USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 696 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 44 THR OG1 : rot 44:sc= 0.0544 USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0.109 USER MOD Single : A 3 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.15) USER MOD Single : A 5 GLN : amide:sc=-0.000765 K(o=-0.00076,f=-0.8) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 112:sc= 1.24 USER MOD Single : A 9 ASN : amide:sc= -0.629 X(o=-0.63,f=-0.68) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.507) USER MOD Single : A 17 LYS NZ :NH3+ -128:sc= 0.389 (180deg=-0.00139) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= 0.0152 (180deg=0.0127) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 163:sc= -5.86! USER MOD Single : A 41 ASN : amide:sc= -0.754 X(o=-0.75,f=-0.59) USER MOD Single : A 54 SER OG : rot 81:sc= 1.14 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0718 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.172 K(o=-0.17,f=-2!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.491 USER MOD Single : A 79 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.0024) USER MOD Single : A 80 GLN : amide:sc= -0.957 K(o=-0.96,f=-3.1!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.8!) USER MOD Single : A 89 SER OG : rot -56:sc= 1.03 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 174:sc= -1.41 (180deg=-1.51) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.312 F(o=-2.8!,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.414 6.605 -15.368 1.00 0.00 N ATOM 32 CA GLN A 3 -5.687 5.353 -14.600 1.00 0.00 C ATOM 33 C GLN A 3 -6.009 5.688 -13.135 1.00 0.00 C ATOM 34 O GLN A 3 -5.192 5.488 -12.256 1.00 0.00 O ATOM 35 CB GLN A 3 -4.393 4.540 -14.697 1.00 0.00 C ATOM 36 CG GLN A 3 -4.160 4.111 -16.149 1.00 0.00 C ATOM 37 CD GLN A 3 -5.291 3.177 -16.600 1.00 0.00 C ATOM 38 OE1 GLN A 3 -5.953 3.446 -17.583 1.00 0.00 O ATOM 39 NE2 GLN A 3 -5.547 2.083 -15.925 1.00 0.00 N ATOM 0 HA GLN A 3 -6.543 4.804 -14.993 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.551 5.135 -14.344 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.455 3.662 -14.054 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.120 4.988 -16.795 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.199 3.604 -16.239 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.995 1.852 -15.099 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.299 1.462 -16.226 1.00 0.00 H new ATOM 48 N GLU A 4 -7.196 6.195 -12.860 1.00 0.00 N ATOM 49 CA GLU A 4 -7.552 6.534 -11.439 1.00 0.00 C ATOM 50 C GLU A 4 -8.356 5.392 -10.801 1.00 0.00 C ATOM 51 O GLU A 4 -8.159 5.071 -9.644 1.00 0.00 O ATOM 52 CB GLU A 4 -8.393 7.815 -11.505 1.00 0.00 C ATOM 53 CG GLU A 4 -7.573 8.931 -12.156 1.00 0.00 C ATOM 54 CD GLU A 4 -8.482 10.127 -12.447 1.00 0.00 C ATOM 55 OE1 GLU A 4 -9.558 9.913 -12.978 1.00 0.00 O ATOM 56 OE2 GLU A 4 -8.085 11.238 -12.133 1.00 0.00 O ATOM 0 H GLU A 4 -7.923 6.386 -13.549 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.661 6.677 -10.828 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.303 7.636 -12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.701 8.113 -10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.759 9.231 -11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.119 8.572 -13.080 1.00 0.00 H new ATOM 63 N GLN A 5 -9.257 4.764 -11.537 1.00 0.00 N ATOM 64 CA GLN A 5 -10.053 3.630 -10.933 1.00 0.00 C ATOM 65 C GLN A 5 -9.096 2.576 -10.346 1.00 0.00 C ATOM 66 O GLN A 5 -9.347 2.029 -9.289 1.00 0.00 O ATOM 67 CB GLN A 5 -10.924 3.028 -12.057 1.00 0.00 C ATOM 68 CG GLN A 5 -10.042 2.423 -13.155 1.00 0.00 C ATOM 69 CD GLN A 5 -10.932 1.808 -14.243 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.972 1.254 -13.946 1.00 0.00 O ATOM 71 NE2 GLN A 5 -10.570 1.878 -15.502 1.00 0.00 N ATOM 0 H GLN A 5 -9.473 4.981 -12.510 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.689 3.983 -10.121 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.580 2.261 -11.645 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.565 3.801 -12.482 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.400 3.192 -13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.387 1.661 -12.732 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.698 2.342 -15.757 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.160 1.469 -16.226 1.00 0.00 H new ATOM 80 N TYR A 6 -7.979 2.324 -10.998 1.00 0.00 N ATOM 81 CA TYR A 6 -6.993 1.342 -10.429 1.00 0.00 C ATOM 82 C TYR A 6 -6.260 2.011 -9.256 1.00 0.00 C ATOM 83 O TYR A 6 -5.970 1.379 -8.260 1.00 0.00 O ATOM 84 CB TYR A 6 -5.995 1.004 -11.550 1.00 0.00 C ATOM 85 CG TYR A 6 -6.641 0.082 -12.555 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.343 0.613 -13.643 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.534 -1.306 -12.401 1.00 0.00 C ATOM 88 CE1 TYR A 6 -7.937 -0.242 -14.579 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.128 -2.162 -13.337 1.00 0.00 C ATOM 90 CZ TYR A 6 -7.830 -1.630 -14.425 1.00 0.00 C ATOM 91 OH TYR A 6 -8.416 -2.473 -15.347 1.00 0.00 O ATOM 0 H TYR A 6 -7.711 2.749 -11.886 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.483 0.436 -10.071 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.665 1.919 -12.043 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.108 0.531 -11.128 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.427 1.683 -13.761 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.994 -1.716 -11.561 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.477 0.168 -15.419 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.044 -3.232 -13.219 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.246 -3.404 -15.093 1.00 0.00 H new ATOM 101 N THR A 7 -5.967 3.294 -9.366 1.00 0.00 N ATOM 102 CA THR A 7 -5.261 4.002 -8.242 1.00 0.00 C ATOM 103 C THR A 7 -6.186 4.085 -7.018 1.00 0.00 C ATOM 104 O THR A 7 -5.745 3.907 -5.898 1.00 0.00 O ATOM 105 CB THR A 7 -4.925 5.414 -8.765 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.053 5.304 -9.880 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.251 6.253 -7.674 1.00 0.00 C ATOM 0 H THR A 7 -6.184 3.874 -10.177 1.00 0.00 H new ATOM 0 HA THR A 7 -4.358 3.474 -7.936 1.00 0.00 H new ATOM 0 HB THR A 7 -5.851 5.907 -9.059 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.523 5.586 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.023 7.244 -8.066 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.922 6.346 -6.820 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.328 5.767 -7.359 1.00 0.00 H new ATOM 115 N GLU A 8 -7.461 4.349 -7.217 1.00 0.00 N ATOM 116 CA GLU A 8 -8.389 4.433 -6.036 1.00 0.00 C ATOM 117 C GLU A 8 -8.589 3.039 -5.433 1.00 0.00 C ATOM 118 O GLU A 8 -8.612 2.884 -4.226 1.00 0.00 O ATOM 119 CB GLU A 8 -9.723 4.998 -6.550 1.00 0.00 C ATOM 120 CG GLU A 8 -9.582 6.502 -6.791 1.00 0.00 C ATOM 121 CD GLU A 8 -9.963 7.260 -5.518 1.00 0.00 C ATOM 122 OE1 GLU A 8 -11.146 7.467 -5.307 1.00 0.00 O ATOM 123 OE2 GLU A 8 -9.064 7.623 -4.777 1.00 0.00 O ATOM 0 H GLU A 8 -7.893 4.507 -8.127 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.979 5.075 -5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.010 4.496 -7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.514 4.808 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.558 6.741 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.223 6.811 -7.617 1.00 0.00 H new ATOM 130 N ASN A 9 -8.706 2.019 -6.256 1.00 0.00 N ATOM 131 CA ASN A 9 -8.871 0.636 -5.692 1.00 0.00 C ATOM 132 C ASN A 9 -7.511 0.133 -5.194 1.00 0.00 C ATOM 133 O ASN A 9 -7.427 -0.507 -4.162 1.00 0.00 O ATOM 134 CB ASN A 9 -9.399 -0.252 -6.829 1.00 0.00 C ATOM 135 CG ASN A 9 -10.850 0.132 -7.144 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.107 1.221 -7.619 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.819 -0.716 -6.901 1.00 0.00 N ATOM 0 H ASN A 9 -8.695 2.081 -7.274 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.565 0.621 -4.852 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.779 -0.132 -7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.343 -1.302 -6.541 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.784 -0.461 -7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.608 -1.631 -6.502 1.00 0.00 H new ATOM 144 N LEU A 10 -6.441 0.436 -5.901 1.00 0.00 N ATOM 145 CA LEU A 10 -5.090 -0.014 -5.424 1.00 0.00 C ATOM 146 C LEU A 10 -4.724 0.741 -4.140 1.00 0.00 C ATOM 147 O LEU A 10 -4.123 0.179 -3.242 1.00 0.00 O ATOM 148 CB LEU A 10 -4.086 0.313 -6.541 1.00 0.00 C ATOM 149 CG LEU A 10 -2.699 -0.190 -6.137 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.713 -1.717 -6.063 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.670 0.261 -7.175 1.00 0.00 C ATOM 0 H LEU A 10 -6.444 0.966 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.082 -1.081 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.398 -0.155 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.058 1.388 -6.718 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.434 0.219 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.725 -2.076 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.446 -2.039 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.978 -2.126 -7.038 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.682 -0.097 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.934 -0.147 -8.150 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.660 1.350 -7.228 1.00 0.00 H new ATOM 163 N LYS A 11 -5.087 2.007 -4.030 1.00 0.00 N ATOM 164 CA LYS A 11 -4.751 2.770 -2.774 1.00 0.00 C ATOM 165 C LYS A 11 -5.366 2.074 -1.549 1.00 0.00 C ATOM 166 O LYS A 11 -4.789 2.088 -0.476 1.00 0.00 O ATOM 167 CB LYS A 11 -5.341 4.179 -2.935 1.00 0.00 C ATOM 168 CG LYS A 11 -4.896 5.056 -1.763 1.00 0.00 C ATOM 169 CD LYS A 11 -5.872 6.222 -1.599 1.00 0.00 C ATOM 170 CE LYS A 11 -5.693 7.204 -2.758 1.00 0.00 C ATOM 171 NZ LYS A 11 -6.100 8.527 -2.208 1.00 0.00 N ATOM 0 H LYS A 11 -5.592 2.535 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.672 2.815 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.011 4.617 -3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.429 4.127 -2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.860 4.466 -0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.889 5.433 -1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.897 5.852 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.695 6.727 -0.650 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.660 7.222 -3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.311 6.924 -3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.316 9.177 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.944 8.410 -1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.325 