USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 659 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 132 SER OG : rot -65:sc= 0.17 USER MOD Set 1.2: A 136 GLN :FLIP amide:sc= 1 F(o=-3.9,f=1.2) USER MOD Set 2.1: A 83 GLN :FLIP amide:sc= -0.538 F(o=-21!,f=-10) USER MOD Set 2.2: A 86 ASN :FLIP amide:sc= -9.63! C(o=-16!,f=-10!) USER MOD Set 3.1: A 60 HIS : no HD1:sc= -1.2! C(o=-1.2!,f=-5.1!) USER MOD Set 3.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -171:sc= 2.1 USER MOD Single : A 43 THR OG1 : rot 47:sc= -1.15! USER MOD Single : A 47 CYS SG : rot 180:sc= -0.211 USER MOD Single : A 51 SER OG : rot -44:sc= 0.00419 USER MOD Single : A 68 LYS NZ :NH3+ -121:sc= -0.484 (180deg=-2.75!) USER MOD Single : A 69 ASN : amide:sc= 0.778 K(o=0.78,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -80:sc= 1.2 USER MOD Single : A 76 SER OG : rot -18:sc= 0.297 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0427 USER MOD Single : A 80 SER OG : rot -30:sc= 0.887 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.855 F(o=-6.1!,f=-0.85) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= -1.52 (180deg=-2.75) USER MOD Single : A 95 ASN :FLIP amide:sc= -1.89 F(o=-5.9!,f=-1.9) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.474 X(o=0.47,f=-0.013) USER MOD Single : A 100 ASN : amide:sc= -9.39! C(o=-9.4!,f=-10!) USER MOD Single : A 105 GLN :FLIP amide:sc= -3.78! C(o=-10!,f=-3.8!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 170:sc=-0.00284 (180deg=-0.109) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 74:sc= 0.309 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ILE A 34 5.942 -8.833 1.428 1.00 0.39 N ATOM 30 CA ILE A 34 4.631 -8.286 1.111 1.00 0.25 C ATOM 31 C ILE A 34 3.514 -9.279 1.403 1.00 0.24 C ATOM 32 O ILE A 34 3.224 -10.165 0.600 1.00 0.25 O ATOM 33 CB ILE A 34 4.540 -7.846 -0.363 1.00 0.25 C ATOM 34 CG1 ILE A 34 5.614 -6.803 -0.676 1.00 0.29 C ATOM 35 CG2 ILE A 34 3.156 -7.294 -0.665 1.00 0.32 C ATOM 36 CD1 ILE A 34 5.504 -5.553 0.168 1.00 0.35 C ATOM 0 HA ILE A 34 4.504 -7.414 1.753 1.00 0.25 H new ATOM 0 HB ILE A 34 4.711 -8.716 -0.997 1.00 0.25 H new ATOM 0 HG12 ILE A 34 6.597 -7.249 -0.525 1.00 0.29 H new ATOM 0 HG13 ILE A 34 5.547 -6.528 -1.729 1.00 0.29 H new ATOM 0 HG21 ILE A 34 3.107 -6.987 -1.710 1.00 0.32 H new ATOM 0 HG22 ILE A 34 2.408 -8.064 -0.477 1.00 0.32 H new ATOM 0 HG23 ILE A 34 2.960 -6.434 -0.025 1.00 0.32 H new ATOM 0 HD11 ILE A 34 6.297 -4.857 -0.107 1.00 0.35 H new ATOM 0 HD12 ILE A 34 4.535 -5.084 -0.001 1.00 0.35 H new ATOM 0 HD13 ILE A 34 5.601 -5.816 1.221 1.00 0.35 H new ATOM 48 N THR A 35 2.894 -9.119 2.562 1.00 0.25 N ATOM 49 CA THR A 35 1.792 -9.975 2.967 1.00 0.26 C ATOM 50 C THR A 35 0.603 -9.119 3.376 1.00 0.23 C ATOM 51 O THR A 35 0.652 -7.897 3.251 1.00 0.31 O ATOM 52 CB THR A 35 2.185 -10.893 4.139 1.00 0.33 C ATOM 53 OG1 THR A 35 2.657 -10.109 5.241 1.00 0.36 O ATOM 54 CG2 THR A 35 3.262 -11.879 3.714 1.00 0.35 C ATOM 0 H THR A 35 3.138 -8.399 3.242 1.00 0.25 H new ATOM 0 HA THR A 35 1.529 -10.604 2.116 1.00 0.26 H new ATOM 0 HB THR A 35 1.301 -11.452 4.445 1.00 0.33 H new ATOM 0 HG1 THR A 35 2.903 -10.701 5.982 1.00 0.36 H new ATOM 0 HG21 THR A 35 3.524 -12.517 4.558 1.00 0.35 H new ATOM 0 HG22 THR A 35 2.889 -12.494 2.895 1.00 0.35 H new ATOM 0 HG23 THR A 35 4.146 -11.333 3.384 1.00 0.35 H new ATOM 62 N LYS A 36 -0.466 -9.744 3.854 1.00 0.18 N ATOM 63 CA LYS A 36 -1.633 -8.985 4.281 1.00 0.15 C ATOM 64 C LYS A 36 -1.280 -8.137 5.493 1.00 0.12 C ATOM 65 O LYS A 36 -1.803 -7.041 5.668 1.00 0.14 O ATOM 66 CB LYS A 36 -2.814 -9.909 4.582 1.00 0.20 C ATOM 67 CG LYS A 36 -3.752 -9.390 5.666 1.00 0.27 C ATOM 68 CD LYS A 36 -3.324 -9.849 7.056 1.00 0.61 C ATOM 69 CE LYS A 36 -3.496 -11.350 7.230 1.00 0.57 C ATOM 70 NZ LYS A 36 -3.082 -11.803 8.587 1.00 0.99 N ATOM 0 H LYS A 36 -0.549 -10.756 3.954 1.00 0.18 H new ATOM 0 HA LYS A 36 -1.936 -8.326 3.468 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -3.385 -10.061 3.666 1.00 0.20 H new ATOM 0 HB3 LYS A 36 -2.431 -10.883 4.885 1.00 0.20 H new ATOM 0 HG2 LYS A 36 -3.776 -8.301 5.635 1.00 0.27 H new ATOM 0 HG3 LYS A 36 -4.766 -9.737 5.465 1.00 0.27 H new ATOM 0 HD2 LYS A 36 -2.281 -9.580 7.223 1.00 0.61 H new ATOM 0 HD3 LYS A 36 -3.912 -9.325 7.809 1.00 0.61 H new ATOM 0 HE2 LYS A 36 -4.539 -11.618 7.060 1.00 0.57 H new ATOM 0 HE3 LYS A 36 -2.906 -11.873 6.477 1.00 0.57 H new ATOM 0 HZ1 LYS A 36 -3.215 -12.832 8.665 1.00 0.99 H new ATOM 0 HZ2 LYS A 36 -2.080 -11.570 8.740 1.00 0.99 H new ATOM 0 HZ3 LYS A 36 -3.662 -11.324 9.305 1.00 0.99 H new ATOM 84 N GLY A 37 -0.404 -8.666 6.336 1.00 0.13 N ATOM 85 CA GLY A 37 0.029 -7.932 7.512 1.00 0.14 C ATOM 86 C GLY A 37 0.735 -6.647 7.127 1.00 0.14 C ATOM 87 O GLY A 37 0.500 -5.593 7.715 1.00 0.15 O ATOM 0 H GLY A 37 0.015 -9.590 6.228 1.00 0.13 H new ATOM 0 HA2 GLY A 37 -0.833 -7.703 8.139 1.00 0.14 H new ATOM 0 HA3 GLY A 37 0.699 -8.554 8.106 1.00 0.14 H new ATOM 91 N VAL A 38 1.606 -6.749 6.127 1.00 0.15 N ATOM 92 CA VAL A 38 2.344 -5.600 5.620 1.00 0.16 C ATOM 93 C VAL A 38 1.388 -4.655 4.906 1.00 0.15 C ATOM 94 O VAL A 38 1.480 -3.434 5.025 1.00 0.16 O ATOM 95 CB VAL A 38 3.449 -6.052 4.640 1.00 0.21 C ATOM 96 CG1 VAL A 38 4.078 -4.867 3.920 1.00 1.11 C ATOM 97 CG2 VAL A 38 4.506 -6.859 5.375 1.00 1.28 C ATOM 0 H VAL A 38 1.818 -7.625 5.649 1.00 0.15 H new ATOM 0 HA VAL A 38 2.811 -5.087 6.461 1.00 0.16 H new ATOM 0 HB VAL A 38 2.987 -6.686 3.883 1.00 0.21 H new ATOM 0 HG11 VAL A 38 4.851 -5.223 3.239 1.00 1.11 H new ATOM 0 HG12 VAL A 38 3.312 -4.337 3.354 1.00 1.11 H new ATOM 0 HG13 VAL A 38 4.522 -4.191 4.651 1.00 1.11 H new ATOM 0 HG21 VAL A 38 5.279 -7.171 4.673 1.00 1.28 H new ATOM 0 HG22 VAL A 38 4.953 -6.246 6.157 1.00 1.28 H new ATOM 0 HG23 VAL A 38 4.045 -7.740 5.823 1.00 1.28 H new ATOM 107 N VAL A 39 0.471 -5.255 4.163 1.00 0.14 N ATOM 108 CA VAL A 39 -0.532 -4.515 3.419 1.00 0.15 C ATOM 109 C VAL A 39 -1.414 -3.696 4.362 1.00 0.14 C ATOM 110 O VAL A 39 -1.698 -2.532 4.102 1.00 0.17 O ATOM 111 CB VAL A 39 -1.379 -5.478 2.552 1.00 0.15 C ATOM 112 CG1 VAL A 39 -2.858 -5.123 2.569 1.00 0.15 C ATOM 113 CG2 VAL A 39 -0.853 -5.488 1.125 1.00 0.17 C ATOM 0 H VAL A 39 0.403 -6.267 4.060 1.00 0.14 H new ATOM 0 HA VAL A 39 -0.025 -3.817 2.753 1.00 0.15 H new ATOM 0 HB VAL A 39 -1.286 -6.475 2.983 1.00 0.15 H new ATOM 0 HG11 VAL A 39 -3.409 -5.828 1.946 1.00 0.15 H new ATOM 0 HG12 VAL A 39 -3.232 -5.173 3.591 1.00 0.15 H new ATOM 0 HG13 VAL A 39 -2.994 -4.113 2.182 1.00 0.15 H new ATOM 0 HG21 VAL A 39 -1.454 -6.168 0.521 1.00 0.17 H new ATOM 0 HG22 VAL A 39 -0.913 -4.483 0.708 1.00 0.17 H new ATOM 0 HG23 VAL A 39 0.185 -5.821 1.122 1.00 0.17 H new ATOM 123 N LEU A 40 -1.835 -4.307 5.462 1.00 0.13 N ATOM 124 CA LEU A 40 -2.670 -3.619 6.438 1.00 0.14 C ATOM 125 C LEU A 40 -1.944 -2.406 7.004 1.00 0.14 C ATOM 126 O LEU A 40 -2.511 -1.318 7.090 1.00 0.15 O ATOM 127 CB LEU A 40 -3.071 -4.573 7.558 1.00 0.15 C ATOM 128 CG LEU A 40 -4.186 -5.548 7.189 1.00 0.16 C ATOM 129 CD1 LEU A 40 -4.185 -6.736 8.131 1.00 0.17 C ATOM 130 CD2 LEU A 40 -5.534 -4.845 7.218 1.00 0.21 C ATOM 0 H LEU A 40 -1.613 -5.274 5.700 1.00 0.13 H new ATOM 0 HA LEU A 40 -3.574 -3.273 5.937 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -2.194 -5.143 7.864 1.00 0.15 H new ATOM 0 HB3 LEU A 40 -3.388 -3.987 8.421 1.00 0.15 H new ATOM 0 HG LEU A 40 -4.008 -5.912 6.177 1.00 0.16 H new ATOM 0 HD11 LEU A 40 -4.986 -7.421 7.854 1.00 0.17 H new ATOM 0 HD12 LEU A 40 -3.227 -7.252 8.065 1.00 0.17 H new ATOM 0 HD13 LEU A 40 -4.341 -6.390 9.153 1.00 0.17 H new ATOM 0 HD21 LEU A 40 -6.319 -5.553 6.953 1.00 0.21 H new ATOM 0 HD22 LEU A 40 -5.720 -4.455 8.219 1.00 0.21 H new ATOM 0 HD23 LEU A 40 -5.531 -4.022 6.503 1.00 0.21 H new ATOM 142 N ASP A 41 -0.691 -2.603 7.396 1.00 0.16 N ATOM 143 CA ASP A 41 0.119 -1.516 7.933 1.00 0.18 C ATOM 144 C ASP A 41 0.188 -0.365 6.932 1.00 0.18 C ATOM 145 O ASP A 41 0.289 0.801 7.314 1.00 0.20 O ATOM 146 CB ASP A 41 1.528 -2.012 8.259 1.00 0.18 C ATOM 147 CG ASP A 41 2.398 -0.928 8.862 1.00 0.20 C ATOM 148 OD1 ASP A 41 3.057 -0.199 8.092 1.00 0.21 O ATOM 149 OD2 ASP A 41 2.422 -0.808 10.106 1.00 0.24 O ATOM 0 H ASP A 41 -0.214 -3.504 7.352 1.00 0.16 H new ATOM 0 HA ASP A 41 -0.347 -1.158 8.851 1.00 0.18 H new ATOM 0 HB2 ASP A 41 1.463 -2.850 8.953 1.00 0.18 H new ATOM 0 HB3 ASP A 41 1.998 -2.387 7.350 1.00 0.18 H new ATOM 154 N SER A 42 0.137 -0.711 5.649 1.00 0.17 N ATOM 155 CA SER A 42 0.183 0.278 4.577 1.00 0.19 C ATOM 156 C SER A 42 -1.168 0.969 4.402 1.00 0.24 C ATOM 157 O SER A 42 -1.225 2.165 4.102 1.00 0.34 O ATOM 158 CB SER A 42 0.662 -0.380 3.286 1.00 0.21 C ATOM 159 OG SER A 42 2.040 -0.697 3.365 1.00 0.30 O ATOM 0 H SER A 42 0.063 -1.675 5.325 1.00 0.17 H new ATOM 0 HA SER A 42 0.897 1.057 4.845 1.00 0.19 H new ATOM 0 HB2 SER A 42 0.086 -1.286 3.099 1.00 0.21 H new ATOM 0 HB3 SER A 42 0.486 0.289 2.444 1.00 0.21 H new ATOM 0 HG SER A 42 2.362 -0.978 2.483 1.00 0.30 H new ATOM 165 N THR A 43 -2.253 0.228 4.611 1.00 0.20 N ATOM 166 CA THR A 43 -3.592 0.798 4.501 1.00 0.25 C ATOM 167 C THR A 43 -3.872 1.693 5.701 1.00 0.26 C ATOM 168 O THR A 43 -4.632 2.659 5.612 1.00 0.28 O ATOM 169 CB THR A 43 -4.677 -0.290 4.430 1.00 0.33 C ATOM 170 OG1 THR A 43 -4.176 -1.520 4.959 1.00 