USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=15 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 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.4!) USER MOD Single : A 3 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 117:sc= 1.23 USER MOD Single : A 9 ASN : amide:sc= -1.01 K(o=-1,f=-2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 176:sc= -0.919! USER MOD Single : A 41 ASN :FLIP amide:sc= -2.47! C(o=-3.5!,f=-2.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 47 SER OG : rot -72:sc= 0.756 USER MOD Single : A 54 SER OG : rot 85:sc= 0.289 USER MOD Single : A 58 SER OG : rot -60:sc= 0.961 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0637 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 79 GLN : amide:sc= -3.41 X(o=-3.4,f=-2.9!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0218 K(o=-0.022,f=-1.7!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 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 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.742 F(o=-3.6!,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.432 6.138 -15.574 1.00 0.00 N ATOM 32 CA GLN A 3 -5.646 4.920 -14.723 1.00 0.00 C ATOM 33 C GLN A 3 -5.983 5.321 -13.274 1.00 0.00 C ATOM 34 O GLN A 3 -5.182 5.139 -12.375 1.00 0.00 O ATOM 35 CB GLN A 3 -4.322 4.146 -14.776 1.00 0.00 C ATOM 36 CG GLN A 3 -4.007 3.761 -16.225 1.00 0.00 C ATOM 37 CD GLN A 3 -5.087 2.808 -16.755 1.00 0.00 C ATOM 38 OE1 GLN A 3 -5.709 3.085 -17.762 1.00 0.00 O ATOM 39 NE2 GLN A 3 -5.342 1.689 -16.122 1.00 0.00 N ATOM 0 HA GLN A 3 -6.481 4.318 -15.083 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.516 4.756 -14.368 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.388 3.251 -14.158 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.961 4.655 -16.847 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.029 3.284 -16.280 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.823 1.452 -15.277 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.059 1.056 -16.475 1.00 0.00 H new ATOM 48 N GLU A 4 -7.162 5.862 -13.036 1.00 0.00 N ATOM 49 CA GLU A 4 -7.531 6.265 -11.637 1.00 0.00 C ATOM 50 C GLU A 4 -8.354 5.156 -10.963 1.00 0.00 C ATOM 51 O GLU A 4 -8.173 4.882 -9.791 1.00 0.00 O ATOM 52 CB GLU A 4 -8.359 7.549 -11.767 1.00 0.00 C ATOM 53 CG GLU A 4 -8.302 8.328 -10.451 1.00 0.00 C ATOM 54 CD GLU A 4 -8.374 9.828 -10.743 1.00 0.00 C ATOM 55 OE1 GLU A 4 -7.388 10.367 -11.219 1.00 0.00 O ATOM 56 OE2 GLU A 4 -9.413 10.412 -10.484 1.00 0.00 O ATOM 0 H GLU A 4 -7.876 6.039 -13.743 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.646 6.428 -11.021 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.974 8.162 -12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.392 7.305 -12.013 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.129 8.032 -9.805 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.381 8.094 -9.917 1.00 0.00 H new ATOM 63 N GLN A 5 -9.248 4.505 -11.684 1.00 0.00 N ATOM 64 CA GLN A 5 -10.062 3.401 -11.044 1.00 0.00 C ATOM 65 C GLN A 5 -9.121 2.375 -10.387 1.00 0.00 C ATOM 66 O GLN A 5 -9.399 1.873 -9.313 1.00 0.00 O ATOM 67 CB GLN A 5 -10.907 2.748 -12.159 1.00 0.00 C ATOM 68 CG GLN A 5 -10.000 2.087 -13.206 1.00 0.00 C ATOM 69 CD GLN A 5 -10.825 1.739 -14.451 1.00 0.00 C ATOM 70 OE1 GLN A 5 -10.866 2.505 -15.394 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.488 0.610 -14.502 1.00 0.00 N ATOM 0 H GLN A 5 -9.449 4.683 -12.668 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.715 3.792 -10.264 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.576 2.004 -11.727 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.534 3.501 -12.636 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.185 2.760 -13.473 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.547 1.186 -12.793 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.457 -0.036 -13.713 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.035 0.377 -15.331 1.00 0.00 H new ATOM 80 N TYR A 6 -7.989 2.093 -11.001 1.00 0.00 N ATOM 81 CA TYR A 6 -7.018 1.138 -10.368 1.00 0.00 C ATOM 82 C TYR A 6 -6.307 1.856 -9.212 1.00 0.00 C ATOM 83 O TYR A 6 -6.028 1.266 -8.188 1.00 0.00 O ATOM 84 CB TYR A 6 -6.002 0.747 -11.453 1.00 0.00 C ATOM 85 CG TYR A 6 -6.629 -0.242 -12.404 1.00 0.00 C ATOM 86 CD1 TYR A 6 -6.544 -1.613 -12.142 1.00 0.00 C ATOM 87 CD2 TYR A 6 -7.291 0.213 -13.550 1.00 0.00 C ATOM 88 CE1 TYR A 6 -7.120 -2.531 -13.025 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.869 -0.705 -14.435 1.00 0.00 C ATOM 90 CZ TYR A 6 -7.783 -2.078 -14.172 1.00 0.00 C ATOM 91 OH TYR A 6 -8.353 -2.984 -15.045 1.00 0.00 O ATOM 0 H TYR A 6 -7.700 2.478 -11.900 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.517 0.251 -9.977 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.677 1.634 -11.997 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.114 0.312 -10.994 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.033 -1.963 -11.257 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -7.356 1.272 -13.752 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.054 -3.590 -12.822 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -8.381 -0.355 -15.319 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.774 -2.502 -15.788 1.00 0.00 H new ATOM 101 N THR A 7 -6.017 3.135 -9.369 1.00 0.00 N ATOM 102 CA THR A 7 -5.330 3.890 -8.264 1.00 0.00 C ATOM 103 C THR A 7 -6.261 4.002 -7.050 1.00 0.00 C ATOM 104 O THR A 7 -5.821 3.881 -5.921 1.00 0.00 O ATOM 105 CB THR A 7 -5.011 5.287 -8.831 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.141 5.152 -9.946 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.344 6.167 -7.769 1.00 0.00 C ATOM 0 H THR A 7 -6.224 3.681 -10.205 1.00 0.00 H new ATOM 0 HA THR A 7 -4.423 3.384 -7.934 1.00 0.00 H new ATOM 0 HB THR A 7 -5.944 5.761 -9.137 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.592 5.474 -10.754 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.128 7.148 -8.192 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.014 6.279 -6.916 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.415 5.701 -7.442 1.00 0.00 H new ATOM 115 N GLU A 8 -7.541 4.229 -7.262 1.00 0.00 N ATOM 116 CA GLU A 8 -8.473 4.341 -6.085 1.00 0.00 C ATOM 117 C GLU A 8 -8.648 2.966 -5.433 1.00 0.00 C ATOM 118 O GLU A 8 -8.660 2.854 -4.221 1.00 0.00 O ATOM 119 CB GLU A 8 -9.816 4.863 -6.620 1.00 0.00 C ATOM 120 CG GLU A 8 -10.448 5.801 -5.589 1.00 0.00 C ATOM 121 CD GLU A 8 -9.787 7.178 -5.680 1.00 0.00 C ATOM 122 OE1 GLU A 8 -8.588 7.225 -5.899 1.00 0.00 O ATOM 123 OE2 GLU A 8 -10.492 8.163 -5.528 1.00 0.00 O ATOM 0 H GLU A 8 -7.974 4.340 -8.179 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.077 5.020 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.664 5.390 -7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.486 4.028 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.520 5.888 -5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.325 5.392 -4.586 1.00 0.00 H new ATOM 130 N ASN A 9 -8.755 1.917 -6.217 1.00 0.00 N ATOM 131 CA ASN A 9 -8.895 0.551 -5.604 1.00 0.00 C ATOM 132 C ASN A 9 -7.527 0.090 -5.086 1.00 0.00 C ATOM 133 O ASN A 9 -7.434 -0.519 -4.037 1.00 0.00 O ATOM 134 CB ASN A 9 -9.403 -0.388 -6.708 1.00 0.00 C ATOM 135 CG ASN A 9 -10.831 0.009 -7.102 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.051 1.095 -7.599 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.821 -0.827 -6.901 1.00 0.00 N ATOM 0 H ASN A 9 -8.752 1.943 -7.237 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.591 0.555 -4.765 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.747 -0.334 -7.577 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.385 -1.420 -6.359 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.771 -0.564 -7.162 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.641 -1.740 -6.484 1.00 0.00 H new ATOM 144 N LEU A 10 -6.460 0.393 -5.800 1.00 0.00 N ATOM 145 CA LEU A 10 -5.102 -0.020 -5.311 1.00 0.00 C ATOM 146 C LEU A 10 -4.746 0.776 -4.048 1.00 0.00 C ATOM 147 O LEU A 10 -4.147 0.245 -3.131 1.00 0.00 O ATOM 148 CB LEU A 10 -4.103 0.292 -6.439 1.00 0.00 C ATOM 149 CG LEU A 10 -2.709 -0.193 -6.036 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.715 -1.716 -5.902 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.699 0.220 -7.110 1.00 0.00 C ATOM 0 H LEU A 10 -6.472 0.900 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.077 -1.080 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.417 -0.196 -7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.084 1.364 -6.636 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.431 0.253 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.721 -2.060 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.436 -2.011 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.992 -2.164 -6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.705 -0.124 -6.826 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.979 -0.227 -8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.694 1.306 -7.206 1.00 0.00 H new ATOM 163 N LYS A 11 -5.117 2.042 -3.978 1.00 0.00 N ATOM 164 CA LYS A 11 -4.788 2.841 -2.744 1.00 0.00 C ATOM 165 C LYS A 11 -5.436 2.199 -1.505 1.00 0.00 C ATOM 166 O LYS A 11 -4.878 2.250 -0.424 1.00 0.00 O ATOM 167 CB LYS A 11 -5.348 4.257 -2.962 1.00 0.00 C ATOM 168 CG LYS A 11 -4.910 5.163 -1.811 1.00 0.00 C ATOM 169 CD LYS A 11 -6.016 6.178 -1.509 1.00 0.00 C ATOM 170 CE LYS A 11 -6.144 7.156 -2.679 1.00 0.00 C ATOM 171 NZ LYS A 11 -7.305 8.021 -2.332 1.00 0.00 N ATOM 0 H LYS A 11 -5.623 2.547 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.711 2.870 -2.577 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.991 4.658 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.436 4.224 -3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.699 4.565 -0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.988 5.682 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.963 5.663 -1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.786 6.720 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.235 7.745 -2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.311 6.628 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.456 8.719 -3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.157 7.433 -2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.114 8.516 -1.437 1.00 0.00 H new ATOM 185 N VAL A 12 -6.598 1.590 -1.645 1.00 0.00 N ATOM 186 CA VAL A 12 -7.242 0.947 -0.445 1.00 0.00 C ATOM 187 C VAL A 12 -6.476 -0.331 -0.082 1.00 0.00 C ATOM 188 O VAL A 12 -6.172 -0.566 1.073 1.00 0.00 O ATOM 189 CB VAL A 12 -8.690 0.617 -0.847 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.403 -0.095 0.304 