8.919 -1.636 1.00 0.00 H new ATOM 185 N VAL A 12 -6.527 1.460 -1.689 1.00 0.00 N ATOM 186 CA VAL A 12 -7.144 0.766 -0.505 1.00 0.00 C ATOM 187 C VAL A 12 -6.270 -0.427 -0.095 1.00 0.00 C ATOM 188 O VAL A 12 -5.880 -0.548 1.050 1.00 0.00 O ATOM 189 CB VAL A 12 -8.536 0.285 -0.948 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.228 -0.427 0.213 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.375 1.490 -1.380 1.00 0.00 C ATOM 0 H VAL A 12 -7.064 1.410 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.223 1.434 0.353 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.431 -0.407 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.214 -0.767 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.631 -1.285 0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.334 0.262 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.362 1.152 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.478 2.181 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.883 1.997 -2.210 1.00 0.00 H new ATOM 201 N ILE A 13 -5.953 -1.301 -1.024 1.00 0.00 N ATOM 202 CA ILE A 13 -5.087 -2.481 -0.668 1.00 0.00 C ATOM 203 C ILE A 13 -3.715 -1.986 -0.187 1.00 0.00 C ATOM 204 O ILE A 13 -3.149 -2.535 0.740 1.00 0.00 O ATOM 205 CB ILE A 13 -4.948 -3.335 -1.943 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.344 -3.787 -2.410 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.082 -4.564 -1.647 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.501 -3.536 -3.915 1.00 0.00 C ATOM 0 H ILE A 13 -6.249 -1.253 -1.999 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.525 -3.072 0.136 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.476 -2.743 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.484 -4.846 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.113 -3.245 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.985 -5.167 -2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.094 -4.242 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.550 -5.159 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.491 -3.859 -4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.381 -2.472 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.742 -4.098 -4.459 1.00 0.00 H new ATOM 220 N VAL A 14 -3.182 -0.942 -0.792 1.00 0.00 N ATOM 221 CA VAL A 14 -1.849 -0.419 -0.325 1.00 0.00 C ATOM 222 C VAL A 14 -1.993 0.088 1.118 1.00 0.00 C ATOM 223 O VAL A 14 -1.147 -0.168 1.953 1.00 0.00 O ATOM 224 CB VAL A 14 -1.466 0.735 -1.267 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.106 1.303 -0.853 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.391 0.221 -2.713 1.00 0.00 C ATOM 0 H VAL A 14 -3.602 -0.438 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.080 -1.191 -0.343 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.221 1.518 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.165 2.121 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.163 1.674 0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.649 0.519 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.119 1.042 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.639 -0.565 -2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.361 -0.179 -3.008 1.00 0.00 H new ATOM 236 N ALA A 15 -3.069 0.791 1.423 1.00 0.00 N ATOM 237 CA ALA A 15 -3.255 1.287 2.834 1.00 0.00 C ATOM 238 C ALA A 15 -3.321 0.092 3.803 1.00 0.00 C ATOM 239 O ALA A 15 -2.868 0.184 4.928 1.00 0.00 O ATOM 240 CB ALA A 15 -4.581 2.064 2.863 1.00 0.00 C ATOM 0 H ALA A 15 -3.812 1.038 0.770 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.425 1.924 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.758 2.444 3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.529 2.899 2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.397 1.401 2.576 1.00 0.00 H new ATOM 246 N GLU A 16 -3.876 -1.036 3.382 1.00 0.00 N ATOM 247 CA GLU A 16 -3.952 -2.231 4.305 1.00 0.00 C ATOM 248 C GLU A 16 -2.563 -2.545 4.884 1.00 0.00 C ATOM 249 O GLU A 16 -2.437 -2.889 6.045 1.00 0.00 O ATOM 250 CB GLU A 16 -4.441 -3.413 3.452 1.00 0.00 C ATOM 251 CG GLU A 16 -4.649 -4.638 4.344 1.00 0.00 C ATOM 252 CD GLU A 16 -4.589 -5.907 3.492 1.00 0.00 C ATOM 253 OE1 GLU A 16 -3.491 -6.376 3.240 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.642 -6.388 3.106 1.00 0.00 O ATOM 0 H GLU A 16 -4.273 -1.178 2.453 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.625 -2.038 5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.374 -3.152 2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.713 -3.638 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.883 -4.671 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.612 -4.573 4.851 1.00 0.00 H new ATOM 261 N LYS A 17 -1.518 -2.418 4.089 1.00 0.00 N ATOM 262 CA LYS A 17 -0.142 -2.703 4.626 1.00 0.00 C ATOM 263 C LYS A 17 0.368 -1.484 5.409 1.00 0.00 C ATOM 264 O LYS A 17 0.762 -1.605 6.553 1.00 0.00 O ATOM 265 CB LYS A 17 0.759 -2.983 3.413 1.00 0.00 C ATOM 266 CG LYS A 17 0.411 -4.351 2.822 1.00 0.00 C ATOM 267 CD LYS A 17 0.795 -5.457 3.814 1.00 0.00 C ATOM 268 CE LYS A 17 -0.454 -5.943 4.559 1.00 0.00 C ATOM 269 NZ LYS A 17 -0.777 -7.263 3.951 1.00 0.00 N ATOM 0 H LYS A 17 -1.557 -2.135 3.110 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.146 -3.556 5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.626 -2.206 2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.807 -2.960 3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.655 -4.402 2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.939 -4.495 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.260 -6.288 3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.531 -5.081 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.264 -6.037 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.281 -5.242 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.774 -7.275 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.169 -7.422 3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.614 -8.016 4.649 1.00 0.00 H new ATOM 283 N LEU A 18 0.354 -0.304 4.816 1.00 0.00 N ATOM 284 CA LEU A 18 0.834 0.920 5.563 1.00 0.00 C ATOM 285 C LEU A 18 0.061 1.066 6.883 1.00 0.00 C ATOM 286 O LEU A 18 0.630 1.408 7.902 1.00 0.00 O ATOM 287 CB LEU A 18 0.529 2.131 4.652 1.00 0.00 C ATOM 288 CG LEU A 18 1.686 2.466 3.678 1.00 0.00 C ATOM 289 CD1 LEU A 18 2.493 1.218 3.275 1.00 0.00 C ATOM 290 CD2 LEU A 18 1.087 3.101 2.413 1.00 0.00 C ATOM 0 H LEU A 18 0.036 -0.135 3.862 1.00 0.00 H new ATOM 0 HA LEU A 18 1.896 0.848 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.374 1.927 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.321 3.002 5.273 1.00 0.00 H new ATOM 0 HG LEU A 18 2.368 3.149 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.292 1.506 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.924 0.761 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.835 0.503 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.887 3.344 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.397 2.399 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.551 4.011 2.682 1.00 0.00 H new ATOM 302 N ALA A 19 -1.231 0.809 6.874 1.00 0.00 N ATOM 303 CA ALA A 19 -2.023 0.936 8.145 1.00 0.00 C ATOM 304 C ALA A 19 -1.729 -0.253 9.084 1.00 0.00 C ATOM 305 O ALA A 19 -1.884 -0.142 10.286 1.00 0.00 O ATOM 306 CB ALA A 19 -3.506 0.936 7.741 1.00 0.00 C ATOM 0 H ALA A 19 -1.764 0.521 6.054 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.759 1.849 8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.126 1.027 8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.702 1.777 7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.743 0.004 7.227 1.00 0.00 H new ATOM 312 N GLY A 20 -1.316 -1.397 8.555 1.00 0.00 N ATOM 313 CA GLY A 20 -1.034 -2.572 9.435 1.00 0.00 C ATOM 314 C GLY A 20 0.458 -2.633 9.824 1.00 0.00 C ATOM 315 O GLY A 20 0.794 -3.176 10.860 1.00 0.00 O ATOM 0 H GLY A 20 -1.166 -1.556 7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.645 -2.510 10.336 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.316 -3.491 8.921 1.00 0.00 H new ATOM 319 N ILE A 21 1.363 -2.100 9.013 1.00 0.00 N ATOM 320 CA ILE A 21 2.834 -2.165 9.377 1.00 0.00 C ATOM 321 C ILE A 21 3.052 -1.652 10.827 1.00 0.00 C ATOM 322 O ILE A 21 2.492 -0.641 11.205 1.00 0.00 O ATOM 323 CB ILE A 21 3.564 -1.283 8.330 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.603 -2.039 6.997 1.00 0.00 C ATOM 325 CG2 ILE A 21 5.002 -0.974 8.763 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.681 -1.049 5.829 1.00 0.00 C ATOM 0 H ILE A 21 1.153 -1.632 8.132 1.00 0.00 H new ATOM 0 HA ILE A 21 3.222 -3.183 9.357 1.00 0.00 H new ATOM 0 HB ILE A 21 3.024 -0.341 8.234 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.464 -2.707 6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.714 -2.661 6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.484 -0.354 8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.989 -0.442 9.714 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.556 -1.906 8.876 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.708 -1.598 4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.807 -0.398 5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.584 -0.446 5.923 1.00 0.00 H new ATOM 338 N PRO A 22 3.842 -2.378 11.601 1.00 0.00 N ATOM 339 CA PRO A 22 4.097 -1.983 13.019 1.00 0.00 C ATOM 340 C PRO A 22 4.893 -0.668 13.126 1.00 0.00 C ATOM 341 O PRO A 22 4.801 0.022 14.124 1.00 0.00 O ATOM 342 CB PRO A 22 4.899 -3.155 13.582 1.00 0.00 C ATOM 343 CG PRO A 22 5.537 -3.787 12.390 1.00 0.00 C ATOM 344 CD PRO A 22 4.573 -3.610 11.250 1.00 0.00 C ATOM 0 HA PRO A 22 3.171 -1.794 13.562 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.647 -2.815 14.298 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.254 -3.860 14.106 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.494 -3.316 12.166 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.736 -4.843 12.570 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.093 -3.510 10.297 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.900 -4.463 11.158 1.00 0.00 H new ATOM 415 N ASP A 27 0.970 8.720 9.286 1.00 0.00 N ATOM 416 CA ASP A 27 1.231 8.764 7.810 1.00 0.00 C ATOM 417 C ASP A 27 0.879 7.421 7.142 1.00 0.00 C ATOM 418 O ASP A 27 1.677 6.505 7.134 1.00 0.00 O ATOM 419 CB ASP A 27 2.728 9.057 7.671 1.00 0.00 C ATOM 420 CG ASP A 27 2.989 10.537 7.956 1.00 0.00 C ATOM 421 OD1 ASP A 27 2.445 11.037 8.926 1.00 0.00 O ATOM 422 OD2 ASP A 27 3.729 11.144 7.199 1.00 0.00 O ATOM 0 HA ASP A 27 0.618 9.521 7.320 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.296 8.437 8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.067 8.804 6.666 1.00 0.00 H new ATOM 427 N ILE A 28 -0.304 7.300 6.579 1.00 0.00 N ATOM 