USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 544 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 MET CE :methyl -154:sc= -0.372 (180deg=-0.761) USER MOD Set 1.2: A 63 CYS SG : rot 150:sc= -1.18 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 11:sc= -4.68! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -132:sc= -0.111 USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 35 SER OG : rot 150:sc= -0.706 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0.028) USER MOD Single : A 42 MET CE :methyl -165:sc= -0.0109 (180deg=-0.473) USER MOD Single : A 43 MET CE :methyl 159:sc= -0.0584 (180deg=-0.447) USER MOD Single : A 48 THR OG1 : rot 130:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0632 F(o=-1.3,f=-0.063) USER MOD Single : A 61 SER OG : rot 74:sc= 0.371 USER MOD Single : A 64 ASN : amide:sc= 0.00295 X(o=0.003,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 MET CE :methyl -124:sc= -2.1 (180deg=-3.63!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.183 -1.037 -3.184 1.00 0.00 N ATOM 24 CA ASP A 3 7.798 -1.038 -4.506 1.00 0.00 C ATOM 25 C ASP A 3 8.631 -2.299 -4.718 1.00 0.00 C ATOM 26 O ASP A 3 8.695 -2.833 -5.825 1.00 0.00 O ATOM 27 CB ASP A 3 8.675 0.203 -4.685 1.00 0.00 C ATOM 28 CG ASP A 3 7.863 1.483 -4.734 1.00 0.00 C ATOM 29 OD1 ASP A 3 7.059 1.640 -5.677 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.031 2.326 -3.829 1.00 0.00 O ATOM 0 HA ASP A 3 7.001 -1.021 -5.250 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.390 0.261 -3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.252 0.107 -5.604 1.00 0.00 H new ATOM 35 N MET A 4 9.267 -2.768 -3.650 1.00 0.00 N ATOM 36 CA MET A 4 10.096 -3.966 -3.719 1.00 0.00 C ATOM 37 C MET A 4 9.647 -4.997 -2.689 1.00 0.00 C ATOM 38 O MET A 4 9.806 -6.200 -2.893 1.00 0.00 O ATOM 39 CB MET A 4 11.566 -3.608 -3.494 1.00 0.00 C ATOM 40 CG MET A 4 11.843 -3.007 -2.125 1.00 0.00 C ATOM 41 SD MET A 4 11.618 -1.218 -2.095 1.00 0.00 S ATOM 42 CE MET A 4 12.984 -0.688 -3.126 1.00 0.00 C ATOM 0 H MET A 4 9.224 -2.337 -2.726 1.00 0.00 H new ATOM 0 HA MET A 4 9.984 -4.399 -4.713 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.173 -4.505 -3.617 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.881 -2.902 -4.262 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.181 -3.465 -1.390 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.864 -3.246 -1.827 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.273 0.327 -2.854 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.831 -1.358 -2.980 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.680 -0.710 -4.173 1.00 0.00 H new ATOM 52 N GLU A 5 9.088 -4.517 -1.582 1.00 0.00 N ATOM 53 CA GLU A 5 8.618 -5.399 -0.520 1.00 0.00 C ATOM 54 C GLU A 5 7.588 -6.391 -1.053 1.00 0.00 C ATOM 55 O GLU A 5 7.560 -7.553 -0.645 1.00 0.00 O ATOM 56 CB GLU A 5 8.012 -4.581 0.622 1.00 0.00 C ATOM 57 CG GLU A 5 8.886 -3.423 1.072 1.00 0.00 C ATOM 58 CD GLU A 5 8.481 -2.879 2.428 1.00 0.00 C ATOM 59 OE1 GLU A 5 8.696 -3.583 3.437 1.00 0.00 O ATOM 60 OE2 GLU A 5 7.949 -1.751 2.481 1.00 0.00 O ATOM 0 H GLU A 5 8.950 -3.523 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 5 9.474 -5.958 -0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.044 -4.193 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.829 -5.239 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.925 -3.751 1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.832 -2.623 0.333 1.00 0.00 H new ATOM 67 N ARG A 6 6.742 -5.924 -1.965 1.00 0.00 N ATOM 68 CA ARG A 6 5.709 -6.769 -2.553 1.00 0.00 C ATOM 69 C ARG A 6 6.319 -7.786 -3.513 1.00 0.00 C ATOM 70 O ARG A 6 5.639 -8.701 -3.978 1.00 0.00 O ATOM 71 CB ARG A 6 4.677 -5.912 -3.288 1.00 0.00 C ATOM 72 CG ARG A 6 3.430 -6.678 -3.699 1.00 0.00 C ATOM 73 CD ARG A 6 2.327 -5.740 -4.161 1.00 0.00 C ATOM 74 NE ARG A 6 1.254 -6.453 -4.849 1.00 0.00 N ATOM 75 CZ ARG A 6 1.316 -6.823 -6.123 1.00 0.00 C ATOM 76 NH1 ARG A 6 2.393 -6.547 -6.845 1.00 0.00 N ATOM 77 NH2 ARG A 6 0.298 -7.469 -6.678 1.00 0.00 N ATOM 0 H ARG A 6 6.751 -4.965 -2.313 1.00 0.00 H new ATOM 0 HA ARG A 6 5.214 -7.309 -1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.387 -5.079 -2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.140 -5.484 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.677 -7.374 -4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.074 -7.274 -2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.917 -5.211 -3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.747 -4.987 -4.828 1.00 0.00 H new ATOM 0 HE ARG A 6 0.411 -6.679 -4.322 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.177 -6.049 -6.422 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.438 -6.832 -7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.533 -7.682 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.347 -7.753 -7.657 1.00 0.00 H new ATOM 91 N ILE A 7 7.604 -7.619 -3.805 1.00 0.00 N ATOM 92 CA ILE A 7 8.305 -8.522 -4.709 1.00 0.00 C ATOM 93 C ILE A 7 9.138 -9.538 -3.935 1.00 0.00 C ATOM 94 O ILE A 7 8.939 -10.746 -4.061 1.00 0.00 O ATOM 95 CB ILE A 7 9.224 -7.751 -5.675 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.649 -6.363 -5.962 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.408 -8.532 -6.968 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.459 -5.568 -6.961 1.00 0.00 C ATOM 0 H ILE A 7 8.181 -6.867 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 7 7.542 -9.045 -5.286 1.00 0.00 H new ATOM 0 HB ILE A 7 10.200 -7.629 -5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.631 -6.471 -6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.588 -5.804 -5.028 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.060 -7.974 -7.640 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.857 -9.500 -6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.439 -8.682 -7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.992 -4.595 -7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.471 -5.429 -6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.498 -6.106 -7.908 1.00 0.00 H new ATOM 110 N PHE A 8 10.072 -9.039 -3.131 1.00 0.00 N ATOM 111 CA PHE A 8 10.935 -9.903 -2.334 1.00 0.00 C ATOM 112 C PHE A 8 10.113 -10.926 -1.556 1.00 0.00 C ATOM 113 O PHE A 8 10.309 -12.134 -1.696 1.00 0.00 O ATOM 114 CB PHE A 8 11.776 -9.067 -1.367 1.00 0.00 C ATOM 115 CG PHE A 8 12.436 -9.879 -0.289 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.377 -10.844 -0.609 1.00 0.00 C ATOM 117 CD2 PHE A 8 12.113 -9.678 1.043 1.00 0.00 C ATOM 118 CE1 PHE A 8 13.986 -11.593 0.381 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.719 -10.424 2.037 1.00 0.00 C ATOM 120 CZ PHE A 8 13.656 -11.383 1.705 1.00 0.00 C ATOM 0 H PHE A 8 10.250 -8.041 -3.014 1.00 0.00 H new ATOM 0 HA PHE A 8 11.598 -10.438 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.543 -8.536 -1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 8 11.140 -8.312 -0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.638 -11.013 -1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.380 -8.930 1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.719 -12.342 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.460 -10.257 3.072 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.130 -11.968 2.480 1.00 0.00 H new ATOM 130 N LYS A 9 9.191 -10.435 -0.735 1.00 0.00 N ATOM 131 CA LYS A 9 8.337 -11.304 0.066 1.00 0.00 C ATOM 132 C LYS A 9 7.630 -12.331 -0.813 1.00 0.00 C ATOM 133 O LYS A 9 7.303 -13.428 -0.360 1.00 0.00 O ATOM 134 CB LYS A 9 7.304 -10.474 0.831 1.00 0.00 C ATOM 135 CG LYS A 9 7.781 -10.018 2.198 1.00 0.00 C ATOM 136 CD LYS A 9 7.723 -11.146 3.214 1.00 0.00 C ATOM 137 CE LYS A 9 7.283 -10.644 4.581 1.00 0.00 C ATOM 138 NZ LYS A 9 5.800 -10.610 4.708 1.00 0.00 N ATOM 0 H LYS A 9 9.016 -9.438 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 9 8.968 -11.835 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.042 -9.599 0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.394 -11.062 0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.803 -9.647 2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.165 -9.187 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.031 -11.914 2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.704 -11.614 3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.699 -11.288 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.685 -9.645 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.540 -10.262 5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.404 -9.976 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.418 -11.568 4.574 1.00 0.00 H new ATOM 152 N ARG A 10 7.399 -11.969 -2.070 1.00 0.00 N ATOM 153 CA ARG A 10 6.732 -12.860 -3.012 1.00 0.00 C ATOM 154 C ARG A 10 7.670 -13.976 -3.462 1.00 0.00 C ATOM 155 O ARG A 10 7.299 -15.150 -3.462 1.00 0.00 O ATOM 156 CB ARG A 10 6.237 -12.074 -4.227 1.00 0.00 C ATOM 157 CG ARG A 10 4.722 -12.025 -4.345 1.00 0.00 C ATOM 158 CD ARG A 10 4.089 -11.381 -3.121 1.00 0.00 C ATOM 159 NE ARG A 10 2.720 -10.944 -3.379 1.00 0.00 N ATOM 160 CZ ARG A 10 1.865 -10.600 -2.422 1.00 0.00 C ATOM 161 NH1 ARG A 10 2.237 -10.642 -1.150 1.00 0.00 N ATOM 162 NH2 ARG A 10 0.636 -10.212 -2.737 1.00 0.00 N ATOM 0 H ARG A 10 7.664 -11.065 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 10 5.877 -13.309 -2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.622 -11.056 -4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.649 -12.522 -5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.443 -11.465 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.333 -13.036 -4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.093 -12.092 -2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.690 -10.526 -2.809 1.00 0.00 H new ATOM 0 HE ARG A 10 2.402 -10.900 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.181 -10.939 -0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.579 -10.377 -0.417 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.347 -10.178 -3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.020 -9.948 -2.002 1.00 0.00 H new ATOM 176 N PHE A 11 8.885 -13.602 -3.846 1.00 0.00 N ATOM 177 CA PHE A 11 9.876 -14.571 -4.300 1.00 0.00 C ATOM 178 C PHE A 11 10.555 -15.251 -3.115 1.00 0.00 C ATOM 179 O PHE A 11 11.431 -16.098 -3.290 1.00 0.00 O ATOM 180 CB PHE A 11 10.925 -13.886 -5.179 1.00 0.00 C ATOM 181 CG PHE A 11 10.380 -13.393 -6.489 1.00 0.00 C ATOM 182 CD1 PHE A 11 9.710 -14.254 -7.343 1.00 0.00 C ATOM 183 CD2 PHE A 11 10.537 -12.069 -6.866 1.00 0.00 C ATOM 184 CE1 PHE A 11 9.209 -13.804 -8.550 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.037 -11.613 -8.071 1.00 0.00 C ATOM 186 CZ PHE A 11 9.371 -12.481 -8.914 1.00 0.00 C ATOM 0 H PHE A 11 9.208 -12.634 -3.852 1.00 0.00 H new ATOM 0 HA PHE A 11 9.361 -15.332 -4.887 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.352 -13.045 -4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.738 -14.586 -5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.578 -15.288 -7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.056 -11.385 -6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.691 -14.486 -9.208 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.167 -10.579 -8.353 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.978 -12.126 -9.855 1.00 0.00 H new ATOM 196 N ASP A 12 10.144 -14.874 -1.909 1.00 0.00 N ATOM 197 CA ASP A 12 10.711 -15.447 -0.694 1.00 0.00 C ATOM 198 C ASP A 12 9.853 -16.601 -0.186 1.00 0.00 C ATOM 199 O ASP A 12 9.515 -16.664 0.996 1.00 0.00 O ATOM 200 CB ASP A 12 10.840 -14.375 0.389 1.00 0.00 C ATOM 201 CG ASP A 12 11.595 -14.870 1.607 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.835 -14.988 1.528 1.00 0.00 O ATOM 203 OD2 ASP A 12 10.945 -15.140 2.639 1.00 0.00 O ATOM 0 H ASP A 12 9.420 -14.174 -1.747 1.00 0.00 H new ATOM 0 HA ASP A 12 11.702 -15.833 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.352 -13.506 -0.024 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.846 -14.046 0.691 1.00 0.00 H new ATOM 208 N THR A 13 9.503 -17.513 -1.088 1.00 0.00 N ATOM 209 CA THR A 13 8.683 -18.664 -0.732 1.00 0.00 C ATOM 210 C THR A 13 9.534 -19.920 -0.578 1.00 0.00 C ATOM 211 O THR A 13 9.009 -21.027 -0.475 1.00 0.00 O ATOM 212 CB THR A 13 7.591 -18.924 -1.787 1.00 0.00 C ATOM 213 OG1 THR A 13 8.108 -18.674 -3.099 1.00 0.00 O ATOM 214 CG2 THR A 13 6.377 -18.042 -1.538 1.00 0.00 C ATOM 0 H THR A 13 9.775 -17.476 -2.070 1.00 0.00 H new ATOM 0 HA THR A 13 8.209 -18.431 0.221 1.00 0.00 H new ATOM 0 HB THR A 13 7.284 -19.967 -1.711 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.408 -18.843 -3.764 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.619 -18.243 -2.295 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.968 -18.256 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.672 -16.994 -1.590 1.00 0.00 H new ATOM 255 N GLY A 17 15.481 -17.883 3.478 1.00 0.00 N ATOM 256 CA GLY A 17 15.565 -16.443 3.634 1.00 0.00 C ATOM 257 C GLY A 17 16.126 -15.758 2.403 1.00 0.00 C ATOM 258 O GLY A 17 16.645 -14.645 2.485 1.00 0.00 O ATOM 0 HA2 GLY A 17 14.573 -16.045 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.193 -16.210 4.494 1.00 0.00 H new ATOM 262 N LYS A 18 16.023 -16.425 1.259 1.00 0.00 N ATOM 263 CA LYS A 18 16.524 -15.876 0.004 1.00 0.00 C ATOM 264 C LYS A 18 15.524 -16.100 -1.126 1.00 0.00 C ATOM 265 O LYS A 18 14.514 -16.780 -0.947 1.00 0.00 O ATOM 266 CB LYS A 18 17.868 -16.513 -0.355 1.00 0.00 C ATOM 267 CG LYS A 18 18.961 -16.244 0.664 1.00 0.00 C ATOM 268 CD LYS A 18 20.093 -17.251 0.547 1.00 0.00 C ATOM 269 CE LYS A 18 21.332 -16.786 1.297 1.00 0.00 C ATOM 270 NZ LYS A 18 22.300 -17.897 1.511 1.00 0.00 N ATOM 0 H LYS A 18 15.597 -17.348 1.175 1.00 0.00 H new ATOM 0 HA LYS A 18 16.662 -14.803 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 18 17.734 -17.590 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.189 -16.139 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.353 -15.237 0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.540 -16.283 1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 18 19.767 -18.214 0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.338 -17.404 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 18 21.816 -15.985 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 18 21.038 -16.369 2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.130 -17.540 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.847 -18.650 2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.600 -18.278 0.591 1.00 0.00 H new ATOM 284 N ILE A 19 15.814 -15.525 -2.288 1.00 0.00 N ATOM 285 CA ILE A 19 14.941 -15.664 -3.447 1.00 0.00 C ATOM 286 C ILE A 19 15.718 -16.156 -4.664 1.00 0.00 C ATOM 287 O ILE A 19 16.889 -15.821 -4.843 1.00 0.00 O ATOM 288 CB ILE A 19 14.251 -14.333 -3.796 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.282 -13.308 -4.273 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.485 -13.802 -2.593 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.689 -11.951 -4.579 1.00 0.00 C ATOM 0 H ILE A 19 16.646 -14.959 -2.452 1.00 0.00 H new ATOM 0 HA ILE A 19 14.180 -16.399 -3.183 1.00 0.00 H new ATOM 0 HB ILE A 19 13.542 -14.510 -4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.051 -13.195 -3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.775 -13.690 -5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 19 13.003 -12.860 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.728 -14.527 -2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.175 -13.638 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.478 -11.276 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 19 13.941 -12.050 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.221 -11.548 -3.681 1.00 0.00 H new ATOM 303 N SER A 20 15.057 -16.951 -5.499 1.00 0.00 N ATOM 304 CA SER A 20 15.686 -17.490 -6.700 1.00 0.00 C ATOM 305 C SER A 20 16.130 -16.367 -7.632 1.00 0.00 C ATOM 306 O SER A 20 15.332 -15.830 -8.401 1.00 0.00 O ATOM 307 CB SER A 20 14.719 -18.423 -7.431 1.00 0.00 C ATOM 308 OG SER A 20 14.449 -19.583 -6.663 1.00 0.00 O ATOM 0 H SER A 20 14.087 -17.236 -5.367 1.00 0.00 H new ATOM 0 HA SER A 20 16.567 -18.056 -6.397 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.788 -17.896 -7.639 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.144 -18.711 -8.393 1.00 0.00 H new ATOM 0 HG SER A 20 13.827 -20.162 -7.152 1.00 0.00 H new ATOM 314 N LEU A 21 17.409 -16.016 -7.557 1.00 0.00 N ATOM 315 CA LEU A 21 17.962 -14.957 -8.394 1.00 0.00 C ATOM 316 C LEU A 21 17.675 -15.222 -9.868 1.00 0.00 C ATOM 317 O LEU A 21 16.901 -14.503 -10.499 1.00 0.00 O ATOM 318 CB LEU A 21 19.470 -14.837 -8.169 1.00 0.00 C ATOM 319 CG LEU A 21 20.129 -13.562 -8.697 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.613 -13.787 -8.936 1.00 0.00 C ATOM 321 CD2 LEU A 21 19.445 -13.099 -9.976 1.00 0.00 C ATOM 0 H LEU A 21 18.083 -16.449 