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.432 1.914 -1.178 1.00 0.00 C ATOM 0 H VAL A 12 -7.119 1.511 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.227 1.604 0.424 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.679 -0.036 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.427 -0.325 0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.877 -1.020 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.413 0.552 1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.458 1.683 -1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.436 2.564 -0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.931 2.419 -2.004 1.00 0.00 H new ATOM 201 N ILE A 13 -6.150 -1.150 -1.056 1.00 0.00 N ATOM 202 CA ILE A 13 -5.386 -2.406 -0.740 1.00 0.00 C ATOM 203 C ILE A 13 -3.979 -2.045 -0.236 1.00 0.00 C ATOM 204 O ILE A 13 -3.454 -2.696 0.649 1.00 0.00 O ATOM 205 CB ILE A 13 -5.316 -3.224 -2.042 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.745 -3.546 -2.518 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.552 -4.529 -1.790 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.874 -3.269 -4.018 1.00 0.00 C ATOM 0 H ILE A 13 -6.374 -1.009 -2.041 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.873 -2.986 0.044 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.798 -2.647 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.979 -4.590 -2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.465 -2.943 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.504 -5.106 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.541 -4.300 -1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.067 -5.110 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.888 -3.500 -4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.660 -2.218 -4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.166 -3.891 -4.565 1.00 0.00 H new ATOM 220 N VAL A 14 -3.367 -1.004 -0.770 1.00 0.00 N ATOM 221 CA VAL A 14 -1.998 -0.618 -0.275 1.00 0.00 C ATOM 222 C VAL A 14 -2.102 -0.172 1.191 1.00 0.00 C ATOM 223 O VAL A 14 -1.272 -0.526 2.009 1.00 0.00 O ATOM 224 CB VAL A 14 -1.512 0.543 -1.160 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.115 0.985 -0.712 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.462 0.083 -2.624 1.00 0.00 C ATOM 0 H VAL A 14 -3.747 -0.416 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.299 -1.452 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.201 1.382 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.226 1.807 -1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.153 1.314 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.578 0.148 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.118 0.905 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.775 -0.758 -2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.458 -0.225 -2.943 1.00 0.00 H new ATOM 236 N ALA A 15 -3.125 0.589 1.540 1.00 0.00 N ATOM 237 CA ALA A 15 -3.267 1.026 2.976 1.00 0.00 C ATOM 238 C ALA A 15 -3.412 -0.210 3.884 1.00 0.00 C ATOM 239 O ALA A 15 -2.912 -0.226 4.993 1.00 0.00 O ATOM 240 CB ALA A 15 -4.535 1.892 3.055 1.00 0.00 C ATOM 0 H ALA A 15 -3.853 0.920 0.907 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.393 1.587 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.680 2.233 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.428 2.755 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.398 1.303 2.743 1.00 0.00 H new ATOM 246 N GLU A 16 -4.085 -1.251 3.424 1.00 0.00 N ATOM 247 CA GLU A 16 -4.244 -2.486 4.279 1.00 0.00 C ATOM 248 C GLU A 16 -2.872 -2.994 4.757 1.00 0.00 C ATOM 249 O GLU A 16 -2.746 -3.493 5.860 1.00 0.00 O ATOM 250 CB GLU A 16 -4.909 -3.549 3.390 1.00 0.00 C ATOM 251 CG GLU A 16 -5.254 -4.780 4.230 1.00 0.00 C ATOM 252 CD GLU A 16 -5.171 -6.034 3.356 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.523 -5.944 2.191 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.757 -7.062 3.866 1.00 0.00 O ATOM 0 H GLU A 16 -4.526 -1.299 2.505 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.843 -2.270 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.812 -3.143 2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.239 -3.828 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.566 -4.864 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.256 -4.680 4.647 1.00 0.00 H new ATOM 261 N LYS A 17 -1.839 -2.867 3.945 1.00 0.00 N ATOM 262 CA LYS A 17 -0.483 -3.348 4.389 1.00 0.00 C ATOM 263 C LYS A 17 0.190 -2.270 5.252 1.00 0.00 C ATOM 264 O LYS A 17 0.650 -2.550 6.344 1.00 0.00 O ATOM 265 CB LYS A 17 0.338 -3.612 3.111 1.00 0.00 C ATOM 266 CG LYS A 17 0.919 -5.030 3.150 1.00 0.00 C ATOM 267 CD LYS A 17 1.998 -5.115 4.233 1.00 0.00 C ATOM 268 CE LYS A 17 1.392 -5.677 5.521 1.00 0.00 C ATOM 269 NZ LYS A 17 2.410 -6.628 6.044 1.00 0.00 N ATOM 0 H LYS A 17 -1.875 -2.459 3.011 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.558 -4.255 4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.294 -3.492 2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.143 -2.882 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.128 -5.752 3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.343 -5.287 2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.816 -5.752 3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.419 -4.127 4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.188 -4.883 6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.446 -6.181 5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.065 -7.054 6.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.579 -7.376 5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.298 -6.119 6.229 1.00 0.00 H new ATOM 283 N LEU A 18 0.245 -1.037 4.784 1.00 0.00 N ATOM 284 CA LEU A 18 0.888 0.044 5.615 1.00 0.00 C ATOM 285 C LEU A 18 0.119 0.202 6.934 1.00 0.00 C ATOM 286 O LEU A 18 0.709 0.253 7.996 1.00 0.00 O ATOM 287 CB LEU A 18 0.797 1.340 4.800 1.00 0.00 C ATOM 288 CG LEU A 18 1.642 1.207 3.539 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.089 2.137 2.459 1.00 0.00 C ATOM 290 CD2 LEU A 18 3.089 1.590 3.858 1.00 0.00 C ATOM 0 H LEU A 18 -0.120 -0.736 3.880 1.00 0.00 H new ATOM 0 HA LEU A 18 1.924 -0.198 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.241 1.544 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.145 2.183 5.397 1.00 0.00 H new ATOM 0 HG LEU A 18 1.610 0.178 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.692 2.044 1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.057 1.864 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.123 3.167 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.697 1.496 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.123 2.620 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.479 0.927 4.630 1.00 0.00 H new ATOM 302 N ALA A 19 -1.197 0.269 6.875 1.00 0.00 N ATOM 303 CA ALA A 19 -1.990 0.409 8.146 1.00 0.00 C ATOM 304 C ALA A 19 -1.837 -0.859 9.011 1.00 0.00 C ATOM 305 O ALA A 19 -1.947 -0.796 10.221 1.00 0.00 O ATOM 306 CB ALA A 19 -3.461 0.592 7.735 1.00 0.00 C ATOM 0 H ALA A 19 -1.747 0.233 6.017 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.638 1.257 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.078 0.698 8.628 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.558 1.486 7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.791 -0.278 7.167 1.00 0.00 H new ATOM 312 N GLY A 20 -1.589 -2.013 8.410 1.00 0.00 N ATOM 313 CA GLY A 20 -1.439 -3.263 9.215 1.00 0.00 C ATOM 314 C GLY A 20 -0.034 -3.335 9.836 1.00 0.00 C ATOM 315 O GLY A 20 0.127 -3.829 10.936 1.00 0.00 O ATOM 0 H GLY A 20 -1.486 -2.132 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.193 -3.289 10.002 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.609 -4.134 8.582 1.00 0.00 H new ATOM 319 N ILE A 21 0.993 -2.858 9.150 1.00 0.00 N ATOM 320 CA ILE A 21 2.388 -2.923 9.738 1.00 0.00 C ATOM 321 C ILE A 21 2.393 -2.302 11.158 1.00 0.00 C ATOM 322 O ILE A 21 1.860 -1.228 11.354 1.00 0.00 O ATOM 323 CB ILE A 21 3.299 -2.128 8.773 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.412 -2.892 7.448 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.702 -1.958 9.366 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.661 -1.914 6.294 1.00 0.00 C ATOM 0 H ILE A 21 0.930 -2.434 8.225 1.00 0.00 H new ATOM 0 HA ILE A 21 2.740 -3.949 9.841 1.00 0.00 H new ATOM 0 HB ILE A 21 2.861 -1.143 8.613 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.226 -3.614 7.504 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.497 -3.456 7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.325 -1.396 8.670 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.635 -1.418 10.311 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.145 -2.939 9.539 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.740 -2.468 5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.833 -1.209 6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.588 -1.369 6.472 1.00 0.00 H new ATOM 338 N PRO A 22 2.984 -3.001 12.112 1.00 0.00 N ATOM 339 CA PRO A 22 3.024 -2.490 13.513 1.00 0.00 C ATOM 340 C PRO A 22 3.918 -1.242 13.655 1.00 0.00 C ATOM 341 O PRO A 22 3.755 -0.479 14.590 1.00 0.00 O ATOM 342 CB PRO A 22 3.598 -3.661 14.308 1.00 0.00 C ATOM 343 CG PRO A 22 4.375 -4.456 13.313 1.00 0.00 C ATOM 344 CD PRO A 22 3.663 -4.305 11.996 1.00 0.00 C ATOM 0 HA PRO A 22 2.040 -2.173 13.859 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.236 -3.312 15.120 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.806 -4.258 14.759 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.401 -4.094 13.243 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.426 -5.504 13.608 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.362 -4.319 11.159 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.951 -5.114 11.831 1.00 0.00 H new ATOM 415 N ASP A 27 1.988 9.137 8.731 1.00 0.00 N ATOM 416 CA ASP A 27 2.409 9.093 7.291 1.00 0.00 C ATOM 417 C ASP A 27 2.054 7.734 6.659 1.00 0.00 C ATOM 418 O ASP A 27 2.820 7.190 5.889 1.00 0.00 O ATOM 419 CB ASP A 27 3.927 9.300 7.304 1.00 0.00 C ATOM 420 CG ASP A 27 4.240 10.764 7.619 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.608 11.305 8.511 1.00 0.00 O ATOM 422 OD2 ASP A 27 5.107 11.319 6.964 1.00 0.00 O ATOM 0 HA ASP A 27 1.900 9.854 6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.387 8.650 8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.350 9.026 6.338 1.00 0.00 H new ATOM 427 N ILE A 28 0.898 7.184 6.975 1.00 0.00 N ATOM 428 CA ILE A 28 0.509 5.863 6.379 1.00 0.00 C ATOM 429 C ILE A 28 -0.375 6.087 5.135 1.00 0.00 C ATOM 430 O ILE A 28 -0.227 5.400 4.142 1.00 0.00 O ATOM 431 CB ILE A 28 -0.219 5.090 7.512 