428 CA ILE A 28 -0.696 6.023 5.907 1.00 0.00 C ATOM 429 C ILE A 28 -1.331 6.347 4.537 1.00 0.00 C ATOM 430 O ILE A 28 -0.830 5.929 3.510 1.00 0.00 O ATOM 431 CB ILE A 28 -1.663 5.254 6.888 1.00 0.00 C ATOM 432 CG1 ILE A 28 -2.788 4.515 6.137 1.00 0.00 C ATOM 433 CG2 ILE A 28 -2.321 6.175 7.925 1.00 0.00 C ATOM 434 CD1 ILE A 28 -2.188 3.430 5.252 1.00 0.00 C ATOM 0 H ILE A 28 -1.013 8.033 6.558 1.00 0.00 H new ATOM 0 HA ILE A 28 0.158 5.377 5.701 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.020 4.537 7.399 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.484 4.073 6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.357 5.219 5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.974 5.588 8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.549 6.653 8.528 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.907 6.939 7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.986 2.910 4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.509 3.884 4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.639 2.719 5.869 1.00 0.00 H new ATOM 446 N LYS A 29 -2.418 7.082 4.511 1.00 0.00 N ATOM 447 CA LYS A 29 -3.059 7.418 3.186 1.00 0.00 C ATOM 448 C LYS A 29 -2.062 8.171 2.289 1.00 0.00 C ATOM 449 O LYS A 29 -2.044 7.976 1.087 1.00 0.00 O ATOM 450 CB LYS A 29 -4.274 8.309 3.493 1.00 0.00 C ATOM 451 CG LYS A 29 -5.337 8.116 2.411 1.00 0.00 C ATOM 452 CD LYS A 29 -5.168 9.186 1.331 1.00 0.00 C ATOM 453 CE LYS A 29 -5.525 10.557 1.910 1.00 0.00 C ATOM 454 NZ LYS A 29 -6.181 11.287 0.791 1.00 0.00 N ATOM 0 H LYS A 29 -2.888 7.462 5.333 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.361 6.513 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.685 8.057 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.970 9.355 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.247 7.123 1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.333 8.181 2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.141 9.190 0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.809 8.962 0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.194 10.462 2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.636 11.083 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.379 12.265 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.550 11.294 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.073 10.813 0.543 1.00 0.00 H new ATOM 468 N TYR A 30 -1.228 9.026 2.853 1.00 0.00 N ATOM 469 CA TYR A 30 -0.240 9.770 1.995 1.00 0.00 C ATOM 470 C TYR A 30 0.827 8.807 1.459 1.00 0.00 C ATOM 471 O TYR A 30 1.243 8.919 0.320 1.00 0.00 O ATOM 472 CB TYR A 30 0.407 10.844 2.887 1.00 0.00 C ATOM 473 CG TYR A 30 -0.613 11.908 3.212 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.141 12.708 2.191 1.00 0.00 C ATOM 475 CD2 TYR A 30 -1.033 12.096 4.535 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.087 13.695 2.493 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.978 13.083 4.837 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.506 13.882 3.816 1.00 0.00 C ATOM 479 OH TYR A 30 -3.439 14.854 4.112 1.00 0.00 O ATOM 0 H TYR A 30 -1.189 9.237 3.850 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.733 10.225 1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.782 10.392 3.805 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.262 11.288 2.378 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.818 12.564 1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.627 11.479 5.323 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.494 14.312 1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.300 13.228 5.858 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.620 14.851 5.075 1.00 0.00 H new ATOM 489 N VAL A 31 1.268 7.852 2.255 1.00 0.00 N ATOM 490 CA VAL A 31 2.304 6.887 1.742 1.00 0.00 C ATOM 491 C VAL A 31 1.678 5.988 0.665 1.00 0.00 C ATOM 492 O VAL A 31 2.308 5.687 -0.332 1.00 0.00 O ATOM 493 CB VAL A 31 2.775 6.048 2.946 1.00 0.00 C ATOM 494 CG1 VAL A 31 3.848 5.042 2.496 1.00 0.00 C ATOM 495 CG2 VAL A 31 3.357 6.980 4.015 1.00 0.00 C ATOM 0 H VAL A 31 0.963 7.701 3.217 1.00 0.00 H new ATOM 0 HA VAL A 31 3.148 7.409 1.292 1.00 0.00 H new ATOM 0 HB VAL A 31 1.928 5.501 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.176 4.453 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.430 4.379 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.699 5.580 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.691 6.390 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.202 7.528 3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.592 7.685 4.339 1.00 0.00 H new ATOM 505 N ALA A 32 0.441 5.566 0.846 1.00 0.00 N ATOM 506 CA ALA A 32 -0.205 4.693 -0.199 1.00 0.00 C ATOM 507 C ALA A 32 -0.289 5.451 -1.532 1.00 0.00 C ATOM 508 O ALA A 32 -0.060 4.881 -2.581 1.00 0.00 O ATOM 509 CB ALA A 32 -1.616 4.358 0.310 1.00 0.00 C ATOM 0 H ALA A 32 -0.140 5.783 1.656 1.00 0.00 H new ATOM 0 HA ALA A 32 0.373 3.784 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.124 3.725 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.544 3.832 1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.182 5.280 0.447 1.00 0.00 H new ATOM 515 N GLU A 33 -0.604 6.733 -1.505 1.00 0.00 N ATOM 516 CA GLU A 33 -0.685 7.505 -2.801 1.00 0.00 C ATOM 517 C GLU A 33 0.670 7.442 -3.516 1.00 0.00 C ATOM 518 O GLU A 33 0.737 7.172 -4.702 1.00 0.00 O ATOM 519 CB GLU A 33 -1.031 8.958 -2.438 1.00 0.00 C ATOM 520 CG GLU A 33 -2.550 9.129 -2.401 1.00 0.00 C ATOM 521 CD GLU A 33 -2.897 10.490 -1.796 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.589 11.491 -2.423 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.463 10.509 -0.716 1.00 0.00 O ATOM 0 H GLU A 33 -0.805 7.270 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.440 7.088 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.602 9.213 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.596 9.640 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.960 9.052 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.002 8.331 -1.811 1.00 0.00 H new ATOM 530 N TYR A 34 1.751 7.660 -2.800 1.00 0.00 N ATOM 531 CA TYR A 34 3.106 7.577 -3.453 1.00 0.00 C ATOM 532 C TYR A 34 3.333 6.140 -3.941 1.00 0.00 C ATOM 533 O TYR A 34 3.836 5.921 -5.027 1.00 0.00 O ATOM 534 CB TYR A 34 4.136 7.957 -2.370 1.00 0.00 C ATOM 535 CG TYR A 34 5.567 7.832 -2.876 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.877 7.927 -4.249 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.595 7.643 -1.947 1.00 0.00 C ATOM 538 CE1 TYR A 34 7.209 7.827 -4.673 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.923 7.549 -2.372 1.00 0.00 C ATOM 540 CZ TYR A 34 8.230 7.640 -3.734 1.00 0.00 C ATOM 541 OH TYR A 34 9.543 7.554 -4.150 1.00 0.00 O ATOM 0 H TYR A 34 1.758 7.889 -1.806 1.00 0.00 H new ATOM 0 HA TYR A 34 3.194 8.243 -4.311 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.956 8.980 -2.041 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.001 7.314 -1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.089 8.077 -4.972 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.361 7.569 -0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.448 7.894 -5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.712 7.406 -1.649 1.00 0.00 H new ATOM 0 HH TYR A 34 10.139 7.698 -3.385 1.00 0.00 H new ATOM 551 N ILE A 35 2.941 5.156 -3.156 1.00 0.00 N ATOM 552 CA ILE A 35 3.113 3.730 -3.603 1.00 0.00 C ATOM 553 C ILE A 35 2.249 3.499 -4.854 1.00 0.00 C ATOM 554 O ILE A 35 2.735 3.025 -5.864 1.00 0.00 O ATOM 555 CB ILE A 35 2.658 2.851 -2.417 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.690 2.972 -1.294 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.536 1.382 -2.840 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.017 2.724 0.055 1.00 0.00 C ATOM 0 H ILE A 35 2.515 5.277 -2.237 1.00 0.00 H new ATOM 0 HA ILE A 35 4.142 3.488 -3.869 1.00 0.00 H new ATOM 0 HB ILE A 35 1.680 3.192 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.494 2.252 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.142 3.964 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.214 0.783 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.803 1.294 -3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.503 1.023 -3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.756 2.811 0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.228 3.461 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.586 1.723 0.068 1.00 0.00 H new ATOM 570 N VAL A 36 0.982 3.859 -4.807 1.00 0.00 N ATOM 571 CA VAL A 36 0.114 3.679 -6.027 1.00 0.00 C ATOM 572 C VAL A 36 0.682 4.536 -7.170 1.00 0.00 C ATOM 573 O VAL A 36 0.735 4.100 -8.305 1.00 0.00 O ATOM 574 CB VAL A 36 -1.303 4.146 -5.647 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.228 4.051 -6.866 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.850 3.251 -4.530 1.00 0.00 C ATOM 0 H VAL A 36 0.517 4.262 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 36 0.088 2.641 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.259 5.180 -5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.229 4.383 -6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.843 4.685 -7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.271 3.018 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.853 3.580 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.888 2.218 -4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.199 3.318 -3.659 1.00 0.00 H new ATOM 586 N LEU A 37 1.133 5.744 -6.879 1.00 0.00 N ATOM 587 CA LEU A 37 1.724 6.603 -7.970 1.00 0.00 C ATOM 588 C LEU A 37 2.900 5.850 -8.616 1.00 0.00 C ATOM 589 O LEU A 37 3.057 5.854 -9.822 1.00 0.00 O ATOM 590 CB LEU A 37 2.219 7.898 -7.307 1.00 0.00 C ATOM 591 CG LEU A 37 2.531 8.937 -8.385 1.00 0.00 C ATOM 592 CD1 LEU A 37 1.304 9.820 -8.614 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.706 9.806 -7.930 1.00 0.00 C ATOM 0 H LEU A 37 1.118 6.166 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 37 0.991 6.831 -8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.461 8.283 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.110 7.697 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 37 2.791 8.429 -9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.527 10.560 -9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.466 9.202 -8.937 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.043 10.328 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.929 10.547 -8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.445 10.313 -7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.582 9.178 -7.767 1.00 0.00 H new ATOM 605 N LEU A 38 3.707 5.167 -7.826 1.00 0.00 N ATOM 606 CA LEU A 38 4.830 4.380 -8.436 1.00 0.00 C ATOM 607 C LEU A 38 4.216 3.223 -9.245 