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 21 17.484 -14.019 -8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.664 -14.906 -7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.956 -15.693 -8.636 1.00 0.00 H new ATOM 0 HG LEU A 21 20.018 -12.781 -7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.064 -12.869 -9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 21 22.093 -14.071 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.747 -14.583 -9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.927 -12.191 -10.338 1.00 0.00 H new ATOM 0 HD22 LEU A 21 19.524 -13.878 -10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.393 -12.896 -9.773 1.00 0.00 H new ATOM 333 N SER A 22 18.304 -16.260 -10.411 1.00 0.00 N ATOM 334 CA SER A 22 18.118 -16.619 -11.812 1.00 0.00 C ATOM 335 C SER A 22 16.636 -16.638 -12.175 1.00 0.00 C ATOM 336 O SER A 22 16.272 -16.514 -13.344 1.00 0.00 O ATOM 337 CB SER A 22 18.742 -17.987 -12.096 1.00 0.00 C ATOM 338 OG SER A 22 18.939 -18.177 -13.487 1.00 0.00 O ATOM 0 H SER A 22 18.947 -16.867 -9.902 1.00 0.00 H new ATOM 0 HA SER A 22 18.615 -15.866 -12.424 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.696 -18.071 -11.575 1.00 0.00 H new ATOM 0 HB3 SER A 22 18.096 -18.773 -11.706 1.00 0.00 H new ATOM 0 HG SER A 22 19.340 -19.057 -13.643 1.00 0.00 H new ATOM 344 N GLU A 23 15.787 -16.793 -11.165 1.00 0.00 N ATOM 345 CA GLU A 23 14.345 -16.829 -11.378 1.00 0.00 C ATOM 346 C GLU A 23 13.765 -15.418 -11.414 1.00 0.00 C ATOM 347 O GLU A 23 12.780 -15.157 -12.106 1.00 0.00 O ATOM 348 CB GLU A 23 13.664 -17.644 -10.276 1.00 0.00 C ATOM 349 CG GLU A 23 12.242 -18.057 -10.616 1.00 0.00 C ATOM 350 CD GLU A 23 12.188 -19.272 -11.522 1.00 0.00 C ATOM 351 OE1 GLU A 23 13.126 -19.454 -12.325 1.00 0.00 O ATOM 352 OE2 GLU A 23 11.207 -20.040 -11.429 1.00 0.00 O ATOM 0 H GLU A 23 16.072 -16.896 -10.191 1.00 0.00 H new ATOM 0 HA GLU A 23 14.158 -17.305 -12.340 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.256 -18.538 -10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.654 -17.059 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.700 -18.271 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.732 -17.224 -11.100 1.00 0.00 H new ATOM 359 N LEU A 24 14.382 -14.512 -10.664 1.00 0.00 N ATOM 360 CA LEU A 24 13.928 -13.127 -10.609 1.00 0.00 C ATOM 361 C LEU A 24 14.221 -12.405 -11.921 1.00 0.00 C ATOM 362 O LEU A 24 13.325 -11.832 -12.540 1.00 0.00 O ATOM 363 CB LEU A 24 14.604 -12.394 -9.449 1.00 0.00 C ATOM 364 CG LEU A 24 14.103 -10.977 -9.167 1.00 0.00 C ATOM 365 CD1 LEU A 24 14.294 -10.625 -7.700 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.819 -9.971 -10.056 1.00 0.00 C ATOM 0 H LEU A 24 15.198 -14.711 -10.085 1.00 0.00 H new ATOM 0 HA LEU A 24 12.850 -13.130 -10.450 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.476 -12.990 -8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.674 -12.346 -9.650 1.00 0.00 H new ATOM 0 HG LEU A 24 13.037 -10.938 -9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.932 -9.613 -7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.735 -11.327 -7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.353 -10.682 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.450 -8.968 -9.841 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.891 -10.012 -9.862 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.630 -10.211 -11.102 1.00 0.00 H new ATOM 378 N THR A 25 15.482 -12.439 -12.340 1.00 0.00 N ATOM 379 CA THR A 25 15.893 -11.790 -13.579 1.00 0.00 C ATOM 380 C THR A 25 15.034 -12.248 -14.751 1.00 0.00 C ATOM 381 O THR A 25 14.877 -11.527 -15.737 1.00 0.00 O ATOM 382 CB THR A 25 17.373 -12.075 -13.898 1.00 0.00 C ATOM 383 OG1 THR A 25 17.750 -11.410 -15.109 1.00 0.00 O ATOM 384 CG2 THR A 25 17.618 -13.570 -14.038 1.00 0.00 C ATOM 0 H THR A 25 16.236 -12.909 -11.840 1.00 0.00 H new ATOM 0 HA THR A 25 15.761 -10.718 -13.433 1.00 0.00 H new ATOM 0 HB THR A 25 17.978 -11.699 -13.073 1.00 0.00 H new ATOM 0 HG1 THR A 25 17.040 -10.790 -15.376 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.670 -13.747 -14.263 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.357 -14.070 -13.105 1.00 0.00 H new ATOM 0 HG23 THR A 25 17.003 -13.965 -14.846 1.00 0.00 H new ATOM 392 N ASP A 26 14.480 -13.450 -14.638 1.00 0.00 N ATOM 393 CA ASP A 26 13.634 -14.004 -15.689 1.00 0.00 C ATOM 394 C ASP A 26 12.159 -13.767 -15.381 1.00 0.00 C ATOM 395 O ASP A 26 11.314 -13.806 -16.275 1.00 0.00 O ATOM 396 CB ASP A 26 13.901 -15.501 -15.852 1.00 0.00 C ATOM 397 CG ASP A 26 13.487 -16.019 -17.215 1.00 0.00 C ATOM 398 OD1 ASP A 26 12.705 -15.327 -17.900 1.00 0.00 O ATOM 399 OD2 ASP A 26 13.946 -17.115 -17.597 1.00 0.00 O ATOM 0 H ASP A 26 14.601 -14.060 -13.829 1.00 0.00 H new ATOM 0 HA ASP A 26 13.877 -13.496 -16.623 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.963 -15.696 -15.700 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.362 -16.049 -15.079 1.00 0.00 H new ATOM 404 N ALA A 27 11.857 -13.524 -14.110 1.00 0.00 N ATOM 405 CA ALA A 27 10.485 -13.280 -13.685 1.00 0.00 C ATOM 406 C ALA A 27 10.185 -11.786 -13.624 1.00 0.00 C ATOM 407 O ALA A 27 9.287 -11.351 -12.902 1.00 0.00 O ATOM 408 CB ALA A 27 10.229 -13.927 -12.331 1.00 0.00 C ATOM 0 H ALA A 27 12.544 -13.491 -13.357 1.00 0.00 H new ATOM 0 HA ALA A 27 9.818 -13.727 -14.422 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.200 -13.737 -12.026 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.393 -15.002 -12.405 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.911 -13.506 -11.592 1.00 0.00 H new ATOM 414 N LEU A 28 10.943 -11.005 -14.385 1.00 0.00 N ATOM 415 CA LEU A 28 10.760 -9.558 -14.418 1.00 0.00 C ATOM 416 C LEU A 28 10.066 -9.126 -15.706 1.00 0.00 C ATOM 417 O LEU A 28 9.075 -8.395 -15.674 1.00 0.00 O ATOM 418 CB LEU A 28 12.109 -8.850 -14.290 1.00 0.00 C ATOM 419 CG LEU A 28 12.589 -8.571 -12.866 1.00 0.00 C ATOM 420 CD1 LEU A 28 14.105 -8.651 -12.787 1.00 0.00 C ATOM 421 CD2 LEU A 28 12.100 -7.208 -12.396 1.00 0.00 C ATOM 0 H LEU A 28 11.690 -11.349 -14.988 1.00 0.00 H new ATOM 0 HA LEU A 28 10.128 -9.277 -13.575 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.863 -9.455 -14.794 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.051 -7.902 -14.825 1.00 0.00 H new ATOM 0 HG LEU A 28 12.171 -9.332 -12.207 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.427 -8.449 -11.765 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.433 -9.648 -13.081 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.544 -7.913 -13.458 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.451 -7.026 -11.380 1.00 0.00 H new ATOM 0 HD22 LEU A 28 12.488 -6.434 -13.058 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.010 -7.187 -12.413 1.00 0.00 H new ATOM 433 N ARG A 29 10.591 -9.584 -16.837 1.00 0.00 N ATOM 434 CA ARG A 29 10.021 -9.246 -18.136 1.00 0.00 C ATOM 435 C ARG A 29 8.543 -9.621 -18.196 1.00 0.00 C ATOM 436 O ARG A 29 7.788 -9.087 -19.009 1.00 0.00 O ATOM 437 CB ARG A 29 10.785 -9.960 -19.253 1.00 0.00 C ATOM 438 CG ARG A 29 11.182 -9.046 -20.400 1.00 0.00 C ATOM 439 CD ARG A 29 12.106 -9.751 -21.380 1.00 0.00 C ATOM 440 NE ARG A 29 12.057 -9.149 -22.710 1.00 0.00 N ATOM 441 CZ ARG A 29 12.660 -9.667 -23.774 1.00 0.00 C ATOM 442 NH1 ARG A 29 13.356 -10.790 -23.665 1.00 0.00 N ATOM 443 NH2 ARG A 29 12.569 -9.060 -24.951 1.00 0.00 N ATOM 0 H ARG A 29 11.410 -10.190 -16.881 1.00 0.00 H new ATOM 0 HA ARG A 29 10.110 -8.169 -18.275 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.683 -10.415 -18.834 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.169 -10.771 -19.642 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.288 -8.706 -20.922 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.677 -8.159 -20.005 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.128 -9.715 -21.004 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.828 -10.803 -21.448 1.00 0.00 H new ATOM 0 HE ARG A 29 11.531 -8.283 -22.828 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.430 -11.259 -22.762 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.818 -11.185 -24.484 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.036 -8.195 -25.039 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.032 -9.459 -25.768 1.00 0.00 H new ATOM 457 N THR A 30 8.136 -10.543 -17.329 1.00 0.00 N ATOM 458 CA THR A 30 6.750 -10.991 -17.284 1.00 0.00 C ATOM 459 C THR A 30 5.869 -9.979 -16.559 1.00 