USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 719 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 90 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.1) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 75 THR OG1 : rot 130:sc= -0.184 USER MOD Set 2.2: A 79 GLN : amide:sc= 0 X(o=-0.18,f=-0.18) USER MOD Set 3.1: A 67 SER OG : rot 71:sc= 0.706 USER MOD Set 3.2: A 86 ASN :FLIP amide:sc= -2.61! F(o=-2.6,f=-1.9!) USER MOD Set 4.1: A 21 THR OG1 : rot 180:sc= 0.352 USER MOD Set 4.2: A 31 THR OG1 : rot -94:sc= 0.243 USER MOD Set 5.1: A 30 ASN :FLIP amide:sc= 0 F(o=-1,f=-0.36) USER MOD Set 5.2: A 32 SER OG : rot 72:sc= -0.361 USER MOD Set 6.1: A 7 THR OG1 : rot -62:sc= 1.12 USER MOD Set 6.2: A 93 ASN : amide:sc= -2.21 K(o=-1.1,f=-7.1!) USER MOD Single : A 1 LEU N :NH3+ -126:sc= -2.04! (180deg=-4.86!) USER MOD Single : A 3 LYS NZ :NH3+ 150:sc= -0.154 (180deg=-0.971) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.4!) USER MOD Single : A 9 TYR OH : rot -13:sc= -0.199 USER MOD Single : A 10 ASN : amide:sc= -1.02 K(o=-1,f=-3.2!) USER MOD Single : A 11 SER OG : rot 172:sc= -0.0846 USER MOD Single : A 14 GLN : amide:sc= -0.678 X(o=-0.68,f=-0.43) USER MOD Single : A 16 SER OG : rot 84:sc= 0.269 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0842 USER MOD Single : A 20 SER OG : rot -10:sc= 0.666 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 26 ASN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.21 F(o=-2.4!,f=-1.2) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00176) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0321 F(o=-1.5!,f=-0.032) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0605 X(o=-0.06,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.248 F(o=-0.9,f=-0.25) USER MOD Single : A 61 THR OG1 : rot 156:sc= 0.256 USER MOD Single : A 62 GLN : amide:sc= -0.0161 K(o=-0.016,f=-0.86) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0601 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -40:sc= -1.56 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -77:sc= 0.763 USER MOD Single : A 99 LYS NZ :NH3+ 151:sc= -0.214 (180deg=-1.41!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -4.350 -1.983 -14.977 1.00 0.00 N ATOM 2 CA LEU A 1 -3.794 -2.546 -13.751 1.00 0.00 C ATOM 3 C LEU A 1 -3.686 -1.468 -12.673 1.00 0.00 C ATOM 4 O LEU A 1 -3.365 -0.315 -12.959 1.00 0.00 O ATOM 5 CB LEU A 1 -2.391 -3.134 -14.026 1.00 0.00 C ATOM 6 CG LEU A 1 -2.494 -4.538 -14.642 1.00 0.00 C ATOM 7 CD1 LEU A 1 -3.086 -4.448 -16.050 1.00 0.00 C ATOM 8 CD2 LEU A 1 -1.093 -5.159 -14.725 1.00 0.00 C ATOM 0 H1 LEU A 1 -5.176 -2.542 -15.272 1.00 0.00 H new ATOM 0 H2 LEU A 1 -4.641 -0.999 -14.806 1.00 0.00 H new ATOM 0 H3 LEU A 1 -3.630 -2.006 -15.727 1.00 0.00 H new ATOM 0 HA LEU A 1 -4.458 -3.337 -13.403 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -1.843 -2.476 -14.701 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -1.824 -3.181 -13.096 1.00 0.00 H new ATOM 0 HG LEU A 1 -3.139 -5.156 -14.018 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -3.156 -5.447 -16.480 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -4.080 -4.005 -15.999 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -2.444 -3.828 -16.676 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.162 -6.155 -15.162 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -0.454 -4.533 -15.348 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -0.667 -5.230 -13.724 1.00 0.00 H new ATOM 22 N GLY A 2 -3.933 -1.865 -11.429 1.00 0.00 N ATOM 23 CA GLY A 2 -3.834 -0.948 -10.308 1.00 0.00 C ATOM 24 C GLY A 2 -5.017 -0.007 -10.184 1.00 0.00 C ATOM 25 O GLY A 2 -6.175 -0.409 -10.299 1.00 0.00 O ATOM 