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.303 3.592 7.168 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.627 5.648 7.762 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.179 3.356 5.929 1.00 0.00 C ATOM 0 H ILE A 28 0.215 7.591 7.614 1.00 0.00 H new ATOM 0 HA ILE A 28 1.365 5.286 6.029 1.00 0.00 H new ATOM 0 HB ILE A 28 0.362 5.219 8.425 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.698 3.200 6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.713 3.044 8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.106 5.082 8.561 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.557 6.697 8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.220 5.562 6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.220 2.289 5.710 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.186 3.726 6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.753 3.885 5.076 1.00 0.00 H new ATOM 446 N LYS A 29 -1.273 7.050 5.167 1.00 0.00 N ATOM 447 CA LYS A 29 -2.132 7.298 3.955 1.00 0.00 C ATOM 448 C LYS A 29 -1.266 7.883 2.830 1.00 0.00 C ATOM 449 O LYS A 29 -1.408 7.509 1.680 1.00 0.00 O ATOM 450 CB LYS A 29 -3.217 8.304 4.374 1.00 0.00 C ATOM 451 CG LYS A 29 -4.285 7.588 5.201 1.00 0.00 C ATOM 452 CD LYS A 29 -5.281 6.899 4.265 1.00 0.00 C ATOM 453 CE LYS A 29 -5.884 5.680 4.967 1.00 0.00 C ATOM 454 NZ LYS A 29 -6.196 4.722 3.871 1.00 0.00 N ATOM 0 H LYS A 29 -1.447 7.664 5.962 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.586 6.377 3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.773 9.112 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.668 8.757 3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.819 6.853 5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.805 8.302 5.840 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.070 7.595 3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.780 6.592 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.183 5.248 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.781 5.949 5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.614 3.859 4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.871 5.158 3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.322 4.479 3.363 1.00 0.00 H new ATOM 468 N TYR A 30 -0.358 8.787 3.147 1.00 0.00 N ATOM 469 CA TYR A 30 0.519 9.369 2.070 1.00 0.00 C ATOM 470 C TYR A 30 1.419 8.272 1.481 1.00 0.00 C ATOM 471 O TYR A 30 1.653 8.236 0.287 1.00 0.00 O ATOM 472 CB TYR A 30 1.377 10.459 2.732 1.00 0.00 C ATOM 473 CG TYR A 30 0.484 11.576 3.220 1.00 0.00 C ATOM 474 CD1 TYR A 30 -0.315 12.281 2.312 1.00 0.00 C ATOM 475 CD2 TYR A 30 0.457 11.907 4.580 1.00 0.00 C ATOM 476 CE1 TYR A 30 -1.141 13.316 2.764 1.00 0.00 C ATOM 477 CE2 TYR A 30 -0.369 12.942 5.032 1.00 0.00 C ATOM 478 CZ TYR A 30 -1.169 13.647 4.125 1.00 0.00 C ATOM 479 OH TYR A 30 -1.983 14.668 4.570 1.00 0.00 O ATOM 0 H TYR A 30 -0.189 9.141 4.088 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.078 9.785 1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.939 10.038 3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.105 10.846 2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.294 12.026 1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.074 11.363 5.280 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.757 13.860 2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.389 13.197 6.081 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.883 14.767 5.540 1.00 0.00 H new ATOM 489 N VAL A 31 1.922 7.372 2.303 1.00 0.00 N ATOM 490 CA VAL A 31 2.805 6.278 1.759 1.00 0.00 C ATOM 491 C VAL A 31 1.998 5.405 0.779 1.00 0.00 C ATOM 492 O VAL A 31 2.500 5.017 -0.259 1.00 0.00 O ATOM 493 CB VAL A 31 3.303 5.462 2.980 1.00 0.00 C ATOM 494 CG1 VAL A 31 3.940 4.139 2.530 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.357 6.278 3.733 1.00 0.00 C ATOM 0 H VAL A 31 1.763 7.346 3.310 1.00 0.00 H new ATOM 0 HA VAL A 31 3.656 6.674 1.206 1.00 0.00 H new ATOM 0 HB VAL A 31 2.449 5.246 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.282 3.584 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.203 3.546 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.788 4.347 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.711 5.710 4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.195 6.491 3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.917 7.215 4.074 1.00 0.00 H new ATOM 505 N ALA A 32 0.757 5.098 1.091 1.00 0.00 N ATOM 506 CA ALA A 32 -0.055 4.251 0.143 1.00 0.00 C ATOM 507 C ALA A 32 -0.308 5.034 -1.152 1.00 0.00 C ATOM 508 O ALA A 32 -0.202 4.491 -2.236 1.00 0.00 O ATOM 509 CB ALA A 32 -1.384 3.940 0.849 1.00 0.00 C ATOM 0 H ALA A 32 0.276 5.389 1.942 1.00 0.00 H new ATOM 0 HA ALA A 32 0.466 3.329 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.007 3.327 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.186 3.401 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.903 4.872 1.075 1.00 0.00 H new ATOM 515 N GLU A 33 -0.629 6.307 -1.053 1.00 0.00 N ATOM 516 CA GLU A 33 -0.873 7.111 -2.304 1.00 0.00 C ATOM 517 C GLU A 33 0.414 7.159 -3.136 1.00 0.00 C ATOM 518 O GLU A 33 0.382 6.996 -4.342 1.00 0.00 O ATOM 519 CB GLU A 33 -1.274 8.527 -1.858 1.00 0.00 C ATOM 520 CG GLU A 33 -2.727 8.519 -1.378 1.00 0.00 C ATOM 521 CD GLU A 33 -3.315 9.925 -1.510 1.00 0.00 C ATOM 522 OE1 GLU A 33 -3.404 10.406 -2.627 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.666 10.497 -0.491 1.00 0.00 O ATOM 0 H GLU A 33 -0.732 6.819 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.658 6.667 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.617 8.867 -1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.157 9.227 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.312 7.812 -1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.777 8.188 -0.341 1.00 0.00 H new ATOM 530 N TYR A 34 1.550 7.360 -2.502 1.00 0.00 N ATOM 531 CA TYR A 34 2.840 7.390 -3.279 1.00 0.00 C ATOM 532 C TYR A 34 3.104 5.995 -3.865 1.00 0.00 C ATOM 533 O TYR A 34 3.542 5.867 -4.992 1.00 0.00 O ATOM 534 CB TYR A 34 3.943 7.785 -2.277 1.00 0.00 C ATOM 535 CG TYR A 34 5.329 7.755 -2.910 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.510 7.867 -4.304 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.445 7.634 -2.076 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.802 7.857 -4.844 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.731 7.619 -2.617 1.00 0.00 C ATOM 540 CZ TYR A 34 7.913 7.733 -3.999 1.00 0.00 C ATOM 541 OH TYR A 34 9.186 7.727 -4.530 1.00 0.00 O ATOM 0 H TYR A 34 1.642 7.503 -1.496 1.00 0.00 H new ATOM 0 HA TYR A 34 2.807 8.099 -4.106 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.742 8.785 -1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.919 7.105 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.653 7.960 -4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.311 7.552 -1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.942 7.945 -5.911 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.588 7.519 -1.967 1.00 0.00 H new ATOM 0 HH TYR A 34 9.843 7.699 -3.804 1.00 0.00 H new ATOM 551 N ILE A 35 2.824 4.947 -3.115 1.00 0.00 N ATOM 552 CA ILE A 35 3.046 3.559 -3.657 1.00 0.00 C ATOM 553 C ILE A 35 2.161 3.360 -4.901 1.00 0.00 C ATOM 554 O ILE A 35 2.620 2.869 -5.915 1.00 0.00 O ATOM 555 CB ILE A 35 2.667 2.589 -2.510 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.793 2.604 -1.473 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.479 1.157 -3.024 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.385 1.784 -0.248 1.00 0.00 C ATOM 0 H ILE A 35 2.457 4.990 -2.164 1.00 0.00 H new ATOM 0 HA ILE A 35 4.076 3.382 -3.968 1.00 0.00 H new ATOM 0 HB ILE A 35 1.724 2.917 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.705 2.195 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.013 3.630 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.214 0.504 -2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.682 1.139 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.407 0.808 -3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.191 1.799 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.485 2.212 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.187 0.755 -0.548 1.00 0.00 H new ATOM 570 N VAL A 36 0.907 3.757 -4.839 1.00 0.00 N ATOM 571 CA VAL A 36 0.024 3.599 -6.049 1.00 0.00 C ATOM 572 C VAL A 36 0.575 4.471 -7.188 1.00 0.00 C ATOM 573 O VAL A 36 0.610 4.049 -8.327 1.00 0.00 O ATOM 574 CB VAL A 36 -1.389 4.052 -5.641 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.325 3.997 -6.854 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.921 3.117 -4.552 1.00 0.00 C ATOM 0 H VAL A 36 0.463 4.175 -4.022 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.004 2.567 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.346 5.075 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.323 4.319 -6.558 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.948 4.657 -7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.370 2.976 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.922 3.433 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.960 2.097 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.260 3.154 -3.686 1.00 0.00 H new ATOM 586 N LEU A 37 1.026 5.675 -6.891 1.00 0.00 N ATOM 587 CA LEU A 37 1.597 6.546 -7.983 1.00 0.00 C ATOM 588 C LEU A 37 2.784 5.815 -8.632 1.00 0.00 C ATOM 589 O LEU A 37 2.926 5.810 -9.839 1.00 0.00 O ATOM 590 CB LEU A 37 2.067 7.850 -7.318 1.00 0.00 C ATOM 591 CG LEU A 37 2.122 8.973 -8.361 1.00 0.00 C ATOM 592 CD1 LEU A 37 1.614 10.277 -7.741 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.568 9.165 -8.831 1.00 0.00 C ATOM 0 H LEU A 37 1.025 6.087 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 37 0.860 6.761 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.387 8.123 -6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.051 7.707 -6.871 1.00 0.00 H new ATOM 0 HG LEU A 37 1.494 8.706 -9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.654 11.073 -8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.585 10.144 -7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.241 10.543 -6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.607 9.963 -9.572 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.195 9.430 -7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.932 8.239 -9.276 1.00 0.00 H new ATOM 605 N LEU A 38 3.618 5.165 -7.843 1.00 0.00 N ATOM 606 CA LEU A 38 4.761 4.403 -8.452 1.00 0.00 C ATOM 607 C LEU A 38 4.183 3.218 -9.248 1.00 0.00 C ATOM 608 O LEU A 38 4.644 2.906 -10.329 1.00 0.00 O ATOM 609 CB LEU A 38 5.634 3.893 -7.293 1.00 0.00 C ATOM 610 CG LEU A 38 6.227 5.084 -6.538 