0.00 C ATOM 460 O THR A 30 4.747 -9.701 -16.983 1.00 0.00 O ATOM 461 CB THR A 30 6.623 -12.358 -16.586 1.00 0.00 C ATOM 462 OG1 THR A 30 5.253 -12.773 -16.566 1.00 0.00 O ATOM 463 CG2 THR A 30 7.158 -12.291 -15.163 1.00 0.00 C ATOM 0 H THR A 30 8.747 -10.994 -16.648 1.00 0.00 H new ATOM 0 HA THR A 30 6.415 -11.087 -18.317 1.00 0.00 H new ATOM 0 HB THR A 30 7.214 -13.083 -17.146 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.181 -13.644 -16.122 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.058 -13.268 -14.690 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.209 -12.004 -15.183 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.591 -11.553 -14.595 1.00 0.00 H new ATOM 471 N LEU A 31 6.384 -9.431 -15.464 1.00 0.00 N ATOM 472 CA LEU A 31 5.644 -8.449 -14.680 1.00 0.00 C ATOM 473 C LEU A 31 5.494 -7.140 -15.448 1.00 0.00 C ATOM 474 O LEU A 31 4.589 -6.350 -15.179 1.00 0.00 O ATOM 475 CB LEU A 31 6.351 -8.193 -13.348 1.00 0.00 C ATOM 476 CG LEU A 31 6.891 -9.428 -12.626 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.764 -9.021 -11.450 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.747 -10.317 -12.161 1.00 0.00 C ATOM 0 H LEU A 31 7.311 -9.650 -15.099 1.00 0.00 H new ATOM 0 HA LEU A 31 4.650 -8.851 -14.486 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.181 -7.509 -13.526 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.655 -7.683 -12.682 1.00 0.00 H new ATOM 0 HG LEU A 31 7.504 -9.995 -13.327 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.139 -9.914 -10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.604 -8.427 -11.809 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.176 -8.431 -10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.150 -11.191 -11.649 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.107 -9.759 -11.477 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.163 -10.639 -13.023 1.00 0.00 H new ATOM 490 N GLY A 32 6.386 -6.917 -16.408 1.00 0.00 N ATOM 491 CA GLY A 32 6.334 -5.704 -17.203 1.00 0.00 C ATOM 492 C GLY A 32 7.236 -4.614 -16.657 1.00 0.00 C ATOM 493 O GLY A 32 6.767 -3.536 -16.292 1.00 0.00 O ATOM 0 H GLY A 32 7.144 -7.555 -16.650 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.625 -5.932 -18.228 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.307 -5.339 -17.237 1.00 0.00 H new ATOM 497 N SER A 33 8.534 -4.896 -16.601 1.00 0.00 N ATOM 498 CA SER A 33 9.503 -3.933 -16.090 1.00 0.00 C ATOM 499 C SER A 33 10.574 -3.635 -17.135 1.00 0.00 C ATOM 500 O SER A 33 11.388 -2.726 -16.966 1.00 0.00 O ATOM 501 CB SER A 33 10.155 -4.464 -14.812 1.00 0.00 C ATOM 502 OG SER A 33 10.235 -3.452 -13.822 1.00 0.00 O ATOM 0 H SER A 33 8.939 -5.782 -16.903 1.00 0.00 H new ATOM 0 HA SER A 33 8.974 -3.007 -15.862 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.579 -5.307 -14.429 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.154 -4.837 -15.037 1.00 0.00 H new ATOM 0 HG SER A 33 11.139 -3.435 -13.444 1.00 0.00 H new ATOM 508 N THR A 34 10.569 -4.408 -18.216 1.00 0.00 N ATOM 509 CA THR A 34 11.539 -4.229 -19.289 1.00 0.00 C ATOM 510 C THR A 34 12.965 -4.265 -18.751 1.00 0.00 C ATOM 511 O THR A 34 13.887 -3.739 -19.375 1.00 0.00 O ATOM 512 CB THR A 34 11.316 -2.899 -20.032 1.00 0.00 C ATOM 513 OG1 THR A 34 10.370 -2.092 -19.320 1.00 0.00 O ATOM 514 CG2 THR A 34 10.815 -3.147 -21.447 1.00 0.00 C ATOM 0 H THR A 34 9.903 -5.165 -18.372 1.00 0.00 H new ATOM 0 HA THR A 34 11.395 -5.054 -19.987 1.00 0.00 H new ATOM 0 HB THR A 34 12.270 -2.375 -20.088 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.235 -1.247 -19.798 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.665 -2.193 -21.952 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.550 -3.736 -21.995 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.871 -3.690 -21.409 1.00 0.00 H new ATOM 522 N SER A 35 13.140 -4.888 -17.590 1.00 0.00 N ATOM 523 CA SER A 35 14.454 -4.989 -16.967 1.00 0.00 C ATOM 524 C SER A 35 14.776 -6.437 -16.611 1.00 0.00 C ATOM 525 O SER A 35 14.997 -6.767 -15.446 1.00 0.00 O ATOM 526 CB SER A 35 14.515 -4.117 -15.711 1.00 0.00 C ATOM 527 OG SER A 35 14.836 -2.776 -16.037 1.00 0.00 O ATOM 0 H SER A 35 12.388 -5.330 -17.062 1.00 0.00 H new ATOM 0 HA SER A 35 15.196 -4.635 -17.682 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.555 -4.149 -15.195 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.261 -4.516 -15.023 1.00 0.00 H new ATOM 0 HG SER A 35 14.424 -2.173 -15.383 1.00 0.00 H new ATOM 533 N ALA A 36 14.801 -7.297 -17.624 1.00 0.00 N ATOM 534 CA ALA A 36 15.098 -8.710 -17.419 1.00 0.00 C ATOM 535 C ALA A 36 16.459 -9.075 -18.003 1.00 0.00 C ATOM 536 O ALA A 36 17.300 -9.663 -17.322 1.00 0.00 O ATOM 537 CB ALA A 36 14.008 -9.573 -18.037 1.00 0.00 C ATOM 0 H ALA A 36 14.619 -7.040 -18.594 1.00 0.00 H new ATOM 0 HA ALA A 36 15.130 -8.897 -16.346 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.242 -10.625 -17.877 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.051 -9.339 -17.571 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.949 -9.373 -19.107 1.00 0.00 H new ATOM 543 N ASP A 37 16.669 -8.724 -19.267 1.00 0.00 N ATOM 544 CA ASP A 37 17.928 -9.015 -19.942 1.00 0.00 C ATOM 545 C ASP A 37 19.023 -8.055 -19.487 1.00 0.00 C ATOM 546 O ASP A 37 20.170 -8.158 -19.919 1.00 0.00 O ATOM 547 CB ASP A 37 17.751 -8.923 -21.459 1.00 0.00 C ATOM 548 CG ASP A 37 17.316 -10.240 -22.071 1.00 0.00 C ATOM 549 OD1 ASP A 37 16.937 -11.154 -21.308 1.00 0.00 O ATOM 550 OD2 ASP A 37 17.354 -10.357 -23.314 1.00 0.00 O ATOM 0 H ASP A 37 15.983 -8.238 -19.845 1.00 0.00 H new ATOM 0 HA ASP A 37 18.227 -10.030 -19.679 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.011 -8.156 -21.690 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.690 -8.607 -21.913 1.00 0.00 H new ATOM 555 N GLU A 38 18.659 -7.122 -18.612 1.00 0.00 N ATOM 556 CA GLU A 38 19.611 -6.143 -18.100 1.00 0.00 C ATOM 557 C GLU A 38 20.366 -6.697 -16.895 1.00 0.00 C ATOM 558 O GLU A 38 21.491 -6.285 -16.610 1.00 0.00 O ATOM 559 CB GLU A 38 18.889 -4.851 -17.714 1.00 0.00 C ATOM 560 CG GLU A 38 17.979 -5.000 -16.506 1.00 0.00 C ATOM 561 CD GLU A 38 17.567 -3.664 -15.918 1.00 0.00 C ATOM 562 OE1 GLU A 38 17.370 -2.709 -16.698 1.00 0.00 O ATOM 563 OE2 GLU A 38 17.442 -3.574 -14.679 1.00 0.00 O ATOM 0 H GLU A 38 17.713 -7.024 -18.244 1.00 0.00 H new ATOM 0 HA GLU A 38 20.331 -5.926 -18.889 1.00 0.00 H new ATOM 0 HB2 GLU A 38 19.630 -4.079 -17.507 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.298 -4.507 -18.563 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.087 -5.557 -16.794 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.488 -5.587 -15.742 1.00 0.00 H new ATOM 570 N VAL A 39 19.739 -7.634 -16.191 1.00 0.00 N ATOM 571 CA VAL A 39 20.350 -8.245 -15.017 1.00 0.00 C ATOM 572 C VAL A 39 20.683 -9.711 -15.271 1.00 0.00 C ATOM 573 O VAL A 39 21.536 -10.289 -14.598 1.00 0.00 O ATOM 574 CB VAL A 39 19.428 -8.145 -13.787 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.054 -8.718 -14.101 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.051 -8.855 -12.595 1.00 0.00 C ATOM 0 H VAL A 39 18.808 -7.986 -16.413 1.00 0.00 H new ATOM 0 HA VAL A 39 21.270 -7.695 -14.817 1.00 0.00 H new ATOM 0 HB VAL A 39 19.306 -7.093 -13.531 1.00 0.00 H new ATOM 0 HG11 VAL A 39 17.417 -8.639 -13.220 1.00 0.00 H new ATOM 0 HG12 VAL A 39 17.607 -8.161 -14.924 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.153 -9.766 -14.384 1.00 0.00 H new ATOM 0 HG21 VAL A 39 19.386 -8.774 -11.735 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.205 -9.907 -12.837 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.010 -8.394 -12.357 1.00 0.00 H new ATOM 586 N GLN A 40 20.003 -10.306 -16.246 1.00 0.00 N ATOM 587 CA GLN A 40 20.226 -11.705 -16.588 1.00 0.00 C ATOM 588 C GLN A 40 21.704 -11.971 -16.856 1.00 0.00 C ATOM 589 O GLN A 40 22.178 -13.099 -16.715 1.00 0.00 O ATOM 590 CB GLN A 40 19.397 -12.091 -17.814 1.00 0.00 C ATOM 591 CG GLN A 40 18.544 -13.332 -17.606 1.00 0.00 C ATOM 592 CD GLN A 40 18.507 -14.226 -18.830 1.00 0.00 C ATOM 593 OE1 GLN A 40 18.010 -13.832 -19.885 1.00 0.00 O ATOM 594 NE2 GLN A 40 19.033 -15.438 -18.695 1.00 0.00 N ATOM 0 H GLN A 40 19.294 -9.841 -16.812 1.00 0.00 H new ATOM 0 HA GLN A 40 19.913 -12.314 -15.740 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.750 -11.256 -18.082 1.00 0.00 H new ATOM 0 HB3 GLN A 40 20.067 -12.258 -18.657 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.933 -13.898 -16.759 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.528 -13.031 -17.349 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.435 -15.723 -17.802 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.035 -16.084 -19.485 1.00 0.00 H new ATOM 603 N ARG A 41 22.428 -10.925 -17.242 1.00 0.00 N ATOM 604 CA ARG A 41 23.852 -11.046 -17.530 1.00 0.00 C ATOM 605 C ARG A 41 24.668 -10.109 -16.644 1.00 0.00 C ATOM 606 O ARG A 41 25.849 -9.874 -16.895 1.00 0.00 O ATOM 607 CB ARG A 41 24.123 -10.737 -19.004 1.00 0.00 C ATOM 608 CG ARG A 41 23.731 -9.327 -19.413 1.00 0.00 C ATOM 609 CD ARG A 41 24.768 -8.705 -20.335 1.00 0.00 C ATOM 610 NE ARG A 41 24.493 -8.992 -21.740 1.00 0.00 N ATOM 611 CZ ARG A 41 25.233 -8.531 -22.743 1.00 0.00 C ATOM 612 NH1 ARG A 41 26.288 -7.767 -22.496 1.00 0.00 N ATOM 613 NH2 ARG A 41 24.918 -8.835 -23.995 1.00 0.00 N ATOM 0 H ARG A 41 22.052 -9.985 -17.362 1.00 0.00 H new ATOM 0 HA ARG A 41 24.154 -12.072 -17.319 1.00 0.00 H new ATOM 0 HB2 ARG A 41 25.184 -10.884 -19.208 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.578 -11.450 -19.622 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.763 -9.348 -19.914 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.616 -8.708 -18.523 1.00 0.00 H new ATOM 0 HD2 ARG A 41 24.788 -7.626 -20.183 1.00 0.00 H new ATOM 0 HD3 ARG A 41 25.757 -9.082 -20.075 1.00 0.00 H new ATOM 0 HE ARG A 41 23.689 -9.578 -21.964 1.00 0.00 H new ATOM 0 HH11 ARG A 41 26.533 -7.532 -21.534 1.00 0.00 H new ATOM 0 HH12 ARG A 41 26.854 -7.415 -23.268 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.107 -9.423 -24.189 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.486 -8.481 -24.764 1.00 0.00 H new ATOM 627 N MET A 42 24.028 -9.577 -15.608 1.00 0.00 N ATOM 628 CA MET A 42 24.695 -8.666 -14.685 1.00 0.00 C ATOM 629 C MET A 42 24.258 -8.932 -13.248 1.00 0.00 C ATOM 630 O MET A 42 24.407 -8.077 -12.376 1.00 0.00 O ATOM 631 CB MET A 42 24.394 -7.214 -15.061 1.00 0.00 C ATOM 632 CG MET A 42 24.942 -6.812 -16.420 1.00 0.00 C ATOM 633 SD MET A 42 25.399 -5.069 -16.498 1.00 0.00 S ATOM 634 CE MET A 42 23.993 -4.389 -17.375 1.00 0.00 C ATOM 0 H MET A 42 23.049 -9.761 -15.387 1.00 0.00 H new ATOM 0 HA MET A 42 25.769 -8.837 -14.757 1.00 0.00 H new ATOM 0 HB2 MET A 42 23.315 -7.062 -15.054 1.00 0.00 H new ATOM 0 HB3 MET A 42 24.813 -6.556 -14.300 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.815 -7.423 -16.650 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.195 -7.022 -17.185 1.00 0.00 H new ATOM 0 HE1 MET A 42 24.237 -3.390 -17.735 1.00 0.00 H new ATOM 0 HE2 MET A 42 23.748 -5.030 -18.222 1.00 0.00 H new ATOM 0 HE3 MET A 42 23.137 -4.333 -16.703 1.00 0.00 H new ATOM 644 N MET A 43 23.719 -10.123 -13.009 1.00 0.00 N ATOM 645 CA MET A 43 23.262 -10.501 -11.677 1.00 0.00 C ATOM 646 C MET A 43 24.438 -10.892 -10.789 1.00 0.00 C ATOM 647 O MET A 43 24.347 -10.839 -9.563 1.00 0.00 O ATOM 648 CB MET A 43 22.267 -11.661 -11.766 1.00 0.00 C ATOM 649 CG MET A 43 22.889 -12.958 -12.257 1.00 0.00 C ATOM 650 SD MET A 43 21.655 -14.199 -12.693 1.00 0.00 S ATOM 651 CE MET A 43 22.510 -15.703 -12.232 1.00 0.00 C ATOM 0 H MET A 43 23.588 -10.843 -13.720 1.00 0.00 H new ATOM 0 HA MET A 43 22.765 -9.639 -11.232 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.827 -11.828 -10.783 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.454 -11.381 -12.436 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.513 -12.751 -13.126 1.00 0.00 H new ATOM 0 HG3 MET A 43 23.544 -13.358 -11.483 1.00 0.00 H new ATOM 0 HE1 MET A 43 21.785 -16.503 -12.083 1.00 0.00 H new ATOM 0 HE2 MET A 43 23.204 -15.985 -13.024 1.00 0.00 H new ATOM 0 HE3 MET A 43 23.063 -15.538 -11.307 1.00 0.00 H new ATOM 661 N ALA A 44 25.543 -11.285 -11.416 1.00 0.00 N ATOM 662 CA ALA A 44 26.738 -11.682 -10.682 1.00 0.00 C ATOM 663 C ALA A 44 27.738 -10.535 -10.598 1.00 0.00 C ATOM 664 O ALA A 44 28.880 -10.725 -10.182 1.00 0.00 O ATOM 665 CB ALA A 44 27.379 -12.897 -11.336 1.00 0.00 C ATOM 0 H ALA A 44 25.635 -11.337 -12.431 1.00 0.00 H new ATOM 0 HA ALA A 44 26.440 -11.944 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 44 28.270 -13.183 -10.778 1.00 0.00 H new ATOM 0 HB2 ALA A 44 26.671 -13.725 -11.338 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.656 -12.654 -12.362 1.00 0.00 H new ATOM 671 N GLU A 45 27.301 -9.344 -10.998 1.00 0.00 N ATOM 672 CA GLU A 45 28.160 -8.167 -10.969 1.00 0.00 C ATOM 673 C GLU A 45 27.494 -7.026 -10.205 1.00 0.00 C ATOM 674 O GLU A 45 27.923 -5.875 -10.290 1.00 0.00 O ATOM 675 CB GLU A 45 28.494 -7.716 -12.393 1.00 0.00 C ATOM 676 CG GLU A 45 27.372 -6.942 -13.064 1.00 0.00 C ATOM 677 CD GLU A 45 27.727 -6.503 -14.472 1.00 0.00 C ATOM 678 OE1 GLU A 45 27.766 -7.369 -15.371 1.00 0.00 O ATOM 679 OE2 GLU A 45 27.965 -5.294 -14.674 1.00 0.00 O ATOM 0 H GLU A 45 26.358 -9.170 -11.345 1.00 0.00 H new ATOM 0 HA GLU A 45 29.083 -8.435 -10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 45 29.389 -7.094 -12.368 1.00 0.00 H new ATOM 0 HB3 GLU A 45 28.731 -8.592 -12.997 1.00 0.00 H new ATOM 0 HG2 GLU A 45 26.476 -7.562 -13.096 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.131 -6.065 -12.464 1.00 0.00 H new ATOM 686 N ILE A 46 26.444 -7.354 -9.461 1.00 0.00 N ATOM 687 CA ILE A 46 25.719 -6.358 -8.682 1.00 0.00 C ATOM 688 C ILE A 46 25.883 -6.604 -7.186 1.00 0.00 C ATOM 689 O ILE A 46 25.925 -5.663 -6.393 1.00 0.00 O ATOM 690 CB ILE A 46 24.218 -6.355 -9.029 1.00 0.00 C ATOM 691 CG1 ILE A 46 23.701 -7.789 -9.164 1.00 0.00 C ATOM 692 CG2 ILE A 46 23.973 -5.575 -10.311 1.00 0.00 C ATOM 693 CD1 ILE A 46 22.331 -7.996 -8.557 1.00 0.00 C ATOM 0 H ILE A 46 26.076 -8.302 -9.381 1.00 0.00 H new ATOM 0 HA ILE A 46 26.144 -5.387 -8.937 1.00 0.00 H new ATOM 0 HB ILE A 46 23.674 -5.867 -8.220 1.00 0.00 H new ATOM 0 HG12 ILE A 46 23.666 -8.056 -10.220 1.00 0.00 H new ATOM 0 HG13 ILE A 46 24.408 -8.468 -8.687 1.00 0.00 H new ATOM 0 HG21 ILE A 46 22.908 -5.582 -10.543 1.00 0.00 H new ATOM 0 HG22 ILE A 46 24.309 -4.546 -10.181 1.00 0.00 H new ATOM 0 HG23 ILE A 46 24.526 -6.037 -11.129 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.028 -9.035 -8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.365 -7.760 -7.493 1.00 0.00 H new ATOM 0 HD13 ILE A 46 21.612 -7.342 -9.051 1.00 0.00 H new ATOM 705 N ASP A 47 25.977 -7.874 -6.808 1.00 0.00 N ATOM 706 CA ASP A 47 26.140 -8.244 -5.407 1.00 0.00 C ATOM 707 C ASP A 47 26.352 -9.748 -5.263 1.00 0.00 C ATOM 708 O ASP A 47 27.294 -10.194 -4.607 1.00 0.00 O ATOM 709 CB ASP A 47 24.918 -7.809 -4.596 1.00 0.00 C ATOM 710 CG ASP A 47 25.172 -6.545 -3.798 1.00 0.00 C ATOM 711 OD1 ASP A 47 25.932 -6.611 -2.810 1.00 0.00 O ATOM 712 OD2 ASP A 47 24.611 -5.490 -4.162 1.00 0.00 O ATOM 0 H ASP A 47 25.943 -8.664 -7.452 1.00 0.00 H new ATOM 0 HA ASP A 47 27.022 -7.732 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.077 -7.646 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.632 -8.612 -3.917 1.00 0.00 H new ATOM 717 N THR A 48 25.468 -10.526 -5.880 1.00 0.00 N ATOM 718 CA THR A 48 25.556 -11.980 -5.820 1.00 0.00 C ATOM 719 C THR A 48 26.955 -12.462 -6.187 1.00 0.00 C ATOM 720 O THR A 48 27.472 -12.138 -7.256 1.00 0.00 O ATOM 721 CB THR A 48 24.533 -12.644 -6.760 1.00 0.00 C ATOM 722 OG1 THR A 48 23.205 -12.258 -6.390 1.00 0.00 O ATOM 723 CG2 THR A 48 24.658 -14.160 -6.711 1.00 0.00 C ATOM 0 H THR A 48 24.683 -10.173 -6.427 1.00 0.00 H new ATOM 0 HA THR A 48 25.334 -12.268 -4.792 1.00 0.00 H new ATOM 0 HB THR A 48 24.738 -12.311 -7.777 1.00 0.00 H new ATOM 0 HG1 THR A 48 22.723 -11.943 -7.183 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.926 -14.607 -7.383 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.661 -14.453 -7.021 1.00 0.00 H new ATOM 0 HG23 THR A 48 24.477 -14.507 -5.694 1.00 0.00 H new ATOM 731 N ASP A 49 27.562 -13.237 -5.295 1.00 0.00 N ATOM 732 CA ASP A 49 28.901 -13.765 -5.527 1.00 0.00 C ATOM 733 C ASP A 49 28.884 -14.830 -6.620 1.00 0.00 C ATOM 734 O ASP A 49 29.290 -14.577 -7.754 1.00 0.00 O ATOM 735 CB ASP A 49 29.471 -14.353 -4.235 1.00 0.00 C ATOM 736 CG ASP A 49 29.764 -13.289 -3.196 1.00 0.00 C ATOM 737 OD1 ASP A 49 30.622 -12.421 -3.460 1.00 0.00 O ATOM 738 OD2 ASP A 49 29.136 -13.324 -2.117 1.00 0.00 O ATOM 0 H ASP A 49 27.148 -13.513 -4.405 1.00 0.00 H new ATOM 0 HA ASP A 49 29.537 -12.943 -5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 49 28.764 -15.073 -3.824 1.00 0.00 H new ATOM 0 HB3 ASP A 49 30.387 -14.899 -4.461 1.00 0.00 H new ATOM 743 N GLY A 50 28.411 -16.022 -6.270 1.00 0.00 N ATOM 744 CA GLY A 50 28.351 -17.108 -7.232 1.00 0.00 C ATOM 745 C GLY A 50 27.466 -18.246 -6.767 1.00 0.00 C ATOM 746 O GLY A 50 27.802 -19.417 -6.946 1.00 0.00 O ATOM 0 H GLY A 50 28.068 -16.255 -5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 50 27.978 -16.727 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 50 29.358 -17.485 -7.413 1.00 0.00 H new ATOM 750 N ASP A 51 26.331 -17.904 -6.167 1.00 0.00 N ATOM 751 CA ASP A 51 25.394 -18.907 -5.673 1.00 0.00 C ATOM 752 C ASP A 51 24.100 -18.885 -6.480 1.00 0.00 C ATOM 753 O ASP A 51 23.543 -19.931 -6.808 1.00 0.00 O ATOM 754 CB ASP A 51 25.091 -18.668 -4.193 1.00 0.00 C ATOM 755 CG ASP A 51 26.304 -18.888 -3.311 1.00 0.00 C ATOM 756 OD1 ASP A 51 26.688 -20.059 -3.111 1.00 0.00 O ATOM 757 OD2 ASP A 51 26.870 -17.888 -2.821 1.00 0.00 O ATOM 0 H ASP A 51 26.037 -16.940 -6.011 1.00 0.00 H new ATOM 0 HA ASP A 51 25.856 -19.888 -5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 51 24.728 -17.649 -4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.290 -19.336 -3.877 1.00 0.00 H new ATOM 762 N GLY A 52 23.626 -17.683 -6.797 1.00 0.00 N ATOM 763 CA GLY A 52 22.400 -17.547 -7.562 1.00 0.00 C ATOM 764 C GLY A 52 21.211 -17.188 -6.693 1.00 0.00 C ATOM 765 O GLY A 52 20.064 -17.441 -7.062 1.00 0.00 O ATOM 0 H GLY A 52 24.069 -16.802 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.534 -16.779 -8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.196 -18.482 -8.084 1.00 0.00 H new ATOM 769 N PHE A 53 21.484 -16.599 -5.534 1.00 0.00 N ATOM 770 CA PHE A 53 20.427 -16.207 -4.608 1.00 0.00 C ATOM 771 C PHE A 53 20.796 -14.920 -3.875 1.00 0.00 C ATOM 772 O PHE A 53 21.917 -14.425 -3.994 1.00 0.00 O ATOM 773 CB PHE A 53 20.165 -17.325 -3.597 1.00 0.00 C ATOM 774 CG PHE A 53 19.674 -18.598 -4.226 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.568 -19.513 -4.758 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.319 -18.879 -4.285 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.120 -20.686 -5.337 1.00 0.00 C ATOM 778 CE2 PHE A 53 17.865 -20.050 -4.862 1.00 0.00 C ATOM 779 CZ PHE A 53 18.766 -20.954 -5.389 1.00 0.00 C ATOM 0 H PHE A 53 22.428 -16.382 -5.213 1.00 0.00 H new ATOM 0 HA PHE A 53 19.520 -16.029 -5.186 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.084 -17.531 -3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.430 -16.981 -2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.628 -19.308 -4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.609 -18.175 -3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 53 20.827 -21.391 -5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 53 16.806 -20.258 -4.901 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.413 -21.869 -5.841 1.00 0.00 H new ATOM 789 N ILE A 54 19.845 -14.384 -3.118 1.00 0.00 N ATOM 790 CA ILE A 54 20.069 -13.156 -2.366 1.00 0.00 C ATOM 791 C ILE A 54 19.148 -13.078 -1.153 1.00 0.00 C ATOM 792 O ILE A 54 17.928 -13.183 -1.280 1.00 0.00 O ATOM 793 CB ILE A 54 19.850 -11.910 -3.244 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.582 -12.069 -4.086 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.058 -11.672 -4.137 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.350 -10.928 -5.051 1.00 0.00 C ATOM 0 H ILE A 54 18.912 -14.781 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 54 21.106 -13.176 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 54 19.726 -11.043 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.643 -13.002 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.722 -12.152 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.888 -10.788 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 54 21.943 -11.520 -3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.210 -12.538 -4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.434 -11.108 -5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.257 -9.995 -4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.192 -10.858 -5.740 1.00 0.00 H new ATOM 808 N ASP A 55 19.740 -12.892 0.021 1.00 0.00 N ATOM 809 CA ASP A 55 18.972 -12.796 1.258 1.00 0.00 C ATOM 810 C ASP A 55 17.977 -11.642 1.192 1.00 0.00 C ATOM 811 O ASP A 55 16.765 -11.856 1.137 1.00 0.00 O ATOM 812 CB ASP A 55 19.910 -12.610 2.452 1.00 0.00 C ATOM 813 CG ASP A 55 19.167 -12.226 3.716 1.00 0.00 C ATOM 814 OD1 ASP A 55 18.469 -13.094 4.281 1.00 0.00 O ATOM 815 OD2 ASP A 55 19.283 -11.057 4.141 1.00 0.00 O ATOM 0 H ASP A 55 20.749 -12.805 0.143 1.00 0.00 H new ATOM 0 HA ASP A 55 18.415 -13.725 1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.462 -13.534 2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 55 20.644 -11.839 2.217 1.00 0.00 H new ATOM 820 N PHE A 56 18.496 -10.419 1.198 1.00 0.00 N ATOM 821 CA PHE A 56 17.652 -9.231 1.141 1.00 0.00 C ATOM 822 C PHE A 56 18.475 -7.997 0.780 1.00 0.00 C ATOM 823 O PHE A 56 18.138 -7.263 -0.148 1.00 0.00 O ATOM 824 CB PHE A 56 16.948 -9.014 2.481 1.00 0.00 C ATOM 825 CG PHE A 56 16.061 -7.802 2.504 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.278 -7.480 1.407 1.00 0.00 C ATOM 827 CD2 PHE A 56 16.010 -6.986 3.622 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.462 -6.364 1.425 1.00 0.00 C ATOM 829 CE2 PHE A 56 15.195 -5.869 3.646 1.00 0.00 C ATOM 830 CZ PHE A 56 14.420 -5.559 2.547 1.00 0.00 C ATOM 0 H PHE A 56 19.496 -10.224 1.242 1.00 0.00 H new ATOM 0 HA PHE A 56 16.901 -9.386 0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.351 -9.895 2.715 1.00 0.00 H new ATOM 0 HB3 PHE A 56 17.699 -8.920 3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.305 -8.108 0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 56 16.614 -7.225 4.485 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.858 -6.122 0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.165 -5.240 4.524 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.781 -4.688 2.564 1.00 0.00 H new ATOM 840 N ASN A 57 19.554 -7.775 1.523 1.00 0.00 N ATOM 841 CA ASN A 57 20.425 -6.630 1.284 1.00 0.00 C ATOM 842 C ASN A 57 20.921 -6.617 -0.159 1.00 0.00 C ATOM 843 O ASN A 57 20.890 -5.583 -0.826 1.00 0.00 O ATOM 844 CB ASN A 57 21.616 -6.659 2.244 1.00 0.00 C ATOM 845 CG ASN A 57 22.844 -5.987 1.662 1.00 0.00 C ATOM 846 OD1 ASN A 57 23.646 -6.752 0.931 1.00 0.00 O flip ATOM 847 ND2 ASN A 57 23.069 -4.794 1.868 1.00 0.00 N flip ATOM 0 H ASN A 57 19.846 -8.373 2.296 1.00 0.00 H new ATOM 0 HA ASN A 57 19.848 -5.722 1.460 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.341 -6.163 3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 57 21.854 -7.693 2.492 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.425 -4.244 2.436 1.00 0.00 H new ATOM 0 HD22 ASN A 57 23.900 -4.356 1.470 1.00 0.00 H new ATOM 854 N GLU A 58 21.379 -7.771 -0.633 1.00 0.00 N ATOM 855 CA GLU A 58 21.882 -7.891 -1.996 1.00 0.00 C ATOM 856 C GLU A 58 20.783 -7.588 -3.010 1.00 0.00 C ATOM 857 O GLU A 58 21.061 -7.249 -4.161 1.00 0.00 O ATOM 858 CB GLU A 58 22.439 -9.296 -2.236 1.00 0.00 C ATOM 859 CG GLU A 58 23.443 -9.741 -1.186 1.00 0.00 C ATOM 860 CD GLU A 58 24.838 -9.207 -1.451 1.00 0.00 C ATOM 861 OE1 GLU A 58 25.575 -9.840 -2.236 1.00 0.00 O ATOM 862 OE2 GLU A 58 25.192 -8.158 -0.874 1.00 0.00 O ATOM 0 H GLU A 58 21.412 -8.636 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 58 22.683 -7.163 -2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.612 -10.006 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.914 -9.327 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 58 23.110 -9.405 -0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 58 23.474 -10.830 -1.157 1.00 0.00 H new ATOM 869 N PHE A 59 19.534 -7.711 -2.575 1.00 0.00 N ATOM 870 CA PHE A 59 18.392 -7.452 -3.444 1.00 0.00 C ATOM 871 C PHE A 59 18.036 -5.968 -3.446 1.00 0.00 C ATOM 872 O PHE A 59 17.628 -5.418 -4.469 1.00 0.00 O ATOM 873 CB PHE A 59 17.184 -8.277 -2.995 1.00 0.00 C ATOM 874 CG PHE A 59 15.869 -7.708 -3.444 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.320 -8.074 -4.663 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.181 -6.807 -2.647 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.110 -7.551 -5.078 1.00 0.00 C ATOM 878 CE2 PHE A 59 13.970 -6.281 -3.057 1.00 0.00 C ATOM 879 CZ PHE A 59 13.434 -6.654 -4.274 1.00 0.00 C ATOM 0 H PHE A 59 19.286 -7.989 -1.625 1.00 0.00 H new ATOM 0 HA PHE A 59 18.666 -7.744 -4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.283 -9.291 -3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.187 -8.349 -1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.844 -8.776 -5.295 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.596 -6.512 -1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.693 -7.843 -6.030 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.444 -5.579 -2.427 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.488 -6.245 -4.596 1.00 0.00 H new ATOM 889 N ILE A 60 18.192 -5.327 -2.292 1.00 0.00 N ATOM 890 CA ILE A 60 17.887 -3.908 -2.160 1.00 0.00 C ATOM 891 C ILE A 60 19.010 -3.049 -2.734 1.00 0.00 C ATOM 892 O ILE A 60 18.768 -1.959 -3.252 1.00 0.00 O ATOM 893 CB ILE A 60 17.657 -3.516 -0.689 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.444 -4.258 -0.124 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.470 -2.011 -0.564 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.132 -3.831 -0.745 1.00 0.00 C ATOM 0 H ILE A 60 18.528 -5.768 -1.436 1.00 0.00 H new ATOM 0 HA ILE A 60 16.971 -3.728 -2.723 1.00 0.00 H new ATOM 0 HB ILE A 60 18.536 -3.802 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.579 -5.329 -0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.397 -4.095 0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.308 -1.750 0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.361 -1.502 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.606 -1.702 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.316 -4.398 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 60 14.975 -2.767 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.159 -4.020 -1.818 1.00 0.00 H new ATOM 908 N SER A 61 20.238 -3.549 -2.639 1.00 0.00 N ATOM 909 CA SER A 61 21.398 -2.828 -3.147 1.00 0.00 C ATOM 910 C SER A 61 21.177 -2.390 -4.591 1.00 0.00 C ATOM 911 O SER A 61 21.242 -1.202 -4.909 1.00 0.00 O ATOM 912 CB SER A 61 22.650 -3.702 -3.053 1.00 0.00 C ATOM 913 OG SER A 61 23.116 -3.785 -1.717 1.00 0.00 O ATOM 0 H SER A 61 20.455 -4.451 -2.215 1.00 0.00 H new ATOM 0 HA SER A 61 21.538 -1.938 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 61 22.428 -4.702 -3.427 1.00 0.00 H new ATOM 0 HB3 SER A 61 23.433 -3.290 -3.690 1.00 0.00 H new ATOM 0 HG SER A 61 22.522 -4.367 -1.199 1.00 0.00 H new ATOM 919 N PHE A 62 20.915 -3.359 -5.463 1.00 0.00 N ATOM 920 CA PHE A 62 20.685 -3.075 -6.875 1.00 0.00 C ATOM 921 C PHE A 62 19.291 -2.493 -7.092 1.00 0.00 C ATOM 922 O PHE A 62 19.042 -1.803 -8.081 1.00 0.00 O ATOM 923 CB PHE A 62 20.854 -4.348 -7.706 1.00 0.00 C ATOM 924 CG PHE A 62 19.575 -4.833 -8.328 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.609 -5.460 -7.557 1.00 0.00 C ATOM 926 CD2 PHE A 62 19.339 -4.662 -9.682 1.00 0.00 C ATOM 927 CE1 PHE A 62 17.431 -5.906 -8.125 1.00 0.00 C ATOM 928 CE2 PHE A 62 18.163 -5.106 -10.256 1.00 0.00 C ATOM 929 CZ PHE A 62 17.208 -5.730 -9.477 1.00 0.00 C ATOM 0 H PHE A 62 20.857 -4.347 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 62 21.421 -2.339 -7.197 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.585 -4.164 -8.494 1.00 0.00 H new ATOM 0 HB3 PHE A 62 21.261 -5.135 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.779 -5.602 -6.500 1.00 0.00 H new ATOM 0 HD2 PHE A 62 20.083 -4.176 -10.296 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.685 -6.392 -7.513 1.00 0.00 H new ATOM 0 HE2 PHE A 62 17.991 -4.965 -11.313 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.289 -6.080 -9.924 1.00 0.00 H new ATOM 939 N CYS A 63 18.386 -2.778 -6.162 1.00 0.00 N ATOM 940 CA CYS A 63 17.016 -2.285 -6.252 1.00 0.00 C ATOM 941 C CYS A 63 16.886 -0.919 -5.587 1.00 0.00 C ATOM 942 O CYS A 63 16.483 -0.817 -4.429 1.00 0.00 O ATOM 943 CB CYS A 63 16.051 -3.277 -5.601 1.00 0.00 C ATOM 944 SG CYS A 63 14.343 -2.692 -5.508 1.00 0.00 S ATOM 0 H CYS A 63 18.576 -3.348 -5.337 1.00 0.00 H new ATOM 0 HA CYS A 63 16.761 -2.181 -7.307 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.074 -4.211 -6.162 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.402 -3.502 -4.594 1.00 0.00 H new ATOM 0 HG CYS A 63 13.533 -3.707 -5.566 1.00 0.00 H new ATOM 950 N ASN A 64 17.231 0.129 -6.327 1.00 0.00 N ATOM 951 CA ASN A 64 17.154 1.490 -5.808 1.00 0.00 C ATOM 952 C ASN A 64 15.938 2.219 -6.371 1.00 0.00 C ATOM 953 O ASN A 64 15.571 3.293 -5.895 1.00 0.00 O ATOM 954 CB ASN A 64 18.430 2.262 -6.153 1.00 0.00 C ATOM 955 CG ASN A 64 19.667 1.640 -5.534 1.00 0.00 C ATOM 956 OD1 ASN A 64 19.805 1.591 -4.312 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.573 1.162 -6.378 1.00 0.00 N ATOM 0 H ASN A 64 17.567 0.062 -7.288 1.00 0.00 H new ATOM 0 HA ASN A 64 17.052 1.434 -4.724 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.548 2.298 -7.236 1.00 0.00 H new ATOM 0 HB3 ASN A 64 18.333 3.292 -5.808 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.426 0.732 -6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 64 20.416 1.224 -7.384 1.00 0.00 H new ATOM 964 N ALA A 65 15.317 1.627 -7.386 1.00 0.00 N ATOM 965 CA ALA A 65 14.140 2.218 -8.011 1.00 0.00 C ATOM 966 C ALA A 65 14.355 3.702 -8.292 1.00 0.00 C ATOM 967 O ALA A 65 13.582 4.546 -7.842 1.00 0.00 O ATOM 968 CB ALA A 65 12.917 2.018 -7.129 1.00 0.00 C ATOM 0 H ALA A 65 15.609 0.739 -7.793 1.00 0.00 H new ATOM 0 HA ALA A 65 13.973 1.715 -8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.046 2.464 -7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.744 0.952 -6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.083 2.494 -6.163 1.00 0.00 H new ATOM 974 N ASN A 66 15.410 4.011 -9.038 1.00 0.00 N ATOM 975 CA ASN A 66 15.727 5.394 -9.378 1.00 0.00 C ATOM 976 C ASN A 66 15.064 5.797 -10.691 1.00 0.00 C ATOM 977 O ASN A 66 14.162 6.634 -10.729 1.00 0.00 O ATOM 978 CB ASN A 66 17.242 5.581 -9.481 1.00 0.00 C ATOM 979 CG ASN A 66 17.816 6.316 -8.285 1.00 0.00 C ATOM 980 OD1 ASN A 66 18.363 7.411 -8.419 1.00 0.00 O ATOM 981 ND2 ASN A 66 17.694 5.715 -7.107 1.00 0.00 N ATOM 0 H ASN A 66 16.060 3.323 -9.419 1.00 0.00 H new ATOM 0 HA ASN A 66 15.341 6.034 -8.585 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.721 4.606 -9.569 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.476 6.134 -10.391 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.061 6.161 -6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.233 4.807 -7.043 1.00 0.00 H new ATOM 988 N PRO A 67 15.519 5.187 -11.796 1.00 0.00 N ATOM 989 CA PRO A 67 14.983 5.466 -13.132 1.00 0.00 C ATOM 990 C PRO A 67 13.563 4.939 -13.308 1.00 0.00 C ATOM 991 O PRO A 67 12.735 5.566 -13.968 1.00 0.00 O ATOM 992 CB PRO A 67 15.947 4.725 -14.062 1.00 0.00 C ATOM 993 CG PRO A 67 16.517 3.633 -13.225 1.00 0.00 C ATOM 994 CD PRO A 67 16.591 4.179 -11.826 1.00 0.00 C ATOM 0 HA PRO A 67 14.916 6.536 -13.329 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.428 4.326 -14.933 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.728 5.389 -14.432 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.889 2.743 -13.264 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.505 3.342 -13.583 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.430 3.399 -11.081 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.565 4.622 -11.619 1.00 0.00 H new ATOM 1002 N GLY A 68 13.287 3.783 -12.712 1.00 0.00 N ATOM 1003 CA GLY A 68 11.965 3.192 -12.815 1.00 0.00 C ATOM 1004 C GLY A 68 12.015 1.717 -13.160 1.00 0.00 C ATOM 1005 O GLY A 68 11.156 1.211 -13.883 1.00 0.00 O ATOM 0 H GLY A 68 13.955 3.245 -12.160 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.437 3.323 -11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.392 3.721 -13.577 1.00 0.00 H new ATOM 1009 N LEU A 69 13.024 1.024 -12.644 1.00 0.00 N ATOM 1010 CA LEU A 69 13.184 -0.403 -12.902 1.00 0.00 C ATOM 1011 C LEU A 69 12.484 -1.233 -11.831 1.00 0.00 C ATOM 1012 O LEU A 69 12.002 -2.332 -12.101 1.00 0.00 O ATOM 1013 CB LEU A 69 14.668 -0.768 -12.957 1.00 0.00 C ATOM 1014 CG LEU A 69 15.464 -0.538 -11.672 1.00 0.00 C ATOM 1015 CD1 LEU A 69 16.332 -1.746 -11.357 1.00 0.00 C ATOM 1016 CD2 LEU A 69 16.317 0.717 -11.790 1.00 0.00 C ATOM 0 H LEU A 69 13.744 1.427 -12.044 1.00 0.00 H new ATOM 0 HA LEU A 69 12.725 -0.626 -13.865 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.753 -1.820 -13.230 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.134 -0.193 -13.757 1.00 0.00 H new ATOM 0 HG LEU A 69 14.759 -0.399 -10.852 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.891 -1.563 -10.439 