502 5.243 1.00 0.00 O ATOM 879 CB SER A 56 -1.385 5.875 2.405 1.00 0.00 C ATOM 880 OG SER A 56 -1.306 4.617 1.755 1.00 0.00 O ATOM 0 H SER A 56 -2.924 4.395 3.551 1.00 0.00 H new ATOM 0 HA SER A 56 -0.408 5.279 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.300 6.385 2.105 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.552 6.503 2.089 1.00 0.00 H new ATOM 0 HG SER A 56 -2.183 4.181 1.779 1.00 0.00 H new ATOM 886 N THR A 57 -2.621 7.728 4.643 1.00 0.00 N ATOM 887 CA THR A 57 -2.853 8.914 5.465 1.00 0.00 C ATOM 888 C THR A 57 -2.494 8.646 6.931 1.00 0.00 C ATOM 889 O THR A 57 -1.785 9.442 7.552 1.00 0.00 O ATOM 890 CB THR A 57 -4.324 9.360 5.355 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.585 9.933 4.091 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.677 10.349 6.471 1.00 0.00 C ATOM 0 H THR A 57 -3.427 7.446 4.085 1.00 0.00 H new ATOM 0 HA THR A 57 -2.210 9.712 5.095 1.00 0.00 H new ATOM 0 HB THR A 57 -4.951 8.475 5.466 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.525 10.207 4.044 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.720 10.650 6.374 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.526 9.873 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.037 11.228 6.394 1.00 0.00 H new ATOM 900 N LYS A 58 -3.042 7.589 7.531 1.00 0.00 N ATOM 901 CA LYS A 58 -2.923 7.347 8.964 1.00 0.00 C ATOM 902 C LYS A 58 -1.471 7.077 9.362 1.00 0.00 C ATOM 903 O LYS A 58 -1.059 7.429 10.464 1.00 0.00 O ATOM 904 CB LYS A 58 -3.839 6.199 9.389 1.00 0.00 C ATOM 905 CG LYS A 58 -5.340 6.468 9.143 1.00 0.00 C ATOM 906 CD LYS A 58 -6.137 6.592 10.443 1.00 0.00 C ATOM 907 CE LYS A 58 -7.590 7.003 10.186 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.168 7.730 11.334 1.00 0.00 N ATOM 0 H LYS A 58 -3.580 6.878 7.035 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.241 8.247 9.490 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.549 5.298 8.849 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.685 5.999 10.449 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.451 7.385 8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.756 5.660 8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.118 5.640 10.973 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.661 7.327 11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.638 7.632 9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.188 6.115 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.107 7.341 11.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.547 7.623 12.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.258 8.739 11.097 1.00 0.00 H new ATOM 922 N LEU A 59 -0.680 6.509 8.454 1.00 0.00 N ATOM 923 CA LEU A 59 0.750 6.250 8.607 1.00 0.00 C ATOM 924 C LEU A 59 1.575 7.456 8.143 1.00 0.00 C ATOM 925 O LEU A 59 2.802 7.397 8.092 1.00 0.00 O ATOM 926 CB LEU A 59 1.153 5.012 7.798 1.00 0.00 C ATOM 927 CG LEU A 59 0.300 3.765 8.117 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.362 2.827 6.921 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.747 3.034 9.384 1.00 0.00 C ATOM 0 H LEU A 59 -1.036 6.202 7.549 1.00 0.00 H new ATOM 0 HA LEU A 59 0.951 6.073 9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.068 5.239 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.201 4.785 7.993 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.721 4.096 8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.235 1.938 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.032 3.334 6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.397 2.536 6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.106 2.168 9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.780 2.704 9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.675 3.708 10.238 1.00 0.00 H new ATOM 941 N ASN A 60 0.898 8.550 7.797 1.00 0.00 N ATOM 942 CA ASN A 60 1.419 9.880 7.556 1.00 0.00 C ATOM 943 C ASN A 60 2.254 9.968 6.273 1.00 0.00 C ATOM 944 O ASN A 60 3.287 10.639 6.231 1.00 0.00 O ATOM 945 CB ASN A 60 2.114 10.391 8.824 1.00 0.00 C ATOM 946 CG ASN A 60 2.089 11.898 8.930 1.00 0.00 C ATOM 947 OD1 ASN A 60 1.284 12.447 9.682 1.00 0.00 O ATOM 948 ND2 ASN A 60 2.947 12.569 8.201 1.00 0.00 N ATOM 0 H ASN A 60 -0.113 8.518 7.669 1.00 0.00 H new ATOM 0 HA ASN A 60 0.594 10.562 7.354 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.628 9.960 9.699 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.148 10.047 8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.965 13.588 8.243 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.596 12.072 7.591 1.00 0.00 H new ATOM 955 N MET A 61 1.845 9.266 5.215 1.00 0.00 N ATOM 956 CA MET A 61 2.599 9.204 3.957 1.00 0.00 C ATOM 957 C MET A 61 2.137 10.267 2.957 1.00 0.00 C ATOM 958 O MET A 61 2.438 10.132 1.775 1.00 0.00 O ATOM 959 CB MET A 61 2.522 7.793 3.339 1.00 0.00 C ATOM 960 CG MET A 61 3.317 6.785 4.163 1.00 0.00 C ATOM 961 SD MET A 61 3.157 5.068 3.612 1.00 0.00 S ATOM 962 CE MET A 61 3.797 4.251 5.089 1.00 0.00 C ATOM 0 H MET A 61 0.981 8.723 5.204 1.00 0.00 H new ATOM 0 HA MET A 61 3.641 9.419 4.194 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.481 7.476 3.278 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.908 7.818 2.320 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.370 7.064 4.137 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.995 6.851 5.202 1.00 0.00 H new ATOM 0 HE1 MET A 61 4.242 3.295 4.812 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.553 4.882 5.555 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.982 4.081 5.793 1.00 0.00 H new ATOM 972 N LEU A 62 1.428 11.322 3.365 1.00 0.00 N ATOM 973 CA LEU A 62 0.962 12.358 2.451 1.00 0.00 C ATOM 974 C LEU A 62 1.548 13.698 2.855 1.00 0.00 C ATOM 975 O LEU A 62 1.377 14.189 3.967 1.00 0.00 O ATOM 976 CB LEU A 62 -0.567 12.353 2.342 1.00 0.00 C ATOM 977 CG LEU A 62 -1.090 11.146 1.540 1.00 0.00 C ATOM 978 CD1 LEU A 62 -2.609 11.103 1.614 1.00 0.00 C ATOM 979 CD2 LEU A 62 -0.710 11.199 0.056 1.00 0.00 C ATOM 0 H LEU A 62 1.163 11.479 4.337 1.00 0.00 H new ATOM 0 HA LEU A 62 1.320 12.150 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.001 12.338 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.898 13.275 1.865 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.631 10.264 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.977 10.249 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.920 11.008 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.020 12.021 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.108 10.321 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.127 12.100 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.376 11.214 -0.041 1.00 0.00 H new ATOM 1053 N LEU A 68 2.256 12.217 -2.286 1.00 0.00 N ATOM 1054 CA LEU A 68 2.980 11.286 -1.417 1.00 0.00 C ATOM 1055 C LEU A 68 4.216 11.904 -0.769 1.00 0.00 C ATOM 1056 O LEU A 68 5.127 12.403 -1.427 1.00 0.00 O ATOM 1057 CB LEU A 68 3.251 9.957 -2.138 1.00 0.00 C ATOM 1058 CG LEU A 68 3.286 8.711 -1.228 1.00 0.00 C ATOM 1059 CD1 LEU A 68 2.644 7.540 -1.964 1.00 0.00 C ATOM 1060 CD2 LEU A 68 4.664 8.272 -0.734 1.00 0.00 C ATOM 0 HA LEU A 68 2.330 11.054 -0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.483 9.811 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.205 10.033 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 68 2.739 9.007 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.665 6.655 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.611 7.787 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.197 7.340 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.560 7.388 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.299 8.037 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.117 9.078 -0.156 1.00 0.00 H new ATOM 1072 N HIS A 69 4.258 11.865 0.564 1.00 0.00 N ATOM 1073 CA HIS A 69 5.444 12.218 1.320 1.00 0.00 C ATOM 1074 C HIS A 69 6.447 11.082 1.156 1.00 0.00 C ATOM 1075 O HIS A 69 6.628 10.268 