0 H GLY A 2 -4.203 -2.816 -11.176 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.740 -1.523 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.922 -0.360 -10.411 1.00 0.00 H new ATOM 29 N LYS A 3 -4.697 1.263 -9.975 1.00 0.00 N ATOM 30 CA LYS A 3 -5.704 2.313 -9.856 1.00 0.00 C ATOM 31 C LYS A 3 -6.903 1.867 -8.987 1.00 0.00 C ATOM 32 O LYS A 3 -8.055 2.133 -9.326 1.00 0.00 O ATOM 33 CB LYS A 3 -6.168 2.718 -11.283 1.00 0.00 C ATOM 34 CG LYS A 3 -5.345 3.906 -11.812 1.00 0.00 C ATOM 35 CD LYS A 3 -3.874 3.508 -11.944 1.00 0.00 C ATOM 36 CE LYS A 3 -3.068 4.700 -12.469 1.00 0.00 C ATOM 37 NZ LYS A 3 -3.345 5.902 -11.630 1.00 0.00 N ATOM 0 H LYS A 3 -3.737 1.595 -9.883 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.262 3.173 -9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.064 1.869 -11.958 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.225 2.982 -11.265 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.732 4.224 -12.780 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.441 4.755 -11.135 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.484 3.189 -10.977 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.775 2.661 -12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.003 4.468 -12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.332 4.901 -13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.507 6.518 -11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.153 6.424 -12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.569 5.604 -10.659 1.00 0.00 H new ATOM 51 N PHE A 4 -6.641 1.215 -7.853 1.00 0.00 N ATOM 52 CA PHE A 4 -7.745 0.798 -6.980 1.00 0.00 C ATOM 53 C PHE A 4 -8.495 2.031 -6.470 1.00 0.00 C ATOM 54 O PHE A 4 -9.721 2.028 -6.372 1.00 0.00 O ATOM 55 CB PHE A 4 -7.248 -0.049 -5.786 1.00 0.00 C ATOM 56 CG PHE A 4 -6.550 0.821 -4.763 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.333 1.430 -5.098 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.110 1.021 -3.479 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.665 2.239 -4.167 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.440 1.834 -2.538 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.214 2.444 -2.883 1.00 0.00 C ATOM 0 H PHE A 4 -5.708 0.969 -7.523 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.417 0.174 -7.569 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.091 -0.560 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.564 -0.820 -6.141 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.907 1.276 -6.078 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.048 0.553 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.728 2.706 -4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.864 1.989 -1.557 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.698 3.066 -2.166 1.00 0.00 H new ATOM 71 N SER A 5 -7.738 3.081 -6.152 1.00 0.00 N ATOM 72 CA SER A 5 -8.319 4.328 -5.650 1.00 0.00 C ATOM 73 C SER A 5 -9.444 4.827 -6.551 1.00 0.00 C ATOM 74 O SER A 5 -10.365 5.498 -6.085 1.00 0.00 O ATOM 75 CB SER A 5 -7.237 5.399 -5.551 1.00 0.00 C ATOM 76 OG SER A 5 -7.703 6.462 -4.729 1.00 0.00 O ATOM 0 H SER A 5 -6.721 3.094 -6.233 1.00 0.00 H new ATOM 0 HA SER A 5 -8.737 4.126 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.325 4.973 -5.133 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.988 5.774 -6.544 1.00 0.00 H new ATOM 0 HG SER A 5 -7.010 7.152 -4.662 1.00 0.00 H new ATOM 82 N GLN A 6 -9.365 4.510 -7.839 1.00 0.00 N ATOM 83 CA GLN A 6 -10.390 4.954 -8.777 1.00 0.00 C ATOM 84 C GLN A 6 -11.750 4.375 -8.406 1.00 0.00 C ATOM 85 O GLN A 6 -12.784 4.987 -8.667 1.00 0.00 O ATOM 86 CB GLN A 6 -10.023 4.539 -10.206 1.00 0.00 C ATOM 87 CG