1.00 0.00 C ATOM 608 O LEU A 38 4.682 2.892 -10.319 1.00 0.00 O ATOM 609 CB LEU A 38 5.681 3.830 -7.279 1.00 0.00 C ATOM 610 CG LEU A 38 6.304 4.991 -6.503 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.629 4.536 -5.078 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.592 5.435 -7.202 1.00 0.00 C ATOM 0 H LEU A 38 3.638 5.122 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 38 5.448 4.989 -9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.063 3.226 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.463 3.178 -7.668 1.00 0.00 H new ATOM 0 HG LEU A 38 5.602 5.824 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.073 5.363 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.713 4.216 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.332 3.704 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.038 6.263 -6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.294 4.601 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.362 5.757 -8.218 1.00 0.00 H new ATOM 624 N ILE A 39 3.156 2.617 -8.738 1.00 0.00 N ATOM 625 CA ILE A 39 2.494 1.492 -9.489 1.00 0.00 C ATOM 626 C ILE A 39 1.896 2.032 -10.796 1.00 0.00 C ATOM 627 O ILE A 39 2.158 1.506 -11.862 1.00 0.00 O ATOM 628 CB ILE A 39 1.384 0.953 -8.554 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.031 0.302 -7.315 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.492 -0.064 -9.286 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.724 -1.015 -7.692 1.00 0.00 C ATOM 0 H ILE A 39 2.725 2.852 -7.844 1.00 0.00 H new ATOM 0 HA ILE A 39 3.196 0.702 -9.754 1.00 0.00 H new ATOM 0 HB ILE A 39 0.754 1.785 -8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.756 0.987 -6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.270 0.114 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.279 -0.427 -8.607 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.023 0.416 -10.145 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.100 -0.903 -9.626 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.174 -1.457 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.991 -1.705 -8.109 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.500 -0.819 -8.432 1.00 0.00 H new ATOM 643 N VAL A 40 1.099 3.080 -10.729 1.00 0.00 N ATOM 644 CA VAL A 40 0.504 3.635 -11.997 1.00 0.00 C ATOM 645 C VAL A 40 1.631 4.086 -12.953 1.00 0.00 C ATOM 646 O VAL A 40 1.505 3.969 -14.157 1.00 0.00 O ATOM 647 CB VAL A 40 -0.432 4.809 -11.589 1.00 0.00 C ATOM 648 CG1 VAL A 40 0.353 6.100 -11.321 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.440 5.060 -12.712 1.00 0.00 C ATOM 0 H VAL A 40 0.839 3.567 -9.871 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.075 2.884 -12.534 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.941 4.528 -10.667 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.338 6.894 -11.039 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.063 5.933 -10.511 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.893 6.391 -12.222 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.099 5.882 -12.432 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.908 5.317 -13.628 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.032 4.160 -12.877 1.00 0.00 H new ATOM 659 N ASN A 41 2.731 4.593 -12.426 1.00 0.00 N ATOM 660 CA ASN A 41 3.852 5.035 -13.328 1.00 0.00 C ATOM 661 C ASN A 41 4.362 3.851 -14.161 1.00 0.00 C ATOM 662 O ASN A 41 4.704 4.013 -15.318 1.00 0.00 O ATOM 663 CB ASN A 41 4.975 5.564 -12.420 1.00 0.00 C ATOM 664 CG ASN A 41 4.764 7.062 -12.163 1.00 0.00 C ATOM 665 OD1 ASN A 41 4.648 7.834 -13.095 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.711 7.515 -10.934 1.00 0.00 N ATOM 0 H ASN A 41 2.898 4.718 -11.428 1.00 0.00 H new ATOM 0 HA ASN A 41 3.512 5.806 -14.020 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.980 5.020 -11.476 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.945 5.398 -12.889 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.573 8.511 -10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.808 6.871 -10.149 1.00 0.00 H new ATOM 673 N GLY A 42 4.421 2.660 -13.594 1.00 0.00 N ATOM 674 CA GLY A 42 4.918 1.487 -14.387 1.00 0.00 C ATOM 675 C GLY A 42 4.639 0.173 -13.640 1.00 0.00 C ATOM 676 O GLY A 42 4.036 -0.735 -14.182 1.00 0.00 O ATOM 0 H GLY A 42 4.150 2.455 -12.632 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.431 1.468 -15.362 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.988 1.590 -14.567 1.00 0.00 H new ATOM 680 N GLY A 43 5.074 0.062 -12.403 1.00 0.00 N ATOM 681 CA GLY A 43 4.833 -1.194 -11.636 1.00 0.00 C ATOM 682 C GLY A 43 6.131 -2.009 -11.562 1.00 0.00 C ATOM 683 O GLY A 43 6.146 -3.186 -11.868 1.00 0.00 O ATOM 0 H GLY A 43 5.583 0.788 -11.898 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.483 -0.957 -10.631 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.050 -1.781 -12.116 1.00 0.00 H new ATOM 687 N THR A 44 7.221 -1.397 -11.143 1.00 0.00 N ATOM 688 CA THR A 44 8.510 -2.142 -11.034 1.00 0.00 C ATOM 689 C THR A 44 8.929 -2.193 -9.557 1.00 0.00 C ATOM 690 O THR A 44 9.327 -1.195 -8.993 1.00 0.00 O ATOM 691 CB THR A 44 9.506 -1.333 -11.867 1.00 0.00 C ATOM 692 OG1 THR A 44 9.267 0.056 -11.667 1.00 0.00 O ATOM 693 CG2 THR A 44 9.328 -1.678 -13.348 1.00 0.00 C ATOM 0 H THR A 44 7.267 -0.414 -10.874 1.00 0.00 H new ATOM 0 HA THR A 44 8.448 -3.170 -11.390 1.00 0.00 H new ATOM 0 HB THR A 44 10.524 -1.574 -11.560 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.120 0.229 -10.714 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.037 -1.103 -13.943 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.508 -2.742 -13.498 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.312 -1.435 -13.659 1.00 0.00 H new ATOM 701 N VAL A 45 8.811 -3.342 -8.914 1.00 0.00 N ATOM 702 CA VAL A 45 9.174 -3.431 -7.446 1.00 0.00 C ATOM 703 C VAL A 45 10.561 -2.815 -7.175 1.00 0.00 C ATOM 704 O VAL A 45 10.765 -2.187 -6.154 1.00 0.00 O ATOM 705 CB VAL A 45 9.162 -4.929 -7.068 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.578 -5.107 -5.602 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.746 -5.491 -7.249 1.00 0.00 C ATOM 0 H VAL A 45 8.484 -4.212 -9.333 1.00 0.00 H new ATOM 0 HA VAL A 45 8.459 -2.870 -6.844 1.00 0.00 H new ATOM 0 HB VAL A 45 9.863 -5.459 -7.713 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.566 -6.167 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.583 -4.710 -5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.881 -4.571 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.737 -6.548 -6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.054 -4.948 -6.605 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.439 -5.377 -8.289 1.00 0.00 H new ATOM 717 N GLU A 46 11.509 -2.978 -8.071 1.00 0.00 N ATOM 718 CA GLU A 46 12.866 -2.375 -7.816 1.00 0.00 C ATOM 719 C GLU A 46 12.756 -0.847 -7.808 1.00 0.00 C ATOM 720 O GLU A 46 13.154 -0.204 -6.855 1.00 0.00 O ATOM 721 CB GLU A 46 13.788 -2.844 -8.954 1.00 0.00 C ATOM 722 CG GLU A 46 15.229 -2.917 -8.446 1.00 0.00 C ATOM 723 CD GLU A 46 15.844 -1.517 -8.447 1.00 0.00 C ATOM 724 OE1 GLU A 46 15.651 -0.808 -9.421 1.00 0.00 O ATOM 725 OE2 GLU A 46 16.498 -1.177 -7.475 1.00 0.00 O ATOM 0 H GLU A 46 11.410 -3.489 -8.948 1.00 0.00 H new ATOM 0 HA GLU A 46 13.264 -2.687 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.469 -3.821 -9.316 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.723 -2.156 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.250 -3.334 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.815 -3.583 -9.079 1.00 0.00 H new ATOM 732 N SER A 47 12.199 -0.258 -8.845 1.00 0.00 N ATOM 733 CA SER A 47 12.055 1.241 -8.849 1.00 0.00 C ATOM 734 C SER A 47 11.013 1.660 -7.801 1.00 0.00 C ATOM 735 O SER A 47 11.156 2.686 -7.163 1.00 0.00 O ATOM 736 CB SER A 47 11.593 1.643 -10.257 1.00 0.00 C ATOM 737 OG SER A 47 11.970 0.633 -11.182 1.00 0.00 O ATOM 0 H SER A 47 11.844 -0.737 -9.673 1.00 0.00 H new ATOM 0 HA SER A 47 12.996 1.732 -8.602 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.512 1.780 -10.272 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.039 2.596 -10.540 1.00 0.00 H new ATOM 0 HG SER A 47 11.675 0.886 -12.081 1.00 0.00 H new ATOM 743 N VAL A 48 9.970 0.873 -7.605 1.00 0.00 N ATOM 744 CA VAL A 48 8.937 1.247 -6.576 1.00 0.00 C ATOM 745 C VAL A 48 9.520 1.083 -5.164 1.00 0.00 C ATOM 746 O VAL A 48 9.231 1.876 -4.286 1.00 0.00 O ATOM 747 CB VAL A 48 7.733 0.306 -6.783 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.620 0.666 -5.794 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.204 0.455 -8.216 1.00 0.00 C ATOM 0 H VAL A 48 9.793 0.002 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 48 8.630 2.287 -6.685 1.00 0.00 H new ATOM 0 HB VAL A 48 8.050 -0.723 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.771 -0.001 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.991 0.559 -4.775 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.305 1.696 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.353 -0.211 -8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.891 1.486 -8.383 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.992 0.196 -8.923 1.00 0.00 H new ATOM 759 N VAL A 49 10.353 0.085 -4.932 1.00 0.00 N ATOM 760 CA VAL A 49 10.950 -0.066 -3.557 1.00 0.00 C ATOM 761 C VAL A 49 12.048 0.996 -3.374 1.00 0.00 C ATOM 762 O VAL A 49 12.168 1.587 -2.317 1.00 0.00 O ATOM 763 CB VAL A 49 11.523 -1.497 -3.468 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.316 -1.673 -2.167 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.369 -2.502 -3.483 1.00 0.00 C ATOM 0 H VAL A 49 10.639 -0.615 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 49 10.212 0.080 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 49 12.185 -1.666 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.714 -2.687 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.139 -0.958 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.659 -1.499 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.768 -3.515 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.714 -2.317 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.802 -2.392 -4.408 1.00 0.00 H new ATOM 775 N ASP A 50 12.834 1.260 -4.399 1.00 0.00 N ATOM 776 CA ASP A 50 13.903 2.311 -4.262 1.00 0.00 C ATOM 777 C ASP A 50 13.251 3.697 -4.114 1.00 0.00 C ATOM 778 O ASP A 50 13.739 4.534 -3.380 1.00 0.00 O ATOM 779 CB ASP A 50 14.753 2.255 -5.541 1.00 0.00 C ATOM 780 CG ASP A 50 16.159 2.778 -5.242 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.289 3.965 -4.994 1.00 0.00 O ATOM 782 OD2 ASP A 50 17.083 1.982 -5.266 1.00 0.00 O ATOM 0 H ASP A 50 12.784 0.802 -5.309 1.00 0.00 H new ATOM 0 HA ASP A 50 14.521 2.134 -3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.805 