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.527 4.675 -5.094 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.524 5.524 -7.221 1.00 0.00 C ATOM 0 H LEU A 38 3.558 5.130 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 38 5.355 5.024 -9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.038 3.281 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.433 3.258 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 38 5.514 5.908 -6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.950 5.523 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.605 4.359 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.241 3.851 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.948 6.373 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.236 4.699 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.313 5.814 -8.250 1.00 0.00 H new ATOM 624 N ILE A 39 3.162 2.568 -8.722 1.00 0.00 N ATOM 625 CA ILE A 39 2.536 1.410 -9.458 1.00 0.00 C ATOM 626 C ILE A 39 1.849 1.928 -10.735 1.00 0.00 C ATOM 627 O ILE A 39 2.022 1.371 -11.803 1.00 0.00 O ATOM 628 CB ILE A 39 1.497 0.803 -8.483 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.229 0.160 -7.289 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.614 -0.238 -9.190 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.954 -1.123 -7.720 1.00 0.00 C ATOM 0 H ILE A 39 2.737 2.787 -7.821 1.00 0.00 H new ATOM 0 HA ILE A 39 3.271 0.664 -9.760 1.00 0.00 H new ATOM 0 HB ILE A 39 0.847 1.602 -8.125 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.947 0.867 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.514 -0.069 -6.499 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.106 -0.647 -8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.082 0.236 -10.014 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.239 -1.043 -9.577 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.463 -1.559 -6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.229 -1.836 -8.113 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.685 -0.886 -8.493 1.00 0.00 H new ATOM 643 N VAL A 40 1.073 2.985 -10.631 1.00 0.00 N ATOM 644 CA VAL A 40 0.379 3.524 -11.855 1.00 0.00 C ATOM 645 C VAL A 40 1.399 4.127 -12.851 1.00 0.00 C ATOM 646 O VAL A 40 1.135 4.190 -14.037 1.00 0.00 O ATOM 647 CB VAL A 40 -0.651 4.578 -11.357 1.00 0.00 C ATOM 648 CG1 VAL A 40 0.002 5.950 -11.129 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.768 4.715 -12.393 1.00 0.00 C ATOM 0 H VAL A 40 0.890 3.493 -9.766 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.132 2.731 -12.401 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.052 4.235 -10.403 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.751 6.658 -10.782 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.788 5.859 -10.379 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.433 6.308 -12.064 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.494 5.452 -12.050 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.345 5.038 -13.344 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.263 3.753 -12.524 1.00 0.00 H new ATOM 659 N ASN A 41 2.555 4.569 -12.388 1.00 0.00 N ATOM 660 CA ASN A 41 3.560 5.155 -13.326 1.00 0.00 C ATOM 661 C ASN A 41 4.872 4.345 -13.325 1.00 0.00 C ATOM 662 O ASN A 41 5.905 4.861 -13.710 1.00 0.00 O ATOM 663 CB ASN A 41 3.820 6.568 -12.795 1.00 0.00 C ATOM 664 CG ASN A 41 2.513 7.373 -12.785 1.00 0.00 C ATOM 665 OD1 ASN A 41 2.052 7.855 -11.656 1.00 0.00 O flip ATOM 666 ND2 ASN A 41 1.904 7.569 -13.818 1.00 0.00 N flip ATOM 0 H ASN A 41 2.837 4.546 -11.408 1.00 0.00 H new ATOM 0 HA ASN A 41 3.193 5.150 -14.353 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.233 6.517 -11.788 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.561 7.069 -13.418 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.259 7.196 -14.698 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.037 8.107 -13.805 1.00 0.00 H new ATOM 673 N GLY A 42 4.859 3.091 -12.903 1.00 0.00 N ATOM 674 CA GLY A 42 6.132 2.299 -12.900 1.00 0.00 C ATOM 675 C GLY A 42 5.961 1.033 -12.051 1.00 0.00 C ATOM 676 O GLY A 42 6.556 0.909 -10.997 1.00 0.00 O ATOM 0 H GLY A 42 4.034 2.595 -12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.404 2.028 -13.920 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.946 2.905 -12.503 1.00 0.00 H new ATOM 680 N GLY A 43 5.145 0.099 -12.494 1.00 0.00 N ATOM 681 CA GLY A 43 4.934 -1.150 -11.706 1.00 0.00 C ATOM 682 C GLY A 43 6.219 -1.994 -11.705 1.00 0.00 C ATOM 683 O GLY A 43 6.285 -3.033 -12.335 1.00 0.00 O ATOM 0 H GLY A 43 4.620 0.154 -13.367 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.652 -0.901 -10.683 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.112 -1.725 -12.133 1.00 0.00 H new ATOM 687 N THR A 44 7.233 -1.566 -10.986 1.00 0.00 N ATOM 688 CA THR A 44 8.502 -2.343 -10.922 1.00 0.00 C ATOM 689 C THR A 44 8.989 -2.368 -9.463 1.00 0.00 C ATOM 690 O THR A 44 9.300 -1.336 -8.897 1.00 0.00 O ATOM 691 CB THR A 44 9.474 -1.579 -11.824 1.00 0.00 C ATOM 692 OG1 THR A 44 9.280 -0.180 -11.645 1.00 0.00 O ATOM 693 CG2 THR A 44 9.204 -1.955 -13.286 1.00 0.00 C ATOM 0 H THR A 44 7.230 -0.705 -10.439 1.00 0.00 H new ATOM 0 HA THR A 44 8.399 -3.378 -11.248 1.00 0.00 H new ATOM 0 HB THR A 44 10.501 -1.837 -11.566 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.902 0.313 -12.220 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.893 -1.414 -13.934 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.348 -3.027 -13.418 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.179 -1.691 -13.546 1.00 0.00 H new ATOM 701 N VAL A 45 9.024 -3.528 -8.833 1.00 0.00 N ATOM 702 CA VAL A 45 9.457 -3.585 -7.385 1.00 0.00 C ATOM 703 C VAL A 45 10.800 -2.857 -7.175 1.00 0.00 C ATOM 704 O VAL A 45 10.984 -2.180 -6.181 1.00 0.00 O ATOM 705 CB VAL A 45 9.592 -5.078 -7.007 1.00 0.00 C ATOM 706 CG1 VAL A 45 10.089 -5.210 -5.561 1.00 0.00 C ATOM 707 CG2 VAL A 45 8.228 -5.763 -7.116 1.00 0.00 C ATOM 0 H VAL A 45 8.776 -4.426 -9.249 1.00 0.00 H new ATOM 0 HA VAL A 45 8.722 -3.086 -6.754 1.00 0.00 H new ATOM 0 HB VAL A 45 10.303 -5.547 -7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.181 -6.265 -5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.061 -4.726 -5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.378 -4.732 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.327 -6.815 -6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.524 -5.281 -6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.861 -5.681 -8.139 1.00 0.00 H new ATOM 717 N GLU A 46 11.734 -2.988 -8.089 1.00 0.00 N ATOM 718 CA GLU A 46 13.054 -2.289 -7.894 1.00 0.00 C ATOM 719 C GLU A 46 12.847 -0.773 -7.912 1.00 0.00 C ATOM 720 O GLU A 46 13.248 -0.083 -6.993 1.00 0.00 O ATOM 721 CB GLU A 46 13.968 -2.721 -9.052 1.00 0.00 C ATOM 722 CG GLU A 46 14.721 -3.993 -8.662 1.00 0.00 C ATOM 723 CD GLU A 46 15.180 -4.724 -9.925 1.00 0.00 C ATOM 724 OE1 GLU A 46 14.418 -5.534 -10.427 1.00 0.00 O ATOM 725 OE2 GLU A 46 16.285 -4.459 -10.370 1.00 0.00 O ATOM 0 H GLU A 46 11.647 -3.536 -8.945 1.00 0.00 H new ATOM 0 HA GLU A 46 13.501 -2.552 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.376 -2.897 -9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.675 -1.925 -9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.581 -3.743 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.077 -4.641 -8.068 1.00 0.00 H new ATOM 732 N SER A 47 12.211 -0.245 -8.936 1.00 0.00 N ATOM 733 CA SER A 47 11.979 1.241 -8.966 1.00 0.00 C ATOM 734 C SER A 47 10.977 1.630 -7.870 1.00 0.00 C ATOM 735 O SER A 47 11.095 2.684 -7.273 1.00 0.00 O ATOM 736 CB SER A 47 11.417 1.584 -10.351 1.00 0.00 C ATOM 737 OG SER A 47 11.753 2.927 -10.675 1.00 0.00 O ATOM 0 H SER A 47 11.849 -0.764 -9.736 1.00 0.00 H new ATOM 0 HA SER A 47 12.905 1.788 -8.785 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.824 0.904 -11.100 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.335 1.456 -10.359 1.00 0.00 H new ATOM 0 HG SER A 47 11.216 3.539 -10.129 1.00 0.00 H new ATOM 743 N VAL A 48 9.995 0.792 -7.586 1.00 0.00 N ATOM 744 CA VAL A 48 9.009 1.146 -6.508 1.00 0.00 C ATOM 745 C VAL A 48 9.676 1.046 -5.127 1.00 0.00 C ATOM 746 O VAL A 48 9.402 1.849 -4.254 1.00 0.00 O ATOM 747 CB VAL A 48 7.834 0.156 -6.618 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.772 0.506 -5.574 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.210 0.249 -8.014 1.00 0.00 C ATOM 0 H VAL A 48 9.838 -0.105 -8.046 1.00 0.00 H new ATOM 0 HA VAL A 48 8.654 2.170 -6.627 1.00 0.00 H new ATOM 0 HB VAL A 48 8.202 -0.856 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.941 -0.194 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.207 0.443 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.410 1.519 -5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.379 -0.453 -8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.846 1.262 -8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.961 0.003 -8.765 1.00 0.00 H new ATOM 759 N VAL A 49 10.564 0.091 -4.919 1.00 0.00 N ATOM 760 CA VAL A 49 11.242 0.003 -3.578 1.00 0.00 C ATOM 761 C VAL A 49 12.310 1.107 -3.482 1.00 0.00 C ATOM 762 O VAL A 49 12.490 1.704 -2.437 1.00 0.00 O ATOM 763 CB VAL A 49 11.876 -1.401 -3.483 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.691 -1.524 -2.189 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.768 -2.459 -3.477 1.00 0.00 C ATOM 0 H VAL A 49 10.842 -0.614 -5.602 1.00 0.00 H new ATOM 0 HA VAL A 49 10.541 0.146 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 49 12.533 -1.552 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 49 13.134 -2.518 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.481 -0.773 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.037 -1.368 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.213 -3.452 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.114 -2.296 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.187 -2.383 -4.396 1.00 0.00 H new ATOM 775 N ASP A 50 13.005 1.398 -4.564 1.00 0.00 N ATOM 776 CA ASP A 50 14.040 2.489 -4.509 1.00 0.00 C ATOM 777 C ASP A 50 13.348 3.854 -4.373 1.00 0.00 C ATOM 778 O ASP A 50 13.832 4.724 -3.672 1.00 0.00 O ATOM 779 CB ASP A 50 14.834 2.419 -5.822 1.00 0.00 C ATOM 780 CG ASP A 50 15.921 1.350 -5.706 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.965 1.653 -5.150 1.00 0.00 O ATOM 782 OD2 ASP A 50 15.692 0.246 -6.172 1.00 0.00 O ATOM 0 H ASP A 50 12.903 0.936 -5.468 1.00 0.00 H new ATOM 0 HA ASP A 50 14.703 2.363 -3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.166 2.185 -6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.284 3.388 -6.039 1.00 0.00 H new ATOM 787 N GLU A 51 12.217 4.052 -5.024 1.00 0.00 N ATOM 788 CA GLU A 51 11.514 5.379 -4.896 1.00 0.00 C ATOM 789 C GLU A 51 10.929 5.520 -3.486 1.00 0.00 C ATOM 790 O GLU A 51 11.000 6.579 -2.891 1.00 0.00 O ATOM 791 CB GLU A 51 10.386 5.408 -5.947 1.00 0.00 C ATOM 792 CG GLU A 51 10.848 6.195 -7.178 1.00 0.00 C ATOM 793 CD GLU A 51 11.231 5.225 -8.299 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.335 4.729 -8.960 1.00 0.00 O ATOM 795 OE2 GLU A 51 12.417 4.994 -8.476 1.00 0.00 O ATOM 0 H GLU A 51 11.758 3.368 -5.626 1.00 0.00 H new ATOM 0 HA GLU A 51 12.207 6.204 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.116 4.391 -6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.493 5.868 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.053 6.860 -7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.701 6.823 -6.921 1.00 0.00 H new ATOM 802 N LEU A 52 10.368 4.462 -2.938 1.00 0.00 N ATOM 803 CA LEU A 52 9.804 4.566 -1.547 1.00 0.00 C ATOM 804 C LEU A 52 10.951 4.665 -0.532 1.00 0.00 C ATOM 805 O LEU A 52 10.860 5.396 0.435 1.00 0.00 O ATOM 806 CB LEU A 52 8.974 3.297 -1.304 1.00 0.00 C ATOM 807 CG LEU A 52 7.702 3.354 -2.151 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.128 1.945 -2.303 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.671 4.254 -1.462 1.00 0.00 C ATOM 0 H LEU A 52 10.277 3.548 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 52 9.182 5.454 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.557 2.413 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.718 3.213 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 52 7.938 3.758 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.221 1.985 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.862 1.304 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.891 1.540 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.764 4.296 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.435 3.849 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.080 5.258 -1.353 1.00 0.00 H new ATOM 821 N ALA A 53 12.041 3.953 -0.749 1.00 0.00 N ATOM 822 CA ALA A 53 13.191 4.048 0.216 1.00 0.00 C ATOM 823 C ALA A 53 13.823 5.446 0.128 1.00 0.00 C ATOM 824 O ALA A 53 14.207 6.017 1.132 1.00 0.00 O ATOM 825 CB ALA A 53 14.211 2.974 -0.195 1.00 0.00 C ATOM 0 H ALA A 53 12.182 3.322 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 53 12.861 3.891 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.066 3.007 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.744 1.990 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.547 3.163 -1.215 1.00 0.00 H new ATOM 831 N SER A 54 13.925 6.011 -1.060 1.00 0.00 N ATOM 832 CA SER A 54 14.529 7.389 -1.180 1.00 0.00 C ATOM 833 C SER A 54 13.688 8.407 -0.390 1.00 0.00 C ATOM 834 O SER A 54 14.224 9.329 0.195 1.00 0.00 O ATOM 835 CB SER A 54 14.527 7.747 -2.675 1.00 0.00 C ATOM 836 OG SER A 54 15.613 7.091 -3.315 1.00 0.00 O ATOM 0 H SER A 54 13.623 5.588 -1.937 1.00 0.00 H new ATOM 0 HA SER A 54 15.541 7.409 -0.775 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.584 7.446 -3.132 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.612 8.826 -2.803 1.00 0.00 H new ATOM 0 HG SER A 54 15.347 6.180 -3.558 1.00 0.00 H new ATOM 842 N LEU A 55 12.381 8.244 -0.355 1.00 0.00 N ATOM 843 CA LEU A 55 11.527 9.209 0.419 1.00 0.00 C ATOM 844 C LEU A 55 11.355 8.701 1.857 1.00 0.00 C ATOM 845 O LEU A 55 11.417 9.466 2.801 1.00 0.00 O ATOM 846 CB LEU A 55 10.172 9.260 -0.303 1.00 0.00 C ATOM 847 CG LEU A 55 9.701 10.710 -0.419 1.00 0.00 C ATOM 848 CD1 LEU A 55 8.656 10.817 -1.530 1.00 0.00 C ATOM 849 CD2 LEU A 55 9.082 11.152 0.909 1.00 0.00 C ATOM 0 H LEU A 55 11.874 7.493 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 55 11.977 10.201 0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.261 8.817 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.436 8.672 0.244 1.00 0.00 H new ATOM 0 HG LEU A 55 10.550 11.352 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.319 11.850 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.097 10.501 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.806 10.176 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.746 12.186 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.232 10.512 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.827 11.074 1.701 1.00 0.00 H new ATOM 861 N PHE A 56 11.155 7.411 2.033 1.00 0.00 N ATOM 862 CA PHE A 56 11.001 6.857 3.413 1.00 0.00 C ATOM 863 C PHE A 56 12.287 6.113 3.801 1.00 0.00 C ATOM 864 O PHE A 56 12.316 4.898 3.850 1.00 0.00 O ATOM 865 CB PHE A 56 9.804 5.895 3.350 1.00 0.00 C ATOM 866 CG PHE A 56 8.570 6.634 2.870 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.199 7.849 3.466 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.799 6.106 1.826 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.062 8.531 3.018 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.663 6.789 1.378 1.00 0.00 C ATOM 871 CZ PHE A 56 6.294 8.002 1.973 1.00 0.00 C ATOM 0 H PHE A 56 11.093 6.725 1.281 1.00 0.00 H new ATOM 0 HA PHE A 56 10.831 7.633 4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.027 5.067 2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.620 5.465 4.334 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.791 8.258 4.271 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.082 5.171 1.366 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.777 9.465 3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.070 6.381 0.573 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.418 8.529 1.626 1.00 0.00 H new ATOM 881 N ASP A 57 13.357 6.837 4.071 1.00 0.00 N ATOM 882 CA ASP A 57 14.649 6.157 4.451 1.00 0.00 C ATOM 883 C ASP A 57 14.633 5.638 5.908 1.00 0.00 C ATOM 884 O ASP A 57 15.566 4.971 6.319 1.00 0.00 O ATOM 885 CB ASP A 57 15.759 7.205 4.280 1.00 0.00 C ATOM 886 CG ASP A 57 15.771 7.708 2.836 1.00 0.00 C ATOM 887 OD1 ASP A 57 15.024 8.626 2.543 1.00 0.00 O ATOM 888 OD2 ASP A 57 16.529 7.165 2.048 1.00 0.00 O ATOM 0 H ASP A 57 13.393 7.856 4.046 1.00 0.00 H new ATOM 0 HA ASP A 57 14.807 5.284 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.596 8.037 4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.726 6.770 4.532 1.00 0.00 H new ATOM 893 N SER A 58 13.601 5.907 6.695 1.00 0.00 N ATOM 894 CA SER A 58 13.592 5.384 8.103 1.00 0.00 C ATOM 895 C SER A 58 12.749 4.093 8.211 1.00 0.00 C ATOM 896 O SER A 58 12.272 3.760 9.279 1.00 0.00 O ATOM 897 CB SER A 58 12.974 6.495 8.959 1.00 0.00 C ATOM 898 OG SER A 58 12.667 5.980 10.248 1.00 0.00 O ATOM 0 H SER A 58 12.784 6.455 6.425 1.00 0.00 H new ATOM 0 HA SER A 58 14.599 5.130 8.433 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.667 7.332 9.045 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.071 6.877 8.483 1.00 0.00 H new ATOM 0 HG SER A 58 12.035 5.236 10.161 1.00 0.00 H new ATOM 904 N VAL A 59 12.567 3.356 7.128 1.00 0.00 N ATOM 905 CA VAL A 59 11.768 2.096 7.203 1.00 0.00 C ATOM 906 C VAL A 59 12.625 0.913 6.728 1.00 0.00 C ATOM 907 O VAL A 59 13.522 1.080 5.922 1.00 0.00 O ATOM 908 CB VAL A 59 10.581 2.319 6.260 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.700 1.065 6.230 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.752 3.507 6.755 1.00 0.00 C ATOM 0 H VAL A 59 12.939 3.579 6.205 1.00 0.00 H new ATOM 0 HA VAL A 59 11.437 1.868 8.216 1.00 0.00 H new ATOM 0 HB VAL A 59 10.954 2.524 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.857 1.228 5.558 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.286 0.217 5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.329 0.857 7.234 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.908 3.666 6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.384 3.300 7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.374 4.402 6.774 1.00 0.00 H new ATOM 920 N SER A 60 12.357 -0.281 7.214 1.00 0.00 N ATOM 921 CA SER A 60 13.174 -1.464 6.766 1.00 0.00 C ATOM 922 C SER A 60 12.805 -1.833 5.321 1.00 0.00 C ATOM 923 O SER A 60 11.653 -1.767 4.941 1.00 0.00 O ATOM 924 CB SER A 60 12.836 -2.623 7.715 1.00 0.00 C ATOM 925 OG SER A 60 12.465 -2.100 8.984 1.00 0.00 O ATOM 0 H SER A 60 11.621 -0.487 7.890 1.00 0.00 H new ATOM 0 HA SER A 60 14.241 -1.241 6.793 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.022 -3.220 7.303 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.696 -3.285 7.819 1.00 0.00 H new ATOM 0 HG SER A 60 12.247 -2.838 9.591 1.00 0.00 H new ATOM 931 N ARG A 61 13.772 -2.224 4.510 1.00 0.00 N ATOM 932 CA ARG A 61 13.454 -2.596 3.080 1.00 0.00 C ATOM 933 C ARG A 61 12.328 -3.643 3.030 1.00 0.00 C ATOM 934 O ARG A 61 11.506 -3.627 2.133 1.00 0.00 O ATOM 935 CB ARG A 61 14.741 -3.185 2.480 1.00 0.00 C ATOM 936 CG ARG A 61 15.551 -2.069 1.816 1.00 0.00 C ATOM 937 CD ARG A 61 14.922 -1.714 0.467 1.00 0.00 C ATOM 938 NE ARG A 61 16.074 -1.447 -0.437 1.00 0.00 N ATOM 939 CZ ARG A 61 16.477 -0.221 -0.634 1.00 0.00 C ATOM 940 NH1 ARG A 61 17.176 0.392 0.281 1.00 0.00 N ATOM 941 NH2 ARG A 61 16.179 0.390 -1.749 1.00 0.00 N ATOM 0 H ARG A 61 14.755 -2.301 4.771 1.00 0.00 H new ATOM 0 HA ARG A 61 13.117 -1.723 2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.333 -3.664 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.495 -3.955 1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.575 -1.190 2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.583 -2.389 1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.307 -2.531 0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.275 -0.841 0.551 1.00 0.00 H new ATOM 0 HE ARG A 61 16.548 -2.221 -0.902 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.408 -0.087 1.151 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.490 1.350 0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.632 -0.091 -2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.493 1.348 -1.905 1.00 0.00 H new ATOM 955 N ASP A 62 12.282 -4.551 3.983 1.00 0.00 N ATOM 956 CA ASP A 62 11.190 -5.591 3.967 1.00 0.00 C ATOM 957 C ASP A 62 9.814 -4.938 4.171 1.00 0.00 C ATOM 958 O ASP A 62 8.830 -5.394 3.616 1.00 0.00 O ATOM 959 CB ASP A 62 11.489 -6.569 5.114 1.00 0.00 C ATOM 960 CG ASP A 62 10.996 -7.967 4.736 1.00 0.00 C ATOM 961 OD1 ASP A 62 11.419 -8.464 3.704 1.00 0.00 O ATOM 962 OD2 ASP A 62 10.206 -8.518 5.484 1.00 0.00 O ATOM 0 H ASP A 62 12.940 -4.619 4.759 1.00 0.00 H new ATOM 0 HA ASP A 62 11.165 -6.107 3.007 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.560 -6.592 5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.999 -6.234 6.028 1.00 0.00 H new ATOM 967 N THR A 63 9.725 -3.877 4.950 1.00 0.00 N ATOM 968 CA THR A 63 8.384 -3.223 5.154 1.00 0.00 C ATOM 969 C THR A 63 7.963 -2.507 3.865 1.00 0.00 C ATOM 970 O THR A 63 6.817 -2.580 3.461 1.00 0.00 O ATOM 971 CB THR A 63 8.542 -2.219 6.310 1.00 0.00 C ATOM 972 OG1 THR A 63 8.918 -2.916 7.493 1.00 0.00 O ATOM 973 CG2 THR A 63 7.216 -1.491 6.551 1.00 0.00 C ATOM 0 H THR A 63 10.505 -3.443 5.444 1.00 0.00 H new ATOM 0 HA THR A 63 7.614 -3.956 5.395 1.00 0.00 H new ATOM 0 HB THR A 63 9.311 -1.491 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.021 -2.278 8.230 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.334 -0.782 7.370 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.925 -0.956 5.647 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.444 -2.216 6.808 1.00 0.00 H new ATOM 981 N LEU A 64 8.877 -1.829 3.205 1.00 0.00 N ATOM 982 CA LEU A 64 8.496 -1.130 1.928 1.00 0.00 C ATOM 983 C LEU A 64 8.256 -2.171 0.828 1.00 0.00 C ATOM 984 O LEU A 64 7.325 -2.052 0.054 1.00 0.00 O ATOM 985 CB LEU A 64 9.667 -0.203 1.548 1.00 0.00 C ATOM 986 CG LEU A 64 9.986 0.747 2.717 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.371 0.425 3.285 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.968 2.200 2.224 1.00 0.00 C ATOM 0 H LEU A 64 9.852 -1.729 3.487 1.00 0.00 H new ATOM 0 HA LEU A 64 7.581 -0.551 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.547 -0.797 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.412 0.374 0.659 1.00 0.00 H new ATOM 0 HG LEU A 64 9.234 0.616 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.591 1.100 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.387 -0.604 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.122 0.549 2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.194 2.869 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.716 2.328 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.981 2.437 1.826 1.00 0.00 H new ATOM 1000 N ALA A 65 9.072 -3.203 0.762 1.00 0.00 N ATOM 1001 CA ALA A 65 8.850 -4.257 -0.291 1.00 0.00 C ATOM 1002 C ALA A 65 7.551 -5.031 0.004 1.00 0.00 C ATOM 1003 O ALA A 65 6.879 -5.477 -0.907 1.00 0.00 O ATOM 1004 CB ALA A 65 10.060 -5.201 -0.239 1.00 0.00 C ATOM 0 H ALA A 65 9.869 -3.361 1.379 1.00 0.00 H new ATOM 0 HA ALA A 65 8.751 -3.810 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.943 -5.984 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.970 -4.637 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.127 -5.652 0.751 1.00 0.00 H new ATOM 1010 N ASN A 66 7.184 -5.194 1.265 1.00 0.00 N ATOM 1011 CA ASN A 66 5.915 -5.943 1.577 1.00 0.00 C ATOM 1012 C ASN A 66 4.699 -5.137 1.100 1.00 0.00 C ATOM 1013 O ASN A 66 3.767 -5.697 0.550 1.00 0.00 O ATOM 1014 CB ASN A 66 5.866 -6.124 3.103 1.00 0.00 C ATOM 1015 CG ASN A 66 4.839 -7.205 3.459 1.00 0.00 C ATOM 1016 OD1 ASN A 66 3.898 -7.424 2.722 1.00 0.00 O ATOM 1017 ND2 ASN A 66 4.973 -7.897 4.564 1.00 0.00 N ATOM 0 H ASN A 66 7.699 -4.847 2.075 1.00 0.00 H new ATOM 0 HA ASN A 66 5.895 -6.908 1.071 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.850 -6.405 3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.599 -5.182 3.583 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.289 -8.615 4.802 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.761 -7.717 5.186 1.00 0.00 H new ATOM 1024 N VAL A 67 4.695 -3.830 1.288 1.00 0.00 N ATOM 1025 CA VAL A 67 3.515 -3.025 0.810 1.00 0.00 C ATOM 1026 C VAL A 67 3.549 -2.934 -0.725 1.00 0.00 C ATOM 1027 O VAL A 67 2.527 -3.039 -1.376 1.00 0.00 O ATOM 1028 CB VAL A 67 3.632 -1.632 1.443 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.416 -0.796 1.047 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.678 -1.768 2.969 1.00 0.00 C ATOM 0 H VAL A 67 5.438 -3.298 1.740 1.00 0.00 H new ATOM 0 HA VAL A 67 2.571 -3.488 1.097 1.00 0.00 H new ATOM 0 HB VAL A 67 4.543 -1.146 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.494 0.195 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.377 -0.702 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.508 -1.284 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.761 -0.779 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.766 -2.251 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.540 -2.371 3.255 1.00 0.00 H new ATOM 1040 N VAL A 68 4.718 -2.774 -1.313 1.00 0.00 N ATOM 1041 CA VAL A 68 4.791 -2.721 -2.818 1.00 0.00 C ATOM 1042 C VAL A 68 4.366 -4.090 -3.387 1.00 0.00 C ATOM 1043 O VAL A 68 3.737 -4.158 -4.426 1.00 0.00 O ATOM 1044 CB VAL A 68 6.259 -2.404 -3.172 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.468 -2.477 -4.687 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.597 -0.993 -2.686 1.00 0.00 C ATOM 0 H VAL A 68 5.610 -2.679 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 68 4.129 -1.964 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 68 6.908 -3.135 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.508 -2.251 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.226 -3.479 -5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.819 -1.752 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.633 -0.762 -2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.939 -0.273 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.460 -0.938 -1.606 1.00 0.00 H new ATOM 1056 N GLN A 69 4.696 -5.183 -2.717 1.00 0.00 N ATOM 1057 CA GLN A 69 4.286 -6.532 -3.250 1.00 0.00 C ATOM 1058 C GLN A 69 2.756 -6.643 -3.268 1.00 0.00 C ATOM 1059 O GLN A 69 2.177 -7.027 -4.267 1.00 0.00 O ATOM 1060 CB GLN A 69 4.885 -7.588 -2.307 1.00 0.00 C ATOM 1061 CG GLN A 69 4.882 -8.951 -3.000 1.00 0.00 C ATOM 1062 CD GLN A 69 5.565 -9.986 -2.098 1.00 0.00 C ATOM 1063 OE1 GLN A 69 6.769 -9.961 -1.938 1.00 0.00 O ATOM 1064 NE2 GLN A 69 4.848 -10.904 -1.495 1.00 0.00 N ATOM 0 H GLN A 69 5.221 -5.198 -1.842 1.00 0.00 H new ATOM 0 HA GLN A 69 4.644 -6.677 -4.269 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.903 -7.310 -2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.307 -7.636 -1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.859 -9.259 -3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.403 -8.886 -3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.837 -10.929 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.302 -11.593 -0.895 1.00 0.00 H new ATOM 1073 N THR A 70 2.091 -6.304 -2.181 1.00 0.00 N ATOM 1074 CA THR A 70 0.587 -6.397 -2.181 1.00 0.00 C ATOM 1075 C THR A 70 -0.004 -5.449 -3.241 1.00 0.00 C ATOM 1076 O THR A 70 -1.038 -5.740 -3.811 1.00 0.00 O ATOM 1077 CB THR A 70 0.094 -6.030 -0.767 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.321 -6.139 -0.723 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.501 -4.601 -0.409 1.00 0.00 C ATOM 0 H THR A 70 2.512 -5.974 -1.312 1.00 0.00 H new ATOM 0 HA THR A 70 0.262 -7.406 -2.433 1.00 0.00 H new ATOM 0 HB THR A 70 0.546 -6.714 -0.049 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.639 -5.908 0.175 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.144 -4.361 0.592 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.587 -4.514 -0.437 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.063 -3.907 -1.126 1.00 0.00 H new ATOM 1087 N ALA A 71 0.645 -4.332 -3.536 1.00 0.00 N ATOM 1088 CA ALA A 71 0.086 -3.416 -4.594 1.00 0.00 C ATOM 1089 C ALA A 71 0.093 -4.154 -5.941 1.00 0.00 C ATOM 1090 O ALA A 71 -0.855 -4.069 -6.698 1.00 0.00 O ATOM 1091 CB ALA A 71 0.993 -2.174 -4.661 1.00 0.00 C ATOM 0 H ALA A 71 1.515 -4.024 -3.101 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.936 -3.118 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.615 -1.488 -5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.999 -1.675 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.007 -2.478 -4.919 1.00 0.00 H new ATOM 1097 N PHE A 72 1.144 -4.899 -6.239 1.00 0.00 N ATOM 1098 CA PHE A 72 1.168 -5.657 -7.539 1.00 0.00 C ATOM 1099 C PHE A 72 0.073 -6.729 -7.504 1.00 0.00 C ATOM 1100 O PHE A 72 -0.698 -6.865 -8.436 1.00 0.00 O ATOM 1101 CB PHE A 72 2.552 -6.316 -7.649 1.00 0.00 C ATOM 1102 CG PHE A 72 3.560 -5.284 -8.086 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.510 -4.765 -9.385 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.542 -4.844 -7.193 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.444 -3.806 -9.788 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.474 -3.883 -7.599 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.427 -3.364 -8.894 1.00 0.00 C ATOM 0 H PHE A 72 1.969 -5.012 -5.650 1.00 0.00 H new ATOM 0 HA PHE A 72 0.990 -5.003 -8.393 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.843 -6.741 -6.688 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.521 -7.137 -8.365 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.751 -5.105 -10.075 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.581 -5.246 -6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.407 -3.405 -10.790 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.232 -3.542 -6.909 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.148 -2.623 -9.206 1.00 0.00 H new ATOM 1117 N PHE A 73 -0.018 -7.483 -6.423 1.00 0.00 N ATOM 1118 CA PHE A 73 -1.094 -8.531 -6.335 1.00 0.00 C ATOM 1119 C PHE A 73 -2.464 -7.838 -6.388 1.00 0.00 C ATOM 1120 O PHE A 73 -3.361 -8.284 -7.080 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.896 -9.254 -4.988 1.00 0.00 C ATOM 1122 CG PHE A 73 -1.984 -10.283 -4.779 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -2.257 -11.231 -5.774 1.00 0.00 C ATOM 1124 CD2 PHE A 73 -2.718 -10.287 -3.588 1.00 0.00 C ATOM 1125 CE1 PHE A 73 -3.266 -12.182 -5.576 1.00 0.00 C ATOM 1126 CE2 PHE A 73 -3.727 -11.237 -3.390 1.00 0.00 C ATOM 1127 CZ PHE A 73 -4.001 -12.185 -4.384 1.00 0.00 C ATOM 0 H PHE A 73 0.597 -7.418 -5.612 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.043 -9.245 -7.157 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.080 -9.738 -4.968 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.910 -8.530 -4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.690 -11.228 -6.693 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.506 -9.557 -2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.477 -12.913 -6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.294 -11.239 -2.471 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.779 -12.918 -4.231 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.627 -6.734 -5.682 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.945 -6.013 -5.734 1.00 0.00 C ATOM 1139 C ALA A 74 -4.136 -5.431 -7.139 1.00 0.00 C ATOM 1140 O ALA A 74 -5.210 -5.515 -7.708 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.883 -4.885 -4.692 1.00 0.00 C ATOM 0 H ALA A 74 -1.918 -6.310 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.779 -6.681 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.823 -4.334 -4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.717 -5.312 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.065 -4.208 -4.937 1.00 0.00 H new ATOM 1147 N LEU A 75 -3.098 -4.855 -7.714 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.234 -4.288 -9.101 1.00 0.00 C ATOM 1149 C LEU A 75 -3.568 -5.420 -10.079 1.00 0.00 C ATOM 1150 O LEU A 75 -4.421 -5.272 -10.934 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.878 -3.650 -9.452 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.932 -3.027 -10.849 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -2.977 -1.905 -10.876 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -0.550 -2.456 -11.205 1.00 0.00 C ATOM 0 H LEU A 75 -2.176 -4.754 -7.290 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.031 -3.547 -9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.625 -2.887 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.092 -4.404 -9.412 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.209 -3.790 -11.576 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.012 -1.464 -11.872 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.956 -2.313 -10.625 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.707 -1.139 -10.150 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.585 -2.012 -12.200 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.273 -1.694 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.189 -3.257 -11.192 1.00 0.00 H new ATOM 1166 N GLU A 76 -2.922 -6.561 -9.948 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.243 -7.704 -10.872 1.00 0.00 C ATOM 1168 C GLU A 76 -4.634 -8.251 -10.524 1.00 0.00 C ATOM 1169 O GLU A 76 -5.424 -8.546 -11.401 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.170 -8.781 -10.645 1.00 0.00 C ATOM 1171 CG GLU A 76 -0.839 -8.308 -11.234 1.00 0.00 C ATOM 1172 CD GLU A 76 -0.040 -9.516 -11.724 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -0.324 -9.985 -12.814 1.00 0.00 O ATOM 1174 OE2 GLU A 76 0.843 -9.951 -11.003 1.00 0.00 O ATOM 0 H GLU A 76 -2.199 -6.749 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.248 -7.390 -11.916 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.058 -8.979 -9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.475 -9.717 -11.113 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.019 -7.619 -12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.269 -7.763 -10.481 1.00 0.00 H new ATOM 1181 N ALA A 77 -4.947 -8.369 -9.249 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.309 -8.880 -8.862 1.00 0.00 C ATOM 1183 C ALA A 77 -7.387 -7.905 -9.361 1.00 0.00 C ATOM 1184 O ALA A 77 -8.437 -8.321 -9.811 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.337 -8.965 -7.328 1.00 0.00 C ATOM 0 H ALA A 77 -4.329 -8.138 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.506 -9.856 -9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.310 -9.332 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.558 -9.647 -6.987 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.163 -7.975 -6.906 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.136 -6.609 -9.294 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.170 -5.626 -9.785 1.00 0.00 C ATOM 1193 C LEU A 78 -8.481 -5.894 -11.267 1.00 0.00 C ATOM 1194 O LEU A 78 -9.621 -5.815 -11.687 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.560 -4.219 -9.620 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.669 -3.172 -9.425 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.614 -3.179 -10.631 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -9.462 -3.486 -8.153 1.00 0.00 C ATOM 0 H LEU A 78 -6.278 -6.196 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.099 -5.717 -9.223 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.885 -4.207 -8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.965 -3.968 -10.498 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.212 -2.187 -9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.396 -2.434 -10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.052 -2.942 -11.535 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.066 -4.165 -10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.246 -2.741 -8.020 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.912 -4.475 -8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.793 -3.466 -7.293 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.481 -6.219 -12.066 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.747 -6.499 -13.525 1.00 0.00 C ATOM 1212 C GLN A 79 -8.794 -7.619 -13.685 1.00 0.00 C ATOM 1213 O GLN A 79 -9.526 -7.642 -14.657 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.408 -6.941 -14.142 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.495 -5.721 -14.323 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.061 -6.082 -13.911 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -3.605 -7.178 -14.168 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.321 -5.202 -13.278 1.00 0.00 N ATOM 0 H GLN A 79 -6.506 -6.302 -11.777 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.140 -5.611 -14.020 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.925 -7.677 -13.499 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.581 -7.424 -15.104 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.513 -5.392 -15.362 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.859 -4.890 -13.719 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.699 -4.280 -13.060 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.368 -5.440 -13.004 1.00 0.00 H new ATOM 1227 N GLN A 80 -8.878 -8.546 -12.749 1.00 0.00 N ATOM 1228 CA GLN A 80 -9.892 -9.648 -12.882 1.00 0.00 C ATOM 1229 C GLN A 80 -11.213 -9.247 -12.210 1.00 0.00 C ATOM 1230 O GLN A 80 -12.279 -9.536 -12.722 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.287 -10.876 -12.185 1.00 0.00 C ATOM 1232 CG GLN A 80 -9.804 -12.150 -12.854 1.00 0.00 C ATOM 1233 CD GLN A 80 -9.017 -13.359 -12.331 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -9.314 -13.874 -11.271 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -8.018 -13.841 -13.030 1.00 0.00 N ATOM 0 H GLN A 80 -8.297 -8.586 -11.912 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.114 -9.856 -13.929 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.199 -10.839 -12.241 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.552 -10.875 -11.128 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.866 -12.277 -12.646 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.698 -12.074 -13.936 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.765 -13.412 -13.920 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.494 -14.645 -12.684 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.160 -8.584 -11.076 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.422 -8.171 -10.390 1.00 0.00 C ATOM 1246 C GLY A 81 -12.261 -8.309 -8.869 1.00 0.00 C ATOM 1247 O GLY A 81 -12.723 -9.269 -8.281 1.00 0.00 O ATOM 0 H GLY A 81 -10.299 -8.314 -10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.665 -7.140 -10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.252 -8.789 -10.734 1.00 0.00 H new ATOM 1251 N GLU A 82 -11.615 -7.359 -8.223 1.00 0.00 N ATOM 1252 CA GLU A 82 -11.439 -7.446 -6.741 1.00 0.00 C ATOM 1253 C GLU A 82 -12.103 -6.239 -6.060 1.00 0.00 C ATOM 1254 O GLU A 82 -12.346 -5.227 -6.692 1.00 0.00 O ATOM 1255 CB GLU A 82 -9.926 -7.420 -6.521 1.00 0.00 C ATOM 1256 CG GLU A 82 -9.573 -8.260 -5.291 1.00 0.00 C ATOM 1257 CD GLU A 82 -9.832 -9.738 -5.588 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -9.272 -10.236 -6.550 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -10.587 -10.349 -4.848 1.00 0.00 O ATOM 0 H GLU A 82 -11.206 -6.533 -8.660 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.896 -8.341 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.413 -7.810 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.586 -6.394 -6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.527 -8.110 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.169 -7.940 -4.436 1.00 0.00 H new ATOM 1266 N SER A 83 -12.399 -6.329 -4.778 1.00 0.00 N ATOM 1267 CA SER A 83 -13.045 -5.174 -4.079 1.00 0.00 C ATOM 1268 C SER A 83 -12.075 -4.550 -3.065 1.00 0.00 C ATOM 1269 O SER A 83 -11.368 -5.252 -2.365 1.00 0.00 O ATOM 1270 CB SER A 83 -14.262 -5.757 -3.360 1.00 0.00 C ATOM 1271 OG SER A 83 -15.257 -6.092 -4.316 1.00 0.00 O ATOM 0 H SER A 83 -12.221 -7.147 -4.195 1.00 0.00 H new ATOM 0 HA SER A 83 -13.327 -4.387 -4.778 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.974 -6.642 -2.793 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.657 -5.035 -2.645 1.00 0.00 H new ATOM 0 HG SER A 83 -16.038 -6.468 -3.858 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.033 -3.237 -2.982 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.100 -2.577 -2.005 1.00 0.00 C ATOM 1279 C ALA A 84 -11.849 -2.121 -0.734 1.00 0.00 C ATOM 1280 O ALA A 84 -11.286 -2.127 0.345 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.510 -1.368 -2.746 1.00 0.00 C ATOM 0 H ALA A 84 -12.598 -2.599 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.325 -3.268 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.819 -0.840 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.977 -1.710 -3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.314 -0.695 -3.042 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.103 -1.716 -0.841 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.847 -1.256 0.390 1.00 0.00 C ATOM 1289 C GLU A 85 -13.902 -2.376 1.440 1.00 0.00 C ATOM 1290 O GLU A 85 -13.784 -2.119 2.625 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.270 -0.890 -0.064 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.922 0.016 0.982 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.943 0.930 0.301 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -16.549 1.994 -0.148 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -18.101 0.551 0.242 1.00 0.00 O ATOM 0 H GLU A 85 -13.635 -1.684 -1.711 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.345 -0.403 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.236 -0.384 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.864 -1.794 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.411 -0.587 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.162 0.614 1.485 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.084 -3.612 1.026 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.148 -4.737 2.032 1.00 0.00 C ATOM 1304 C ASN A 86 -12.857 -4.790 2.859 1.00 0.00 C ATOM 1305 O ASN A 86 -12.895 -5.045 4.048 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.319 -6.040 1.233 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.747 -6.121 0.682 