GLN A 6 -8.798 5.333 -10.684 1.00 0.00 C ATOM 88 CD GLN A 6 -8.640 5.170 -12.197 1.00 0.00 C ATOM 89 OE1 GLN A 6 -9.460 4.546 -12.841 1.00 0.00 O ATOM 90 NE2 GLN A 6 -7.618 5.715 -12.796 1.00 0.00 N ATOM 0 H GLN A 6 -8.615 3.956 -8.253 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.447 6.041 -8.725 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.810 3.470 -10.240 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.866 4.718 -10.874 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.914 6.387 -10.432 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.902 4.980 -10.174 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.930 6.239 -12.255 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.507 5.618 -13.805 1.00 0.00 H new ATOM 99 N THR A 7 -11.742 3.197 -7.783 1.00 0.00 N ATOM 100 CA THR A 7 -12.984 2.539 -7.361 1.00 0.00 C ATOM 101 C THR A 7 -12.859 2.076 -5.914 1.00 0.00 C ATOM 102 O THR A 7 -13.448 1.071 -5.515 1.00 0.00 O ATOM 103 CB THR A 7 -13.297 1.323 -8.252 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.395 0.607 -7.705 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.077 0.413 -8.320 1.00 0.00 C ATOM 0 H THR A 7 -10.893 2.678 -7.559 1.00 0.00 H new ATOM 0 HA THR A 7 -13.795 3.261 -7.454 1.00 0.00 H new ATOM 0 HB THR A 7 -13.549 1.663 -9.256 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.158 0.276 -6.813 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.300 -0.447 -8.951 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.236 0.963 -8.741 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.822 0.071 -7.317 1.00 0.00 H new ATOM 113 N CYS A 8 -12.095 2.839 -5.128 1.00 0.00 N ATOM 114 CA CYS A 8 -11.893 2.537 -3.708 1.00 0.00 C ATOM 115 C CYS A 8 -11.886 3.824 -2.894 1.00 0.00 C ATOM 116 O CYS A 8 -11.229 4.799 -3.256 1.00 0.00 O ATOM 117 CB CYS A 8 -10.582 1.772 -3.495 1.00 0.00 C ATOM 118 SG CYS A 8 -10.760 0.085 -4.116 1.00 0.00 S ATOM 0 H CYS A 8 -11.605 3.673 -5.452 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.717 1.907 -3.371 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.766 2.277 -4.012 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.326 1.756 -2.436 1.00 0.00 H new ATOM 123 N TYR A 9 -12.636 3.817 -1.791 1.00 0.00 N ATOM 124 CA TYR A 9 -12.736 4.984 -0.910 1.00 0.00 C ATOM 125 C TYR A 9 -12.573 4.565 0.548 1.00 0.00 C ATOM 126 O TYR A 9 -12.595 3.377 0.865 1.00 0.00 O ATOM 127 CB TYR A 9 -14.094 5.664 -1.105 1.00 0.00 C ATOM 128 CG TYR A 9 -15.212 4.702 -0.761 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.673 3.778 -1.726 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.799 4.730 0.521 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.720 2.885 -1.405 1.00 0.00 C ATOM 132 CE2 TYR A 9 -16.846 3.838 0.842 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.306 2.915 -0.121 1.00 0.00 C ATOM 134 OH TYR A 9 -18.349 2.064 0.183 1.00 0.00 O ATOM 0 H TYR A 9 -13.185 3.014 -1.485 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.940 5.685 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.159 6.550 -0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.197 5.999 -2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.225 3.754 -2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.447 5.435 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.072 2.179 -2.143 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.294 3.862 1.824 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.698 1.667 -0.642 1.00 0.00 H new ATOM 144 N ASN A 10 -12.385 5.554 1.422 1.00 0.00 N ATOM 145 CA ASN A 10 -12.193 5.295 2.847 1.00 0.00 C ATOM 146 C ASN A 10 -10.950 4.443 3.063 1.00 0.00 C ATOM 147 O ASN A 10 -10.943 