1.231 -5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.290 2.854 -6.325 1.00 0.00 H new ATOM 787 N GLU A 51 12.148 3.946 -4.797 1.00 0.00 N ATOM 788 CA GLU A 51 11.483 5.294 -4.662 1.00 0.00 C ATOM 789 C GLU A 51 10.881 5.428 -3.258 1.00 0.00 C ATOM 790 O GLU A 51 11.011 6.459 -2.623 1.00 0.00 O ATOM 791 CB GLU A 51 10.372 5.375 -5.730 1.00 0.00 C ATOM 792 CG GLU A 51 10.818 6.289 -6.875 1.00 0.00 C ATOM 793 CD GLU A 51 10.995 7.717 -6.353 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.018 8.445 -6.337 1.00 0.00 O ATOM 795 OE2 GLU A 51 12.106 8.056 -5.978 1.00 0.00 O ATOM 0 H GLU A 51 11.688 3.290 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 51 12.202 6.100 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.150 4.379 -6.113 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.454 5.757 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.755 5.927 -7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.079 6.273 -7.676 1.00 0.00 H new ATOM 802 N LEU A 52 10.242 4.392 -2.759 1.00 0.00 N ATOM 803 CA LEU A 52 9.657 4.483 -1.376 1.00 0.00 C ATOM 804 C LEU A 52 10.794 4.501 -0.349 1.00 0.00 C ATOM 805 O LEU A 52 10.747 5.244 0.613 1.00 0.00 O ATOM 806 CB LEU A 52 8.770 3.244 -1.177 1.00 0.00 C ATOM 807 CG LEU A 52 7.550 3.339 -2.093 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.871 1.971 -2.183 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.563 4.361 -1.521 1.00 0.00 C ATOM 0 H LEU A 52 10.101 3.503 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 52 9.069 5.392 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.336 2.339 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.453 3.174 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 52 7.866 3.654 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.001 2.039 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.573 1.242 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.554 1.656 -1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.692 4.430 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.248 4.045 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.046 5.336 -1.456 1.00 0.00 H new ATOM 821 N ALA A 53 11.826 3.709 -0.552 1.00 0.00 N ATOM 822 CA ALA A 53 12.971 3.720 0.424 1.00 0.00 C ATOM 823 C ALA A 53 13.642 5.102 0.408 1.00 0.00 C ATOM 824 O ALA A 53 14.033 5.615 1.439 1.00 0.00 O ATOM 825 CB ALA A 53 13.963 2.639 -0.034 1.00 0.00 C ATOM 0 H ALA A 53 11.926 3.066 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 53 12.630 3.520 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.813 2.612 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.468 1.668 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.313 2.869 -1.040 1.00 0.00 H new ATOM 831 N SER A 54 13.773 5.718 -0.754 1.00 0.00 N ATOM 832 CA SER A 54 14.419 7.081 -0.809 1.00 0.00 C ATOM 833 C SER A 54 13.654 8.076 0.084 1.00 0.00 C ATOM 834 O SER A 54 14.248 8.959 0.675 1.00 0.00 O ATOM 835 CB SER A 54 14.364 7.540 -2.274 1.00 0.00 C ATOM 836 OG SER A 54 15.296 6.785 -3.037 1.00 0.00 O ATOM 0 H SER A 54 13.466 5.344 -1.652 1.00 0.00 H new ATOM 0 HA SER A 54 15.447 7.036 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.358 7.407 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.596 8.603 -2.343 1.00 0.00 H new ATOM 0 HG SER A 54 14.906 5.915 -3.262 1.00 0.00 H new ATOM 842 N LEU A 55 12.347 7.942 0.196 1.00 0.00 N ATOM 843 CA LEU A 55 11.570 8.891 1.066 1.00 0.00 C ATOM 844 C LEU A 55 11.340 8.258 2.446 1.00 0.00 C ATOM 845 O LEU A 55 11.507 8.905 3.463 1.00 0.00 O ATOM 846 CB LEU A 55 10.230 9.134 0.350 1.00 0.00 C ATOM 847 CG LEU A 55 10.191 10.560 -0.205 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.391 10.580 -1.509 1.00 0.00 C ATOM 849 CD2 LEU A 55 9.524 11.486 0.815 1.00 0.00 C ATOM 0 H LEU A 55 11.792 7.226 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 55 12.104 9.829 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.104 8.415 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.403 8.981 1.044 1.00 0.00 H new ATOM 0 HG LEU A 55 11.208 10.902 -0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.364 11.596 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.865 9.921 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.374 10.238 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.496 12.502 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.507 11.143 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.093 11.473 1.745 1.00 0.00 H new ATOM 861 N PHE A 56 10.972 6.996 2.491 1.00 0.00 N ATOM 862 CA PHE A 56 10.751 6.326 3.809 1.00 0.00 C ATOM 863 C PHE A 56 11.935 5.395 4.113 1.00 0.00 C ATOM 864 O PHE A 56 11.826 4.189 3.986 1.00 0.00 O ATOM 865 CB PHE A 56 9.453 5.521 3.661 1.00 0.00 C ATOM 866 CG PHE A 56 8.306 6.447 3.317 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.067 7.589 4.093 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.480 6.160 2.223 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.005 8.443 3.773 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.419 7.014 1.904 1.00 0.00 C ATOM 871 CZ PHE A 56 6.181 8.156 2.679 1.00 0.00 C ATOM 0 H PHE A 56 10.817 6.406 1.673 1.00 0.00 H new ATOM 0 HA PHE A 56 10.675 7.042 4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.569 4.768 2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.237 4.990 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.702 7.810 4.938 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.662 5.279 1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.822 9.324 4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.783 6.793 1.060 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.362 8.815 2.432 1.00 0.00 H new ATOM 881 N ASP A 57 13.065 5.941 4.518 1.00 0.00 N ATOM 882 CA ASP A 57 14.247 5.067 4.829 1.00 0.00 C ATOM 883 C ASP A 57 14.388 4.838 6.351 1.00 0.00 C ATOM 884 O ASP A 57 15.477 4.590 6.837 1.00 0.00 O ATOM 885 CB ASP A 57 15.481 5.798 4.266 1.00 0.00 C ATOM 886 CG ASP A 57 15.730 7.107 5.027 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.161 7.035 6.166 1.00 0.00 O ATOM 888 OD2 ASP A 57 15.482 8.157 4.456 1.00 0.00 O ATOM 0 H ASP A 57 13.217 6.942 4.645 1.00 0.00 H new ATOM 0 HA ASP A 57 14.132 4.080 4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.357 5.155 4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.333 6.010 3.207 1.00 0.00 H new ATOM 893 N SER A 58 13.307 4.905 7.107 1.00 0.00 N ATOM 894 CA SER A 58 13.417 4.673 8.587 1.00 0.00 C ATOM 895 C SER A 58 13.045 3.218 8.925 1.00 0.00 C ATOM 896 O SER A 58 13.661 2.603 9.776 1.00 0.00 O ATOM 897 CB SER A 58 12.430 5.646 9.244 1.00 0.00 C ATOM 898 OG SER A 58 12.001 5.112 10.489 1.00 0.00 O ATOM 0 H SER A 58 12.367 5.108 6.766 1.00 0.00 H new ATOM 0 HA SER A 58 14.433 4.839 8.945 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.904 6.616 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.573 5.809 8.591 1.00 0.00 H new ATOM 0 HG SER A 58 11.371 5.733 10.912 1.00 0.00 H new ATOM 904 N VAL A 59 12.051 2.660 8.265 1.00 0.00 N ATOM 905 CA VAL A 59 11.661 1.236 8.559 1.00 0.00 C ATOM 906 C VAL A 59 12.500 0.267 7.708 1.00 0.00 C ATOM 907 O VAL A 59 13.023 0.636 6.674 1.00 0.00 O ATOM 908 CB VAL A 59 10.159 1.113 8.225 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.920 1.306 6.716 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.665 -0.271 8.651 1.00 0.00 C ATOM 0 H VAL A 59 11.498 3.122 7.543 1.00 0.00 H new ATOM 0 HA VAL A 59 11.843 0.980 9.603 1.00 0.00 H new ATOM 0 HB VAL A 59 9.611 1.887 8.762 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.855 1.215 6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.268 2.295 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.468 0.545 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.604 -0.366 8.419 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.224 -1.038 8.115 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.814 -0.396 9.723 1.00 0.00 H new ATOM 920 N SER A 60 12.639 -0.969 8.141 1.00 0.00 N ATOM 921 CA SER A 60 13.463 -1.961 7.350 1.00 0.00 C ATOM 922 C SER A 60 12.997 -2.020 5.882 1.00 0.00 C ATOM 923 O SER A 60 11.815 -1.993 5.602 1.00 0.00 O ATOM 924 CB SER A 60 13.259 -3.331 8.015 1.00 0.00 C ATOM 925 OG SER A 60 13.092 -3.152 9.416 1.00 0.00 O ATOM 0 H SER A 60 12.224 -1.335 8.998 1.00 0.00 H new ATOM 0 HA SER A 60 14.513 -1.667 7.347 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.385 -3.827 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.116 -3.975 7.818 1.00 0.00 H new ATOM 0 HG SER A 60 12.960 -4.024 9.844 1.00 0.00 H new ATOM 931 N ARG A 61 13.921 -2.108 4.942 1.00 0.00 N ATOM 932 CA ARG A 61 13.524 -2.174 3.486 1.00 0.00 C ATOM 933 C ARG A 61 12.508 -3.303 3.248 1.00 0.00 C ATOM 934 O ARG A 61 11.618 -3.173 2.428 1.00 0.00 O ATOM 935 CB ARG A 61 14.810 -2.457 2.690 1.00 0.00 C ATOM 936 CG ARG A 61 15.444 -1.133 2.257 1.00 0.00 C ATOM 937 CD ARG A 61 15.952 -0.382 3.489 1.00 0.00 C ATOM 938 NE ARG A 61 16.546 0.875 2.955 1.00 0.00 N ATOM 939 CZ ARG A 61 17.828 1.091 3.068 1.00 0.00 C ATOM 940 NH1 ARG A 61 18.300 1.675 4.137 1.00 0.00 N ATOM 941 NH2 ARG A 61 18.639 0.723 2.114 1.00 0.00 N ATOM 0 H ARG A 61 14.925 -2.137 5.117 1.00 0.00 H new ATOM 0 HA ARG A 61 13.057 -1.240 3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.511 -3.025 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.582 -3.067 1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 61 16.267 -1.320 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.713 -0.525 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.140 -0.171 4.185 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.693 -0.969 4.032 1.00 0.00 H new ATOM 0 HE ARG A 61 15.950 1.567 2.501 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.667 1.962 4.883 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.302 1.844 4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.271 0.266 1.280 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.641 0.892 2.203 1.00 0.00 H new ATOM 955 N ASP A 62 12.630 -4.410 3.953 1.00 0.00 N ATOM 956 CA ASP A 62 11.651 -5.540 3.743 1.00 0.00 C ATOM 957 C ASP A 62 10.216 -5.056 4.001 1.00 0.00 C ATOM 958 O ASP A 62 9.303 -5.412 3.280 1.00 0.00 O ATOM 959 CB ASP A 62 12.024 -6.646 4.745 1.00 0.00 C ATOM 960 CG ASP A 62 13.384 -7.236 4.369 1.00 0.00 C ATOM 961 OD1 ASP A 62 14.303 -6.464 4.150 1.00 0.00 O ATOM 962 OD2 ASP A 62 13.485 -8.451 4.308 1.00 0.00 O ATOM 0 H ASP A 62 13.351 -4.581 4.654 1.00 0.00 H new ATOM 0 HA ASP A 62 11.697 -5.908 2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.059 -6.239 5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.263 -7.427 4.741 1.00 0.00 H new ATOM 967 N THR A 63 10.010 -4.241 5.014 1.00 0.00 N ATOM 968 CA THR A 