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.661 -5.567 1.260 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -15.986 -6.792 -0.419 1.00 0.00 N ATOM 0 H ASN A 86 -14.190 -3.892 0.051 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.976 -4.590 2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.600 -6.074 0.414 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.115 -6.900 1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.936 -6.847 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.222 -7.259 -0.908 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.713 -4.548 2.250 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.433 -4.588 3.045 1.00 0.00 C ATOM 1318 C ILE A 87 -10.434 -3.459 4.094 1.00 0.00 C ATOM 1319 O ILE A 87 -9.938 -3.637 5.191 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.278 -4.405 2.041 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.285 -5.566 1.041 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.941 -4.399 2.787 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.736 -5.091 -0.308 1.00 0.00 C ATOM 0 H ILE A 87 -11.609 -4.329 1.259 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.325 -5.531 3.580 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.407 -3.460 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.680 -6.389 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.299 -5.946 0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.127 -4.269 2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.929 -3.579 3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.814 -5.345 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.743 -5.920 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.359 -4.282 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.715 -4.732 -0.179 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.988 -2.301 3.778 1.00 0.00 N ATOM 1336 CA VAL A 88 -11.005 -1.185 4.794 1.00 0.00 C ATOM 1337 C VAL A 88 -11.781 -1.622 6.046 1.00 0.00 C ATOM 1338 O VAL A 88 -11.412 -1.277 7.152 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.693 0.023 4.131 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.739 1.197 5.113 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.901 0.440 2.893 1.00 0.00 C ATOM 0 H VAL A 88 -11.420 -2.083 2.880 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.993 -0.927 5.105 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.708 -0.254 3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.227 2.049 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.299 0.906 6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.724 1.473 5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.386 1.295 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.887 0.713 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.864 -0.390 2.188 1.00 0.00 H new ATOM 1351 N SER A 89 -12.851 -2.383 5.892 1.00 0.00 N ATOM 1352 CA SER A 89 -13.627 -2.830 7.110 1.00 0.00 C ATOM 1353 C SER A 89 -12.687 -3.567 8.074 1.00 0.00 C ATOM 1354 O SER A 89 -12.732 -3.354 9.272 1.00 0.00 O ATOM 1355 CB SER A 89 -14.730 -3.777 6.615 1.00 0.00 C ATOM 1356 OG SER A 89 -15.824 -3.011 6.129 1.00 0.00 O ATOM 0 H SER A 89 -13.215 -2.708 4.996 1.00 0.00 H new ATOM 0 HA SER A 89 -14.059 -1.981 7.640 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.344 -4.422 5.826 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.058 -4.427 7.426 1.00 0.00 H new ATOM 0 HG SER A 89 -16.529 -3.613 5.811 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.819 -4.415 7.561 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.860 -5.134 8.471 1.00 0.00 C ATOM 1364 C LYS A 90 -9.825 -4.141 9.019 1.00 0.00 C ATOM 1365 O LYS A 90 -9.411 -4.247 10.159 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.168 -6.217 7.626 1.00 0.00 C ATOM 1367 CG LYS A 90 -11.137 -7.378 7.391 1.00 0.00 C ATOM 1368 CD LYS A 90 -10.903 -7.965 5.997 1.00 0.00 C ATOM 1369 CE LYS A 90 -9.786 -9.010 6.064 1.00 0.00 C ATOM 1370 NZ LYS A 90 -10.476 -10.287 6.397 1.00 0.00 N ATOM 0 H LYS A 90 -11.733 -4.638 6.569 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.378 -5.581 9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.847 -5.799 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.273 -6.574 8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.991 -8.147 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.166 -7.031 7.483 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.820 -8.421 5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.633 -7.173 5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.256 -9.083 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.047 -8.751 6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.776 -11.053 6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.966 -10.189 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.168 -10.511 5.654 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.414 -3.163 8.233 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.417 -2.165 8.754 1.00 0.00 C ATOM 1386 C ILE A 91 -9.095 -1.256 9.788 1.00 0.00 C ATOM 1387 O ILE A 91 -8.504 -0.918 10.796 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.926 -1.342 7.544 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.263 -2.267 6.509 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.907 -0.298 8.009 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.117 -3.055 7.159 1.00 0.00 C ATOM 0 H ILE A 91 -9.720 -3.016 7.271 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.576 -2.659 9.242 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.782 -0.844 7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.002 -2.956 6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.882 -1.678 5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.563 0.281 7.152 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.374 0.369 8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.058 -0.800 8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.656 -3.706 6.416 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.371 -2.360 7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.509 -3.659 7.977 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.332 -0.864 9.556 1.00 0.00 N ATOM 1404 CA ARG A 92 -11.027 0.020 10.559 1.00 0.00 C ATOM 1405 C ARG A 92 -11.139 -0.704 11.908 1.00 0.00 C ATOM 1406 O ARG A 92 -11.003 -0.090 12.950 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.424 0.327 9.998 1.00 0.00 C ATOM 1408 CG ARG A 92 -13.092 1.406 10.851 1.00 0.00 C ATOM 1409 CD ARG A 92 -12.557 2.783 10.446 1.00 0.00 C ATOM 1410 NE ARG A 92 -13.751 3.674 10.447 1.00 0.00 N ATOM 1411 CZ ARG A 92 -14.268 4.070 11.578 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -13.627 4.925 12.326 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -15.429 3.611 11.960 1.00 0.00 N ATOM 0 H ARG A 92 -10.882 -1.111 8.733 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.468 0.941 10.722 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.346 0.663 8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.033 -0.577 9.995 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -14.173 1.371 10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.894 1.224 11.907 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.801 3.135 11.148 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.089 2.751 9.462 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.164 3.974 9.564 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.721 5.285 12.027 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.032 5.234 13.210 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.931 2.943 11.375 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.834 3.920 12.844 1.00 0.00 H new ATOM 1427 N MET A 93 -11.373 -2.002 11.906 1.00 0.00 N ATOM 1428 CA MET A 93 -11.472 -2.733 13.218 1.00 0.00 C ATOM 1429 C MET A 93 -10.074 -2.873 13.834 1.00 0.00 C ATOM 1430 O MET A 93 -9.905 -2.718 15.030 1.00 0.00 O ATOM 1431 CB MET A 93 -12.070 -4.116 12.915 1.00 0.00 C ATOM 1432 CG MET A 93 -12.524 -4.774 14.220 1.00 0.00 C ATOM 1433 SD MET A 93 -13.653 -6.138 13.845 1.00 0.00 S ATOM 1434 CE MET A 93 -14.437 -6.236 15.473 1.00 0.00 C ATOM 0 H MET A 93 -11.497 -2.576 11.072 1.00 0.00 H new ATOM 0 HA MET A 93 -12.098 -2.194 13.929 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.914 -4.017 12.233 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.330 -4.743 12.418 1.00 0.00 H new ATOM 0 HG2 MET A 93 -11.661 -5.144 14.773 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.020 -4.041 14.856 1.00 0.00 H new ATOM 0 HE1 MET A 93 -15.185 -7.029 15.470 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.681 -6.453 16.228 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.918 -5.285 15.703 1.00 0.00 H new ATOM 1444 N MET A 94 -9.066 -3.143 13.031 1.00 0.00 N ATOM 1445 CA MET A 94 -7.678 -3.265 13.598 1.00 0.00 C ATOM 1446 C MET A 94 -7.144 -1.871 13.957 1.00 0.00 C ATOM 1447 O MET A 94 -6.476 -1.706 14.960 1.00 0.00 O ATOM 1448 CB MET A 94 -6.806 -3.915 12.513 1.00 0.00 C ATOM 1449 CG MET A 94 -7.150 -5.401 12.404 1.00 0.00 C ATOM 1450 SD MET A 94 -6.077 -6.181 11.172 1.00 0.00 S ATOM 1451 CE MET A 94 -4.797 -6.751 12.317 1.00 0.00 C ATOM 0 H MET A 94 -9.141 -3.282 12.023 1.00 0.00 H new ATOM 0 HA MET A 94 -7.670 -3.869 14.505 1.00 0.00 H new ATOM 0 HB2 MET A 94 -6.971 -3.422 11.555 1.00 0.00 H new ATOM 0 HB3 MET A 94 -5.751 -3.792 12.758 1.00 0.00 H new ATOM 0 HG2 MET A 94 -7.023 -5.886 13.372 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.195 -5.523 12.121 1.00 0.00 H new ATOM 0 HE1 MET A 94 -4.017 -7.271 11.761 1.00 0.00 H new ATOM 0 HE2 MET A 94 -4.364 -5.895 12.834 1.00 0.00 H new ATOM 0 HE3 MET A 94 -5.238 -7.431 13.046 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.448 -0.862 13.163 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.956 0.519 13.505 1.00 0.00 C ATOM 1463 C ASN A 95 -7.740 1.064 14.709 1.00 0.00 C ATOM 1464 O ASN A 95 -7.188 1.760 15.541 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.186 1.401 12.267 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.966 1.315 11.341 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.774 0.243 10.607 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.174 2.234 11.282 1.00 0.00 N flip ATOM 0 H ASN A 95 -8.004 -0.932 12.311 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.899 0.507 13.772 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.081 1.075 11.737 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.353 2.435 12.570 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.318 3.069 11.850 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.365 2.171 10.665 1.00 0.00 H new