3.531 3.891 1.00 0.00 O ATOM 148 CB ASN A 10 -13.419 4.595 3.446 1.00 0.00 C ATOM 149 CG ASN A 10 -13.219 4.408 4.951 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.342 5.007 5.539 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.005 3.595 5.603 1.00 0.00 N ATOM 0 H ASN A 10 -12.362 6.541 1.167 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.063 6.252 3.352 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.315 5.186 3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.569 3.628 2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.882 3.463 6.607 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.742 3.092 5.109 1.00 0.00 H new ATOM 158 N SER A 11 -9.895 4.752 2.311 1.00 0.00 N ATOM 159 CA SER A 11 -8.645 4.014 2.426 1.00 0.00 C ATOM 160 C SER A 11 -7.928 4.386 3.720 1.00 0.00 C ATOM 161 O SER A 11 -8.168 5.450 4.288 1.00 0.00 O ATOM 162 CB SER A 11 -7.744 4.303 1.221 1.00 0.00 C ATOM 163 OG SER A 11 -7.698 5.703 0.994 1.00 0.00 O ATOM 0 H SER A 11 -9.883 5.503 1.621 1.00 0.00 H new ATOM 0 HA SER A 11 -8.872 2.948 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.740 3.919 1.403 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.125 3.792 0.337 1.00 0.00 H new ATOM 0 HG SER A 11 -7.021 5.902 0.314 1.00 0.00 H new ATOM 169 N ALA A 12 -7.052 3.501 4.183 1.00 0.00 N ATOM 170 CA ALA A 12 -6.310 3.746 5.415 1.00 0.00 C ATOM 171 C ALA A 12 -5.096 2.832 5.493 1.00 0.00 C ATOM 172 O ALA A 12 -5.094 1.741 4.928 1.00 0.00 O ATOM 173 CB ALA A 12 -7.210 3.504 6.616 1.00 0.00 C ATOM 0 H ALA A 12 -6.839 2.613 3.728 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.972 4.782 5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.650 3.688 7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.066 4.178 6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.560 2.472 6.606 1.00 0.00 H new ATOM 179 N ILE A 13 -4.058 3.287 6.195 1.00 0.00 N ATOM 180 CA ILE A 13 -2.827 2.510 6.350 1.00 0.00 C ATOM 181 C ILE A 13 -2.336 2.620 7.786 1.00 0.00 C ATOM 182 O ILE A 13 -2.312 3.710 8.358 1.00 0.00 O ATOM 183 CB ILE A 13 -1.724 3.033 5.406 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.286 3.110 3.983 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.514 2.084 5.432 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.246 3.709 3.033 1.00 0.00 C ATOM 0 H ILE A 13 -4.045 4.191 6.666 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.044 1.471 6.101 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.402 4.021 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.569 2.114 3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.190 3.719 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.259 2.462 4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.119 2.026 6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.823 1.091 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.659 3.758 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.984 4.713 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.353 3.083 3.029 1.00 0.00 H new ATOM 198 N GLN A 14 -1.932 1.490 8.370 1.00 0.00 N ATOM 199 CA GLN A 14 -1.438 1.499 9.744 1.00 0.00 C ATOM 200 C GLN A 14 -0.499 0.325 10.005 1.00 0.00 C ATOM 201 O GLN A 14 -0.913 -0.766 10.395 1.00 0.00 O ATOM 202 CB GLN A 14 -2.616 1.480 10.730 1.00 0.00 C ATOM 203 CG GLN A 14 -2.160 1.949 12.120 1.00 0.00 C ATOM 204 CD GLN A 14 -1.701 3.410 12.055 1.00 0.00 C ATOM 205 OE1 GLN A 14 -2.509 4.317 12.037 1.00 0.00 O ATOM 206 NE2 GLN A 14 -0.423 3.674 12.002 1.00 0.00 N ATOM 0 H GLN A 14 -1.937 0.574 7.921 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.868 2.416 9.893 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.414 2.126 