63 8.616 -3.737 5.289 1.00 0.00 C ATOM 969 C THR A 63 8.116 -2.926 4.084 1.00 0.00 C ATOM 970 O THR A 63 6.973 -3.051 3.682 1.00 0.00 O ATOM 971 CB THR A 63 8.702 -2.850 6.544 1.00 0.00 C ATOM 972 OG1 THR A 63 9.151 -3.634 7.641 1.00 0.00 O ATOM 973 CG2 THR A 63 7.323 -2.265 6.864 1.00 0.00 C ATOM 0 H THR A 63 10.731 -3.907 5.653 1.00 0.00 H new ATOM 0 HA THR A 63 7.917 -4.558 5.451 1.00 0.00 H new ATOM 0 HB THR A 63 9.402 -2.034 6.363 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.209 -3.073 8.442 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.391 -1.638 7.753 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.978 -1.664 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.617 -3.076 7.045 1.00 0.00 H new ATOM 981 N LEU A 64 8.961 -2.107 3.495 1.00 0.00 N ATOM 982 CA LEU A 64 8.511 -1.306 2.303 1.00 0.00 C ATOM 983 C LEU A 64 8.174 -2.268 1.160 1.00 0.00 C ATOM 984 O LEU A 64 7.113 -2.192 0.570 1.00 0.00 O ATOM 985 CB LEU A 64 9.686 -0.397 1.895 1.00 0.00 C ATOM 986 CG LEU A 64 9.941 0.661 2.985 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.332 0.454 3.593 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.865 2.064 2.370 1.00 0.00 C ATOM 0 H LEU A 64 9.929 -1.959 3.782 1.00 0.00 H new ATOM 0 HA LEU A 64 7.629 -0.708 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.583 -0.996 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.465 0.093 0.947 1.00 0.00 H new ATOM 0 HG LEU A 64 9.184 0.560 3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.508 1.205 4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.391 -0.541 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.088 0.550 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.046 2.811 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.619 2.160 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.876 2.220 1.940 1.00 0.00 H new ATOM 1000 N ALA A 65 9.068 -3.185 0.850 1.00 0.00 N ATOM 1001 CA ALA A 65 8.781 -4.170 -0.259 1.00 0.00 C ATOM 1002 C ALA A 65 7.451 -4.903 0.008 1.00 0.00 C ATOM 1003 O ALA A 65 6.727 -5.227 -0.915 1.00 0.00 O ATOM 1004 CB ALA A 65 9.942 -5.176 -0.267 1.00 0.00 C ATOM 0 H ALA A 65 9.973 -3.296 1.308 1.00 0.00 H new ATOM 0 HA ALA A 65 8.693 -3.661 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.780 -5.912 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.879 -4.649 -0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.992 -5.682 0.697 1.00 0.00 H new ATOM 1010 N ASN A 66 7.121 -5.166 1.260 1.00 0.00 N ATOM 1011 CA ASN A 66 5.826 -5.878 1.556 1.00 0.00 C ATOM 1012 C ASN A 66 4.642 -5.057 1.025 1.00 0.00 C ATOM 1013 O ASN A 66 3.727 -5.602 0.435 1.00 0.00 O ATOM 1014 CB ASN A 66 5.730 -6.014 3.084 1.00 0.00 C ATOM 1015 CG ASN A 66 6.512 -7.254 3.538 1.00 0.00 C ATOM 1016 OD1 ASN A 66 6.639 -8.206 2.794 1.00 0.00 O ATOM 1017 ND2 ASN A 66 7.047 -7.289 4.734 1.00 0.00 N ATOM 0 H ASN A 66 7.682 -4.923 2.076 1.00 0.00 H new ATOM 0 HA ASN A 66 5.799 -6.856 1.075 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.131 -5.122 3.565 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.686 -6.098 3.387 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.567 -8.113 5.036 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.943 -6.492 5.363 1.00 0.00 H new ATOM 1024 N VAL A 67 4.650 -3.750 1.213 1.00 0.00 N ATOM 1025 CA VAL A 67 3.505 -2.925 0.686 1.00 0.00 C ATOM 1026 C VAL A 67 3.548 -2.907 -0.852 1.00 0.00 C ATOM 1027 O VAL A 67 2.520 -2.965 -1.501 1.00 0.00 O ATOM 1028 CB VAL A 67 3.670 -1.505 1.250 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.498 -0.637 0.785 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.683 -1.560 2.784 1.00 0.00 C ATOM 0 H VAL A 67 5.382 -3.230 1.697 1.00 0.00 H new ATOM 0 HA VAL A 67 2.544 -3.341 0.989 1.00 0.00 H new ATOM 0 HB VAL A 67 4.608 -1.079 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.612 0.371 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.484 -0.598 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.563 -1.066 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.800 -0.553 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.745 -1.985 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.513 -2.182 3.119 1.00 0.00 H new ATOM 1040 N VAL A 68 4.724 -2.848 -1.447 1.00 0.00 N ATOM 1041 CA VAL A 68 4.789 -2.861 -2.951 1.00 0.00 C ATOM 1042 C VAL A 68 4.298 -4.226 -3.469 1.00 0.00 C ATOM 1043 O VAL A 68 3.659 -4.302 -4.501 1.00 0.00 O ATOM 1044 CB VAL A 68 6.263 -2.633 -3.337 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.407 -2.642 -4.860 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.728 -1.279 -2.791 1.00 0.00 C ATOM 0 H VAL A 68 5.623 -2.793 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 68 4.158 -2.087 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 68 6.874 -3.430 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.451 -2.480 -5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.077 -3.604 -5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.796 -1.848 -5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.771 -1.116 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.114 -0.485 -3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.631 -1.272 -1.705 1.00 0.00 H new ATOM 1056 N GLN A 69 4.584 -5.307 -2.761 1.00 0.00 N ATOM 1057 CA GLN A 69 4.111 -6.656 -3.239 1.00 0.00 C ATOM 1058 C GLN A 69 2.577 -6.702 -3.259 1.00 0.00 C ATOM 1059 O GLN A 69 1.987 -7.173 -4.214 1.00 0.00 O ATOM 1060 CB GLN A 69 4.660 -7.699 -2.250 1.00 0.00 C ATOM 1061 CG GLN A 69 6.125 -7.994 -2.578 1.00 0.00 C ATOM 1062 CD GLN A 69 6.204 -9.205 -3.516 1.00 0.00 C ATOM 1063 OE1 GLN A 69 6.193 -10.333 -3.066 1.00 0.00 O ATOM 1064 NE2 GLN A 69 6.286 -9.024 -4.813 1.00 0.00 N ATOM 0 H GLN A 69 5.114 -5.313 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 69 4.463 -6.856 -4.251 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.573 -7.328 -1.229 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.072 -8.615 -2.308 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.586 -7.125 -3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.681 -8.193 -1.662 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.296 -8.079 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.340 -9.828 -5.438 1.00 0.00 H new ATOM 1073 N THR A 70 1.923 -6.217 -2.223 1.00 0.00 N ATOM 1074 CA THR A 70 0.414 -6.249 -2.225 1.00 0.00 C ATOM 1075 C THR A 70 -0.142 -5.331 -3.329 1.00 0.00 C ATOM 1076 O THR A 70 -1.185 -5.612 -3.890 1.00 0.00 O ATOM 1077 CB THR A 70 -0.068 -5.803 -0.828 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.487 -5.858 -0.784 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.391 -4.376 -0.527 1.00 0.00 C ATOM 0 H THR A 70 2.354 -5.809 -1.393 1.00 0.00 H new ATOM 0 HA THR A 70 0.052 -7.255 -2.435 1.00 0.00 H new ATOM 0 HB THR A 70 0.359 -6.472 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.798 -5.577 0.102 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.040 -4.082 0.462 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.480 -4.331 -0.554 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.019 -3.697 -1.274 1.00 0.00 H new ATOM 1087 N ALA A 71 0.547 -4.258 -3.678 1.00 0.00 N ATOM 1088 CA ALA A 71 0.029 -3.376 -4.785 1.00 0.00 C ATOM 1089 C ALA A 71 0.185 -4.113 -6.126 1.00 0.00 C ATOM 1090 O ALA A 71 -0.667 -4.017 -6.989 1.00 0.00 O ATOM 1091 CB ALA A 71 0.873 -2.090 -4.783 1.00 0.00 C ATOM 0 H ALA A 71 1.426 -3.961 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.024 -3.134 -4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.525 -1.425 -5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.773 -1.591 -3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.920 -2.341 -4.954 1.00 0.00 H new ATOM 1097 N PHE A 72 1.259 -4.867 -6.304 1.00 0.00 N ATOM 1098 CA PHE A 72 1.434 -5.620 -7.595 1.00 0.00 C ATOM 1099 C PHE A 72 0.358 -6.708 -7.679 1.00 0.00 C ATOM 1100 O PHE A 72 -0.353 -6.808 -8.662 1.00 0.00 O ATOM 1101 CB PHE A 72 2.833 -6.262 -7.553 1.00 0.00 C ATOM 1102 CG PHE A 72 3.875 -5.275 -8.027 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.940 -3.990 -7.472 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.783 -5.651 -9.025 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.910 -3.086 -7.912 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.753 -4.744 -9.464 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.815 -3.463 -8.908 1.00 0.00 C ATOM 0 H PHE A 72 2.007 -4.990 -5.622 1.00 0.00 H new ATOM 0 HA PHE A 72 1.340 -4.966 -8.462 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.063 -6.585 -6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.852 -7.152 -8.182 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.240 -3.698 -6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.734 -6.640 -9.455 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.960 -2.096 -7.483 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.454 -5.033 -10.233 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.564 -2.763 -9.249 1.00 0.00 H new ATOM 1117 N PHE A 73 0.216 -7.517 -6.644 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.846 -8.584 -6.676 1.00 0.00 C ATOM 1119 C PHE A 73 -2.226 -7.920 -6.812 1.00 0.00 C ATOM 1120 O PHE A 73 -3.082 -8.408 -7.526 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.752 -9.350 -5.347 1.00 0.00 C ATOM 1122 CG PHE A 73 0.392 -10.333 -5.413 1.00 0.00 C ATOM 1123 CD1 PHE A 73 0.391 -11.347 -6.378 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.457 -10.230 -4.509 1.00 0.00 C ATOM 1125 CE1 PHE A 73 1.451 -12.259 -6.439 1.00 0.00 C ATOM 1126 CE2 PHE A 73 2.518 -11.141 -4.570 1.00 0.00 C ATOM 1127 CZ PHE A 73 2.515 -12.155 -5.535 1.00 0.00 C ATOM 0 H PHE A 73 0.779 -7.485 -5.794 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.708 -9.262 -7.518 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.600 -8.653 -4.523 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.687 -9.876 -5.151 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.429 -11.426 -7.077 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.460 -9.447 -3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 73 1.448 -13.042 -7.183 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.339 -11.062 -3.873 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.334 -12.858 -5.582 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.448 -6.803 -6.141 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.783 -6.115 -6.258 1.00 0.00 C ATOM 1139 C ALA A 74 -4.048 -5.741 -7.724 1.00 0.00 C ATOM 1140 O ALA A 74 -5.159 -5.866 -8.204 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.710 -4.845 -5.394 1.00 0.00 C ATOM 0 H ALA A 74 -1.773 -6.346 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.591 -6.765 