2.058 1.00 0.00 O ATOM 1076 CB HIS A 69 5.140 12.515 2.801 1.00 0.00 C ATOM 1077 CG HIS A 69 6.191 13.362 3.482 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.503 13.515 3.089 1.00 0.00 N ATOM 1079 CD2 HIS A 69 6.002 14.156 4.582 1.00 0.00 C ATOM 1080 CE1 HIS A 69 8.111 14.315 3.978 1.00 0.00 C ATOM 1081 NE2 HIS A 69 7.236 14.737 4.908 1.00 0.00 N ATOM 0 H HIS A 69 3.466 11.587 1.143 1.00 0.00 H new ATOM 0 HA HIS A 69 5.861 13.147 0.932 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.178 13.022 2.870 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.043 11.572 3.338 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.069 14.308 5.105 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.157 14.583 3.951 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.431 15.357 5.694 1.00 0.00 H new ATOM 1089 N HIS A 70 7.111 11.020 0.006 1.00 0.00 N ATOM 1090 CA HIS A 70 8.136 10.028 -0.293 1.00 0.00 C ATOM 1091 C HIS A 70 9.242 10.060 0.763 1.00 0.00 C ATOM 1092 O HIS A 70 9.782 9.018 1.137 1.00 0.00 O ATOM 1093 CB HIS A 70 8.691 10.320 -1.684 1.00 0.00 C ATOM 1094 CG HIS A 70 7.664 10.102 -2.766 1.00 0.00 C ATOM 1095 ND1 HIS A 70 7.027 11.063 -3.523 1.00 0.00 N ATOM 1096 CD2 HIS A 70 7.106 8.895 -3.091 1.00 0.00 C ATOM 1097 CE1 HIS A 70 6.130 10.436 -4.301 1.00 0.00 C ATOM 1098 NE2 HIS A 70 6.145 9.114 -4.071 1.00 0.00 N ATOM 0 H HIS A 70 6.947 11.673 -0.760 1.00 0.00 H new ATOM 0 HA HIS A 70 7.706 9.027 -0.275 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.044 11.351 -1.723 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.554 9.680 -1.870 1.00 0.00 H new ATOM 0 HD1 HIS A 70 7.205 12.067 -3.497 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.367 7.939 -2.661 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.485 10.928 -5.014 1.00 0.00 H new ATOM 1106 N GLY A 71 9.518 11.256 1.286 1.00 0.00 N ATOM 1107 CA GLY A 71 10.309 11.482 2.478 1.00 0.00 C ATOM 1108 C GLY A 71 9.888 10.579 3.643 1.00 0.00 C ATOM 1109 O GLY A 71 10.687 9.786 4.146 1.00 0.00 O ATOM 0 H GLY A 71 9.179 12.122 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.361 11.309 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.216 12.525 2.779 1.00 0.00 H new ATOM 1113 N ASN A 72 8.638 10.701 4.101 1.00 0.00 N ATOM 1114 CA ASN A 72 8.167 9.966 5.271 1.00 0.00 C ATOM 1115 C ASN A 72 7.916 8.487 4.971 1.00 0.00 C ATOM 1116 O ASN A 72 8.103 7.633 5.837 1.00 0.00 O ATOM 1117 CB ASN A 72 6.890 10.595 5.841 1.00 0.00 C ATOM 1118 CG ASN A 72 6.728 10.238 7.313 1.00 0.00 C ATOM 1119 OD1 ASN A 72 7.693 10.010 8.037 1.00 0.00 O ATOM 1120 ND2 ASN A 72 5.514 10.203 7.804 1.00 0.00 N ATOM 0 H ASN A 72 7.935 11.305 3.675 1.00 0.00 H new ATOM 0 HA ASN A 72 8.965 10.029 6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.929 11.678 5.726 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.024 10.246 5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.369 9.986 8.790 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.714 10.393 7.200 1.00 0.00 H new ATOM 1127 N ALA A 73 7.519 8.164 3.740 1.00 0.00 N ATOM 1128 CA ALA A 73 7.458 6.811 3.211 1.00 0.00 C ATOM 1129 C ALA A 73 8.808 6.087 3.385 1.00 0.00 C ATOM 1130 O ALA A 73 8.824 4.917 3.780 1.00 0.00 O ATOM 1131 CB ALA A 73 7.015 6.875 1.751 1.00 0.00 C ATOM 0 H ALA A 73 7.221 8.867 3.063 1.00 0.00 H new ATOM 0 HA ALA A 73 6.727 6.226 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.965 5.866 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.032 7.341 1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.732 7.464 1.179 1.00 0.00 H new ATOM 1137 N MET A 74 9.941 6.765 3.147 1.00 0.00 N ATOM 1138 CA MET A 74 11.263 6.189 3.368 1.00 0.00 C ATOM 1139 C MET A 74 11.549 5.994 4.857 1.00 0.00 C ATOM 1140 O MET A 74 12.117 4.960 5.224 1.00 0.00 O ATOM 1141 CB MET A 74 12.353 7.049 2.713 1.00 0.00 C ATOM 1142 CG MET A 74 13.732 6.428 2.983 1.00 0.00 C ATOM 1143 SD MET A 74 15.033 6.738 1.766 1.00 0.00 S ATOM 1144 CE MET A 74 14.440 5.640 0.450 1.00 0.00 C ATOM 0 H MET A 74 9.960 7.723 2.798 1.00 0.00 H new ATOM 0 HA MET A 74 11.274 5.206 2.898 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.179 7.119 1.639 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.316 8.064 3.109 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.081 6.790 3.950 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.604 5.349 3.073 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.142 4.816 0.320 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.461 5.244 0.720 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.360 6.199 -0.482 1.00 0.00 H new ATOM 1154 N GLU A 75 11.156 6.940 5.723 1.00 0.00 N ATOM 1155 CA GLU A 75 11.278 6.742 7.162 1.00 0.00 C ATOM 1156 C GLU A 75 10.544 5.478 7.549 1.00 0.00 C ATOM 1157 O GLU A 75 11.114 4.671 8.265 1.00 0.00 O ATOM 1158 CB GLU A 75 10.688 7.900 7.983 1.00 0.00 C ATOM 1159 CG GLU A 75 11.741 8.932 8.353 1.00 0.00 C ATOM 1160 CD GLU A 75 11.205 9.951 9.368 1.00 0.00 C ATOM 1161 OE1 GLU A 75 10.770 9.576 10.481 1.00 0.00 O ATOM 1162 OE2 GLU A 75 11.217 11.159 9.027 1.00 0.00 O ATOM 0 H GLU A 75 10.756 7.838 5.449 1.00 0.00 H new ATOM 0 HA GLU A 75 12.344 6.683 7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.894 8.381 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.233 7.505 8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.614 8.428 8.769 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.072 9.453 7.454 1.00 0.00 H new ATOM 1169 N PHE A 76 9.318 5.275 7.060 1.00 0.00 N ATOM 1170 CA PHE A 76 8.507 4.124 7.419 1.00 0.00 C ATOM 1171 C PHE A 76 9.267 2.837 7.134 1.00 0.00 C ATOM 1172 O PHE A 76 9.252 1.910 7.942 1.00 0.00 O ATOM 1173 CB PHE A 76 7.205 4.123 6.620 1.00 0.00 C ATOM 1174 CG PHE A 76 6.233 3.061 7.092 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.355 3.336 8.155 1.00 0.00 C ATOM 1176 CD2 PHE A 76 6.252 1.777 6.510 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.494 2.329 8.623 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.391 0.770 6.982 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.503 1.051 8.034 1.00 0.00 C ATOM 0 H PHE A 76 8.865 5.910 6.403 1.00 0.00 H new ATOM 0 HA PHE A 76 8.279 4.184 8.483 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.734 5.103 6.699 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.430 3.962 5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.342 4.316 8.609 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.931 1.566 5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.820 2.537 9.441 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.412 -0.214 6.538 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.828 0.287 8.390 1.00 0.00 H new ATOM 1189 N ALA A 77 9.930 2.791 5.984 1.00 0.00 N ATOM 1190 CA ALA A 77 10.688 1.646 5.555 1.00 0.00 C ATOM 1191 C ALA A 77 11.835 1.381 6.533 1.00 0.00 C ATOM 1192 O ALA A 77 11.877 0.316 7.152 1.00 0.00 O ATOM 1193 CB ALA A 77 11.141 1.892 4.116 1.00 0.00 C ATOM 0 H ALA A 77 9.949 3.566 5.321 1.00 0.00 H new ATOM 0 HA ALA A 77 10.086 0.737 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.719 1.037 3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.268 2.026 3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.760 2.789 4.078 1.00 0.00 H new ATOM 1199 N LYS A 78 12.761 2.332 6.703 1.00 0.00 N ATOM 1200 CA LYS A 78 13.907 2.158 7.592 1.00 0.00 C ATOM 1201 C LYS A 78 13.450 1.935 9.048 1.00 0.00 C ATOM 1202 O LYS A 78 14.023 1.116 9.764 1.00 0.00 O ATOM 1203 CB LYS A 78 14.852 3.367 7.434 1.00 0.00 C ATOM 1204 CG LYS A 78 16.016 3.143 6.435 1.00 0.00 C ATOM 1205 CD LYS A 78 15.796 3.654 4.991 1.00 0.00 C ATOM 1206 CE LYS A 78 16.716 4.827 4.592 1.00 0.00 C ATOM 1207 NZ LYS A 78 18.161 4.551 4.780 1.00 0.00 N ATOM 0 H LYS A 78 12.735 3.236 6.231 1.00 0.00 H new ATOM 0 HA LYS A 78 14.461 1.261 7.316 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.269 4.228 7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.269 3.617 