0.42 O ATOM 171 CG2 THR A 43 -5.153 -0.503 3.002 1.00 0.38 C ATOM 0 H THR A 43 -2.232 -0.762 4.856 1.00 0.20 H new ATOM 0 HA THR A 43 -3.624 1.375 3.577 1.00 0.25 H new ATOM 0 HB THR A 43 -5.525 0.045 5.027 1.00 0.33 H new ATOM 0 HG1 THR A 43 -3.720 -1.349 5.809 1.00 0.42 H new ATOM 0 HG21 THR A 43 -5.919 -1.278 2.986 1.00 0.38 H new ATOM 0 HG22 THR A 43 -5.569 0.427 2.615 1.00 0.38 H new ATOM 0 HG23 THR A 43 -4.312 -0.811 2.380 1.00 0.38 H new ATOM 179 N GLU A 44 -3.245 1.362 6.826 1.00 0.25 N ATOM 180 CA GLU A 44 -3.406 2.123 8.048 1.00 0.27 C ATOM 181 C GLU A 44 -2.548 3.380 8.002 1.00 0.23 C ATOM 182 O GLU A 44 -3.005 4.465 8.352 1.00 0.21 O ATOM 183 CB GLU A 44 -3.029 1.265 9.253 1.00 0.31 C ATOM 184 CG GLU A 44 -2.800 2.057 10.518 1.00 0.65 C ATOM 185 CD GLU A 44 -2.526 1.179 11.723 1.00 0.79 C ATOM 186 OE1 GLU A 44 -1.350 0.818 11.941 1.00 1.06 O ATOM 187 OE2 GLU A 44 -3.487 0.851 12.450 1.00 1.52 O ATOM 0 H GLU A 44 -2.616 0.563 6.910 1.00 0.25 H new ATOM 0 HA GLU A 44 -4.450 2.420 8.144 1.00 0.27 H new ATOM 0 HB2 GLU A 44 -3.820 0.536 9.430 1.00 0.31 H new ATOM 0 HB3 GLU A 44 -2.125 0.703 9.019 1.00 0.31 H new ATOM 0 HG2 GLU A 44 -1.959 2.734 10.369 1.00 0.65 H new ATOM 0 HG3 GLU A 44 -3.675 2.675 10.717 1.00 0.65 H new ATOM 194 N ALA A 45 -1.296 3.218 7.579 1.00 0.26 N ATOM 195 CA ALA A 45 -0.375 4.342 7.473 1.00 0.26 C ATOM 196 C ALA A 45 -0.999 5.479 6.672 1.00 0.23 C ATOM 197 O ALA A 45 -0.950 6.638 7.084 1.00 0.23 O ATOM 198 CB ALA A 45 0.933 3.895 6.836 1.00 0.28 C ATOM 0 H ALA A 45 -0.899 2.319 7.305 1.00 0.26 H new ATOM 0 HA ALA A 45 -0.165 4.710 8.477 1.00 0.26 H new ATOM 0 HB1 ALA A 45 1.611 4.745 6.763 1.00 0.28 H new ATOM 0 HB2 ALA A 45 1.389 3.118 7.449 1.00 0.28 H new ATOM 0 HB3 ALA A 45 0.736 3.501 5.839 1.00 0.28 H new ATOM 204 N LEU A 46 -1.587 5.143 5.525 1.00 0.22 N ATOM 205 CA LEU A 46 -2.234 6.156 4.700 1.00 0.21 C ATOM 206 C LEU A 46 -3.475 6.687 5.403 1.00 0.18 C ATOM 207 O LEU A 46 -3.741 7.885 5.376 1.00 0.16 O ATOM 208 CB LEU A 46 -2.584 5.616 3.305 1.00 0.23 C ATOM 209 CG LEU A 46 -3.618 4.491 3.259 1.00 0.23 C ATOM 210 CD1 LEU A 46 -5.034 5.042 3.257 1.00 0.21 C ATOM 211 CD2 LEU A 46 -3.393 3.629 2.040 1.00 0.30 C ATOM 0 H LEU A 46 -1.628 4.194 5.153 1.00 0.22 H new ATOM 0 HA LEU A 46 -1.529 6.976 4.559 1.00 0.21 H new ATOM 0 HB2 LEU A 46 -2.951 6.444 2.699 1.00 0.23 H new ATOM 0 HB3 LEU A 46 -1.667 5.259 2.835 1.00 0.23 H new ATOM 0 HG LEU A 46 -3.495 3.883 4.156 1.00 0.23 H new ATOM 0 HD11 LEU A 46 -5.745 4.217 3.224 1.00 0.21 H new ATOM 0 HD12 LEU A 46 -5.198 5.627 4.162 1.00 0.21 H new ATOM 0 HD13 LEU A 46 -5.176 5.678 2.383 1.00 0.21 H new ATOM 0 HD21 LEU A 46 -4.135 2.831 2.017 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -3.487 4.238 1.141 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -2.394 3.195 2.081 1.00 0.30 H new ATOM 223 N CYS A 47 -4.219 5.786 6.045 1.00 0.17 N ATOM 224 CA CYS A 47 -5.433 6.163 6.763 1.00 0.16 C ATOM 225 C CYS A 47 -5.131 7.223 7.815 1.00 0.16 C ATOM 226 O CYS A 47 -5.893 8.175 7.989 1.00 0.20 O ATOM 227 CB CYS A 47 -6.066 4.937 7.426 1.00 0.19 C ATOM 228 SG CYS A 47 -7.514 5.313 8.441 1.00 0.23 S ATOM 0 H CYS A 47 -4.001 4.790 6.082 1.00 0.17 H new ATOM 0 HA CYS A 47 -6.137 6.578 6.042 1.00 0.16 H new ATOM 0 HB2 CYS A 47 -6.353 4.226 6.651 1.00 0.19 H new ATOM 0 HB3 CYS A 47 -5.317 4.446 8.048 1.00 0.19 H new ATOM 0 HG CYS A 47 -7.979 4.214 8.957 1.00 0.23 H new ATOM 234 N LEU A 48 -4.014 7.052 8.515 1.00 0.17 N ATOM 235 CA LEU A 48 -3.606 7.996 9.543 1.00 0.18 C ATOM 236 C LEU A 48 -3.276 9.340 8.919 1.00 0.18 C ATOM 237 O LEU A 48 -3.590 10.388 9.481 1.00 0.23 O ATOM 238 CB LEU A 48 -2.407 7.453 10.323 1.00 0.21 C ATOM 239 CG LEU A 48 -2.759 6.677 11.598 1.00 0.23 C ATOM 240 CD1 LEU A 48 -3.918 5.721 11.348 1.00 1.20 C ATOM 241 CD2 LEU A 48 -1.544 5.921 12.113 1.00 1.14 C ATOM 0 H LEU A 48 -3.376 6.266 8.387 1.00 0.17 H new ATOM 0 HA LEU A 48 -4.432 8.132 10.241 1.00 0.18 H new ATOM 0 HB2 LEU A 48 -1.831 6.801 9.666 1.00 0.21 H new ATOM 0 HB3 LEU A 48 -1.759 8.288 10.591 1.00 0.21 H new ATOM 0 HG LEU A 48 -3.069 7.394 12.359 1.00 0.23 H new ATOM 0 HD11 LEU A 48 -4.150 5.182 12.267 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -4.793 6.286 11.029 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -3.642 5.010 10.570 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -1.811 5.376 13.018 1.00 1.14 H new ATOM 0 HD22 LEU A 48 -1.204 5.218 11.353 1.00 1.14 H new ATOM 0 HD23 LEU A 48 -0.744 6.627 12.338 1.00 1.14 H new ATOM 253 N ALA A 49 -2.634 9.304 7.754 1.00 0.16 N ATOM 254 CA ALA A 49 -2.300 10.530 7.048 1.00 0.18 C ATOM 255 C ALA A 49 -3.569 11.319 6.779 1.00 0.18 C ATOM 256 O ALA A 49 -3.565 12.550 6.789 1.00 0.28 O ATOM 257 CB ALA A 49 -1.575 10.229 5.749 1.00 0.19 C ATOM 0 H ALA A 49 -2.339 8.447 7.286 1.00 0.16 H new ATOM 0 HA ALA A 49 -1.631 11.124 7.671 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -1.337 11.163 5.240 1.00 0.19 H new ATOM 0 HB2 ALA A 49 -0.654 9.687 5.964 1.00 0.19 H new ATOM 0 HB3 ALA A 49 -2.213 9.620 5.109 1.00 0.19 H new ATOM 263 N ILE A 50 -4.660 10.593 6.538 1.00 0.12 N ATOM 264 CA ILE A 50 -5.947 11.222 6.298 1.00 0.14 C ATOM 265 C ILE A 50 -6.471 11.793 7.605 1.00 0.18 C ATOM 266 O ILE A 50 -7.189 12.793 7.625 1.00 0.21 O ATOM 267 CB ILE A 50 -6.995 10.238 5.731 1.00 0.14 C ATOM 268 CG1 ILE A 50 -6.336 9.131 4.903 1.00 0.15 C ATOM 269 CG2 ILE A 50 -7.989 10.999 4.876 1.00 0.17 C ATOM 270 CD1 ILE A 50 -7.319 8.131 4.330 1.00 0.18 C ATOM 0 H ILE A 50 -4.673 9.574 6.505 1.00 0.12 H new ATOM 0 HA ILE A 50 -5.793 12.005 5.555 1.00 0.14 H new ATOM 0 HB ILE A 50 -7.509 9.766 6.568 1.00 0.14 H new ATOM 0 HG12 ILE A 50 -5.776 9.585 4.086 1.00 0.15 H new ATOM 0 HG13 ILE A 50 -5.616 8.602 5.528 1.00 0.15 H new ATOM 0 HG21 ILE A 50 -8.729 10.307 4.475 1.00 0.17 H new ATOM 0 HG22 ILE A 50 -8.489 11.753 5.484 1.00 0.17 H new ATOM 0 HG23 ILE A 50 -7.464 11.485 4.054 1.00 0.17 H new ATOM 0 HD11 ILE A 50 -6.779 7.378 3.756 1.00 0.18 H new ATOM 0 HD12 ILE A 50 -7.862 7.648 5.142 1.00 0.18 H new ATOM 0 HD13 ILE A 50 -8.024 8.647 3.678 1.00 0.18 H new ATOM 282 N SER A 51 -6.095 11.137 8.700 1.00 0.25 N ATOM 283 CA SER A 51 -6.494 11.562 10.033 1.00 0.31 C ATOM 284 C SER A 51 -5.580 12.685 10.509 1.00 0.35 C ATOM 285 O SER A 51 -5.867 13.363 11.496 1.00 0.40 O ATOM 286 CB SER A 51 -6.422 10.384 11.010 1.00 0.35 C ATOM 287 OG SER A 51 -7.190 10.638 12.173 1.00 0.45 O ATOM 0 H SER A 51 -5.509 10.302 8.686 1.00 0.25 H new ATOM 0 HA SER A 51 -7.522 11.924 9.995 1.00 0.31 H new ATOM 0 HB2 SER A 51 -6.785 9.480 10.521 1.00 0.35 H new ATOM 0 HB3 SER A 51 -5.384 10.202 11.289 1.00 0.35 H new ATOM 0 HG SER A 51 -7.028 11.555 12.478 1.00 0.45 H new ATOM 293 N ARG A 52 -4.474 12.870 9.791 1.00 0.33 N ATOM 294 CA ARG A 52 -3.501 13.901 10.125 1.00 0.40 C ATOM 295 C ARG A 52 -3.734 15.167 9.304 1.00 0.41 C ATOM 296 O ARG A 52 -3.240 16.240 9.647 1.00 0.85 O ATOM 297 CB ARG A 52 -2.078 13.384 9.906 1.00 0.46 C ATOM 298 CG ARG A 52 -1.623 12.385 10.959 1.00 1.01 C ATOM 299 CD ARG A 52 -0.184 11.953 10.731 1.00 1.09 C ATOM 300 NE ARG A 52 0.308 11.098 11.809 1.00 1.61 N ATOM 301 CZ ARG A 52 1.549 10.625 11.868 1.00 1.97 C ATOM 302 NH1 ARG A 52 2.421 10.916 10.911 1.00 1.88 N ATOM 303 NH2 ARG A 52 1.920 9.860 12.886 1.00 2.91 N ATOM 0 H ARG A 52 -4.231 12.315 8.971 1.00 0.33 H new ATOM 0 HA ARG A 52 -3.628 14.152 11.178 1.00 0.40 H new ATOM 0 HB2 ARG A 52 -2.018 12.916 8.923 1.00 0.46 H new ATOM 0 HB3 ARG A 52 -1.390 14.230 9.899 1.00 0.46 H new ATOM 0 HG2 ARG A 52 -1.718 12.830 11.949 1.00 1.01 H new ATOM 0 HG3 ARG A 52 -2.274 11.511 10.938 1.00 1.01 H new ATOM 0 HD2 ARG A 52 -0.111 11.419 9.783 1.00 1.09 H new ATOM 0 HD3 ARG A 52 0.451 12.835 10.650 1.00 1.09 H new ATOM 0 HE ARG A 52 -0.337 10.850 12.559 1.00 1.61 H new ATOM 0 HH11 ARG A 52 2.140 11.504 10.127 1.00 1.88 H new ATOM 0 HH12 ARG A 52 3.372 10.551 10.960 1.00 1.88 H new ATOM 0 HH21 ARG A 52 1.253 9.634 13.624 1.00 2.91 H new ATOM 0 HH22 ARG A 52 2.872 9.497 12.931 1.00 2.91 H new ATOM 412 N HIS A 60 -3.102 15.901 1.313 1.00 0.54 N ATOM 413 CA HIS A 60 -3.719 14.793 0.598 1.00 0.41 C ATOM 414 C HIS A 60 -2.646 13.961 -0.096 1.00 0.37 C ATOM 415 O HIS A 60 -2.826 12.768 -0.328 1.00 0.60 O ATOM 416 CB HIS A 60 -4.733 15.314 -0.429 1.00 0.56 C ATOM 417 CG HIS A 60 -4.149 15.556 -1.787 1.00 0.48 C ATOM 418 ND1 HIS A 60 -3.664 16.786 -2.154 1.00 1.10 N ATOM 419 CD2 HIS A 60 -3.983 14.690 -2.816 1.00 0.48 C ATOM 420 CE1 HIS A 60 -3.213 16.641 -3.388 1.00 1.30 C ATOM 421 NE2 HIS A 60 -3.383 15.386 -3.828 1.00 0.80 N ATOM 0 HA HIS A 60 -4.247 14.165 1.315 1.00 0.41 H new ATOM 0 HB2 HIS A 60 -5.548 14.596 -0.517 1.00 0.56 H new ATOM 0 HB3 HIS A 60 -5.166 16.244 -0.059 1.00 0.56 H new ATOM 0 HD2 HIS A 60 -4.270 13.649 -2.833 1.00 0.48 H new ATOM 0 HE1 HIS A 60 -2.764 17.433 -3.969 1.00 1.30 H new ATOM 0 HE2 HIS A 60 -3.116 15.021 -4.742 1.00 0.80 H new ATOM 429 N SER A 61 -1.534 14.611 -0.434 1.00 0.33 N ATOM 430 CA SER A 61 -0.424 13.938 -1.098 1.00 0.40 C ATOM 431 C SER A 61 0.189 12.889 -0.180 1.00 0.29 C ATOM 432 O SER A 61 1.017 12.084 -0.604 1.00 0.28 O ATOM 433 CB SER A 61 0.641 14.954 -1.518 1.00 0.58 C ATOM 434 OG SER A 61 0.111 15.902 -2.428 1.00 1.58 O ATOM 0 H SER A 61 -1.380 15.604 -0.258 1.00 0.33 H new ATOM 0 HA SER A 61 -0.807 13.442 -1.989 1.00 0.40 H new ATOM 0 HB2 SER A 61 1.026 15.467 -0.637 1.00 0.58 H new ATOM 0 HB3 SER A 61 1.482 14.435 -1.978 1.00 0.58 H new ATOM 0 HG SER A 61 0.811 16.541 -2.679 1.00 1.58 H new ATOM 440 N ALA A 62 -0.222 12.911 1.082 1.00 0.26 N ATOM 441 CA ALA A 62 0.269 11.961 2.070 1.00 0.24 C ATOM 442 C ALA A 62 -0.500 10.649 1.966 1.00 0.19 C ATOM 443 O ALA A 62 0.089 9.572 1.872 1.00 0.21 O ATOM 444 CB ALA A 62 0.146 12.555 3.465 1.00 0.33 C ATOM 0 H ALA A 62 -0.899 13.582 1.446 1.00 0.26 H new ATOM 0 HA ALA A 62 1.321 11.753 1.876 1.00 0.24 H new ATOM 0 HB1 ALA A 62 0.515 11.839 4.199 1.00 0.33 H new ATOM 0 HB2 ALA A 62 0.734 13.471 3.524 1.00 0.33 H new ATOM 0 HB3 ALA A 62 -0.900 12.782 3.673 1.00 0.33 H new ATOM 450 N VAL A 63 -1.825 10.757 1.987 1.00 0.18 N ATOM 451 CA VAL A 63 -2.699 9.594 1.870 1.00 0.16 C ATOM 452 C VAL A 63 -2.664 9.067 0.442 1.00 0.15 C ATOM 453 O VAL A 63 -2.753 7.862 0.202 1.00 0.18 O ATOM 454 CB VAL A 63 -4.156 9.940 2.264 1.00 0.17 C ATOM 455 CG1 VAL A 63 -4.523 11.342 1.804 1.00 0.21 C ATOM 456 CG2 VAL A 63 -5.138 8.925 1.694 1.00 0.19 C ATOM 0 H VAL A 63 -2.320 11.644 2.085 1.00 0.18 H new ATOM 0 HA VAL A 63 -2.336 8.828 2.555 1.00 0.16 H new ATOM 0 HB VAL A 63 -4.220 9.902 3.351 1.00 0.17 H new ATOM 0 HG11 VAL A 63 -5.551 11.562 2.092 1.00 0.21 H new ATOM 0 HG12 VAL A 63 -3.853 12.065 2.270 1.00 0.21 H new ATOM 0 HG13 VAL A 63 -4.429 11.406 0.720 1.00 0.21 H new ATOM 0 HG21 VAL A 63 -6.152 9.195 1.988 1.00 0.19 H new ATOM 0 HG22 VAL A 63 -5.065 8.919 0.606 1.00 0.19 H new ATOM 0 HG23 VAL A 63 -4.901 7.933 2.079 1.00 0.19 H new ATOM 466 N LEU A 64 -2.528 9.991 -0.497 1.00 0.16 N ATOM 467 CA LEU A 64 -2.462 9.657 -1.914 1.00 0.18 C ATOM 468 C LEU A 64 -1.204 8.841 -2.209 1.00 0.20 C ATOM 469 O LEU A 64 -1.274 7.760 -2.794 1.00 0.24 O ATOM 470 CB LEU A 64 -2.475 10.947 -2.752 1.00 0.17 C ATOM 471 CG LEU A 64 -2.849 10.794 -4.233 1.00 0.17 C ATOM 472 CD1 LEU A 64 -1.670 10.286 -5.045 1.00 0.23 C ATOM 473 CD2 LEU A 64 -4.048 9.872 -4.401 1.00 0.24 C ATOM 0 H LEU A 64 -2.460 10.990 -0.301 1.00 0.16 H new ATOM 0 HA LEU A 64 -3.331 9.054 -2.179 1.00 0.18 H new ATOM 0 HB2 LEU A 64 -3.175 11.646 -2.293 1.00 0.17 H new ATOM 0 HB3 LEU A 64 -1.486 11.402 -2.694 1.00 0.17 H new ATOM 0 HG LEU A 64 -3.121 11.781 -4.608 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -1.964 10.187 -6.090 1.00 0.23 H new ATOM 0 HD12 LEU A 64 -0.843 10.991 -4.966 1.00 0.23 H new ATOM 0 HD13 LEU A 64 -1.357 9.315 -4.663 1.00 0.23 H new ATOM 0 HD21 LEU A 64 -4.292 9.781 -5.460 1.00 0.24 H new ATOM 0 HD22 LEU A 64 -3.809 8.888 -3.998 1.00 0.24 H new ATOM 0 HD23 LEU A 64 -4.903 10.286 -3.866 1.00 0.24 H new ATOM 485 N GLU A 65 -0.058 9.374 -1.799 1.00 0.19 N ATOM 486 CA GLU A 65 1.229 8.710 -2.007 1.00 0.22 C ATOM 487 C GLU A 65 1.303 7.380 -1.257 1.00 0.20 C ATOM 488 O GLU A 65 1.740 6.369 -1.808 1.00 0.21 O ATOM 489 CB GLU A 65 2.367 9.627 -1.554 1.00 0.23 C ATOM 490 CG GLU A 65 3.746 8.994 -1.670 1.00 0.32 C ATOM 491 CD GLU A 65 4.851 9.919 -1.201 1.00 1.32 C ATOM 492 OE1 GLU A 65 5.319 10.745 -2.013 1.00 1.65 O ATOM 493 OE2 GLU A 65 5.251 9.817 -0.022 1.00 2.32 O ATOM 0 H GLU A 65 0.008 10.270 -1.317 1.00 0.19 H new ATOM 0 HA GLU A 65 1.329 8.500 -3.072 1.00 0.22 H new ATOM 0 HB2 GLU A 65 2.345 10.540 -2.149 1.00 0.23 H new ATOM 0 HB3 GLU A 65 2.197 9.918 -0.517 1.00 0.23 H new ATOM 0 HG2 GLU A 65 3.771 8.076 -1.083 1.00 0.32 H new ATOM 0 HG3 GLU A 65 3.927 8.714 -2.708 1.00 0.32 H new ATOM 500 N ALA A 66 0.871 7.389 0.000 1.00 0.18 N ATOM 501 CA ALA A 66 0.902 6.186 0.829 1.00 0.16 C ATOM 502 C ALA A 66 -0.049 5.125 0.298 1.00 0.22 C ATOM 503 O ALA A 66 0.217 3.929 0.413 1.00 0.29 O ATOM 504 CB ALA A 66 0.557 6.520 2.270 1.00 0.16 C ATOM 0 H ALA A 66 0.496 8.214 0.468 1.00 0.18 H new ATOM 0 HA ALA A 66 1.915 5.786 0.792 1.00 0.16 H new ATOM 0 HB1 ALA A 66 0.585 5.611 2.871 1.00 0.16 H new ATOM 0 HB2 ALA A 66 1.280 7.236 2.661 1.00 0.16 H new ATOM 0 HB3 ALA A 66 -0.442 6.953 2.314 1.00 0.16 H new ATOM 510 N GLY A 67 -1.159 5.566 -0.283 1.00 0.29 N ATOM 511 CA GLY A 67 -2.122 4.626 -0.816 1.00 0.40 C ATOM 512 C GLY A 67 -1.666 4.021 -2.126 1.00 0.26 C ATOM 513 O GLY A 67 -2.019 2.886 -2.438 1.00 0.25 O ATOM 0 H GLY A 67 -1.406 6.549 -0.393 1.00 0.29 H new ATOM 0 HA2 GLY A 67 -2.291 3.831 -0.090 1.00 0.40 H new ATOM 0 HA3 GLY A 67 -3.077 5.131 -0.964 1.00 0.40 H new ATOM 517 N LYS A 68 -0.892 4.775 -2.903 1.00 0.21 N ATOM 518 CA LYS A 68 -0.354 4.256 -4.151 1.00 0.15 C ATOM 519 C LYS A 68 0.587 3.109 -3.826 1.00 0.16 C ATOM 520 O LYS A 68 0.614 2.084 -4.508 1.00 0.21 O ATOM 521 CB LYS A 68 0.402 5.344 -4.913 1.00 0.18 C ATOM 522 CG LYS A 68 0.109 5.344 -6.400 1.00 0.66 C ATOM 523 CD LYS A 68 -1.320 5.772 -6.668 1.00 0.65 C ATOM 524 CE LYS A 68 -1.448 7.282 -6.651 1.00 0.73 C ATOM 525 NZ LYS A 68 -2.827 7.732 -6.984 1.00 0.83 N ATOM 0 H LYS A 68 -0.627 5.737 -2.691 1.00 0.21 H new ATOM 0 HA LYS A 68 -1.173 3.911 -4.782 1.00 0.15 H new ATOM 0 HB2 LYS A 68 0.141 6.317 -4.498 1.00 0.18 H new ATOM 0 HB3 LYS A 68 1.473 5.209 -4.760 1.00 0.18 H new ATOM 0 HG2 LYS A 68 0.797 6.018 -6.911 1.00 0.66 H new ATOM 0 HG3 LYS A 68 0.277 4.347 -6.808 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -1.643 5.387 -7.635 1.00 0.65 H new ATOM 0 HD3 LYS A 68 -1.980 5.339 -5.916 1.00 0.65 H new ATOM 0 HE2 LYS A 68 -1.173 7.657 -5.665 1.00 0.73 H new ATOM 0 HE3 LYS A 68 -0.745 7.713 -7.364 1.00 0.73 H new ATOM 0 HZ1 LYS A 68 -2.799 8.344 -7.824 1.00 0.83 H new ATOM 0 HZ2 LYS A 68 -3.425 6.904 -7.179 1.00 0.83 H new ATOM 0 HZ3 LYS A 68 -3.222 8.263 -6.182 1.00 0.83 H new ATOM 539 N ASN A 69 1.357 3.309 -2.761 1.00 0.16 N ATOM 540 CA ASN A 69 2.298 2.312 -2.279 1.00 0.19 C ATOM 541 C ASN A 69 1.544 1.083 -1.783 1.00 0.20 C ATOM 542 O ASN A 69 1.963 -0.051 -1.999 1.00 0.23 O ATOM 543 CB ASN A 69 3.143 2.902 -1.147 1.00 0.21 C ATOM 544 CG ASN A 69 4.383 3.613 -1.653 1.00 0.25 C ATOM 545 OD1 ASN A 69 5.432 2.997 -1.843 1.00 0.53 O ATOM 546 ND2 ASN A 69 4.270 4.918 -1.867 1.00 0.30 N ATOM 0 H ASN A 69 1.344 4.167 -2.210 1.00 0.16 H new ATOM 0 HA ASN A 69 2.956 2.016 -3.096 1.00 0.19 H new ATOM 0 HB2 ASN A 69 2.536 3.602 -0.573 1.00 0.21 H new ATOM 0 HB3 ASN A 69 3.439 2.104 -0.466 1.00 0.21 H new ATOM 0 HD21 ASN A 69 5.072 5.451 -2.202 1.00 0.30 H new ATOM 0 HD22 ASN A 69 3.381 5.388 -1.696 1.00 0.30 H new ATOM 553 N LEU A 70 0.420 1.335 -1.121 1.00 0.20 N ATOM 554 CA LEU A 70 -0.423 0.274 -0.580 1.00 0.21 C ATOM 555 C LEU A 70 -1.025 -0.563 -1.700 1.00 0.19 C ATOM 556 O LEU A 70 -0.957 -1.791 -1.670 1.00 0.21 O ATOM 557 CB LEU A 70 -1.538 0.907 0.245 1.00 0.24 C ATOM 558 CG LEU A 70 -2.544 -0.042 0.919 1.00 0.28 C ATOM 559 CD1 LEU A 70 -3.461 -0.675 -0.089 1.00 1.00 C ATOM 560 CD2 LEU A 70 -1.852 -1.129 1.706 1.00 1.41 C ATOM 0 H LEU A 70 0.068 2.276 -0.945 1.00 0.20 H new ATOM 0 HA LEU A 70 0.184 -0.381 0.045 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -1.078 1.517 1.022 1.00 0.24 H new ATOM 0 HB3 LEU A 70 -2.095 1.583 -0.403 1.00 0.24 H new ATOM 0 HG LEU A 70 -3.130 0.570 1.605 1.00 0.28 H new ATOM 0 HD11 LEU A 70 -4.159 -1.339 0.421 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -4.017 0.102 -0.613 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -2.873 -1.248 -0.806 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -2.598 -1.777 2.166 1.00 1.41 H new ATOM 0 HD22 LEU A 70 -1.223 -1.717 1.038 1.00 1.41 H new ATOM 0 HD23 LEU A 70 -1.235 -0.679 2.483 1.00 1.41 H new ATOM 572 N TYR A 71 -1.620 0.109 -2.686 1.00 0.15 N ATOM 573 CA TYR A 71 -2.224 -0.589 -3.811 1.00 0.14 C ATOM 574 C TYR A 71 -1.164 -1.459 -4.455 1.00 0.14 C ATOM 575 O TYR A 71 -1.449 -2.536 -4.977 1.00 0.16 O ATOM 576 CB TYR A 71 -2.806 0.400 -4.837 1.00 0.14 C ATOM 577 CG TYR A 71 -2.974 -0.193 -6.221 1.00 0.13 C ATOM 578 CD1 TYR A 71 -1.928 -0.179 -7.139 1.00 0.71 C ATOM 579 CD2 TYR A 71 -4.175 -0.775 -6.605 1.00 0.75 C ATOM 580 CE1 TYR A 71 -2.075 -0.730 -8.398 1.00 0.72 C ATOM 581 CE2 TYR A 71 -4.330 -1.326 -7.864 1.00 0.75 C ATOM 582 CZ TYR A 71 -3.278 -1.302 -8.755 1.00 0.16 C ATOM 583 OH TYR A 71 -3.429 -1.850 -10.008 1.00 0.19 O ATOM 0 H TYR A 71 -1.694 1.126 -2.725 1.00 0.15 H new ATOM 0 HA TYR A 71 -3.050 -1.204 -3.454 1.00 0.14 H new ATOM 0 HB2 TYR A 71 -3.774 0.752 -4.481 1.00 0.14 H new ATOM 0 HB3 TYR A 71 -2.154 1.271 -4.900 1.00 0.14 H new ATOM 0 HD1 TYR A 71 -0.985 0.270 -6.863 1.00 0.71 H new ATOM 0 HD2 TYR A 71 -5.001 -0.798 -5.910 1.00 0.75 H new ATOM 0 HE1 TYR A 71 -1.253 -0.713 -9.098 1.00 0.72 H new ATOM 0 HE2 TYR A 71 -5.271 -1.773 -8.148 1.00 0.75 H new ATOM 0 HH TYR A 71 -4.335 -2.212 -10.100 1.00 0.19 H new ATOM 593 N SER A 72 0.068 -0.970 -4.406 1.00 0.14 N ATOM 594 CA SER A 72 1.194 -1.684 -4.965 1.00 0.17 C ATOM 595 C SER A 72 1.437 -2.985 -4.211 1.00 0.13 C ATOM 596 O SER A 72 1.559 -4.041 -4.831 1.00 0.32 O ATOM 597 CB SER A 72 2.453 -0.815 -4.935 1.00 0.29 C ATOM 598 OG SER A 72 3.547 -1.481 -5.541 1.00 1.13 O ATOM 0 H SER A 72 0.308 -0.075 -3.980 1.00 0.14 H new ATOM 0 HA SER A 72 0.960 -1.923 -6.002 1.00 0.17 H new ATOM 0 HB2 SER A 72 2.263 0.125 -5.454 1.00 0.29 H new ATOM 0 HB3 SER A 72 2.702 -0.565 -3.904 1.00 0.29 H new ATOM 0 HG SER A 72 4.339 -0.904 -5.510 1.00 1.13 H new ATOM 604 