10.365 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.027 0.473 10.796 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.978 1.847 12.834 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.345 1.319 12.477 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.256 2.913 12.017 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.104 4.641 11.946 1.00 0.00 H new ATOM 215 N GLY A 15 0.775 0.589 9.753 1.00 0.00 N ATOM 216 CA GLY A 15 1.837 -0.393 9.919 1.00 0.00 C ATOM 217 C GLY A 15 2.266 -0.976 8.591 1.00 0.00 C ATOM 218 O GLY A 15 3.318 -0.630 8.064 1.00 0.00 O ATOM 0 H GLY A 15 1.103 1.497 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.693 0.074 10.406 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.495 -1.193 10.575 1.00 0.00 H new ATOM 222 N SER A 16 1.443 -1.861 8.044 1.00 0.00 N ATOM 223 CA SER A 16 1.751 -2.489 6.761 1.00 0.00 C ATOM 224 C SER A 16 0.501 -3.117 6.180 1.00 0.00 C ATOM 225 O SER A 16 0.561 -4.122 5.474 1.00 0.00 O ATOM 226 CB SER A 16 2.817 -3.558 6.951 1.00 0.00 C ATOM 227 OG SER A 16 2.226 -4.715 7.528 1.00 0.00 O ATOM 0 H SER A 16 0.563 -2.160 8.463 1.00 0.00 H new ATOM 0 HA SER A 16 2.122 -1.728 6.075 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.272 -3.808 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.613 -3.183 7.594 1.00 0.00 H new ATOM 0 HG SER A 16 1.822 -5.262 6.823 1.00 0.00 H new ATOM 233 N VAL A 17 -0.636 -2.510 6.494 1.00 0.00 N ATOM 234 CA VAL A 17 -1.925 -3.001 6.016 1.00 0.00 C ATOM 235 C VAL A 17 -2.768 -1.868 5.461 1.00 0.00 C ATOM 236 O VAL A 17 -3.060 -0.894 6.149 1.00 0.00 O ATOM 237 CB VAL A 17 -2.704 -3.701 7.150 1.00 0.00 C ATOM 238 CG1 VAL A 17 -2.961 -2.722 8.307 1.00 0.00 C ATOM 239 CG2 VAL A 17 -4.036 -4.231 6.602 1.00 0.00 C ATOM 0 H VAL A 17 -0.693 -1.676 7.078 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.723 -3.719 5.222 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.111 -4.534 7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.511 -3.231 9.099 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.009 -2.364 8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.545 -1.876 7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.587 -4.726 7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.626 -3.401 6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.842 -4.944 5.800 1.00 0.00 H new ATOM 249 N LEU A 18 -3.196 -2.035 4.216 1.00 0.00 N ATOM 250 CA LEU A 18 -4.059 -1.066 3.565 1.00 0.00 C ATOM 251 C LEU A 18 -5.476 -1.546 3.804 1.00 0.00 C ATOM 252 O LEU A 18 -5.746 -2.733 3.665 1.00 0.00 O ATOM 253 CB LEU A 18 -3.744 -1.030 2.060 1.00 0.00 C ATOM 254 CG LEU A 18 -4.666 -0.049 1.302 1.00 0.00 C ATOM 255 CD1 LEU A 18 -4.273 1.404 1.598 1.00 0.00 C ATOM 256 CD2 LEU A 18 -4.533 -0.310 -0.204 1.00 0.00 C ATOM 0 H LEU A 18 -2.956 -2.839 3.636 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.916 -0.058 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.704 -0.738 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.856 -2.030 1.642 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.694 -0.205 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.935 2.078 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.361 1.594 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.244 1.574 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.179 0.377 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.498 -0.156 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.827 -1.337 -0.423 1.00 0.00 H new ATOM 268 N THR A 19 -6.387 -0.647 4.139 1.00 0.00 N ATOM 269 CA THR A 19 -7.781 -1.017 4.370 1.00 0.00 C ATOM 270 C THR A 19 -8.623 0.005 3.646 1.00 0.00 C ATOM 271 O THR A 19 -8.471 