8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.907 3.626 6.836 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.226 2.074 6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.955 2.829 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.758 3.967 4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.537 5.076 3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.445 5.704 5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.716 5.163 4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.425 4.742 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.356 3.554 4.556 1.00 0.00 H new ATOM 1221 N LYS A 79 12.360 2.572 9.478 1.00 0.00 N ATOM 1222 CA LYS A 79 11.716 2.402 10.781 1.00 0.00 C ATOM 1223 C LYS A 79 11.324 0.956 11.034 1.00 0.00 C ATOM 1224 O LYS A 79 11.381 0.519 12.184 1.00 0.00 O ATOM 1225 CB LYS A 79 10.490 3.324 10.843 1.00 0.00 C ATOM 1226 CG LYS A 79 9.590 3.206 12.084 1.00 0.00 C ATOM 1227 CD LYS A 79 8.588 4.377 12.135 1.00 0.00 C ATOM 1228 CE LYS A 79 7.161 3.936 11.799 1.00 0.00 C ATOM 1229 NZ LYS A 79 6.397 3.495 12.985 1.00 0.00 N ATOM 0 H LYS A 79 11.877 3.256 8.896 1.00 0.00 H new ATOM 0 HA LYS A 79 12.423 2.672 11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.837 4.355 10.773 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.878 3.134 9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.051 2.259 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.202 3.203 12.986 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.603 4.822 13.130 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.901 5.151 11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.634 4.762 11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.199 3.122 11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.440 3.209 12.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.880 2.688 13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.333 4.277 13.667 1.00 0.00 H new ATOM 1243 N HIS A 80 10.894 0.236 10.002 1.00 0.00 N ATOM 1244 CA HIS A 80 10.507 -1.165 10.093 1.00 0.00 C ATOM 1245 C HIS A 80 11.671 -2.133 9.847 1.00 0.00 C ATOM 1246 O HIS A 80 11.458 -3.336 9.998 1.00 0.00 O ATOM 1247 CB HIS A 80 9.345 -1.423 9.127 1.00 0.00 C ATOM 1248 CG HIS A 80 8.064 -0.868 9.681 1.00 0.00 C ATOM 1249 ND1 HIS A 80 7.647 0.437 9.632 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.208 -1.543 10.499 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.569 0.551 10.421 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.276 -0.628 10.989 1.00 0.00 N ATOM 0 H HIS A 80 10.804 0.619 9.061 1.00 0.00 H new ATOM 0 HA HIS A 80 10.187 -1.360 11.117 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.559 -0.964 8.162 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.239 -2.494 8.955 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.079 1.187 9.092 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.245 -2.598 10.727 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.014 1.464 10.577 1.00 0.00 H new ATOM 1260 N GLY A 81 12.866 -1.651 9.477 1.00 0.00 N ATOM 1261 CA GLY A 81 14.048 -2.480 9.250 1.00 0.00 C ATOM 1262 C GLY A 81 14.574 -2.473 7.816 1.00 0.00 C ATOM 1263 O GLY A 81 15.502 -3.233 7.519 1.00 0.00 O ATOM 0 H GLY A 81 13.036 -0.657 9.326 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.843 -2.143 9.915 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.813 -3.507 9.530 1.00 0.00 H new ATOM 1267 N ALA A 82 13.967 -1.705 6.903 1.00 0.00 N ATOM 1268 CA ALA A 82 14.228 -1.852 5.479 1.00 0.00 C ATOM 1269 C ALA A 82 15.663 -1.481 5.113 1.00 0.00 C ATOM 1270 O ALA A 82 16.276 -0.589 5.715 1.00 0.00 O ATOM 1271 CB ALA A 82 13.271 -0.988 4.661 1.00 0.00 C ATOM 0 H ALA A 82 13.292 -0.976 7.133 1.00 0.00 H new ATOM 0 HA ALA A 82 14.073 -2.905 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.484 -1.114 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.244 -1.291 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.401 0.059 4.936 1.00 0.00 H new ATOM 1277 N ASP A 83 16.152 -2.140 4.063 1.00 0.00 N ATOM 1278 CA ASP A 83 17.413 -1.818 3.416 1.00 0.00 C ATOM 1279 C ASP A 83 17.271 -0.472 2.701 1.00 0.00 C ATOM 1280 O ASP A 83 16.167 0.032 2.491 1.00 0.00 O ATOM 1281 CB ASP A 83 17.890 -2.881 2.394 1.00 0.00 C ATOM 1282 CG ASP A 83 17.331 -4.304 2.484 1.00 0.00 C ATOM 1283 OD1 ASP A 83 17.267 -4.904 3.578 1.00 0.00 O ATOM 1284 OD2 ASP A 83 16.996 -4.858 1.414 1.00 0.00 O ATOM 0 H ASP A 83 15.668 -2.929 3.633 1.00 0.00 H new ATOM 0 HA ASP A 83 18.167 -1.786 4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.665 -2.502 1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.975 -2.949 2.472 1.00 0.00 H new ATOM 1289 N GLU A 84 18.390 0.095 2.267 1.00 0.00 N ATOM 1290 CA GLU A 84 18.469 1.354 1.564 1.00 0.00 C ATOM 1291 C GLU A 84 17.897 1.247 0.154 1.00 0.00 C ATOM 1292 O GLU A 84 16.886 1.884 -0.127 1.00 0.00 O ATOM 1293 CB GLU A 84 19.938 1.784 1.585 1.00 0.00 C ATOM 1294 CG GLU A 84 20.073 3.301 1.665 1.00 0.00 C ATOM 1295 CD GLU A 84 20.326 3.957 0.304 1.00 0.00 C ATOM 1296 OE1 GLU A 84 19.769 3.503 -0.714 1.00 0.00 O ATOM 1297 OE2 GLU A 84 21.124 4.921 0.243 1.00 0.00 O ATOM 0 H GLU A 84 19.304 -0.336 2.406 1.00 0.00 H new ATOM 0 HA GLU A 84 17.859 2.115 2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.440 1.327 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.438 1.420 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.164 3.718 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 84 20.892 3.551 2.340 1.00 0.00 H new ATOM 1304 N THR A 85 18.471 0.397 -0.708 1.00 0.00 N ATOM 1305 CA THR A 85 17.990 0.223 -2.080 1.00 0.00 C ATOM 1306 C THR A 85 16.568 -0.303 -2.055 1.00 0.00 C ATOM 1307 O THR A 85 15.793 0.002 -2.950 1.00 0.00 O ATOM 1308 CB THR A 85 18.867 -0.774 -2.850 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.227 -0.508 -2.571 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.614 -0.768 -4.369 1.00 0.00 C ATOM 0 H THR A 85 19.276 -0.184 -0.474 1.00 0.00 H new ATOM 0 HA THR A 85 18.032 1.191 -2.579 1.00 0.00 H new ATOM 0 HB THR A 85 18.598 -1.774 -2.509 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.791 -1.143 -3.059 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.268 -1.496 -4.850 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.574 -1.029 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.821 0.225 -4.768 1.00 0.00 H new ATOM 1318 N MET A 86 16.225 -1.067 -1.017 1.00 0.00 N ATOM 1319 CA MET A 86 14.873 -1.483 -0.771 1.00 0.00 C ATOM 1320 C MET A 86 14.001 -0.250 -0.581 1.00 0.00 C ATOM 1321 O MET A 86 13.149 0.009 -1.413 1.00 0.00 O ATOM 1322 CB MET A 86 14.860 -2.457 0.406 1.00 0.00 C ATOM 1323 CG MET A 86 13.444 -2.772 0.877 1.00 0.00 C ATOM 1324 SD MET A 86 13.135 -4.524 1.194 1.00 0.00 S ATOM 1325 CE MET A 86 13.645 -4.604 2.916 1.00 0.00 C ATOM 0 H MET A 86 16.894 -1.409 -0.327 1.00 0.00 H new ATOM 0 HA MET A 86 14.451 -2.024 -1.618 1.00 0.00 H new ATOM 0 HB2 MET A 86 15.359 -3.382 0.116 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.430 -2.033 1.233 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.244 -2.210 1.789 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.737 -2.421 0.125 1.00 0.00 H new ATOM 0 HE1 MET A 86 13.709 -5.646 3.228 1.00 0.00 H new ATOM 0 HE2 MET A 86 14.620 -4.130 3.029 1.00 0.00 H new ATOM 0 HE3 MET A 86 12.915 -4.084 3.536 1.00 0.00 H new ATOM 1335 N ALA A 87 14.192 0.532 0.474 1.00 0.00 N ATOM 1336 CA ALA A 87 13.383 1.719 0.711 1.00 0.00 C ATOM 1337 C ALA A 87 13.345 2.661 -0.494 1.00 0.00 C ATOM 1338 O ALA A 87 12.291 3.236 -0.756 1.00 0.00 O ATOM 1339 CB ALA A 87 13.847 2.344 2.008 1.00 0.00 C ATOM 0 H ALA A 87 14.905 0.363 1.183 1.00 0.00 H new ATOM 0 HA ALA A 87 12.333 1.451 0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.258 3.238 2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.719 1.631 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.900 2.615 1.925 1.00 0.00 H new ATOM 1345 N GLN A 88 14.438 