N PHE A 73 1.512 -2.928 -2.875 1.00 0.20 N ATOM 605 CA PHE A 73 1.758 -4.138 -2.093 1.00 0.17 C ATOM 606 C PHE A 73 0.632 -5.143 -2.256 1.00 0.13 C ATOM 607 O PHE A 73 0.875 -6.337 -2.409 1.00 0.15 O ATOM 608 CB PHE A 73 1.925 -3.793 -0.609 1.00 0.24 C ATOM 609 CG PHE A 73 2.844 -2.633 -0.351 1.00 0.24 C ATOM 610 CD1 PHE A 73 4.110 -2.606 -0.910 1.00 0.27 C ATOM 611 CD2 PHE A 73 2.447 -1.573 0.449 1.00 0.23 C ATOM 612 CE1 PHE A 73 4.963 -1.546 -0.680 1.00 0.28 C ATOM 613 CE2 PHE A 73 3.296 -0.508 0.684 1.00 0.23 C ATOM 614 CZ PHE A 73 4.535 -0.480 0.135 1.00 0.26 C ATOM 0 H PHE A 73 1.408 -2.075 -2.326 1.00 0.20 H new ATOM 0 HA PHE A 73 2.678 -4.587 -2.467 1.00 0.17 H new ATOM 0 HB2 PHE A 73 0.946 -3.568 -0.186 1.00 0.24 H new ATOM 0 HB3 PHE A 73 2.306 -4.669 -0.084 1.00 0.24 H new ATOM 0 HD1 PHE A 73 4.434 -3.425 -1.534 1.00 0.27 H new ATOM 0 HD2 PHE A 73 1.463 -1.579 0.894 1.00 0.23 H new ATOM 0 HE1 PHE A 73 5.949 -1.534 -1.121 1.00 0.28 H new ATOM 0 HE2 PHE A 73 2.969 0.309 1.310 1.00 0.23 H new ATOM 0 HZ PHE A 73 5.192 0.357 0.322 1.00 0.26 H new ATOM 624 N CYS A 74 -0.600 -4.656 -2.225 1.00 0.15 N ATOM 625 CA CYS A 74 -1.762 -5.514 -2.374 1.00 0.20 C ATOM 626 C CYS A 74 -1.721 -6.246 -3.714 1.00 0.16 C ATOM 627 O CYS A 74 -1.880 -7.466 -3.772 1.00 0.27 O ATOM 628 CB CYS A 74 -3.032 -4.674 -2.274 1.00 0.31 C ATOM 629 SG CYS A 74 -4.012 -4.982 -0.787 1.00 0.90 S ATOM 0 H CYS A 74 -0.819 -3.668 -2.098 1.00 0.15 H new ATOM 0 HA CYS A 74 -1.756 -6.258 -1.577 1.00 0.20 H new ATOM 0 HB2 CYS A 74 -2.759 -3.619 -2.303 1.00 0.31 H new ATOM 0 HB3 CYS A 74 -3.651 -4.867 -3.150 1.00 0.31 H new ATOM 0 HG CYS A 74 -4.722 -6.059 -0.951 1.00 0.90 H new ATOM 635 N VAL A 75 -1.512 -5.486 -4.788 1.00 0.25 N ATOM 636 CA VAL A 75 -1.443 -6.033 -6.129 1.00 0.28 C ATOM 637 C VAL A 75 -0.392 -7.131 -6.255 1.00 0.27 C ATOM 638 O VAL A 75 -0.583 -8.100 -6.988 1.00 0.29 O ATOM 639 CB VAL A 75 -1.151 -4.911 -7.143 1.00 0.37 C ATOM 640 CG1 VAL A 75 0.304 -4.902 -7.595 1.00 0.38 C ATOM 641 CG2 VAL A 75 -2.078 -5.049 -8.316 1.00 0.43 C ATOM 0 H VAL A 75 -1.387 -4.475 -4.746 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.412 -6.483 -6.344 1.00 0.28 H new ATOM 0 HB VAL A 75 -1.325 -3.954 -6.650 1.00 0.37 H new ATOM 0 HG11 VAL A 75 0.458 -4.093 -8.309 1.00 0.38 H new ATOM 0 HG12 VAL A 75 0.952 -4.753 -6.732 1.00 0.38 H new ATOM 0 HG13 VAL A 75 0.544 -5.854 -8.068 1.00 0.38 H new ATOM 0 HG21 VAL A 75 -1.874 -4.256 -9.036 1.00 0.43 H new ATOM 0 HG22 VAL A 75 -1.923 -6.018 -8.790 1.00 0.43 H new ATOM 0 HG23 VAL A 75 -3.110 -4.973 -7.975 1.00 0.43 H new ATOM 651 N SER A 76 0.723 -6.969 -5.560 1.00 0.27 N ATOM 652 CA SER A 76 1.786 -7.960 -5.615 1.00 0.28 C ATOM 653 C SER A 76 1.566 -9.038 -4.560 1.00 0.23 C ATOM 654 O SER A 76 2.244 -10.066 -4.550 1.00 0.26 O ATOM 655 CB SER A 76 3.151 -7.298 -5.415 1.00 0.32 C ATOM 656 OG SER A 76 4.194 -8.257 -5.471 1.00 0.90 O ATOM 0 H SER A 76 0.915 -6.169 -4.957 1.00 0.27 H new ATOM 0 HA SER A 76 1.767 -8.426 -6.600 1.00 0.28 H new ATOM 0 HB2 SER A 76 3.307 -6.540 -6.183 1.00 0.32 H new ATOM 0 HB3 SER A 76 3.174 -6.787 -4.453 1.00 0.32 H new ATOM 0 HG SER A 76 3.821 -9.154 -5.338 1.00 0.90 H new ATOM 662 N TYR A 77 0.608 -8.788 -3.674 1.00 0.18 N ATOM 663 CA TYR A 77 0.279 -9.719 -2.600 1.00 0.16 C ATOM 664 C TYR A 77 -0.800 -10.713 -3.037 1.00 0.17 C ATOM 665 O TYR A 77 -0.855 -11.837 -2.537 1.00 0.20 O ATOM 666 CB TYR A 77 -0.168 -8.931 -1.361 1.00 0.16 C ATOM 667 CG TYR A 77 -1.239 -9.608 -0.543 1.00 0.15 C ATOM 668 CD1 TYR A 77 -0.902 -10.561 0.403 1.00 0.17 C ATOM 669 CD2 TYR A 77 -2.579 -9.293 -0.714 1.00 0.20 C ATOM 670 CE1 TYR A 77 -1.869 -11.184 1.160 1.00 0.19 C ATOM 671 CE2 TYR A 77 -3.555 -9.912 0.038 1.00 0.22 C ATOM 672 CZ TYR A 77 -3.221 -10.849 0.949 1.00 0.21 C ATOM 673 OH TYR A 77 -4.166 -11.476 1.731 1.00 0.25 O ATOM 0 H TYR A 77 0.041 -7.940 -3.679 1.00 0.18 H new ATOM 0 HA TYR A 77 1.168 -10.299 -2.353 1.00 0.16 H new ATOM 0 HB2 TYR A 77 0.700 -8.754 -0.726 1.00 0.16 H new ATOM 0 HB3 TYR A 77 -0.534 -7.955 -1.679 1.00 0.16 H new ATOM 0 HD1 TYR A 77 0.136 -10.820 0.550 1.00 0.17 H new ATOM 0 HD2 TYR A 77 -2.862 -8.552 -1.447 1.00 0.20 H new ATOM 0 HE1 TYR A 77 -1.595 -11.918 1.904 1.00 0.19 H new ATOM 0 HE2 TYR A 77 -4.592 -9.645 -0.103 1.00 0.22 H new ATOM 0 HH TYR A 77 -5.059 -11.155 1.486 1.00 0.25 H new ATOM 683 N VAL A 78 -1.651 -10.298 -3.973 1.00 0.19 N ATOM 684 CA VAL A 78 -2.722 -11.164 -4.462 1.00 0.25 C ATOM 685 C VAL A 78 -2.170 -12.324 -5.278 1.00 0.27 C ATOM 686 O VAL A 78 -2.894 -13.261 -5.609 1.00 0.25 O ATOM 687 CB VAL A 78 -3.745 -10.397 -5.316 1.00 0.33 C ATOM 688 CG1 VAL A 78 -4.755 -9.708 -4.425 1.00 0.98 C ATOM 689 CG2 VAL A 78 -3.057 -9.397 -6.230 1.00 0.72 C ATOM 0 H VAL A 78 -1.621 -9.375 -4.405 1.00 0.19 H new ATOM 0 HA VAL A 78 -3.226 -11.549 -3.576 1.00 0.25 H new ATOM 0 HB VAL A 78 -4.270 -11.113 -5.948 1.00 0.33 H new ATOM 0 HG11 VAL A 78 -5.474 -9.168 -5.040 1.00 0.98 H new ATOM 0 HG12 VAL A 78 -5.278 -10.452 -3.824 1.00 0.98 H new ATOM 0 HG13 VAL A 78 -4.241 -9.007 -3.767 1.00 0.98 H new ATOM 0 HG21 VAL A 78 -3.806 -8.870 -6.822 1.00 0.72 H new ATOM 0 HG22 VAL A 78 -2.498 -8.680 -5.629 1.00 0.72 H new ATOM 0 HG23 VAL A 78 -2.373 -9.923 -6.896 1.00 0.72 H new ATOM 699 N ASP A 79 -0.887 -12.255 -5.603 1.00 0.36 N ATOM 700 CA ASP A 79 -0.245 -13.311 -6.371 1.00 0.41 C ATOM 701 C ASP A 79 -0.071 -14.553 -5.506 1.00 0.43 C ATOM 702 O ASP A 79 0.409 -15.588 -5.968 1.00 0.51 O ATOM 703 CB ASP A 79 1.113 -12.837 -6.897 1.00 0.48 C ATOM 704 CG ASP A 79 1.771 -13.856 -7.807 1.00 0.68 C ATOM 705 OD1 ASP A 79 1.488 -13.837 -9.024 1.00 1.31 O ATOM 706 OD2 ASP A 79 2.571 -14.672 -7.303 1.00 0.93 O ATOM 0 H ASP A 79 -0.272 -11.482 -5.348 1.00 0.36 H new ATOM 0 HA ASP A 79 -0.878 -13.560 -7.222 1.00 0.41 H new ATOM 0 HB2 ASP A 79 0.982 -11.901 -7.440 1.00 0.48 H new ATOM 0 HB3 ASP A 79 1.772 -12.628 -6.055 1.00 0.48 H new ATOM 711 N SER A 80 -0.472 -14.439 -4.241 1.00 0.41 N ATOM 712 CA SER A 80 -0.365 -15.544 -3.300 1.00 0.46 C ATOM 713 C SER A 80 -1.742 -16.077 -2.912 1.00 0.42 C ATOM 714 O SER A 80 -1.845 -17.017 -2.124 1.00 0.46 O ATOM 715 CB SER A 80 0.393 -15.100 -2.047 1.00 0.52 C ATOM 716 OG SER A 80 0.528 -16.168 -1.126 1.00 1.49 O ATOM 0 H SER A 80 -0.875 -13.589 -3.847 1.00 0.41 H new ATOM 0 HA SER A 80 0.186 -16.347 -3.789 1.00 0.46 H new ATOM 0 HB2 SER A 80 1.380 -14.731 -2.327 1.00 0.52 H new ATOM 0 HB3 SER A 80 -0.135 -14.272 -1.573 1.00 0.52 H new ATOM 0 HG SER A 80 -0.238 -16.773 -1.213 1.00 1.49 H new ATOM 722 N ILE A 81 -2.801 -15.475 -3.459 1.00 0.38 N ATOM 723 CA ILE A 81 -4.158 -15.924 -3.158 1.00 0.38 C ATOM 724 C ILE A 81 -4.291 -17.416 -3.465 1.00 0.51 C ATOM 725 O ILE A 81 -4.397 -17.807 -4.628 1.00 1.39 O ATOM 726 CB ILE A 81 -5.241 -15.161 -3.972 1.00 0.29 C ATOM 727 CG1 ILE A 81 -5.289 -13.653 -3.659 1.00 0.33 C ATOM 728 CG2 ILE A 81 -6.610 -15.771 -3.717 1.00 0.40 C ATOM 729 CD1 ILE A 81 -4.931 -13.282 -2.235 1.00 0.56 C ATOM 0 H ILE A 81 -2.745 -14.686 -4.104 1.00 0.38 H new ATOM 0 HA ILE A 81 -4.324 -15.722 -2.100 1.00 0.38 H new ATOM 0 HB ILE A 81 -4.965 -15.263 -5.022 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -4.609 -13.135 -4.335 1.00 0.33 H new ATOM 0 HG13 ILE A 81 -6.292 -13.285 -3.873 1.00 0.33 H new ATOM 0 HG21 ILE A 81 -7.362 -15.230 -4.291 1.00 0.40 H new ATOM 0 HG22 ILE A 81 -6.604 -16.818 -4.021 1.00 0.40 H new ATOM 0 HG23 ILE A 81 -6.846 -15.703 -2.655 1.00 0.40 H new ATOM 0 HD11 ILE A 81 -4.994 -12.201 -2.114 1.00 0.56 H new ATOM 0 HD12 ILE A 81 -5.625 -13.765 -1.548 1.00 0.56 H new ATOM 0 HD13 ILE A 81 -3.916 -13.613 -2.017 1.00 0.56 H new ATOM 741 N GLN A 82 -4.283 -18.249 -2.424 1.00 0.92 N ATOM 742 CA GLN A 82 -4.406 -19.691 -2.615 1.00 0.92 C ATOM 743 C GLN A 82 -5.831 -20.037 -3.023 1.00 0.93 C ATOM 744 O GLN A 82 -6.058 -20.887 -3.885 1.00 1.11 O ATOM 745 CB GLN A 82 -3.997 -20.455 -1.349 1.00 0.98 C ATOM 746 CG GLN A 82 -5.162 -20.820 -0.452 1.00 1.54 C ATOM 747 CD GLN A 82 -5.711 -22.211 -0.728 1.00 1.78 C ATOM 748 OE1 GLN A 82 -6.748 -22.298 -1.560 1.00 2.55 O flip ATOM 749 NE2 GLN A 82 -5.214 -23.200 -0.188 1.00 1.43 N flip ATOM 0 H GLN A 82 -4.194 -17.953 -1.452 1.00 0.92 H new ATOM 0 HA GLN A 82 -3.728 -19.995 -3.412 1.00 0.92 H new ATOM 0 HB2 GLN A 82 -3.474 -21.366 -1.639 1.00 0.98 H new ATOM 0 HB3 GLN A 82 -3.290 -19.849 -0.782 1.00 0.98 H new ATOM 0 HG2 GLN A 82 -4.844 -20.761 0.589 1.00 1.54 H new ATOM 0 HG3 GLN A 82 -5.959 -20.088 -0.584 1.00 1.54 H new ATOM 0 HE21 GLN A 82 -4.420 -23.091 0.443 1.00 1.43 H new ATOM 0 HE22 GLN A 82 -5.596 -24.128 -0.372 1.00 1.43 H new ATOM 758 N GLN A 83 -6.786 -19.368 -2.387 1.00 0.85 N ATOM 759 CA GLN A 83 -8.187 -19.572 -2.672 1.00 0.93 C ATOM 760 C GLN A 83 -8.453 -19.269 -4.134 1.00 0.96 C ATOM 761 O GLN A 83 -7.545 -18.877 -4.869 1.00 1.85 O ATOM 762 CB GLN A 83 -9.046 -18.691 -1.767 1.00 0.93 C ATOM 763 CG GLN A 83 -10.038 -19.468 -0.921 1.00 1.39 C ATOM 764 CD GLN A 83 -11.298 -19.813 -1.686 1.00 2.06 C ATOM 765 OE1 GLN A 83 -11.683 -18.939 -2.608 1.00 2.56 O flip ATOM 766 NE2 GLN A 83 -11.922 -20.848 -1.447 1.00 2.55 N flip ATOM 0 H GLN A 83 -6.604 -18.673 -1.663 1.00 0.85 H new ATOM 0 HA GLN A 83 -8.450 -20.611 -2.475 1.00 0.93 H new ATOM 0 HB2 GLN A 83 -8.394 -18.116 -1.110 