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.700 -2.625 -11.228 1.00 0.00 H new ATOM 0 HD13 LEU A 69 17.029 -1.917 -12.178 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.876 0.865 -10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 69 17.013 0.607 -12.622 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.674 1.579 -11.966 1.00 0.00 H new ATOM 1028 N MET A 70 12.429 -0.697 -10.616 1.00 0.00 N ATOM 1029 CA MET A 70 11.784 -1.386 -9.505 1.00 0.00 C ATOM 1030 C MET A 70 10.599 -0.582 -8.981 1.00 0.00 C ATOM 1031 O MET A 70 9.705 -1.126 -8.333 1.00 0.00 O ATOM 1032 CB MET A 70 12.788 -1.631 -8.377 1.00 0.00 C ATOM 1033 CG MET A 70 14.064 -2.317 -8.838 1.00 0.00 C ATOM 1034 SD MET A 70 13.945 -4.116 -8.781 1.00 0.00 S ATOM 1035 CE MET A 70 13.930 -4.509 -10.529 1.00 0.00 C ATOM 0 H MET A 70 12.824 0.213 -10.376 1.00 0.00 H new ATOM 0 HA MET A 70 11.417 -2.345 -9.869 1.00 0.00 H new ATOM 0 HB2 MET A 70 13.044 -0.677 -7.916 1.00 0.00 H new ATOM 0 HB3 MET A 70 12.315 -2.240 -7.607 1.00 0.00 H new ATOM 0 HG2 MET A 70 14.293 -2.004 -9.857 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.894 -1.992 -8.211 1.00 0.00 H new ATOM 0 HE1 MET A 70 13.039 -5.092 -10.763 1.00 0.00 H new ATOM 0 HE2 MET A 70 13.923 -3.586 -11.109 1.00 0.00 H new ATOM 0 HE3 MET A 70 14.819 -5.088 -10.779 1.00 0.00 H new ATOM 1045 N LYS A 71 10.598 0.716 -9.265 1.00 0.00 N ATOM 1046 CA LYS A 71 9.522 1.595 -8.823 1.00 0.00 C ATOM 1047 C LYS A 71 8.282 1.418 -9.694 1.00 0.00 C ATOM 1048 O LYS A 71 7.170 1.744 -9.279 1.00 0.00 O ATOM 1049 CB LYS A 71 9.981 3.055 -8.861 1.00 0.00 C ATOM 1050 CG LYS A 71 9.515 3.870 -7.667 1.00 0.00 C ATOM 1051 CD LYS A 71 10.292 5.170 -7.542 1.00 0.00 C ATOM 1052 CE LYS A 71 9.830 5.983 -6.343 1.00 0.00 C ATOM 1053 NZ LYS A 71 10.921 6.835 -5.796 1.00 0.00 N ATOM 0 H LYS A 71 11.331 1.183 -9.800 1.00 0.00 H new ATOM 0 HA LYS A 71 9.265 1.327 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.070 3.084 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.611 3.520 -9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.452 4.089 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.635 3.284 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.356 4.951 -7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.168 5.758 -8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.989 6.613 -6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.470 5.310 -5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.565 7.373 -4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.714 6.233 -5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.247 7.495 -6.530 1.00 0.00 H new ATOM 1067 N ASP A 72 8.482 0.899 -10.900 1.00 0.00 N ATOM 1068 CA ASP A 72 7.379 0.677 -11.828 1.00 0.00 C ATOM 1069 C ASP A 72 7.225 -0.808 -12.143 1.00 0.00 C ATOM 1070 O ASP A 72 6.988 -1.189 -13.289 1.00 0.00 O ATOM 1071 CB ASP A 72 7.605 1.463 -13.120 1.00 0.00 C ATOM 1072 CG ASP A 72 6.305 1.860 -13.791 1.00 0.00 C ATOM 1073 OD1 ASP A 72 5.580 2.707 -13.228 1.00 0.00 O ATOM 1074 OD2 ASP A 72 6.013 1.325 -14.881 1.00 0.00 O ATOM 0 H ASP A 72 9.397 0.624 -11.258 1.00 0.00 H new ATOM 0 HA ASP A 72 6.462 1.027 -11.354 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.185 2.359 -12.900 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.197 0.861 -13.809 1.00 0.00 H new ATOM 1079 N VAL A 73 7.362 -1.642 -11.117 1.00 0.00 N ATOM 1080 CA VAL A 73 7.238 -3.086 -11.283 1.00 0.00 C ATOM 1081 C VAL A 73 6.278 -3.676 -10.257 1.00 0.00 C ATOM 1082 O VAL A 73 5.588 -4.658 -10.531 1.00 0.00 O ATOM 1083 CB VAL A 73 8.604 -3.785 -11.154 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.895 -4.123 -9.699 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.646 -5.035 -12.019 1.00 0.00 C ATOM 0 H VAL A 73 7.559 -1.343 -10.162 1.00 0.00 H new ATOM 0 HA VAL A 73 6.844 -3.257 -12.285 1.00 0.00 H new ATOM 0 HB VAL A 73 9.377 -3.102 -11.505 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.864 -4.616 -9.627 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.909 -3.207 -9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.120 -4.788 -9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.618 -5.516 -11.916 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.864 -5.724 -11.700 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.486 -4.761 -13.062 1.00 0.00 H new ATOM 1095 N ALA A 74 6.238 -3.072 -9.075 1.00 0.00 N ATOM 1096 CA ALA A 74 5.360 -3.536 -8.008 1.00 0.00 C ATOM 1097 C ALA A 74 3.961 -2.946 -8.152 1.00 0.00 C ATOM 1098 O ALA A 74 3.093 -3.166 -7.307 1.00 0.00 O ATOM 1099 CB ALA A 74 5.947 -3.182 -6.650 1.00 0.00 C ATOM 0 H ALA A 74 6.804 -2.259 -8.831 1.00 0.00 H new ATOM 0 HA ALA A 74 5.278 -4.620 -8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.281 -3.535 -5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.922 -3.657 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.059 -2.101 -6.573 1.00 0.00 H new ATOM 1105 N LYS A 75 3.749 -2.195 -9.227 1.00 0.00 N ATOM 1106 CA LYS A 75 2.456 -1.572 -9.483 1.00 0.00 C ATOM 1107 C LYS A 75 1.868 -2.062 -10.803 1.00 0.00 C ATOM 1108 O LYS A 75 0.652 -2.044 -10.997 1.00 0.00 O ATOM 1109 CB LYS A 75 2.596 -0.049 -9.509 1.00 0.00 C ATOM 1110 CG LYS A 75 3.499 0.498 -8.417 1.00 0.00 C ATOM 1111 CD LYS A 75 2.943 0.203 -7.034 1.00 0.00 C ATOM 1112 CE LYS A 75 2.742 1.479 -6.231 1.00 0.00 C ATOM 1113 NZ LYS A 75 2.934 1.252 -4.772 1.00 0.00 N ATOM 0 H LYS A 75 4.457 -2.003 -9.936 1.00 0.00 H new ATOM 0 HA LYS A 75 1.779 -1.854 -8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.989 0.255 -10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.608 0.400 -9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.493 0.060 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.612 1.575 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.993 -0.323 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.624 -0.460 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.443 2.239 -6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.739 1.866 -6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.788 2.145 -4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.248 0.545 -4.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.900 0.907 -4.598 1.00 0.00 H new ATOM 1127 N VAL A 76 2.738 -2.500 -11.707 1.00 0.00 N ATOM 1128 CA VAL A 76 2.305 -2.997 -13.007 1.00 0.00 C ATOM 1129 C VAL A 76 1.406 -4.219 -12.856 1.00 0.00 C ATOM 1130 O VAL A 76 0.373 -4.328 -13.518 1.00 0.00 O ATOM 1131 CB VAL A 76 3.508 -3.366 -13.896 1.00 0.00 C ATOM 1132 CG1 VAL A 76 3.035 -3.919 -15.232 1.00 0.00 C ATOM 1133 CG2 VAL A 76 4.409 -2.157 -14.100 1.00 0.00 C ATOM 0 H VAL A 76 3.748 -2.521 -11.563 1.00 0.00 H new ATOM 0 HA VAL A 76 1.744 -2.193 -13.483 1.00 0.00 H new ATOM 0 HB VAL A 76 4.086 -4.141 -13.393 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.898 -4.174 -15.846 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.433 -4.812 -15.064 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.434 -3.168 -15.745 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.254 -2.435 -14.730 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.844 -1.359 -14.582 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.776 -1.809 -13.134 1.00 0.00 H new ATOM 1143 N PHE A 77 1.804 -5.136 -11.982 1.00 0.00 N ATOM 1144 CA PHE A 77 1.034 -6.352 -11.744 1.00 0.00 C ATOM 1145 C PHE A 77 0.438 -6.351 -10.340 1.00 0.00 C ATOM 1146 O PHE A 77 -0.779 -6.430 -10.172 1.00 0.00 O ATOM 1147 CB PHE A 77 1.918 -7.586 -11.934 1.00 0.00 C ATOM 1148 CG PHE A 77 2.864 -7.828 -10.793 1.00 0.00 C ATOM 1149 CD1 PHE A 77 4.058 -7.129 -10.706 1.00 0.00 C ATOM 1150 CD2 PHE A 77 2.560 -8.753 -9.808 1.00 0.00 C ATOM 1151 CE1 PHE A 77 4.931 -7.351 -9.658 1.00 0.00 C ATOM 1152 CE2 PHE A 77 3.429 -8.978 -8.757 1.00 0.00 C ATOM 1153 CZ PHE A 77 4.615 -8.275 -8.681 1.00 0.00 C ATOM 0 H PHE A 77 2.656 -5.061 -11.426 1.00 0.00 H new ATOM 0 HA PHE A 77 0.218 -6.383 -12.466 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.282 -8.462 -12.060 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.492 -7.473 -12.854 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.309 -6.403 -11.465 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.633 -9.305 -9.862 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.860 -6.802 -9.603 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.181 -9.703 -7.996 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.294 -8.447 -7.859 1.00 0.00 H new