2.774 -1.253 1.00 0.00 N ATOM 1346 CA GLN A 88 14.431 3.519 -2.497 1.00 0.00 C ATOM 1347 C GLN A 88 13.506 2.857 -3.525 1.00 0.00 C ATOM 1348 O GLN A 88 12.672 3.559 -4.075 1.00 0.00 O ATOM 1349 CB GLN A 88 15.859 3.731 -3.024 1.00 0.00 C ATOM 1350 CG GLN A 88 16.058 5.168 -3.528 1.00 0.00 C ATOM 1351 CD GLN A 88 15.159 5.535 -4.709 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.449 5.196 -5.855 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.079 6.258 -4.473 1.00 0.00 N ATOM 0 H GLN A 88 15.338 2.354 -1.019 1.00 0.00 H new ATOM 0 HA GLN A 88 14.024 4.512 -2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.577 3.518 -2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.059 3.028 -3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.867 5.861 -2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.100 5.300 -3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.848 6.533 -3.518 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.476 6.541 -5.245 1.00 0.00 H new ATOM 1362 N GLN A 89 13.601 1.545 -3.758 1.00 0.00 N ATOM 1363 CA GLN A 89 12.734 0.770 -4.637 1.00 0.00 C ATOM 1364 C GLN A 89 11.271 1.041 -4.319 1.00 0.00 C ATOM 1365 O GLN A 89 10.530 1.392 -5.234 1.00 0.00 O ATOM 1366 CB GLN A 89 13.037 -0.727 -4.509 1.00 0.00 C ATOM 1367 CG GLN A 89 14.117 -1.199 -5.476 1.00 0.00 C ATOM 1368 CD GLN A 89 13.616 -1.839 -6.768 1.00 0.00 C ATOM 1369 OE1 GLN A 89 12.441 -2.025 -7.042 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.545 -2.291 -7.578 1.00 0.00 N ATOM 0 H GLN A 89 14.320 0.972 -3.316 1.00 0.00 H new ATOM 0 HA GLN A 89 12.928 1.076 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.351 -0.943 -3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.123 -1.294 -4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.745 -0.346 -5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.753 -1.918 -4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.530 -2.141 -7.359 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.282 -2.792 -8.427 1.00 0.00 H new ATOM 1379 N LEU A 90 10.823 0.882 -3.060 1.00 0.00 N ATOM 1380 CA LEU A 90 9.431 1.133 -2.755 1.00 0.00 C ATOM 1381 C LEU A 90 9.015 2.541 -3.138 1.00 0.00 C ATOM 1382 O LEU A 90 7.911 2.675 -3.652 1.00 0.00 O ATOM 1383 CB LEU A 90 9.114 0.874 -1.282 1.00 0.00 C ATOM 1384 CG LEU A 90 9.291 -0.577 -0.812 1.00 0.00 C ATOM 1385 CD1 LEU A 90 8.765 -1.669 -1.746 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.677 -0.858 -0.281 1.00 0.00 C ATOM 0 H LEU A 90 11.397 0.589 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 90 8.854 0.430 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.752 1.515 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.084 1.176 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 90 8.605 -0.645 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.949 -2.647 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.694 -1.535 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.277 -1.604 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.741 -1.899 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.412 -0.671 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.880 -0.207 0.569 1.00 0.00 H new ATOM 1398 N ILE A 91 9.844 3.565 -2.917 1.00 0.00 N ATOM 1399 CA ILE A 91 9.487 4.897 -3.373 1.00 0.00 C ATOM 1400 C ILE A 91 9.523 4.952 -4.893 1.00 0.00 C ATOM 1401 O ILE A 91 8.573 5.469 -5.456 1.00 0.00 O ATOM 1402 CB ILE A 91 10.303 6.015 -2.682 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.630 6.346 -1.331 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.341 7.303 -3.534 1.00 0.00 C ATOM 1405 CD1 ILE A 91 10.043 5.407 -0.195 1.00 0.00 C ATOM 0 H ILE A 91 10.742 3.495 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 91 8.461 5.101 -3.066 1.00 0.00 H new ATOM 0 HB ILE A 91 11.325 5.661 -2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.877 7.370 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.548 6.301 -1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.923 8.065 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.802 7.088 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.325 7.666 -3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.532 5.699 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.771 4.383 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.121 5.469 -0.045 1.00 0.00 H new ATOM 1417 N ASP A 92 10.554 4.456 -5.570 1.00 0.00 N ATOM 1418 CA ASP A 92 10.683 4.634 -7.012 1.00 0.00 C ATOM 1419 C ASP A 92 9.496 4.008 -7.740 1.00 0.00 C ATOM 1420 O ASP A 92 8.991 4.599 -8.696 1.00 0.00 O ATOM 1421 CB ASP A 92 12.008 4.067 -7.543 1.00 0.00 C ATOM 1422 CG ASP A 92 12.331 4.663 -8.920 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.333 5.914 -9.044 1.00 0.00 O ATOM 1424 OD2 ASP A 92 12.642 3.908 -9.869 1.00 0.00 O ATOM 0 H ASP A 92 11.314 3.927 -5.142 1.00 0.00 H new ATOM 0 HA ASP A 92 10.687 5.706 -7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.813 4.292 -6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.943 2.981 -7.616 1.00 0.00 H new ATOM 1429 N ILE A 93 8.995 2.874 -7.234 1.00 0.00 N ATOM 1430 CA ILE A 93 7.833 2.187 -7.768 1.00 0.00 C ATOM 1431 C ILE A 93 6.564 2.981 -7.422 1.00 0.00 C ATOM 1432 O ILE A 93 5.717 3.172 -8.294 1.00 0.00 O ATOM 1433 CB ILE A 93 7.797 0.737 -7.224 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.036 -0.088 -7.651 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.543 0.031 -7.759 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.349 -1.335 -6.811 1.00 0.00 C ATOM 0 H ILE A 93 9.402 2.406 -6.424 1.00 0.00 H new ATOM 0 HA ILE A 93 7.889 2.125 -8.855 1.00 0.00 H new ATOM 0 HB ILE A 93 7.790 0.800 -6.136 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.899 -0.399 -8.687 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.907 0.567 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.511 -0.991 -7.380 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.654 0.569 -7.429 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.572 0.013 -8.848 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.237 -1.827 -7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.528 -1.041 -5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.504 -2.023 -6.852 1.00 0.00 H new ATOM 1448 N VAL A 94 6.400 3.407 -6.164 1.00 0.00 N ATOM 1449 CA VAL A 94 5.217 4.121 -5.682 1.00 0.00 C ATOM 1450 C VAL A 94 5.100 5.474 -6.383 1.00 0.00 C ATOM 1451 O VAL A 94 4.096 5.738 -7.051 1.00 0.00 O ATOM 1452 CB VAL A 94 5.277 4.223 -4.141 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.312 5.245 -3.555 1.00 0.00 C ATOM 1454 CG2 VAL A 94 4.910 2.860 -3.540 1.00 0.00 C ATOM 0 H VAL A 94 7.102 3.261 -5.439 1.00 0.00 H new ATOM 0 HA VAL A 94 4.307 3.574 -5.929 1.00 0.00 H new ATOM 0 HB VAL A 94 6.291 4.538 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.412 5.259 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.542 6.233 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.290 4.975 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.949 2.920 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.903 2.584 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.617 2.107 -3.888 1.00 0.00 H new ATOM 1464 N HIS A 95 6.143 6.298 -6.283 1.00 0.00 N ATOM 1465 CA HIS A 95 6.298 7.565 -6.975 1.00 0.00 C ATOM 1466 C HIS A 95 6.041 7.335 -8.472 1.00 0.00 C ATOM 1467 O HIS A 95 5.365 8.123 -9.137 1.00 0.00 O ATOM 1468 CB HIS A 95 7.720 8.118 -6.765 1.00 0.00 C ATOM 1469 CG HIS A 95 7.933 9.562 -7.162 1.00 0.00 C ATOM 1470 ND1 HIS A 95 9.156 10.189 -7.206 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.979 10.501 -7.460 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.947 11.477 -7.524 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.630 11.726 -7.675 1.00 0.00 N ATOM 0 H HIS A 95 6.941 6.083 -5.685 1.00 0.00 H new ATOM 0 HA HIS A 95 5.588 8.291 -6.579 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.979 8.009 -5.712 