1.00 0.93 H new ATOM 0 HB3 GLN A 83 -9.590 -17.975 -2.383 1.00 0.93 H new ATOM 0 HG2 GLN A 83 -9.569 -20.385 -0.565 1.00 1.39 H new ATOM 0 HG3 GLN A 83 -10.299 -18.881 -0.040 1.00 1.39 H new ATOM 0 HE21 GLN A 83 -11.588 -21.491 -0.729 1.00 2.55 H new ATOM 0 HE22 GLN A 83 -12.773 -21.062 -1.967 1.00 2.55 H new ATOM 775 N MET A 84 -9.688 -19.438 -4.559 1.00 0.95 N ATOM 776 CA MET A 84 -10.024 -19.209 -5.949 1.00 0.91 C ATOM 777 C MET A 84 -11.327 -18.433 -6.105 1.00 0.86 C ATOM 778 O MET A 84 -11.429 -17.549 -6.957 1.00 0.93 O ATOM 779 CB MET A 84 -10.082 -20.549 -6.660 1.00 1.14 C ATOM 780 CG MET A 84 -10.638 -21.660 -5.790 1.00 1.34 C ATOM 781 SD MET A 84 -11.451 -22.957 -6.742 1.00 1.97 S ATOM 782 CE MET A 84 -11.982 -24.057 -5.432 1.00 2.71 C ATOM 0 H MET A 84 -10.468 -19.730 -3.970 1.00 0.95 H new ATOM 0 HA MET A 84 -9.252 -18.588 -6.403 1.00 0.91 H new ATOM 0 HB2 MET A 84 -10.698 -20.453 -7.554 1.00 1.14 H new ATOM 0 HB3 MET A 84 -9.080 -20.822 -6.991 1.00 1.14 H new ATOM 0 HG2 MET A 84 -9.828 -22.098 -5.207 1.00 1.34 H new ATOM 0 HG3 MET A 84 -11.349 -21.237 -5.080 1.00 1.34 H new ATOM 0 HE1 MET A 84 -12.503 -24.912 -5.863 1.00 2.71 H new ATOM 0 HE2 MET A 84 -11.112 -24.406 -4.875 1.00 2.71 H new ATOM 0 HE3 MET A 84 -12.654 -23.524 -4.759 1.00 2.71 H new ATOM 792 N ARG A 85 -12.322 -18.761 -5.288 1.00 0.91 N ATOM 793 CA ARG A 85 -13.598 -18.057 -5.339 1.00 0.92 C ATOM 794 C ARG A 85 -13.549 -16.848 -4.408 1.00 0.87 C ATOM 795 O ARG A 85 -14.553 -16.458 -3.811 1.00 1.16 O ATOM 796 CB ARG A 85 -14.753 -18.989 -4.957 1.00 1.03 C ATOM 797 CG ARG A 85 -14.697 -19.491 -3.523 1.00 1.44 C ATOM 798 CD ARG A 85 -15.832 -20.455 -3.226 1.00 1.51 C ATOM 799 NE ARG A 85 -15.726 -21.682 -4.012 1.00 1.72 N ATOM 800 CZ ARG A 85 -16.612 -22.672 -3.958 1.00 1.89 C ATOM 801 NH1 ARG A 85 -17.671 -22.576 -3.166 1.00 1.65 N ATOM 802 NH2 ARG A 85 -16.440 -23.759 -4.700 1.00 2.78 N ATOM 0 H ARG A 85 -12.271 -19.502 -4.589 1.00 0.91 H new ATOM 0 HA ARG A 85 -13.773 -17.716 -6.359 1.00 0.92 H new ATOM 0 HB2 ARG A 85 -15.696 -18.464 -5.110 1.00 1.03 H new ATOM 0 HB3 ARG A 85 -14.753 -19.846 -5.631 1.00 1.03 H new ATOM 0 HG2 ARG A 85 -13.742 -19.986 -3.347 1.00 1.44 H new ATOM 0 HG3 ARG A 85 -14.748 -18.645 -2.838 1.00 1.44 H new ATOM 0 HD2 ARG A 85 -15.829 -20.703 -2.165 1.00 1.51 H new ATOM 0 HD3 ARG A 85 -16.785 -19.970 -3.438 1.00 1.51 H new ATOM 0 HE ARG A 85 -14.927 -21.785 -4.638 1.00 1.72 H new ATOM 0 HH11 ARG A 85 -17.808 -21.741 -2.596 1.00 1.65 H new ATOM 0 HH12 ARG A 85 -18.349 -23.337 -3.127 1.00 1.65 H new ATOM 0 HH21 ARG A 85 -15.628 -23.835 -5.312 1.00 2.78 H new ATOM 0 HH22 ARG A 85 -17.120 -24.518 -4.658 1.00 2.78 H new ATOM 816 N ASN A 86 -12.357 -16.261 -4.301 1.00 0.63 N ATOM 817 CA ASN A 86 -12.132 -15.104 -3.443 1.00 0.62 C ATOM 818 C ASN A 86 -11.335 -14.025 -4.175 1.00 0.53 C ATOM 819 O ASN A 86 -11.528 -12.833 -3.937 1.00 0.53 O ATOM 820 CB ASN A 86 -11.352 -15.526 -2.199 1.00 0.78 C ATOM 821 CG ASN A 86 -9.885 -15.754 -2.508 1.00 1.65 C ATOM 822 OD1 ASN A 86 -9.616 -16.419 -3.627 1.00 2.49 O flip ATOM 823 ND2 ASN A 86 -9.007 -15.346 -1.751 1.00 1.68 N flip ATOM 0 H ASN A 86 -11.527 -16.574 -4.804 1.00 0.63 H new ATOM 0 HA ASN A 86 -13.105 -14.701 -3.162 1.00 0.62 H new ATOM 0 HB2 ASN A 86 -11.447 -14.758 -1.432 1.00 0.78 H new ATOM 0 HB3 ASN A 86 -11.784 -16.440 -1.791 1.00 0.78 H new ATOM 0 HD21 ASN A 86 -9.260 -14.840 -0.902 1.00 1.68 H new ATOM 0 HD22 ASN A 86 -8.025 -15.514 -1.971 1.00 1.68 H new ATOM 830 N LYS A 87 -10.429 -14.465 -5.050 1.00 0.53 N ATOM 831 CA LYS A 87 -9.574 -13.570 -5.816 1.00 0.56 C ATOM 832 C LYS A 87 -10.317 -12.320 -6.249 1.00 0.45 C ATOM 833 O LYS A 87 -9.905 -11.210 -5.946 1.00 0.40 O ATOM 834 CB LYS A 87 -9.042 -14.306 -7.041 1.00 0.71 C ATOM 835 CG LYS A 87 -7.851 -13.634 -7.692 1.00 1.06 C ATOM 836 CD LYS A 87 -6.637 -13.689 -6.786 1.00 1.59 C ATOM 837 CE LYS A 87 -5.342 -13.654 -7.580 1.00 1.84 C ATOM 838 NZ LYS A 87 -5.152 -12.351 -8.276 1.00 2.28 N ATOM 0 H LYS A 87 -10.271 -15.454 -5.244 1.00 0.53 H new ATOM 0 HA LYS A 87 -8.747 -13.259 -5.177 1.00 0.56 H new ATOM 0 HB2 LYS A 87 -8.762 -15.319 -6.751 1.00 0.71 H new ATOM 0 HB3 LYS A 87 -9.843 -14.395 -7.775 1.00 0.71 H new ATOM 0 HG2 LYS A 87 -7.625 -14.123 -8.639 1.00 1.06 H new ATOM 0 HG3 LYS A 87 -8.093 -12.596 -7.919 1.00 1.06 H new ATOM 0 HD2 LYS A 87 -6.662 -12.848 -6.093 1.00 1.59 H new ATOM 0 HD3 LYS A 87 -6.672 -14.598 -6.186 1.00 1.59 H new ATOM 0 HE2 LYS A 87 -4.501 -13.834 -6.911 1.00 1.84 H new ATOM 0 HE3 LYS A 87 -5.344 -14.460 -8.313 1.00 1.84 H new ATOM 0 HZ1 LYS A 87 -4.145 -12.221 -8.501 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -5.707 -12.343 -9.156 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -5.472 -11.578 -7.658 1.00 2.28 H new ATOM 852 N PHE A 88 -11.429 -12.514 -6.930 1.00 0.43 N ATOM 853 CA PHE A 88 -12.217 -11.391 -7.417 1.00 0.38 C ATOM 854 C PHE A 88 -12.606 -10.459 -6.269 1.00 0.31 C ATOM 855 O PHE A 88 -12.431 -9.248 -6.363 1.00 0.29 O ATOM 856 CB PHE A 88 -13.465 -11.887 -8.148 1.00 0.41 C ATOM 857 CG PHE A 88 -13.157 -12.627 -9.418 1.00 1.01 C ATOM 858 CD1 PHE A 88 -12.933 -11.938 -10.600 1.00 1.44 C ATOM 859 CD2 PHE A 88 -13.088 -14.011 -9.431 1.00 1.34 C ATOM 860 CE1 PHE A 88 -12.647 -12.615 -11.770 1.00 2.19 C ATOM 861 CE2 PHE A 88 -12.803 -14.694 -10.598 1.00 2.07 C ATOM 862 CZ PHE A 88 -12.583 -13.995 -11.769 1.00 2.49 C ATOM 0 H PHE A 88 -11.809 -13.432 -7.160 1.00 0.43 H new ATOM 0 HA PHE A 88 -11.604 -10.828 -8.120 1.00 0.38 H new ATOM 0 HB2 PHE A 88 -14.031 -12.540 -7.484 1.00 0.41 H new ATOM 0 HB3 PHE A 88 -14.105 -11.035 -8.378 1.00 0.41 H new ATOM 0 HD1 PHE A 88 -12.983 -10.859 -10.606 1.00 1.44 H new ATOM 0 HD2 PHE A 88 -13.259 -14.562 -8.518 1.00 1.34 H new ATOM 0 HE1 PHE A 88 -12.474 -12.066 -12.684 1.00 2.19 H new ATOM 0 HE2 PHE A 88 -12.752 -15.773 -10.595 1.00 2.07 H new ATOM 0 HZ PHE A 88 -12.361 -14.527 -12.683 1.00 2.49 H new ATOM 872 N ALA A 89 -13.116 -11.020 -5.184 1.00 0.31 N ATOM 873 CA ALA A 89 -13.512 -10.214 -4.034 1.00 0.29 C ATOM 874 C ALA A 89 -12.405 -9.237 -3.621 1.00 0.26 C ATOM 875 O ALA A 89 -12.556 -8.021 -3.749 1.00 0.27 O ATOM 876 CB ALA A 89 -13.887 -11.113 -2.866 1.00 0.35 C ATOM 0 H ALA A 89 -13.266 -12.023 -5.073 1.00 0.31 H new ATOM 0 HA ALA A 89 -14.382 -9.624 -4.324 1.00 0.29 H new ATOM 0 HB1 ALA A 89 -14.181 -10.499 -2.014 1.00 0.35 H new ATOM 0 HB2 ALA A 89 -14.719 -11.756 -3.154 1.00 0.35 H new ATOM 0 HB3 ALA A 89 -13.031 -11.729 -2.591 1.00 0.35 H new ATOM 882 N PHE A 90 -11.287 -9.780 -3.146 1.00 0.24 N ATOM 883 CA PHE A 90 -10.161 -8.964 -2.691 1.00 0.24 C ATOM 884 C PHE A 90 -9.511 -8.162 -3.818 1.00 0.21 C ATOM 885 O PHE A 90 -9.304 -6.961 -3.683 1.00 0.22 O ATOM 886 CB PHE A 90 -9.092 -9.851 -2.041 1.00 0.26 C ATOM 887 CG PHE A 90 -8.011 -9.061 -1.360 1.00 0.23 C ATOM 888 CD1 PHE A 90 -8.151 -8.682 -0.038 1.00 0.28 C ATOM 889 CD2 PHE A 90 -6.853 -8.711 -2.035 1.00 0.27 C ATOM 890 CE1 PHE A 90 -7.160 -7.968 0.603 1.00 0.27 C ATOM 891 CE2 PHE A 90 -5.856 -7.993 -1.400 1.00 0.28 C ATOM 892 CZ PHE A 90 -6.013 -7.580 -0.121 1.00 0.23 C ATOM 0 H PHE A 90 -11.135 -10.785 -3.065 1.00 0.24 H new ATOM 0 HA PHE A 90 -10.569 -8.257 -1.969 1.00 0.24 H new ATOM 0 HB2 PHE A 90 -9.567 -10.509 -1.314 1.00 0.26 H new ATOM 0 HB3 PHE A 90 -8.644 -10.489 -2.803 1.00 0.26 H new ATOM 0 HD1 PHE A 90 -9.049 -8.949 0.500 1.00 0.28 H new ATOM 0 HD2 PHE A 90 -6.728 -9.002 -3.068 1.00 0.27 H new ATOM 0 HE1 PHE A 90 -7.261 -7.709 1.647 1.00 0.27 H new ATOM 0 HE2 PHE A 90 -4.944 -7.760 -1.930 1.00 0.28 H new ATOM 0 HZ PHE A 90 -5.264 -6.956 0.343 1.00 0.23 H new ATOM 902 N ARG A 91 -9.205 -8.826 -4.929 1.00 0.19 N ATOM 903 CA ARG A 91 -8.520 -8.180 -6.052 1.00 0.21 C ATOM 904 C ARG A 91 -9.258 -6.932 -6.533 1.00 0.20 C ATOM 905 O ARG A 91 -8.728 -5.823 -6.462 1.00 0.19 O ATOM 906 CB ARG A 91 -8.357 -9.156 -7.210 1.00 0.25 C ATOM 907 CG ARG A 91 -6.990 -9.082 -7.861 1.00 0.34 C ATOM 908 CD ARG A 91 -6.940 -9.925 -9.115 1.00 1.15 C ATOM 909 NE ARG A 91 -5.606 -9.945 -9.712 1.00 1.75 N ATOM 910 CZ ARG A 91 -5.319 -10.558 -10.856 1.00 2.52 C ATOM 911 NH1 ARG A 91 -6.266 -11.204 -11.523 1.00 2.91 N ATOM 912 NH2 ARG A 91 -4.082 -10.526 -11.334 1.00 3.34 N ATOM 0 H ARG A 91 -9.419 -9.812 -5.079 1.00 0.19 H new ATOM 0 HA ARG A 91 -7.538 -7.872 -5.693 1.00 0.21 H new ATOM 0 HB2 ARG A 91 -8.527 -10.170 -6.849 1.00 0.25 H new ATOM 0 HB3 ARG A 91 -9.122 -8.952 -7.960 1.00 0.25 H new ATOM 0 HG2 ARG A 91 -6.755 -8.046 -8.106 1.00 0.34 H new ATOM 0 HG3 ARG A 91 -6.230 -9.424 -7.158 1.00 0.34 H new ATOM 0 HD2 ARG A 91 -7.246 -10.944 -8.878 1.00 1.15 H new ATOM 0 HD3 ARG A 91 -7.655 -9.538 -9.840 1.00 1.15 H new ATOM 0 HE ARG A 91 -4.853 -9.461 -9.223 1.00 1.75 H new ATOM 0 HH11 ARG A 91 -7.218 -11.232 -11.158 1.00 2.91 H new ATOM 0 HH12 ARG A 91 -6.042 -11.673 -12.401 1.00 2.91 H new ATOM 0 HH21 ARG A 91 -3.351 -10.031 -10.824 1.00 3.34 H new ATOM 0 HH22 ARG A 91 -3.862 -10.997 -12.212 1.00 3.34 H new ATOM 926 N GLU A 92 -10.471 -7.123 -7.043 1.00 0.25 N ATOM 927 CA GLU A 92 -11.278 -6.000 -7.525 1.00 0.27 C ATOM 928 C GLU A 92 -11.354 -4.933 -6.451 1.00 0.26 C ATOM 929 O GLU A 92 -11.335 -3.740 -6.742 1.00 0.25 O ATOM 930 CB GLU A 92 -12.680 -6.461 -7.903 1.00 0.32 C ATOM 931 CG GLU A 92 -12.678 -7.736 -8.710 1.00 1.17 C ATOM 932 CD GLU A 92 -12.104 -7.553 -10.101 1.00 1.97 C ATOM 933 OE1 GLU A 92 -10.870 -7.663 -10.253 1.00 2.58 O ATOM 934 OE2 GLU A 92 -12.889 -7.299 -11.039 1.00 2.25 O ATOM 0 H GLU A 92 -10.917 -8.036 -7.134 1.00 0.25 H new ATOM 0 HA GLU A 92 -10.805 -5.587 -8.416 1.00 0.27 H new ATOM 0 HB2 GLU A 92 -13.265 -6.611 -6.996 1.00 0.32 H new ATOM 0 HB3 GLU A 92 -13.174 -5.675 -8.474 1.00 0.32 H new ATOM 0 HG2 GLU A 92 -12.100 -8.494 -8.181 1.00 1.17 H new ATOM 0 HG3 GLU A 92 -13.698 -8.111 -8.790 1.00 1.17 H new ATOM 941 N ALA A 93 -11.442 -5.376 -5.205 1.00 0.26 N ATOM 942 CA ALA A 93 -11.486 -4.444 -4.081 1.00 0.26 C ATOM 943 C ALA A 93 -10.249 -3.544 -4.114 1.00 0.23 C ATOM 944 O ALA A 93 -10.329 -2.331 -3.877 1.00 0.22 O ATOM 945 CB ALA A 93 -11.579 -5.190 -2.758 1.00 0.29 C ATOM 0 H ALA A 93 -11.484 -6.362 -4.946 1.00 0.26 H new ATOM 0 HA ALA A 93 -12.378 -3.824 -4.171 1.00 0.26 H new ATOM 0 HB1 ALA A 93 -11.610 -4.473 -1.937 1.00 0.29 H new ATOM 0 HB2 ALA A 93 -12.485 -5.796 -2.745 1.00 0.29 H new ATOM 0 HB3 ALA A 93 -10.709 -5.836 -2.643 1.00 0.29 H new ATOM 951 N ILE A 94 -9.103 -4.147 -4.427 1.00 0.21 N ATOM 952 CA ILE A 94 -7.860 -3.397 -4.530 1.00 0.20 C ATOM 953 C ILE A 94 -7.996 -2.369 -5.633 1.00 0.19 C ATOM 954 O ILE A 94 -7.522 -1.238 -5.522 1.00 0.20 O ATOM 955 CB ILE A 94 -6.658 -4.292 -4.877 1.00 0.20 C ATOM 956 CG1 ILE A 94 -6.681 -5.591 -4.087 1.00 0.23 C ATOM 957 CG2 ILE A 94 -5.370 -3.543 -4.613 1.00 0.22 C ATOM 958 CD1 ILE A 94 -5.655 -6.590 -4.568 1.00 0.24 C ATOM 0 H ILE A 94 -9.013 -5.146 -4.612 1.00 0.21 H new ATOM 0 HA ILE A 94 -7.681 -2.937 -3.558 1.00 0.20 H new ATOM 0 HB ILE A 94 -6.721 -4.548 -5.935 1.00 0.20 H new ATOM 0 HG12 ILE A 94 -6.503 -5.373 -3.034 1.00 0.23 H new ATOM 0 HG13 ILE A 94 -7.674 -6.035 -4.157 1.00 0.23 H new ATOM 0 HG21 ILE A 94 -4.521 -4.181 -4.860 1.00 0.22 H new ATOM 0 HG22 ILE A 94 -5.339 -2.644 -5.228 1.00 0.22 H new ATOM 0 HG23 ILE A 94 -5.320 -3.264 -3.560 1.00 0.22 H new ATOM 0 HD11 ILE A 94 -5.720 -7.496 -3.966 1.00 0.24 H new ATOM 0 HD12 ILE A 94 -5.847 -6.834 -5.613 1.00 0.24 H new ATOM 0 HD13 ILE A 94 -4.657 -6.161 -4.473 1.00 0.24 H new ATOM 970 N ASN A 95 -8.657 -2.792 -6.705 1.00 0.20 N ATOM 971 CA ASN A 95 -8.889 -1.941 -7.855 1.00 0.21 C ATOM 972 C ASN A 95 -9.697 -0.719 -7.435 1.00 0.21 C ATOM 973 O ASN A 95 -9.540 0.362 -8.000 1.00 0.25 O ATOM 974 CB ASN A 95 -9.619 -2.739 -8.942 1.00 0.23 C ATOM 975 CG ASN A 95 -10.810 -2.003 -9.515 1.00 0.26 C ATOM 976 OD1 ASN A 95 -11.828 -1.825 -8.688 1.00 0.33 O flip ATOM 977 ND2 ASN A 95 -10.807 -1.587 -10.674 1.00 0.24 N flip ATOM 0 H ASN A 95 -9.044 -3.731 -6.796 1.00 0.20 H new ATOM 0 HA ASN A 95 -7.937 -1.597 -8.260 1.00 0.21 H new ATOM 0 HB2 ASN A 95 -8.921 -2.971 -9.746 1.00 0.23 H new ATOM 0 HB3 ASN A 95 -9.952 -3.690 -8.525 1.00 0.23 H new ATOM 0 HD21 ASN A 95 -9.997 -1.750 -11.272 1.00 0.24 H new ATOM 0 HD22 ASN A 95 -11.614 -1.079 -11.036 1.00 0.24 H new ATOM 984 N LYS A 96 -10.571 -0.896 -6.440 1.00 0.20 N ATOM 985 CA LYS A 96 -11.380 0.207 -5.944 1.00 0.20 C ATOM 986 C LYS A 96 -10.479 1.281 -5.363 1.00 0.19 C ATOM 987 O LYS A 96 -10.625 2.462 -5.681 1.00 0.20 O ATOM 988 CB LYS A 96 -12.379 -0.267 -4.884 1.00 0.24 C ATOM 989 CG LYS A 96 -13.735 -0.640 -5.453 1.00 0.34 C ATOM 990 CD LYS A 96 -13.716 -2.023 -6.075 1.00 0.76 C ATOM 991 CE LYS A 96 -14.941 -2.259 -6.939 1.00 0.75 C ATOM 992 NZ LYS A 96 -14.960 -3.633 -7.512 1.00 1.64 N ATOM 0 H LYS A 96 -10.732 -1.787 -5.969 1.00 0.20 H new ATOM 0 HA LYS A 96 -11.947 0.617 -6.780 1.00 0.20 H new ATOM 0 HB2 LYS A 96 -11.963 -1.130 -4.364 1.00 0.24 H new ATOM 0 HB3 LYS A 96 -12.510 0.520 -4.142 1.00 0.24 H new ATOM 0 HG2 LYS A 96 -14.484 -0.606 -4.662 1.00 0.34 H new ATOM 0 HG3 LYS A 96 -14.030 0.093 -6.203 1.00 0.34 H new ATOM 0 HD2 LYS A 96 -12.816 -2.140 -6.678 1.00 0.76 H new ATOM 0 HD3 LYS A 96 -13.673 -2.777 -5.289 1.00 0.76 H new ATOM 0 HE2 LYS A 96 -15.841 -2.101 -6.344 1.00 0.75 H new ATOM 0 HE3 LYS A 96 -14.961 -1.528 -7.747 1.00 0.75 H new ATOM 0 HZ1 LYS A 96 -15.812 -3.754 -8.096 1.00 1.64 H new ATOM 0 HZ2 LYS A 96 -14.114 -3.775 -8.100 1.00 1.64 H new ATOM 0 HZ3 LYS A 96 -14.967 -4.331 -6.741 1.00 1.64 H new ATOM 1006 N LEU A 97 -9.547 0.871 -4.501 1.00 0.21 N ATOM 1007 CA LEU A 97 -8.616 1.823 -3.904 1.00 0.22 C ATOM 1008 C LEU A 97 -7.821 2.531 -4.992 1.00 0.21 C ATOM 1009 O LEU A 97 -7.498 3.707 -4.868 1.00 0.25 O ATOM 1010 CB LEU A 97 -7.640 1.144 -2.942 1.00 0.25 C ATOM 1011 CG LEU A 97 -6.582 2.091 -2.366 1.00 0.38 C ATOM 1012 CD1 LEU A 97 -7.205 3.017 -1.341 1.00 0.52 C ATOM 1013 CD2 LEU A 97 -5.431 1.322 -1.748 1.00 0.62 C ATOM 0 H LEU A 97 -9.419 -0.097 -4.206 1.00 0.21 H new ATOM 0 HA LEU A 97 -9.211 2.542 -3.340 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -8.203 0.700 -2.121 1.00 0.25 H new ATOM 0 HB3 LEU A 97 -7.139 0.328 -3.463 1.00 0.25 H new ATOM 0 HG LEU A 97 -6.185 2.687 -3.187 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -6.441 3.684 -0.941 1.00 0.52 H new ATOM 0 HD12 LEU A 97 -7.990 3.607 -1.814 1.00 0.52 H new ATOM 0 HD13 LEU A 97 -7.633 2.427 -0.530 1.00 0.52 H new ATOM 0 HD21 LEU A 97 -4.698 2.023 -1.349 1.00 0.62 H new ATOM 0 HD22 LEU A 97 -5.806 0.691 -0.942 1.00 0.62 H new ATOM 0 HD23 LEU A 97 -4.960 0.698 -2.508 1.00 0.62 H new ATOM 1025 N GLU A 98 -7.529 1.807 -6.064 1.00 0.18 N ATOM 1026 CA GLU A 98 -6.768 2.361 -7.175 1.00 0.19 C ATOM 1027 C GLU A 98 -7.443 3.623 -7.697 1.00 0.17 C ATOM 1028 O GLU A 98 -6.844 4.697 -7.719 1.00 0.20 O ATOM 1029 CB GLU A 98 -6.647 1.329 -8.294 1.00 0.21 C ATOM 1030 CG GLU A 98 -5.853 1.815 -9.492 1.00 0.27 C ATOM 1031 CD GLU A 98 -4.576 2.535 -9.102 1.00 0.88 C ATOM 1032 OE1 GLU A 98 -3.555 1.854 -8.875 1.00 1.87 O ATOM 1033 OE2 GLU A 98 -4.600 3.782 -9.024 1.00 0.96 O ATOM 0 H GLU A 98 -7.808 0.834 -6.188 1.00 0.18 H new ATOM 0 HA GLU A 98 -5.769 2.618 -6.823 1.00 0.19 H new ATOM 0 HB2 GLU A 98 -6.175 0.430 -7.897 1.00 0.21 H new ATOM 0 HB3 GLU A 98 -7.647 1.045 -8.623 1.00 0.21 H new ATOM 0 HG2 GLU A 98 -5.605 0.964 -10.126 1.00 0.27 H new ATOM 0 HG3 GLU A 98 -6.475 2.485 -10.086 1.00 0.27 H new ATOM 1040 N ASN A 99 -8.699 3.481 -8.103 1.00 0.16 N ATOM 1041 CA ASN A 99 -9.468 4.604 -8.626 1.00 0.17 C ATOM 1042 C ASN A 99 -9.678 5.673 -7.556 1.00 0.21 C ATOM 1043 O ASN A 99 -9.618 6.865 -7.849 1.00 0.44 O ATOM 1044 CB ASN A 99 -10.818 4.125 -9.162 1.00 0.22 C ATOM 1045 CG ASN A 99 -10.672 3.171 -10.332 1.00 1.00 C ATOM 1046 OD1 ASN A 99 -10.597 3.593 -11.485 1.00 2.12 O ATOM 1047 ND2 ASN A 99 -10.634 1.877 -10.039 1.00 0.62 N ATOM 0 H ASN A 99 -9.208 2.597 -8.080 1.00 0.16 H new ATOM 0 HA ASN A 99 -8.899 5.046 -9.444 1.00 0.17 H new ATOM 0 HB2 ASN A 99 -11.369 3.632 -8.361 1.00 0.22 H new ATOM 0 HB3 ASN A 99 -11.409 4.987 -9.471 1.00 0.22 H new ATOM 0 HD21 ASN A 99 -10.539 1.188 -10.785 1.00 0.62 H new ATOM 0 HD22 ASN A 99 -10.700 1.572 -9.068 1.00 0.62 H new ATOM 1054 N ASN A 100 -9.943 5.249 -6.319 1.00 0.17 N ATOM 1055 CA ASN A 100 -10.143 6.183 -5.224 1.00 0.16 C ATOM 1056 C ASN A 100 -8.992 7.177 -5.171 1.00 0.16 C ATOM 1057 O ASN A 100 -9.203 8.387 -5.090 1.00 0.21 O ATOM 1058 CB ASN A 100 -10.257 5.415 -3.906 1.00 0.19 C ATOM 1059 CG ASN A 100 -9.485 6.067 -2.785 1.00 0.18 C ATOM 1060 OD1 ASN A 100 -10.015 6.894 -2.043 1.00 0.26 O ATOM 1061 ND2 ASN A 100 -8.220 5.697 -2.664 1.00 0.21 N ATOM 0 H ASN A 100 -10.023 4.266 -6.057 1.00 0.17 H new ATOM 0 HA ASN A 100 -11.067 6.738 -5.385 1.00 0.16 H new ATOM 0 HB2 ASN A 100 -11.307 5.340 -3.623 1.00 0.19 H new ATOM 0 HB3 ASN A 100 -9.892 4.398 -4.050 1.00 0.19 H new ATOM 0 HD21 ASN A 100 -7.638 6.102 -1.930 1.00 0.21 H new ATOM 0 HD22 ASN A 100 -7.827 5.007 -3.304 1.00 0.21 H new ATOM 1068 N LEU A 101 -7.772 6.654 -5.224 1.00 0.19 N ATOM 1069 CA LEU A 101 -6.585 7.492 -5.208 1.00 0.25 C ATOM 1070 C LEU A 101 -6.524 8.303 -6.499 1.00 0.23 C ATOM 1071 O LEU A 101 -6.147 9.474 -6.500 1.00 0.25 O ATOM 1072 CB LEU A 101 -5.327 6.630 -5.077 1.00 0.32 C ATOM 1073 CG LEU A 101 -5.385 5.533 -4.009 1.00 0.42 C ATOM 1074 CD1 LEU A 101 -4.443 4.399 -4.365 1.00 0.32 C ATOM 1075 CD2 LEU A 101 -5.045 6.091 -2.637 1.00 0.58 C ATOM 0 H LEU A 101 -7.582 5.653 -5.278 1.00 0.19 H new ATOM 0 HA LEU A 101 -6.635 8.166 -4.353 1.00 0.25 H new ATOM 0 HB2 LEU A 101 -5.126 6.163 -6.041 1.00 0.32 H new ATOM 0 HB3 LEU A 101 -4.482 7.283 -4.857 1.00 0.32 H new ATOM 0 HG LEU A 101 -6.403 5.146 -3.976 1.00 0.42 H new ATOM 0 HD11 LEU A 101 -4.496 3.628 -3.597 1.00 0.32 H new ATOM 0 HD12 LEU A 101 -4.732 3.974 -5.326 1.00 0.32 H new ATOM 0 HD13 LEU A 101 -3.423 4.779 -4.428 1.00 0.32 H new ATOM 0 HD21 LEU A 101 -5.093 5.292 -1.897 1.00 0.58 H new ATOM 0 HD22 LEU A 101 -4.039 6.510 -2.654 1.00 0.58 H new ATOM 0 HD23 LEU A 101 -5.759 6.872 -2.375 1.00 0.58 H new ATOM 1087 N ARG A 102 -6.911 7.656 -7.595 1.00 0.22 N ATOM 1088 CA ARG A 102 -6.919 8.288 -8.911 1.00 0.23 C ATOM 1089 C ARG A 102 -7.734 9.572 -8.907 1.00 0.24 C ATOM 1090 O ARG A 102 -7.417 10.511 -9.629 1.00 0.34 O ATOM 1091 CB ARG A 102 -7.502 7.337 -9.955 1.00 0.25 C ATOM 1092 CG ARG A 102 -6.551 6.241 -10.402 1.00 0.29 C ATOM 1093 CD ARG A 102 -7.105 5.485 -11.599 1.00 0.38 C ATOM 1094 NE ARG A 102 -7.414 6.378 -12.712 1.00 0.97 N ATOM 1095 CZ ARG A 102 -7.974 5.978 -13.850 