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.659 -4.312 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.508 -5.120 -4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.911 -4.201 -5.761 1.00 0.00 H new ATOM 1147 N LEU A 75 -3.039 -5.286 -8.445 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.270 -4.917 -9.892 1.00 0.00 C ATOM 1149 C LEU A 75 -3.798 -6.135 -10.664 1.00 0.00 C ATOM 1150 O LEU A 75 -4.699 -6.014 -11.472 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.912 -4.471 -10.477 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.801 -2.938 -10.486 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -2.935 -2.332 -11.322 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -1.878 -2.403 -9.052 1.00 0.00 C ATOM 0 H LEU A 75 -2.086 -5.156 -8.105 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.006 -4.117 -9.973 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.099 -4.896 -9.888 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.804 -4.854 -11.492 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.844 -2.657 -10.926 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.847 -1.246 -11.322 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.870 -2.701 -12.346 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.896 -2.618 -10.894 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.799 -1.316 -9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.830 -2.692 -8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.060 -2.820 -8.464 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.255 -7.307 -10.412 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.758 -8.527 -11.136 1.00 0.00 C ATOM 1168 C GLU A 76 -5.161 -8.878 -10.626 1.00 0.00 C ATOM 1169 O GLU A 76 -6.037 -9.221 -11.400 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.773 -9.666 -10.831 1.00 0.00 C ATOM 1171 CG GLU A 76 -2.966 -10.795 -11.846 1.00 0.00 C ATOM 1172 CD GLU A 76 -2.264 -12.058 -11.344 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -1.147 -11.942 -10.869 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -2.857 -13.120 -11.443 1.00 0.00 O ATOM 0 H GLU A 76 -2.498 -7.472 -9.748 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.822 -8.357 -12.211 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.749 -9.296 -10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.935 -10.040 -9.820 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.029 -10.990 -11.991 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.561 -10.501 -12.814 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.392 -8.779 -9.333 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.762 -9.095 -8.795 1.00 0.00 C ATOM 1183 C ALA A 77 -7.755 -8.021 -9.257 1.00 0.00 C ATOM 1184 O ALA A 77 -8.882 -8.328 -9.603 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.652 -9.101 -7.262 1.00 0.00 C ATOM 0 H ALA A 77 -4.703 -8.497 -8.636 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.118 -10.060 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.626 -9.327 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.932 -9.859 -6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.319 -8.122 -6.917 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.349 -6.767 -9.285 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.297 -5.693 -9.751 1.00 0.00 C ATOM 1193 C LEU A 78 -8.591 -5.886 -11.248 1.00 0.00 C ATOM 1194 O LEU A 78 -9.711 -5.703 -11.688 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.597 -4.346 -9.516 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.640 -3.279 -9.180 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.172 -3.514 -7.765 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -7.992 -1.895 -9.258 1.00 0.00 C ATOM 0 H LEU A 78 -6.421 -6.445 -9.011 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.243 -5.734 -9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.878 -4.435 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.038 -4.055 -10.405 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.464 -3.337 -9.891 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.915 -2.754 -7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.631 -4.501 -7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.349 -3.455 -7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.733 -1.132 -9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.169 -1.838 -8.545 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.611 -1.728 -10.266 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.600 -6.262 -12.036 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.857 -6.468 -13.508 1.00 0.00 C ATOM 1212 C GLN A 79 -8.901 -7.580 -13.724 1.00 0.00 C ATOM 1213 O GLN A 79 -9.645 -7.546 -14.688 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.517 -6.872 -14.151 1.00 0.00 C ATOM 1215 CG GLN A 79 -6.411 -6.243 -15.543 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.954 -5.848 -15.818 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.373 -6.281 -16.794 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -4.329 -5.036 -14.998 1.00 0.00 N ATOM 0 H GLN A 79 -6.642 -6.432 -11.731 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.248 -5.555 -13.958 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.687 -6.542 -13.526 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.449 -7.957 -14.224 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.757 -6.948 -16.299 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.055 -5.366 -15.607 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.811 -4.669 -14.177 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.361 -4.772 -15.181 1.00 0.00 H new ATOM 1227 N GLN A 80 -8.972 -8.565 -12.847 1.00 0.00 N ATOM 1228 CA GLN A 80 -9.985 -9.661 -13.038 1.00 0.00 C ATOM 1229 C GLN A 80 -11.321 -9.279 -12.382 1.00 0.00 C ATOM 1230 O GLN A 80 -12.376 -9.551 -12.924 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.400 -10.914 -12.369 1.00 0.00 C ATOM 1232 CG GLN A 80 -8.079 -11.285 -13.046 1.00 0.00 C ATOM 1233 CD GLN A 80 -7.199 -12.062 -12.060 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -6.910 -11.580 -10.983 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -6.754 -13.254 -12.378 1.00 0.00 N ATOM 0 H GLN A 80 -8.381 -8.655 -12.020 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.182 -9.834 -14.096 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.237 -10.730 -11.307 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.105 -11.742 -12.445 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.270 -11.889 -13.933 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.563 -10.384 -13.378 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.993 -13.664 -13.281 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.168 -13.771 -11.722 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.290 -8.651 -11.226 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.566 -8.259 -10.556 1.00 0.00 C ATOM 1246 C GLY A 81 -12.442 -8.454 -9.037 1.00 0.00 C ATOM 1247 O GLY A 81 -12.920 -9.434 -8.497 1.00 0.00 O ATOM 0 H GLY A 81 -10.439 -8.396 -10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.799 -7.218 -10.780 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.389 -8.860 -10.942 1.00 0.00 H new ATOM 1251 N GLU A 82 -11.810 -7.530 -8.342 1.00 0.00 N ATOM 1252 CA GLU A 82 -11.669 -7.672 -6.860 1.00 0.00 C ATOM 1253 C GLU A 82 -12.259 -6.441 -6.155 1.00 0.00 C ATOM 1254 O GLU A 82 -12.494 -5.424 -6.780 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.163 -7.763 -6.612 1.00 0.00 C ATOM 1256 CG GLU A 82 -9.890 -8.762 -5.486 1.00 0.00 C ATOM 1257 CD GLU A 82 -8.667 -8.308 -4.685 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -8.567 -7.123 -4.416 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -7.852 -9.154 -4.356 1.00 0.00 O ATOM 0 H GLU A 82 -11.390 -6.690 -8.739 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.197 -8.544 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.652 -8.077 -7.522 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.768 -6.783 -6.346 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.759 -8.836 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.718 -9.755 -5.901 1.00 0.00 H new ATOM 1266 N SER A 83 -12.500 -6.517 -4.860 1.00 0.00 N ATOM 1267 CA SER A 83 -13.073 -5.340 -4.139 1.00 0.00 C ATOM 1268 C SER A 83 -12.055 -4.777 -3.137 1.00 0.00 C ATOM 1269 O SER A 83 -11.410 -5.521 -2.421 1.00 0.00 O ATOM 1270 CB SER A 83 -14.301 -5.870 -3.400 1.00 0.00 C ATOM 1271 OG SER A 83 -15.332 -6.146 -4.340 1.00 0.00 O ATOM 0 H SER A 83 -12.324 -7.338 -4.281 1.00 0.00 H new ATOM 0 HA SER A 83 -13.328 -4.533 -4.826 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.045 -6.774 -2.848 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.645 -5.137 -2.670 1.00 0.00 H new ATOM 0 HG SER A 83 -16.121 -6.488 -3.869 1.00 0.00 H new ATOM 1277 N ALA A 84 -11.906 -3.470 -3.075 1.00 0.00 N ATOM 1278 CA ALA A 84 -10.927 -2.873 -2.106 1.00 0.00 C ATOM 1279 C ALA A 84 -11.640 -2.388 -0.826 1.00 0.00 C ATOM 1280 O ALA A 84 -11.074 -2.440 0.250 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.274 -1.692 -2.842 1.00 0.00 C ATOM 0 H ALA A 84 -12.415 -2.798 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.187 -3.608 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.547 -1.212 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.771 -2.055 -3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.041 -0.970 -3.124 1.00 0.00 H new ATOM 1287 N GLU A 85 -12.873 -1.916 -0.919 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.588 -1.431 0.321 1.00 0.00 C ATOM 1289 C GLU A 85 -13.609 -2.527 1.398 1.00 0.00 C ATOM 1290 O GLU A 85 -13.468 -2.245 2.574 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.025 -1.084 -0.102 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.704 -0.276 1.005 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.451 -1.223 1.946 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -17.134 -2.103 1.448 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -16.326 -1.053 3.147 1.00 0.00 O ATOM 0 H GLU A 85 -13.407 -1.846 -1.785 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.079 -0.565 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.014 -0.511 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.588 -1.997 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.960 0.294 1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.398 0.444 0.571 1.00 0.00 H new ATOM 1302 N ASN A 86 -13.781 -3.773 1.011 1.00 0.00 N ATOM 1303 CA ASN A 86 -13.803 -4.879 2.040 1.00 0.00 C ATOM 1304 C ASN A 86 -12.497 -4.884 2.852 1.00 0.00 C ATOM 1305 O ASN A 86 -12.508 -5.162 4.036 1.00 0.00 O ATOM 1306 CB ASN A 86 -13.951 -6.201 1.268 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.438 -6.508 1.056 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.258 -6.182 1.891 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -15.829 -7.126 -0.033 1.00 0.00 N ATOM 0 H ASN A 86 -13.906 -4.073 0.044 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.625 -4.739 2.742 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.443 -6.131 0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.477 -7.012 1.821 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.818 -7.331 -0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.144 -7.402 -0.737 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.372 -4.572 2.234 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.082 -4.561 3.011 1.00 0.00 C ATOM 1318 C ILE A 87 -10.116 -3.429 4.056 1.00 0.00 C ATOM 1319 O ILE A 87 -9.622 -3.590 5.157 1.00 0.00 O ATOM 1320 CB ILE A 87 -8.946 -4.330 1.989 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -8.895 -5.495 0.984 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.599 -4.234 2.717 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.666 -6.824 1.717 1.00 0.00 C ATOM 0 H ILE A 87 -11.292 -4.330 1.246 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.928 -5.499 3.545 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.140 -3.399 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -9.827 -5.539 0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.095 -5.327 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.803 -4.071 1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.624 -3.402 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.411 -5.161 3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.632 -7.638 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.722 -6.782 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.481 -6.997 2.420 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.695 -2.287 3.730 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.744 -1.165 4.738 1.00 0.00 C ATOM 1337 C VAL A 88 -11.513 -1.614 5.992 1.00 0.00 C ATOM 1338 O VAL A 88 -11.157 -1.248 7.096 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.461 0.021 4.065 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.541 1.199 5.039 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.673 0.450 2.826 1.00 0.00 C ATOM 0 H VAL A 88 -11.127 -2.085 2.828 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.739 -0.879 5.050 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.468 -0.283 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.049 2.035 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.097 0.899 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.534 1.503 5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.177 1.289 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.668 0.751 3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.612 -0.384 2.127 1.00 0.00 H new ATOM 1351 N SER A 89 -12.560 -2.404 5.842 1.00 0.00 N ATOM 1352 CA SER A 89 -13.329 -2.863 7.060 1.00 0.00 C ATOM 1353 C SER A 89 -12.374 -3.565 8.038 1.00 0.00 C ATOM 1354 O SER A 89 -12.441 -3.351 9.234 1.00 0.00 O ATOM 1355 CB SER A 89 -14.404 -3.844 6.569 1.00 0.00 C ATOM 1356 OG SER A 89 -13.789 -5.077 6.221 1.00 0.00 O ATOM 0 H SER A 89 -12.912 -2.746 4.948 1.00 0.00 H new ATOM 0 HA SER A 89 -13.786 -2.021 7.580 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.150 -4.003 7.347 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.926 -3.428 5.707 1.00 0.00 H new ATOM 0 HG SER A 89 -13.085 -4.916 5.558 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.470 -4.383 7.538 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.498 -5.067 8.462 1.00 0.00 C ATOM 1364 C LYS A 90 -9.498 -4.037 9.014 1.00 0.00 C ATOM 1365 O LYS A 90 -9.087 -4.128 10.155 1.00 0.00 O ATOM 1366 CB LYS A 90 -9.767 -6.135 7.633 1.00 0.00 C ATOM 1367 CG LYS A 90 -10.777 -7.167 7.126 1.00 0.00 C ATOM 1368 CD LYS A 90 -10.888 -8.311 8.137 1.00 0.00 C ATOM 1369 CE LYS A 90 -9.788 -9.341 7.866 1.00 0.00 C ATOM 1370 NZ LYS A 90 -9.930 -10.348 8.954 1.00 0.00 N ATOM 0 H LYS A 90 -11.363 -4.604 6.548 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.010 -5.524 9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.254 -5.669 6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.005 -6.624 8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.751 -6.699 6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.463 -7.553 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.796 -7.924 9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.868 -8.782 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.909 -9.800 6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.801 -8.879 7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.209 -11.089 8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.803 -9.883 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.877 -10.776 8.910 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.114 -3.048 8.226 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.153 -2.018 8.750 1.00 0.00 C ATOM 1386 C ILE A 91 -8.868 -1.126 9.775 1.00 0.00 C ATOM 1387 O ILE A 91 -8.294 -0.759 10.783 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.679 -1.185 7.540 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -6.985 -2.093 6.509 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.693 -0.112 8.009 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -5.822 -2.848 7.165 1.00 0.00 C ATOM 0 H ILE A 91 -9.419 -2.913 7.262 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.301 -2.483 9.246 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.546 -0.713 7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.703 -2.803 6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.616 -1.494 5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.360 0.475 7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.183 0.543 8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.833 -0.589 8.479 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.339 -3.487 6.425 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.098 -2.133 7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.201 -3.462 7.982 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.118 -0.782 9.536 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.848 0.082 10.530 1.00 0.00 C ATOM 1405 C ARG A 92 -10.953 -0.649 11.874 1.00 0.00 C ATOM 1406 O ARG A 92 -10.813 -0.042 12.921 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.249 0.350 9.955 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.720 1.741 10.384 1.00 0.00 C ATOM 1409 CD ARG A 92 -12.226 2.782 9.376 1.00 0.00 C ATOM 1410 NE ARG A 92 -11.840 3.961 10.199 1.00 0.00 N ATOM 1411 CZ ARG A 92 -12.711 4.903 10.438 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -13.410 5.409 9.458 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -12.882 5.340 11.655 1.00 0.00 N ATOM 0 H ARG A 92 -10.655 -1.055 8.713 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.319 1.020 10.699 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.226 0.282 8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.949 -0.407 10.307 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.808 1.765 10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.340 1.974 11.379 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.378 2.406 8.803 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.006 3.039 8.659 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.895 4.033 10.576 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.275 5.068 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.091 6.145 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.335 4.945 12.420 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.563 6.076 11.842 1.00 0.00 H new ATOM 1427 N MET A 93 -11.181 -1.948 11.863 1.00 0.00 N ATOM 1428 CA MET A 93 -11.268 -2.692 13.169 1.00 0.00 C ATOM 1429 C MET A 93 -9.866 -2.818 13.776 1.00 0.00 C ATOM 1430 O MET A 93 -9.688 -2.655 14.969 1.00 0.00 O ATOM 1431 CB MET A 93 -11.847 -4.081 12.856 1.00 0.00 C ATOM 1432 CG MET A 93 -12.591 -4.611 14.083 1.00 0.00 C ATOM 1433 SD MET A 93 -14.128 -3.681 14.305 1.00 0.00 S ATOM 1434 CE MET A 93 -15.126 -5.042 14.956 1.00 0.00 C ATOM 0 H MET A 93 -11.308 -2.515 11.025 1.00 0.00 H new ATOM 0 HA MET A 93 -11.901 -2.170 13.886 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.525 -4.021 12.004 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.046 -4.767 12.579 1.00 0.00 H new ATOM 0 HG2 MET A 93 -12.810 -5.672 13.959 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.965 -4.516 14.970 1.00 0.00 H new ATOM 0 HE1 MET A 93 -16.134 -4.685 15.167 1.00 0.00 H new ATOM 0 HE2 MET A 93 -15.172 -5.844 14.220 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.674 -5.418 15.874 1.00 0.00 H new ATOM 1444 N MET A 94 -8.862 -3.084 12.964 1.00 0.00 N ATOM 1445 CA MET A 94 -7.468 -3.191 13.519 1.00 0.00 C ATOM 1446 C MET A 94 -6.972 -1.799 13.938 1.00 0.00 C ATOM 1447 O MET A 94 -6.304 -1.657 14.945 1.00 0.00 O ATOM 1448 CB MET A 94 -6.583 -3.761 12.400 1.00 0.00 C ATOM 1449 CG MET A 94 -5.330 -4.394 13.011 1.00 0.00 C ATOM 1450 SD MET A 94 -4.469 -5.366 11.751 1.00 0.00 S ATOM 1451 CE MET A 94 -3.621 -3.988 10.941 1.00 0.00 C ATOM 0 H MET A 94 -8.945 -3.229 11.958 1.00 0.00 H new ATOM 0 HA MET A 94 -7.438 -3.837 14.397 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.137 -4.505 11.827 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.302 -2.969 11.706 1.00 0.00 H new ATOM 0 HG2 MET A 94 -4.671 -3.618 13.400 1.00 0.00 H new ATOM 0 HG3 MET A 94 -5.605 -5.031 13.852 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.938 -4.375 10.185 1.00 0.00 H new ATOM 0 HE2 MET A 94 -4.355 -3.337 10.467 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.058 -3.421 11.682 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.304 -0.765 13.187 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.847 0.613 13.583 1.00 0.00 C ATOM 1463 C ASN A 95 -7.595 1.062 14.848 1.00 0.00 C ATOM 1464 O ASN A 95 -7.021 1.691 15.716 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.166 1.552 12.407 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.976 1.583 11.439 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.690 0.526 10.717 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.295 2.584 11.336 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.861 -0.814 12.334 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.779 0.627 13.802 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.062 1.211 11.888 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.375 2.556 12.776 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.513 3.409 11.895 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.505 2.599 10.690 1.00 0.00 H new