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.417 7.499 -7.331 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.914 10.328 -7.519 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.728 12.214 -7.643 1.00 0.00 H new ATOM 0 HE2 HIS A 95 7.196 12.621 -7.899 1.00 0.00 H new ATOM 1481 N GLY A 96 6.554 6.209 -8.981 1.00 0.00 N ATOM 1482 CA GLY A 96 6.498 5.749 -10.353 1.00 0.00 C ATOM 1483 C GLY A 96 5.145 5.187 -10.796 1.00 0.00 C ATOM 1484 O GLY A 96 5.039 4.851 -11.977 1.00 0.00 O ATOM 0 H GLY A 96 7.058 5.550 -8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.761 6.579 -11.009 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.257 4.979 -10.493 1.00 0.00 H new ATOM 1488 N CYS A 97 4.129 5.121 -9.931 1.00 0.00 N ATOM 1489 CA CYS A 97 2.741 4.793 -10.260 1.00 0.00 C ATOM 1490 C CYS A 97 1.780 5.908 -9.839 1.00 0.00 C ATOM 1491 O CYS A 97 0.763 6.050 -10.508 1.00 0.00 O ATOM 1492 CB CYS A 97 2.335 3.455 -9.642 1.00 0.00 C ATOM 1493 SG CYS A 97 2.793 1.981 -10.597 1.00 0.00 S ATOM 0 H CYS A 97 4.259 5.304 -8.936 1.00 0.00 H new ATOM 0 HA CYS A 97 2.675 4.701 -11.344 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.786 3.380 -8.653 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.254 3.453 -9.500 1.00 0.00 H new ATOM 1498 N GLU A 98 2.066 6.750 -8.833 1.00 0.00 N ATOM 1499 CA GLU A 98 1.151 7.812 -8.365 1.00 0.00 C ATOM 1500 C GLU A 98 0.641 8.729 -9.496 1.00 0.00 C ATOM 1501 O GLU A 98 -0.417 9.350 -9.377 1.00 0.00 O ATOM 1502 CB GLU A 98 1.821 8.668 -7.266 1.00 0.00 C ATOM 1503 CG GLU A 98 1.631 8.130 -5.827 1.00 0.00 C ATOM 1504 CD GLU A 98 0.864 9.068 -4.870 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.004 10.306 -4.988 1.00 0.00 O ATOM 1506 OE2 GLU A 98 0.141 8.546 -3.985 1.00 0.00 O ATOM 0 H GLU A 98 2.944 6.715 -8.316 1.00 0.00 H new ATOM 0 HA GLU A 98 0.282 7.295 -7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.888 8.736 -7.477 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.421 9.680 -7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.102 7.179 -5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.613 7.926 -5.400 1.00 0.00 H new ATOM 1513 N LYS A 99 1.341 8.799 -10.626 1.00 0.00 N ATOM 1514 CA LYS A 99 0.953 9.605 -11.774 1.00 0.00 C ATOM 1515 C LYS A 99 0.828 8.726 -13.012 1.00 0.00 C ATOM 1516 O LYS A 99 -0.174 8.820 -13.722 1.00 0.00 O ATOM 1517 CB LYS A 99 1.942 10.765 -11.955 1.00 0.00 C ATOM 1518 CG LYS A 99 2.009 11.711 -10.738 1.00 0.00 C ATOM 1519 CD LYS A 99 3.108 11.357 -9.714 1.00 0.00 C ATOM 1520 CE LYS A 99 4.317 12.294 -9.840 1.00 0.00 C ATOM 1521 NZ LYS A 99 4.081 13.601 -9.187 1.00 0.00 N ATOM 0 H LYS A 99 2.211 8.286 -10.769 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.028 10.049 -11.606 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.936 10.359 -12.145 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.659 11.340 -12.837 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.174 12.728 -11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.043 11.703 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.701 11.421 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.428 10.326 -9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.191 11.819 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.544 12.452 -10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.923 14.201 -9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.263 14.067 -9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.890 13.454 -8.175 1.00 0.00 H new ATOM 1535 N SER A 100 1.805 7.851 -13.259 1.00 0.00 N ATOM 1536 CA SER A 100 1.811 6.912 -14.373 1.00 0.00 C ATOM 1537 C SER A 100 0.537 6.075 -14.423 1.00 0.00 C ATOM 1538 O SER A 100 -0.034 5.907 -15.500 1.00 0.00 O ATOM 1539 CB SER A 100 3.016 5.981 -14.246 1.00 0.00 C ATOM 1540 OG SER A 100 4.080 6.381 -15.087 1.00 0.00 O ATOM 0 H SER A 100 2.635 7.777 -12.671 1.00 0.00 H new ATOM 0 HA SER A 100 1.868 7.492 -15.294 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.357 5.967 -13.211 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.717 4.963 -14.497 1.00 0.00 H new ATOM 0 HG SER A 100 4.833 5.764 -14.978 1.00 0.00 H new ATOM 1546 N THR A 101 0.096 5.532 -13.290 1.00 0.00 N ATOM 1547 CA THR A 101 -1.138 4.779 -13.218 1.00 0.00 C ATOM 1548 C THR A 101 -2.300 5.760 -13.433 1.00 0.00 C ATOM 1549 O THR A 101 -2.512 6.669 -12.617 1.00 0.00 O ATOM 1550 CB THR A 101 -1.185 4.051 -11.874 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.222 3.017 -11.822 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.523 3.376 -11.636 1.00 0.00 C ATOM 0 H THR A 101 0.590 5.606 -12.400 1.00 0.00 H new ATOM 0 HA THR A 101 -1.211 4.013 -13.990 1.00 0.00 H new ATOM 0 HB THR A 101 -0.999 4.818 -11.123 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.271 2.568 -10.952 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.509 2.872 -10.670 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.315 4.125 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.707 2.645 -12.424 1.00 0.00 H new ATOM 1560 N PRO A 102 -3.060 5.611 -14.529 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.217 6.441 -14.772 1.00 0.00 C ATOM 1562 C PRO A 102 -5.332 6.019 -13.827 1.00 0.00 C ATOM 1563 O PRO A 102 -5.407 4.872 -13.370 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.575 6.201 -16.235 1.00 0.00 C ATOM 1565 CG PRO A 102 -4.170 4.744 -16.458 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.984 4.549 -15.524 1.00 0.00 C ATOM 0 HA PRO A 102 -4.042 7.502 -14.593 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.638 6.357 -16.420 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.034 6.876 -16.898 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.985 4.061 -16.218 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.896 4.560 -17.497 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.022 3.569 -15.049 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.045 4.600 -16.074 1.00 0.00 H new ATOM 1574 N ALA A 103 -6.224 6.956 -13.555 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.497 6.724 -12.918 1.00 0.00 C ATOM 1576 C ALA A 103 -8.401 7.901 -13.223 1.00 0.00 C ATOM 1577 O ALA A 103 -7.944 8.925 -13.728 1.00 0.00 O ATOM 1578 CB ALA A 103 -7.295 6.619 -11.413 1.00 0.00 C ATOM 0 H ALA A 103 -6.069 7.938 -13.784 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.942 5.800 -13.286 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.255 6.444 -10.928 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.621 5.791 -11.193 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.864 7.547 -11.038 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.672 7.761 -12.867 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.621 8.867 -12.861 1.00 0.00 C ATOM 1586 C ASN A 104 -10.252 9.804 -11.711 1.00 0.00 C ATOM 1587 O ASN A 104 -9.278 9.586 -10.986 1.00 0.00 O ATOM 1588 CB ASN A 104 -12.082 8.396 -12.748 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.257 6.992 -13.271 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.010 6.701 -14.439 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -12.507 6.077 -12.360 1.00 0.00 N ATOM 0 H ASN A 104 -10.076 6.872 -12.573 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.555 9.391 -13.814 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.399 8.438 -11.706 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.728 9.075 -13.305 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -12.500 5.089 -12.614 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -12.708 6.355 -11.400 1.00 0.00 H new ATOM 1598 N ASP A 105 -11.109 10.784 -11.448 1.00 0.00 N ATOM 1599 CA ASP A 105 -11.118 11.556 -10.203 1.00 0.00 C ATOM 1600 C ASP A 105 -11.211 10.673 -8.960 1.00 0.00 C ATOM 1601 O ASP A 105 -11.014 11.153 -7.846 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.352 12.459 -10.204 1.00 0.00 C ATOM 1603 CG ASP A 105 -12.022 13.935 -10.101 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -11.521 14.391 -9.049 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -12.373 14.647 -11.076 1.00 0.00 O ATOM 0 H ASP A 105 -11.833 11.073 -12.105 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.183 12.114 -10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.919 12.285 -11.118 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.997 12.180 -9.371 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.593 9.402 -9.126 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.890 8.528 -8.016 1.00 0.00 C ATOM 1612 C ASP A 106 -10.586 8.110 -7.340 1.00 0.00 C ATOM 1613 O ASP A 106 -9.936 7.154 -7.755 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.686 7.321 -8.517 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.489 6.699 -7.381 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -13.123 6.794 -6.190 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.565 6.139 -7.685 1.00 0.00 O ATOM 0 H ASP A 106 -11.701 8.962 -10.040 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.501 9.045 -7.276 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -13.358 7.629 -9.318 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -12.007 6.580 -8.938 1.00 0.00 H new ATOM 1622 N LYS A 107 -10.150 8.843 -6.323 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.956 8.555 -5.556 1.00 0.00 C ATOM 1624 C LYS A 107 -8.919 7.143 -4.973 1.00 0.00 C ATOM 1625 O LYS A 107 -7.828 6.593 -4.848 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.819 9.646 -4.492 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.783 10.676 -4.931 1.00 0.00 C ATOM 1628 CD LYS A 107 -8.060 11.410 -6.251 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.718 11.827 -6.852 1.00 0.00 C ATOM 1630 NZ LYS A 107 -6.871 12.807 -7.949 1.00 0.00 N ATOM 0 H LYS A 107 -10.637 9.680 -6.003 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.092 8.570 -6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.781 10.132 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.523 9.203 -3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.687 11.421 -4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.819 10.175 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.601 10.762 -6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.687 12.284 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.091 12.256 -6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.201 10.944 -7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.934 13.058 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.447 12.391 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.340 13.662 -7.588 1.00 0.00 H new ATOM 1644 N CYS A 108 -10.069 6.521 -4.694 1.00 0.00 N ATOM 1645 CA CYS A 108 -10.093 5.117 -4.312 1.00 0.00 C ATOM 1646 C CYS A 108 -9.535 4.276 -5.459 1.00 0.00 C ATOM 1647 O CYS A 108 -8.626 3.486 -5.232 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.501 4.626 -3.955 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.449 5.548 -2.716 1.00 0.00 S ATOM 0 H CYS A 108 -10.985 6.968 -4.727 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.478 5.009 -3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -12.088 4.605 -4.873 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.415 3.596 -3.608 1.00 0.00 H new ATOM 1654 N ILE A 109 -10.067 4.460 -6.677 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.667 3.753 -7.895 1.00 0.00 C ATOM 1656 C ILE A 109 -8.171 3.951 -8.121 1.00 0.00 C ATOM 1657 O ILE A 109 -7.441 2.980 -8.307 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.490 4.228 -9.099 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.988 3.958 -8.868 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -10.025 3.662 -10.450 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.493 2.529 -9.007 1.00 0.00 C ATOM 0 H ILE A 109 -10.816 5.132 -6.843 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.864 2.687 -7.778 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.321 5.303 -9.169 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -12.237 4.303 -7.864 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.549 4.579 -9.567 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.662 4.049 -11.245 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.993 3.960 -10.634 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.090 2.574 -10.431 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.566 2.502 -8.815 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.296 2.170 -10.017 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.979 1.890 -8.289 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.736 5.213 -8.110 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.371 5.631 -8.270 1.00 0.00 C ATOM 1675 C TRP A 110 -5.426 4.812 -7.401 1.00 0.00 C ATOM 1676 O TRP A 110 -4.660 4.024 -7.963 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.302 7.141 -8.051 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.928 7.660 -8.083 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -4.067 7.537 -9.108 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -4.228 8.329 -7.008 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.877 8.140 -8.747 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.929 8.666 -7.470 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.580 8.683 -5.695 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -2.029 9.379 -6.668 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.689 9.407 -4.891 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.413 9.750 -5.372 1.00 0.00 C ATOM 0 H TRP A 110 -8.372 6.000 -7.982 1.00 0.00 H new ATOM 0 HA TRP A 110 -6.022 5.435 -9.284 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.892 7.642 -8.818 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.755 7.385 -7.090 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.270 7.051 -10.051 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.057 8.191 -9.352 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.544 8.395 -5.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -1.051 9.640 -7.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.984 9.703 -3.895 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.729 10.299 -4.743 1.00 0.00 H new ATOM 1697 N THR A 111 -5.520 4.946 -6.081 1.00 0.00 N ATOM 1698 CA THR A 111 -4.639 4.280 -5.136 1.00 0.00 C ATOM 1699 C THR A 111 -4.693 2.752 -5.280 1.00 0.00 C ATOM 1700 O THR A 111 -3.659 2.093 -5.173 1.00 0.00 O ATOM 1701 CB THR A 111 -5.010 4.774 -3.732 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.929 6.184 -3.722 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.061 4.211 -2.677 1.00 0.00 C ATOM 0 H THR A 111 -6.225 5.532 -5.633 1.00 0.00 H new ATOM 0 HA THR A 111 -3.598 4.533 -5.338 1.00 0.00 H new ATOM 0 HB THR A 111 -6.019 4.437 -3.494 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.522 6.541 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.351 4.580 -1.693 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.112 3.122 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.042 4.528 -2.898 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.862 2.184 -5.598 1.00 0.00 N ATOM 1712 CA LEU A 112 -6.026 0.767 -5.927 1.00 0.00 C ATOM 1713 C LEU A 112 -5.056 0.362 -7.042 1.00 0.00 C ATOM 1714 O LEU A 112 -4.348 -0.638 -6.908 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.520 0.494 -6.221 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.930 -0.240 -7.499 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -7.480 -1.702 -7.577 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -9.459 -0.187 -7.693 1.00 0.00 C ATOM 0 H LEU A 112 -6.736 2.708 -5.634 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.758 0.127 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.916 -0.075 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.030 1.457 -6.223 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.410 0.293 -8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.817 -2.137 