1.00 1.26 C ATOM 1096 NH1 ARG A 102 -8.276 4.699 -14.031 1.00 1.25 N ATOM 1097 NH2 ARG A 102 -8.230 6.857 -14.809 1.00 2.09 N ATOM 0 H ARG A 102 -7.226 6.686 -7.597 1.00 0.22 H new ATOM 0 HA ARG A 102 -5.885 8.527 -9.161 1.00 0.23 H new ATOM 0 HB2 ARG A 102 -8.402 6.877 -9.548 1.00 0.25 H new ATOM 0 HB3 ARG A 102 -7.806 7.916 -10.827 1.00 0.25 H new ATOM 0 HG2 ARG A 102 -5.585 6.677 -10.659 1.00 0.29 H new ATOM 0 HG3 ARG A 102 -6.379 5.548 -9.579 1.00 0.29 H new ATOM 0 HD2 ARG A 102 -6.381 4.738 -11.923 1.00 0.38 H new ATOM 0 HD3 ARG A 102 -8.006 4.948 -11.304 1.00 0.38 H new ATOM 0 HE ARG A 102 -7.187 7.367 -12.611 1.00 0.97 H new ATOM 0 HH11 ARG A 102 -8.079 4.019 -13.296 1.00 1.25 H new ATOM 0 HH12 ARG A 102 -8.705 4.395 -14.905 1.00 1.25 H new ATOM 0 HH21 ARG A 102 -7.997 7.841 -14.674 1.00 2.09 H new ATOM 0 HH22 ARG A 102 -8.660 6.549 -15.681 1.00 2.09 H new ATOM 1111 N GLU A 103 -8.834 9.565 -8.170 1.00 0.24 N ATOM 1112 CA GLU A 103 -9.689 10.742 -8.053 1.00 0.24 C ATOM 1113 C GLU A 103 -9.275 11.626 -6.869 1.00 0.24 C ATOM 1114 O GLU A 103 -9.679 12.785 -6.778 1.00 0.25 O ATOM 1115 CB GLU A 103 -11.149 10.313 -7.891 1.00 0.26 C ATOM 1116 CG GLU A 103 -12.145 11.410 -8.228 1.00 0.34 C ATOM 1117 CD GLU A 103 -12.198 11.710 -9.714 1.00 1.36 C ATOM 1118 OE1 GLU A 103 -11.240 12.323 -10.230 1.00 2.32 O ATOM 1119 OE2 GLU A 103 -13.200 11.337 -10.360 1.00 1.82 O ATOM 0 H GLU A 103 -9.159 8.755 -7.641 1.00 0.24 H new ATOM 0 HA GLU A 103 -9.576 11.327 -8.966 1.00 0.24 H new ATOM 0 HB2 GLU A 103 -11.339 9.452 -8.531 1.00 0.26 H new ATOM 0 HB3 GLU A 103 -11.312 9.989 -6.863 1.00 0.26 H new ATOM 0 HG2 GLU A 103 -13.136 11.114 -7.885 1.00 0.34 H new ATOM 0 HG3 GLU A 103 -11.878 12.318 -7.687 1.00 0.34 H new ATOM 1126 N LEU A 104 -8.464 11.069 -5.968 1.00 0.24 N ATOM 1127 CA LEU A 104 -8.040 11.775 -4.755 1.00 0.25 C ATOM 1128 C LEU A 104 -6.786 12.638 -4.937 1.00 0.29 C ATOM 1129 O LEU A 104 -6.564 13.571 -4.165 1.00 0.31 O ATOM 1130 CB LEU A 104 -7.798 10.745 -3.651 1.00 0.24 C ATOM 1131 CG LEU A 104 -7.389 11.308 -2.295 1.00 0.24 C ATOM 1132 CD1 LEU A 104 -8.618 11.594 -1.462 1.00 0.29 C ATOM 1133 CD2 LEU A 104 -6.470 10.331 -1.580 1.00 0.24 C ATOM 0 H LEU A 104 -8.085 10.126 -6.055 1.00 0.24 H new ATOM 0 HA LEU A 104 -8.842 12.466 -4.494 1.00 0.25 H new ATOM 0 HB2 LEU A 104 -8.708 10.160 -3.520 1.00 0.24 H new ATOM 0 HB3 LEU A 104 -7.022 10.057 -3.986 1.00 0.24 H new ATOM 0 HG LEU A 104 -6.848 12.242 -2.444 1.00 0.24 H new ATOM 0 HD11 LEU A 104 -8.316 11.996 -0.495 1.00 0.29 H new ATOM 0 HD12 LEU A 104 -9.246 12.321 -1.977 1.00 0.29 H new ATOM 0 HD13 LEU A 104 -9.179 10.671 -1.313 1.00 0.29 H new ATOM 0 HD21 LEU A 104 -6.184 10.743 -0.612 1.00 0.24 H new ATOM 0 HD22 LEU A 104 -6.990 9.384 -1.432 1.00 0.24 H new ATOM 0 HD23 LEU A 104 -5.577 10.164 -2.182 1.00 0.24 H new ATOM 1145 N GLN A 105 -5.970 12.344 -5.942 1.00 0.40 N ATOM 1146 CA GLN A 105 -4.738 13.110 -6.157 1.00 0.51 C ATOM 1147 C GLN A 105 -5.029 14.588 -6.441 1.00 0.45 C ATOM 1148 O GLN A 105 -4.214 15.452 -6.122 1.00 1.00 O ATOM 1149 CB GLN A 105 -3.883 12.478 -7.270 1.00 0.86 C ATOM 1150 CG GLN A 105 -4.123 13.028 -8.670 1.00 0.44 C ATOM 1151 CD GLN A 105 -5.581 13.013 -9.089 1.00 1.31 C ATOM 1152 OE1 GLN A 105 -6.377 12.176 -8.446 1.00 2.04 O flip ATOM 1153 NE2 GLN A 105 -5.988 13.749 -9.983 1.00 1.38 N flip ATOM 0 H GLN A 105 -6.131 11.594 -6.614 1.00 0.40 H new ATOM 0 HA GLN A 105 -4.162 13.072 -5.232 1.00 0.51 H new ATOM 0 HB2 GLN A 105 -2.831 12.616 -7.019 1.00 0.86 H new ATOM 0 HB3 GLN A 105 -4.070 11.404 -7.283 1.00 0.86 H new ATOM 0 HG2 GLN A 105 -3.751 14.051 -8.718 1.00 0.44 H new ATOM 0 HG3 GLN A 105 -3.543 12.444 -9.385 1.00 0.44 H new ATOM 0 HE21 GLN A 105 -5.343 14.382 -10.456 1.00 1.38 H new ATOM 0 HE22 GLN A 105 -6.971 13.728 -10.253 1.00 1.38 H new ATOM 1342 N PHE A 121 -12.884 12.460 3.681 1.00 0.45 N ATOM 1343 CA PHE A 121 -12.302 11.274 3.068 1.00 0.36 C ATOM 1344 C PHE A 121 -12.762 10.003 3.777 1.00 0.31 C ATOM 1345 O PHE A 121 -11.963 9.098 4.020 1.00 0.33 O ATOM 1346 CB PHE A 121 -10.771 11.353 3.109 1.00 0.47 C ATOM 1347 CG PHE A 121 -10.153 12.480 2.309 1.00 0.37 C ATOM 1348 CD1 PHE A 121 -10.909 13.544 1.831 1.00 0.46 C ATOM 1349 CD2 PHE A 121 -8.793 12.465 2.041 1.00 0.27 C ATOM 1350 CE1 PHE A 121 -10.316 14.562 1.105 1.00 0.41 C ATOM 1351 CE2 PHE A 121 -8.198 13.479 1.320 1.00 0.26 C ATOM 1352 CZ PHE A 121 -8.958 14.527 0.851 1.00 0.31 C ATOM 0 HA PHE A 121 -12.640 11.236 2.032 1.00 0.36 H new ATOM 0 HB2 PHE A 121 -10.458 11.455 4.148 1.00 0.47 H new ATOM 0 HB3 PHE A 121 -10.366 10.409 2.745 1.00 0.47 H new ATOM 0 HD1 PHE A 121 -11.970 13.577 2.028 1.00 0.46 H new ATOM 0 HD2 PHE A 121 -8.189 11.646 2.403 1.00 0.27 H new ATOM 0 HE1 PHE A 121 -10.914 15.383 0.737 1.00 0.41 H new ATOM 0 HE2 PHE A 121 -7.136 13.451 1.123 1.00 0.26 H new ATOM 0 HZ PHE A 121 -8.493 15.321 0.285 1.00 0.31 H new ATOM 1362 N SER A 122 -14.047 9.935 4.111 1.00 0.32 N ATOM 1363 CA SER A 122 -14.583 8.759 4.783 1.00 0.34 C ATOM 1364 C SER A 122 -14.797 7.629 3.787 1.00 0.29 C ATOM 1365 O SER A 122 -14.995 6.478 4.174 1.00 0.32 O ATOM 1366 CB SER A 122 -15.893 9.079 5.497 1.00 0.42 C ATOM 1367 OG SER A 122 -15.736 10.165 6.393 1.00 1.26 O ATOM 0 H SER A 122 -14.729 10.672 3.930 1.00 0.32 H new ATOM 0 HA SER A 122 -13.855 8.443 5.530 1.00 0.34 H new ATOM 0 HB2 SER A 122 -16.662 9.319 4.762 1.00 0.42 H new ATOM 0 HB3 SER A 122 -16.237 8.200 6.043 1.00 0.42 H new ATOM 0 HG SER A 122 -16.591 10.350 6.836 1.00 1.26 H new ATOM 1373 N LYS A 123 -14.760 7.964 2.499 1.00 0.27 N ATOM 1374 CA LYS A 123 -14.930 6.965 1.457 1.00 0.29 C ATOM 1375 C LYS A 123 -13.679 6.112 1.382 1.00 0.24 C ATOM 1376 O LYS A 123 -13.750 4.890 1.252 1.00 0.27 O ATOM 1377 CB LYS A 123 -15.201 7.624 0.105 1.00 0.37 C ATOM 1378 CG LYS A 123 -16.493 8.425 0.066 1.00 0.42 C ATOM 1379 CD LYS A 123 -16.297 9.863 0.526 1.00 0.91 C ATOM 1380 CE LYS A 123 -15.337 10.612 -0.381 1.00 1.81 C ATOM 1381 NZ LYS A 123 -15.884 10.780 -1.755 1.00 2.58 N ATOM 0 H LYS A 123 -14.615 8.914 2.158 1.00 0.27 H new ATOM 0 HA LYS A 123 -15.789 6.340 1.701 1.00 0.29 H new ATOM 0 HB2 LYS A 123 -14.368 8.282 -0.143 1.00 0.37 H new ATOM 0 HB3 LYS A 123 -15.238 6.853 -0.665 1.00 0.37 H new ATOM 0 HG2 LYS A 123 -16.889 8.422 -0.950 1.00 0.42 H new ATOM 0 HG3 LYS A 123 -17.237 7.942 0.700 1.00 0.42 H new ATOM 0 HD2 LYS A 123 -17.259 10.375 0.542 1.00 0.91 H new ATOM 0 HD3 LYS A 123 -15.915 9.871 1.547 1.00 0.91 H new ATOM 0 HE2 LYS A 123 -15.124 11.592 0.047 1.00 1.81 H new ATOM 0 HE3 LYS A 123 -14.391 10.073 -0.431 1.00 1.81 H new ATOM 0 HZ1 LYS A 123 -15.281 11.436 -2.291 1.00 2.58 H new ATOM 0 HZ2 LYS A 123 -15.905 9.858 -2.236 1.00 2.58 H new ATOM 0 HZ3 LYS A 123 -16.849 11.163 -1.700 1.00 2.58 H new ATOM 1395 N LEU A 124 -12.530 6.772 1.465 1.00 0.22 N ATOM 1396 CA LEU A 124 -11.256 6.087 1.447 1.00 0.20 C ATOM 1397 C LEU A 124 -11.162 5.206 2.687 1.00 0.16 C ATOM 1398 O LEU A 124 -10.441 4.208 2.716 1.00 0.16 O ATOM 1399 CB LEU A 124 -10.120 7.121 1.413 1.00 0.25 C ATOM 1400 CG LEU A 124 -8.713 6.589 1.111 1.00 0.24 C ATOM 1401 CD1 LEU A 124 -8.769 5.250 0.400 1.00 0.26 C ATOM 1402 CD2 LEU A 124 -7.945 7.592 0.265 1.00 0.25 C ATOM 0 H LEU A 124 -12.461 7.786 1.546 1.00 0.22 H new ATOM 0 HA LEU A 124 -11.168 5.460 0.560 1.00 0.20 H new ATOM 0 HB2 LEU A 124 -10.367 7.874 0.664 1.00 0.25 H new ATOM 0 HB3 LEU A 124 -10.092 7.628 2.378 1.00 0.25 H new ATOM 0 HG LEU A 124 -8.198 6.447 2.061 1.00 0.24 H new ATOM 0 HD11 LEU A 124 -7.756 4.901 0.201 1.00 0.26 H new ATOM 0 HD12 LEU A 124 -9.285 4.525 1.029 1.00 0.26 H new ATOM 0 HD13 LEU A 124 -9.307 5.360 -0.542 1.00 0.26 H new ATOM 0 HD21 LEU A 124 -6.948 7.204 0.057 1.00 0.25 H new ATOM 0 HD22 LEU A 124 -8.474 7.757 -0.674 1.00 0.25 H new ATOM 0 HD23 LEU A 124 -7.862 8.535 0.805 1.00 0.25 H new ATOM 1414 N LEU A 125 -11.930 5.588 3.704 1.00 0.18 N ATOM 1415 CA LEU A 125 -11.976 4.853 4.957 1.00 0.22 C ATOM 1416 C LEU A 125 -12.760 3.558 4.776 1.00 0.24 C ATOM 1417 O LEU A 125 -12.310 2.484 5.179 1.00 0.26 O ATOM 1418 CB LEU A 125 -12.626 5.714 6.046 1.00 0.28 C ATOM 1419 CG LEU A 125 -11.876 5.746 7.378 1.00 0.32 C ATOM 1420 CD1 LEU A 125 -10.574 6.518 7.236 1.00 1.23 C ATOM 1421 CD2 LEU A 125 -12.744 6.359 8.465 1.00 1.30 C ATOM 0 H LEU A 125 -12.533 6.411 3.680 1.00 0.18 H new ATOM 0 HA LEU A 125 -10.958 4.608 5.261 1.00 0.22 H new ATOM 0 HB2 LEU A 125 -12.719 6.734 5.674 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -13.637 5.346 6.224 1.00 0.28 H new ATOM 0 HG LEU A 125 -11.640 4.721 7.665 1.00 0.32 H new ATOM 0 HD11 LEU A 125 -10.053 6.531 8.193 1.00 1.23 H new ATOM 0 HD12 LEU A 125 -9.945 6.037 6.487 1.00 1.23 H new ATOM 0 HD13 LEU A 125 -10.789 7.541 6.926 1.00 1.23 H new ATOM 0 HD21 LEU A 125 -12.193 6.373 9.406 1.00 1.30 H new ATOM 0 HD22 LEU A 125 -13.011 7.378 8.186 1.00 1.30 H new ATOM 0 HD23 LEU A 125 -13.651 5.766 8.584 1.00 1.30 H new ATOM 1433 N SER A 126 -13.939 3.669 4.166 1.00 0.28 N ATOM 1434 CA SER A 126 -14.784 2.506 3.919 1.00 0.34 C ATOM 1435 C SER A 126 -14.092 1.520 2.982 1.00 0.28 C ATOM 1436 O SER A 126 -14.253 0.307 3.111 1.00 0.29 O ATOM 1437 CB SER A 126 -16.123 2.943 3.322 1.00 0.44 C ATOM 1438 OG SER A 126 -16.970 1.829 3.093 1.00 1.40 O ATOM 0 H SER A 126 -14.329 4.552 3.835 1.00 0.28 H new ATOM 0 HA SER A 126 -14.964 2.008 4.872 1.00 0.34 H new ATOM 0 HB2 SER A 126 -16.614 3.644 3.997 1.00 0.44 H new ATOM 0 HB3 SER A 126 -15.951 3.471 2.384 1.00 0.44 H new ATOM 0 HG SER A 126 -17.819 2.136 2.713 1.00 1.40 H new ATOM 1444 N SER A 127 -13.323 2.055 2.039 1.00 0.25 N ATOM 1445 CA SER A 127 -12.603 1.231 1.072 1.00 0.25 C ATOM 1446 C SER A 127 -11.572 0.338 1.756 1.00 0.21 C ATOM 1447 O SER A 127 -11.513 -0.864 1.497 1.00 0.23 O ATOM 1448 CB SER A 127 -11.915 2.119 0.033 1.00 0.31 C ATOM 1449 OG SER A 127 -12.867 2.792 -0.774 1.00 1.09 O ATOM 0 H SER A 127 -13.182 3.058 1.923 1.00 0.25 H new ATOM 0 HA SER A 127 -13.330 0.588 0.576 1.00 0.25 H new ATOM 0 HB2 SER A 127 -11.280 2.848 0.536 1.00 0.31 H new ATOM 0 HB3 SER A 127 -11.265 1.511 -0.596 1.00 0.31 H new ATOM 0 HG SER A 127 -13.280 3.515 -0.258 1.00 1.09 H new ATOM 1455 N VAL A 128 -10.763 0.928 2.632 1.00 0.23 N ATOM 1456 CA VAL A 128 -9.725 0.182 3.342 1.00 0.30 C ATOM 1457 C VAL A 128 -10.321 -0.964 4.148 1.00 0.29 C ATOM 1458 O VAL A 128 -9.895 -2.113 4.023 1.00 0.32 O ATOM 1459 CB VAL A 128 -8.929 1.102 4.287 1.00 0.40 C ATOM 1460 CG1 VAL A 128 -7.998 0.289 5.175 1.00 0.51 C ATOM 1461 CG2 VAL A 128 -8.147 2.137 3.491 1.00 0.48 C ATOM 0 H VAL A 128 -10.805 1.919 2.868 1.00 0.23 H new ATOM 0 HA VAL A 128 -9.053 -0.226 2.587 1.00 0.30 H new ATOM 0 HB VAL A 128 -9.636 1.626 4.929 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -7.446 0.959 5.834 1.00 0.51 H new ATOM 0 HG12 VAL A 128 -8.584 -0.408 5.774 1.00 0.51 H new ATOM 0 HG13 VAL A 128 -7.296 -0.268 4.554 1.00 0.51 H new ATOM 0 HG21 VAL A 128 -7.591 2.778 4.175 1.00 0.48 H new ATOM 0 HG22 VAL A 128 -7.451 1.631 2.821 1.00 0.48 H new ATOM 0 HG23 VAL A 128 -8.838 2.744 2.906 1.00 0.48 H new ATOM 1471 N LYS A 129 -11.303 -0.638 4.977 1.00 0.28 N ATOM 1472 CA LYS A 129 -11.964 -1.628 5.816 1.00 0.32 C ATOM 1473 C LYS A 129 -12.421 -2.831 4.997 1.00 0.27 C ATOM 1474 O LYS A 129 -12.282 -3.977 5.424 1.00 0.27 O ATOM 1475 CB LYS A 129 -13.150 -0.990 6.518 1.00 0.38 C ATOM 1476 CG LYS A 129 -12.752 -0.207 7.753 1.00 0.50 C ATOM 1477 CD LYS A 129 -13.747 0.893 8.059 1.00 1.12 C ATOM 1478 CE LYS A 129 -13.255 1.776 9.191 1.00 1.77 C ATOM 1479 NZ LYS A 129 -14.034 3.041 9.292 1.00 2.69 N ATOM 0 H LYS A 129 -11.661 0.311 5.087 1.00 0.28 H new ATOM 0 HA LYS A 129 -11.249 -1.983 6.558 1.00 0.32 H new ATOM 0 HB2 LYS A 129 -13.663 -0.326 5.823 1.00 0.38 H new ATOM 0 HB3 LYS A 129 -13.860 -1.767 6.800 1.00 0.38 H new ATOM 0 HG2 LYS A 129 -12.681 -0.882 8.606 1.00 0.50 H new ATOM 0 HG3 LYS A 129 -11.763 0.227 7.607 1.00 0.50 H new ATOM 0 HD2 LYS A 129 -13.911 1.498 7.167 1.00 1.12 H new ATOM 0 HD3 LYS A 129 -14.708 0.454 8.327 1.00 1.12 H new ATOM 0 HE2 LYS A 129 -13.325 1.231 10.132 1.00 1.77 H new ATOM 0 HE3 LYS A 129 -12.202 2.010 9.036 1.00 1.77 H new ATOM 0 HZ1 LYS A 129 -13.665 3.614 10.078 1.00 2.69 H new ATOM 0 HZ2 LYS A 129 -13.947 3.574 8.403 1.00 2.69 H new ATOM 0 HZ3 LYS A 129 -15.035 2.819 9.466 1.00 2.69 H new ATOM 1493 N GLU A 130 -12.973 -2.554 3.822 1.00 0.23 N ATOM 1494 CA GLU A 130 -13.464 -3.600 2.931 1.00 0.21 C ATOM 1495 C GLU A 130 -12.369 -4.598 2.550 1.00 0.17 C ATOM 1496 O GLU A 130 -12.521 -5.801 2.768 1.00 0.16 O ATOM 1497 CB GLU A 130 -14.065 -2.976 1.669 1.00 0.21 C ATOM 1498 CG GLU A 130 -14.699 -3.989 0.729 1.00 0.35 C ATOM 1499 CD GLU A 130 -15.306 -3.343 -0.501 1.00 1.20 C ATOM 1500 OE1 GLU A 130 -16.463 -2.880 -0.419 1.00 1.71 O ATOM 1501 OE2 GLU A 130 -14.624 -3.301 -1.547 1.00 2.10 O ATOM 0 H GLU A 130 -13.093 -1.607 3.462 1.00 0.23 H new ATOM 0 HA GLU A 130 -14.234 -4.151 3.471 1.00 0.21 H new ATOM 0 HB2 GLU A 130 -14.817 -2.243 1.960 1.00 0.21 H new ATOM 0 HB3 GLU A 130 -13.284 -2.436 1.134 1.00 0.21 H new ATOM 0 HG2 GLU A 130 -13.946 -4.714 0.420 1.00 0.35 H new ATOM 0 HG3 GLU A 130 -15.472 -4.541 1.264 1.00 0.35 H new ATOM 1508 N ILE A 131 -11.266 -4.102 1.988 1.00 0.18 N ATOM 1509 CA ILE A 131 -10.169 -4.980 1.567 1.00 0.16 C ATOM 1510 C ILE A 131 -9.757 -5.923 2.693 1.00 0.17 C ATOM 1511 O ILE A 131 -9.744 -7.147 2.524 1.00 0.16 O ATOM 1512 CB ILE A 131 -8.921 -4.189 1.113 1.00 0.18 C ATOM 1513 CG1 ILE A 131 -9.257 -2.723 0.840 1.00 0.28 C ATOM 1514 CG2 ILE A 131 -8.326 -4.832 -0.131 1.00 0.29 C ATOM 1515 CD1 ILE A 131 -8.037 -1.828 0.814 1.00 0.27 C ATOM 0 H ILE A 131 -11.107 -3.109 1.814 1.00 0.18 H new ATOM 0 HA ILE A 131 -10.551 -5.550 0.720 1.00 0.16 H new ATOM 0 HB ILE A 131 -8.190 -4.217 1.921 1.00 0.18 H new ATOM 0 HG12 ILE A 131 -9.776 -2.647 -0.116 1.00 0.28 H new ATOM 0 HG13 ILE A 131 -9.946 -2.366 1.606 1.00 0.28 H new ATOM 0 HG21 ILE A 131 -7.447 -4.270 -0.446 1.00 0.29 H new ATOM 0 HG22 ILE A 131 -8.039 -5.860 0.092 1.00 0.29 H new ATOM 0 HG23 ILE A 131 -9.065 -4.828 -0.932 1.00 0.29 H new ATOM 0 HD11 ILE A 131 -8.343 -0.801 0.616 1.00 0.27 H new ATOM 0 HD12 ILE A 131 -7.530 -1.876 1.778 1.00 0.27 H new ATOM 0 HD13 ILE A 131 -7.358 -2.162 0.030 1.00 0.27 H new ATOM 1527 N SER A 132 -9.414 -5.347 3.840 1.00 0.20 N ATOM 1528 CA SER A 132 -9.020 -6.136 4.998 1.00 0.23 C ATOM 1529 C SER A 132 -10.094 -7.168 5.329 1.00 0.23 C ATOM 1530 O SER A 132 -9.798 -8.343 5.544 1.00 0.26 O ATOM 1531 CB SER A 132 -8.776 -5.223 6.200 1.00 0.27 C ATOM 1532 OG SER A 132 -8.468 -5.975 7.359 1.00 1.02 O ATOM 0 H SER A 132 -9.401 -4.338 3.991 1.00 0.20 H new ATOM 0 HA SER A 132 -8.095 -6.662 4.762 1.00 0.23 H new ATOM 0 HB2 SER A 132 -7.957 -4.538 5.980 1.00 0.27 H new ATOM 0 HB3 SER A 132 -9.661 -4.614 6.383 1.00 0.27 H new ATOM 0 HG SER A 132 -9.245 -6.514 7.615 1.00 1.02 H new ATOM 1538 N ASP A 133 -11.344 -6.717 5.370 1.00 0.23 N ATOM 1539 CA ASP A 133 -12.474 -7.590 5.668 1.00 0.26 C ATOM 1540 C ASP A 133 -12.549 -8.772 4.704 1.00 0.25 C ATOM 1541 O ASP A 133 -13.192 -9.778 4.998 1.00 0.36 O ATOM 1542 CB ASP A 133 -13.776 -6.795 5.600 1.00 0.28 C ATOM 1543 CG ASP A 133 -14.955 -7.562 6.163 1.00 0.33 C ATOM 1544 OD1 ASP A 133 -15.619 -8.283 5.388 1.00 0.37 O ATOM 1545 OD2 ASP A 133 -15.215 -7.443 7.378 1.00 0.37 O ATOM 0 H ASP A 133 -11.601 -5.745 5.199 1.00 0.23 H new ATOM 0 HA ASP A 133 -12.329 -7.984 6.674 1.00 0.26 H new ATOM 0 HB2 ASP A 133 -13.657 -5.862 6.151 1.00 0.28 H new ATOM 0 HB3 ASP A 133 -13.982 -6.529 4.563 1.00 0.28 H new ATOM 1550 N ILE A 134 -11.911 -8.644 3.549 1.00 0.16 N ATOM 1551 CA ILE A 134 -11.930 -9.717 2.554 1.00 0.16 C ATOM 1552 C ILE A 134 -10.788 -10.721 2.744 1.00 0.16 C ATOM 1553 O ILE A 134 -10.943 -11.897 2.422 1.00 0.26 O ATOM 1554 CB ILE A 134 -11.865 -9.159 1.114 1.00 0.17 C ATOM 1555 CG1 ILE A 134 -13.071 -8.262 0.829 1.00 0.17 C ATOM 1556 CG2 ILE A 134 -11.804 -10.301 0.106 1.00 0.22 C ATOM 1557 CD1 ILE A 134 -12.995 -7.551 -0.506 1.00 0.18 C ATOM 0 H ILE A 134 -11.378 -7.818 3.276 1.00 0.16 H new ATOM 0 HA ILE A 134 -12.876 -10.236 2.705 1.00 0.16 H new ATOM 0 HB ILE A 134 -10.960 -8.559 1.018 1.00 0.17 H new ATOM 0 HG12 ILE A 134 -13.978 -8.866 0.858 1.00 0.17 H new ATOM 0 HG13 ILE A 134 -13.157 -7.520 1.622 1.00 0.17 H new ATOM 0 HG21 ILE A 134 -11.759 -9.893 -0.904 1.00 0.22 H new ATOM 0 HG22 ILE A 134 -10.916 -10.905 0.294 1.00 0.22 H new ATOM 0 HG23 ILE A 134 -12.694 -10.923 0.206 1.00 0.22 H new ATOM 0 HD11 ILE A 134 -13.883 -6.933 -0.640 1.00 0.18 H new ATOM 0 HD12 ILE A 134 -12.107 -6.920 -0.532 1.00 0.18 H new ATOM 0 HD13 ILE A 134 -12.941 -8.287 -1.308 1.00 0.18 H new ATOM 1569 N VAL A 135 -9.650 -10.271 3.267 1.00 0.15 N ATOM 1570 CA VAL A 135 -8.495 -11.164 3.438 1.00 0.17 C ATOM 1571 C VAL A 135 -8.529 -12.019 4.714 1.00 0.19 C ATOM 1572 O VAL A 135 -8.344 -13.233 4.647 1.00 0.25 O ATOM 1573 CB VAL A 135 -7.155 -10.392 3.404 1.00 0.17 C ATOM 1574 CG1 VAL A 135 -7.280 -9.021 4.046 1.00 0.18 C ATOM 1575 CG2 VAL A 135 -6.067 -11.190 4.102 1.00 0.23 C ATOM 0 H VAL A 135 -9.498 -9.311 3.577 1.00 0.15 H new ATOM 0 HA VAL A 135 -8.567 -11.841 2.586 1.00 0.17 H new ATOM 0 HB VAL A 135 -6.886 -10.251 2.357 1.00 0.17 H new ATOM 0 HG11 VAL A 135 -6.318 -8.510 4.003 1.00 0.18 H new ATOM 0 HG12 VAL A 135 -8.027 -8.435 3.510 1.00 0.18 H new ATOM 0 HG13 VAL A 135 -7.585 -9.133 5.087 1.00 0.18 H new ATOM 0 HG21 VAL A 135 -5.130 -10.634 4.070 1.00 0.23 H new ATOM 0 HG22 VAL A 135 -6.351 -11.362 5.140 1.00 0.23 H new ATOM 0 HG23 VAL A 135 -5.938 -12.148 3.598 1.00 0.23 H new ATOM 1585 N GLN A 136 -8.749 -11.395 5.863 1.00 0.22 N ATOM 1586 CA GLN A 136 -8.733 -12.109 7.145 1.00 0.29 C ATOM 1587 C GLN A 136 -9.522 -13.418 7.119 1.00 0.42 C ATOM 1588 O GLN A 136 -8.933 -14.497 7.206 1.00 0.52 O ATOM 1589 CB GLN A 136 -9.242 -11.203 8.257 1.00 0.31 C ATOM 1590 CG GLN A 136 -8.303 -10.045 8.539 1.00 0.37 C ATOM 1591 CD GLN A 136 -8.979 -8.916 9.283 1.00 0.52 C ATOM 1592 OE1 GLN A 136 -9.548 -7.986 8.531 1.00 0.91 O flip ATOM 1593 NE2 GLN A 136 -8.991 -8.881 10.513 1.00 0.54 N flip ATOM 0 H GLN A 136 -8.941 -10.396 5.940 1.00 0.22 H new ATOM 0 HA GLN A 136 -7.695 -12.381 7.338 1.00 0.29 H new ATOM 0 HB2 GLN A 136 -10.222 -10.813 7.983 1.00 0.31 H new ATOM 0 HB3 GLN A 136 -9.374 -11.789 9.167 1.00 0.31 H new ATOM 0 HG2 GLN A 136 -7.455 -10.403 9.123 1.00 0.37 H new ATOM 0 HG3 GLN A 136 -7.905 -9.667 7.597 1.00 0.37 H new ATOM 0 HE21 GLN A 136 -8.538 -9.622 11.049 1.00 0.54 H new ATOM 0 HE22 GLN A 136 -9.454 -8.111 10.997 1.00 0.54 H new