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.392 -1.751 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.910 -2.260 -6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.728 -0.715 -8.608 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.950 -0.660 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.781 0.852 -7.766 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.969 1.142 -8.119 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.044 0.856 -9.203 1.00 0.00 C ATOM 1732 C GLY A 113 -2.588 1.055 -8.785 1.00 0.00 C ATOM 1733 O GLY A 113 -1.743 0.253 -9.184 1.00 0.00 O ATOM 0 H GLY A 113 -5.533 1.980 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.187 -0.171 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.269 1.503 -10.051 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.281 2.097 -8.002 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.918 2.354 -7.523 1.00 0.00 C ATOM 1739 C VAL A 114 -0.446 1.135 -6.714 1.00 0.00 C ATOM 1740 O VAL A 114 0.664 0.653 -6.913 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.850 3.672 -6.713 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.569 3.987 -6.213 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.308 4.888 -7.538 1.00 0.00 C ATOM 0 H VAL A 114 -2.967 2.782 -7.684 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.243 2.491 -8.368 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.519 3.507 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.558 4.921 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.915 3.180 -5.567 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.242 4.084 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.242 5.788 -6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.667 4.996 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.339 4.742 -7.859 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.298 0.572 -5.851 1.00 0.00 N ATOM 1754 CA ALA A 115 -0.976 -0.650 -5.129 1.00 0.00 C ATOM 1755 C ALA A 115 -0.843 -1.853 -6.070 1.00 0.00 C ATOM 1756 O ALA A 115 0.033 -2.685 -5.862 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.045 -0.913 -4.065 1.00 0.00 C ATOM 0 H ALA A 115 -2.221 0.951 -5.639 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.008 -0.514 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.803 -1.828 -3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.077 -0.077 -3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.017 -1.021 -4.545 1.00 0.00 H new ATOM 1763 N THR A 116 -1.698 -1.976 -7.087 1.00 0.00 N ATOM 1764 CA THR A 116 -1.753 -3.151 -7.948 1.00 0.00 C ATOM 1765 C THR A 116 -0.521 -3.269 -8.864 1.00 0.00 C ATOM 1766 O THR A 116 -0.031 -4.390 -9.043 1.00 0.00 O ATOM 1767 CB THR A 116 -3.085 -3.131 -8.718 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.163 -3.155 -7.802 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.272 -4.345 -9.622 1.00 0.00 C ATOM 0 H THR A 116 -2.376 -1.255 -7.335 1.00 0.00 H new ATOM 0 HA THR A 116 -1.719 -4.052 -7.335 1.00 0.00 H new ATOM 0 HB THR A 116 -3.064 -2.226 -9.326 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.263 -2.271 -7.391 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.230 -4.271 -10.137 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.467 -4.379 -10.356 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.253 -5.253 -9.020 1.00 0.00 H new ATOM 1777 N CYS A 117 0.005 -2.165 -9.420 1.00 0.00 N ATOM 1778 CA CYS A 117 1.259 -2.203 -10.183 1.00 0.00 C ATOM 1779 C CYS A 117 2.406 -2.568 -9.235 1.00 0.00 C ATOM 1780 O CYS A 117 3.167 -3.501 -9.491 1.00 0.00 O ATOM 1781 CB CYS A 117 1.542 -0.867 -10.897 1.00 0.00 C ATOM 1782 SG CYS A 117 1.521 0.595 -9.823 1.00 0.00 S ATOM 0 H CYS A 117 -0.419 -1.239 -9.355 1.00 0.00 H new ATOM 0 HA CYS A 117 1.169 -2.959 -10.963 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.517 -0.930 -11.381 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.803 -0.730 -11.686 1.00 0.00 H new ATOM 1787 N PHE A 118 2.483 -1.859 -8.106 1.00 0.00 N ATOM 1788 CA PHE A 118 3.490 -2.016 -7.072 1.00 0.00 C ATOM 1789 C PHE A 118 3.556 -3.460 -6.588 1.00 0.00 C ATOM 1790 O PHE A 118 4.650 -4.014 -6.545 1.00 0.00 O ATOM 1791 CB PHE A 118 3.173 -0.997 -5.975 1.00 0.00 C ATOM 1792 CG PHE A 118 3.921 -1.089 -4.662 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.216 -0.557 -4.541 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.255 -1.561 -3.513 1.00 0.00 C ATOM 1795 CE1 PHE A 118 5.824 -0.458 -3.285 1.00 0.00 C ATOM 1796 CE2 PHE A 118 3.881 -1.496 -2.256 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.163 -0.935 -2.139 1.00 0.00 C ATOM 0 H PHE A 118 1.809 -1.126 -7.884 1.00 0.00 H new ATOM 0 HA PHE A 118 4.493 -1.813 -7.449 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.348 -0.003 -6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.108 -1.068 -5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.744 -0.223 -5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.261 -1.974 -3.599 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.804 -0.014 -3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.376 -1.877 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.640 -0.870 -1.172 1.00 0.00 H new ATOM 1807 N LYS A 119 2.412 -4.102 -6.317 1.00 0.00 N ATOM 1808 CA LYS A 119 2.328 -5.513 -5.942 1.00 0.00 C ATOM 1809 C LYS A 119 3.159 -6.360 -6.898 1.00 0.00 C ATOM 1810 O LYS A 119 3.986 -7.141 -6.442 1.00 0.00 O ATOM 1811 CB LYS A 119 0.866 -5.988 -5.934 1.00 0.00 C ATOM 1812 CG LYS A 119 0.726 -7.422 -5.386 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.552 -8.111 -5.877 1.00 0.00 C ATOM 1814 CE LYS A 119 -0.309 -8.646 -7.297 1.00 0.00 C ATOM 1815 NZ LYS A 119 -1.502 -9.278 -7.892 1.00 0.00 N ATOM 0 H LYS A 119 1.502 -3.642 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 119 2.727 -5.628 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.268 -5.308 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.466 -5.947 -6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.592 -8.010 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 119 0.725 -7.394 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.823 -8.927 -5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.385 -7.408 -5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.017 -7.826 -7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.504 -9.372 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.274 -9.618 -8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.801 -10.080 -7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.273 -8.582 -7.947 1.00 0.00 H new ATOM 1829 N ALA A 120 2.939 -6.234 -8.210 1.00 0.00 N ATOM 1830 CA ALA A 120 3.627 -7.064 -9.189 1.00 0.00 C ATOM 1831 C ALA A 120 5.148 -6.920 -9.044 1.00 0.00 C ATOM 1832 O ALA A 120 5.853 -7.923 -9.076 1.00 0.00 O ATOM 1833 CB ALA A 120 3.136 -6.732 -10.602 1.00 0.00 C ATOM 0 H ALA A 120 2.287 -5.562 -8.614 1.00 0.00 H new ATOM 0 HA ALA A 120 3.391 -8.112 -9.004 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.658 -7.359 -11.325 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.064 -6.917 -10.668 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.337 -5.683 -10.820 1.00 0.00 H new ATOM 1839 N GLU A 121 5.664 -5.711 -8.815 1.00 0.00 N ATOM 1840 CA GLU A 121 7.090 -5.470 -8.578 1.00 0.00 C ATOM 1841 C GLU A 121 7.588 -6.261 -7.365 1.00 0.00 C ATOM 1842 O GLU A 121 8.652 -6.873 -7.430 1.00 0.00 O ATOM 1843 CB GLU A 121 7.371 -3.975 -8.390 1.00 0.00 C ATOM 1844 CG GLU A 121 6.910 -3.116 -9.578 1.00 0.00 C ATOM 1845 CD GLU A 121 7.818 -3.183 -10.812 1.00 0.00 C ATOM 1846 OE1 GLU A 121 9.043 -3.425 -10.685 1.00 0.00 O ATOM 1847 OE2 GLU A 121 7.277 -3.017 -11.934 1.00 0.00 O ATOM 0 H GLU A 121 5.099 -4.863 -8.788 1.00 0.00 H new ATOM 0 HA GLU A 121 7.633 -5.814 -9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.871 -3.629 -7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.441 -3.830 -8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.906 -3.428 -9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.840 -2.078 -9.252 1.00 0.00 H new ATOM 1854 N ILE A 122 6.815 -6.297 -6.276 1.00 0.00 N ATOM 1855 CA ILE A 122 7.161 -7.056 -5.070 1.00 0.00 C ATOM 1856 C ILE A 122 7.314 -8.545 -5.412 1.00 0.00 C ATOM 1857 O ILE A 122 8.244 -9.195 -4.926 1.00 0.00 O ATOM 1858 CB ILE A 122 6.116 -6.846 -3.947 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.654 -5.393 -3.740 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.603 -7.360 -2.592 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.743 -4.308 -3.730 1.00 0.00 C ATOM 0 H ILE A 122 5.928 -5.799 -6.205 1.00 0.00 H new ATOM 0 HA ILE A 122 8.114 -6.684 -4.694 1.00 0.00 H new ATOM 0 HB ILE A 122 5.266 -7.425 -4.309 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.940 -5.149 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.115 -5.341 -2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.833 -7.189 -1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.811 -8.428 -2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.512 -6.831 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.283 -3.332 -3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.448 -4.508 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.271 -4.314 -4.684 1.00 0.00 H new ATOM 1873 N HIS A 123 6.420 -9.087 -6.249 1.00 0.00 N ATOM 1874 CA HIS A 123 6.548 -10.451 -6.763 1.00 0.00 C ATOM 1875 C HIS A 123 7.857 -10.611 -7.546 1.00 0.00 C ATOM 1876 O HIS A 123 8.632 -11.505 -7.206 1.00 0.00 O ATOM 1877 CB HIS A 123 5.341 -10.885 -7.611 1.00 0.00 C ATOM 1878 CG HIS A 123 4.085 -11.172 -6.828 1.00 0.00 C ATOM 1879 ND1 HIS A 123 3.413 -12.373 -6.801 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.393 -10.301 -6.032 1.00 0.00 C ATOM 1881 CE1 HIS A 123 2.336 -12.224 -6.015 1.00 0.00 C ATOM 1882 NE2 HIS A 123 2.260 -10.965 -5.558 1.00 0.00 N ATOM 0 H HIS A 123 5.593 -8.593 -6.586 1.00 0.00 H new ATOM 0 HA HIS A 123 6.571 -11.115 -5.899 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.127 -10.103 -8.339 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.613 -11.778 -8.174 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.673 -9.282 -5.810 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.630 -13.007 -5.783 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.520 -10.570 -4.978 1.00 0.00 H new ATOM 1890 N LYS A 124 8.151 -9.748 -8.536 1.00 0.00 N ATOM 1891 CA LYS A 124 9.412 -9.812 -9.293 1.00 0.00 C ATOM 1892 C LYS A 124 10.632 -9.795 -8.371 1.00 0.00 C ATOM 1893 O LYS A 124 11.604 -10.507 -8.615 1.00 0.00 O ATOM 1894 CB LYS A 124 9.555 -8.649 -10.283 1.00 0.00 C ATOM 1895 CG LYS A 124 8.772 -8.787 -11.594 1.00 0.00 C ATOM 1896 CD LYS A 124 7.388 -8.119 -11.613 1.00 0.00 C ATOM 1897 CE LYS A 124 7.007 -7.526 -12.976 1.00 0.00 C ATOM 1898 NZ LYS A 124 6.424 -8.509 -13.907 1.00 0.00 N ATOM 0 H LYS A 124 7.528 -8.996 -8.830 1.00 0.00 H new ATOM 0 HA LYS A 124 9.372 -10.754 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.236 -7.733 -9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.611 -8.530 -10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 124 9.371 -8.364 -12.401 1.00 0.00 H new ATOM 0 HG3 LYS A 124 8.647 -9.848 -11.812 1.00 0.00 H new ATOM 0 HD2 LYS A 124 6.636 -8.853 -11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.366 -7.328 -10.864 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.294 -6.716 -12.823 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.894 -7.088 -13.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 6.191 -8.040 -14.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 7.110 -9.271 -14.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 5.559 -8.910 -13.491 1.00 0.00 H new ATOM 1912 N LEU A 125 10.620 -8.942 -7.348 1.00 0.00 N ATOM 1913 CA LEU A 125 11.698 -8.813 -6.360 1.00 0.00 C ATOM 1914 C LEU A 125 11.779 -10.019 -5.413 1.00 0.00 C ATOM 1915 O LEU A 125 12.708 -10.096 -4.608 1.00 0.00 O ATOM 1916 CB LEU A 125 11.528 -7.514 -5.543 1.00 0.00 C ATOM 1917 CG LEU A 125 11.765 -6.244 -6.386 1.00 0.00 C ATOM 1918 CD1 LEU A 125 11.085 -5.017 -5.780 1.00 0.00 C ATOM 1919 CD2 LEU A 125 13.261 -5.944 -6.489 1.00 0.00 C ATOM 0 H LEU A 125 9.843 -8.304 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 125 12.633 -8.775 -6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.523 -7.483 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.224 -7.523 -4.704 1.00 0.00 H new ATOM 0 HG LEU A 125 11.339 -6.442 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.279 -4.147 -6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.010 -5.189 -5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.480 -4.839 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.412 -5.045 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.671 -5.789 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.769 -6.784 -6.963 1.00 0.00 H new ATOM 1931 N ASN A 126 10.846 -10.975 -5.498 1.00 0.00 N ATOM 1932 CA ASN A 126 10.623 -12.061 -4.545 1.00 0.00 C ATOM 1933 C ASN A 126 10.643 -11.538 -3.111 1.00 0.00 C ATOM 1934 O ASN A 126 11.360 -12.033 -2.243 1.00 0.00 O ATOM 1935 CB ASN A 126 11.596 -13.218 -4.780 1.00 0.00 C ATOM 1936 CG ASN A 126 11.199 -14.451 -3.981 1.00 0.00 C ATOM 1937 OD1 ASN A 126 10.153 -15.050 -4.224 1.00 0.00 O ATOM 1938 ND2 ASN A 126 12.033 -14.913 -3.075 1.00 0.00 N ATOM 0 H ASN A 126 10.191 -11.010 -6.279 1.00 0.00 H new ATOM 0 HA ASN A 126 9.627 -12.470 -4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.621 -13.464 -5.842 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.603 -12.910 -4.500 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.813 -15.772 -2.570 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.899 -14.413 -2.877 1.00 0.00 H new ATOM 1945 N TRP A 127 9.863 -10.487 -2.880 1.00 0.00 N ATOM 1946 CA TRP A 127 9.646 -9.915 -1.562 1.00 0.00 C ATOM 1947 C TRP A 127 8.374 -10.466 -0.907 1.00 0.00 C ATOM 1948 O TRP A 127 8.055 -10.110 0.231 1.00 0.00 O ATOM 1949 CB TRP A 127 9.729 -8.395 -1.664 1.00 0.00 C ATOM 1950 CG TRP A 127 11.110 -7.827 -1.781 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.275 -8.517 -1.796 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.481 -6.432 -1.956 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.335 -7.649 -1.924 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.896 -6.352 -2.103 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.745 -5.233 -2.045 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.539 -5.140 -2.392 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.386 -4.000 -2.258 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.770 -3.969 -2.486 1.00 0.00 C ATOM 0 H TRP A 127 9.356 -10.002 -3.620 1.00 0.00 H new ATOM 0 HA TRP A 127 10.434 -10.221 -0.874 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.150 -8.075 -2.530 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.252 -7.963 -0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.360 -9.591 -1.719 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.316 -7.927 -1.891 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.670 -5.262 -1.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.608 -5.108 -2.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.817 -3.082 -2.246 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.249 -3.034 -2.737 1.00 0.00 H new ATOM 1969 N ALA A 128 7.678 -11.381 -1.584 1.00 0.00 N ATOM 1970 CA ALA A 128 6.613 -12.209 -1.045 1.00 0.00 C ATOM 1971 C ALA A 128 7.095 -13.655 -0.994 1.00 0.00 C ATOM 1972 O ALA A 128 6.231 -14.550 -0.891 1.00 0.00 O ATOM 1973 CB ALA A 128 5.360 -12.034 -1.911 1.00 0.00 C ATOM 0 H ALA A 128 7.855 -11.569 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 128 6.352 -11.912 -0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.554 -12.652 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.054 -10.988 -1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.580 -12.338 -2.935 1.00 0.00 H new