1.200 3.883 1.00 0.00 O ATOM 272 CB THR A 19 -8.126 -0.986 5.878 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.426 -2.027 6.544 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.632 -1.180 6.077 1.00 0.00 C ATOM 0 H THR A 19 -6.190 0.347 4.258 1.00 0.00 H new ATOM 0 HA THR A 19 -7.966 -2.030 4.011 1.00 0.00 H new ATOM 0 HB THR A 19 -7.832 -0.021 6.290 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.642 -2.007 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.864 -1.157 7.142 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.172 -0.380 5.570 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.933 -2.141 5.661 1.00 0.00 H new ATOM 282 N SER A 20 -9.490 -0.443 2.747 1.00 0.00 N ATOM 283 CA SER A 20 -10.311 0.487 1.984 1.00 0.00 C ATOM 284 C SER A 20 -11.597 -0.172 1.517 1.00 0.00 C ATOM 285 O SER A 20 -11.618 -1.354 1.171 1.00 0.00 O ATOM 286 CB SER A 20 -9.519 0.973 0.760 1.00 0.00 C ATOM 287 OG SER A 20 -10.092 2.180 0.279 1.00 0.00 O ATOM 0 H SER A 20 -9.642 -1.428 2.531 1.00 0.00 H new ATOM 0 HA SER A 20 -10.569 1.327 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.475 1.134 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.533 0.213 -0.022 1.00 0.00 H new ATOM 0 HG SER A 20 -10.948 2.337 0.729 1.00 0.00 H new ATOM 293 N THR A 21 -12.663 0.619 1.483 1.00 0.00 N ATOM 294 CA THR A 21 -13.957 0.139 1.021 1.00 0.00 C ATOM 295 C THR A 21 -14.042 0.358 -0.476 1.00 0.00 C ATOM 296 O THR A 21 -13.858 1.475 -0.954 1.00 0.00 O ATOM 297 CB THR A 21 -15.105 0.885 1.718 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.889 0.860 3.122 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.434 0.201 1.393 1.00 0.00 C ATOM 0 H THR A 21 -12.655 1.598 1.771 1.00 0.00 H new ATOM 0 HA THR A 21 -14.052 -0.920 1.260 1.00 0.00 H new ATOM 0 HB THR A 21 -15.138 1.917 1.368 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.617 1.336 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.247 0.732 1.888 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.596 0.214 0.315 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.407 -0.831 1.744 1.00 0.00 H new ATOM 307 N CYS A 22 -14.307 -0.715 -1.218 1.00 0.00 N ATOM 308 CA CYS A 22 -14.394 -0.638 -2.676 1.00 0.00 C ATOM 309 C CYS A 22 -15.720 -1.185 -3.170 1.00 0.00 C ATOM 310 O CYS A 22 -16.340 -2.030 -2.526 1.00 0.00 O ATOM 311 CB CYS A 22 -13.243 -1.428 -3.297 1.00 0.00 C ATOM 312 SG CYS A 22 -11.670 -0.880 -2.597 1.00 0.00 S ATOM 0 H CYS A 22 -14.465 -1.647 -0.835 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.325 0.408 -2.974 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.381 -2.493 -3.113 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.237 -1.290 -4.378 1.00 0.00 H new ATOM 317 N GLU A 23 -16.147 -0.679 -4.318 1.00 0.00 N ATOM 318 CA GLU A 23 -17.407 -1.095 -4.914 1.00 0.00 C ATOM 319 C GLU A 23 -17.283 -2.488 -5.524 1.00 0.00 C ATOM 320 O GLU A 23 -16.487 -2.709 -6.437 1.00 0.00 O ATOM 321 CB GLU A 23 -17.820 -0.089 -5.992 1.00 0.00 C ATOM 322 CG GLU A 23 -17.670 1.337 -5.448 1.00 0.00 C ATOM 323 CD GLU A 23 -18.108 2.342 -6.514 1.00 0.00 C ATOM 324 OE1 GLU A 23 -17.837 2.097 -7.677 1.00 0.00 O ATOM 325 OE2 GLU A 23 -18.705 3.342 -6.148 1.00 0.00 O ATOM 0 H GLU A 23 -15.637 0.022 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.168 -1.129 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.201 -0.217 -6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.852 -0.267 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.274 1.459 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.634 1.521 -5.164 1.00 0.00 H new ATOM 332 N ARG A 24 -18.090 -3.418 -5.024 1.00 0.00 N ATOM 333 CA ARG A 24 -18.075 -4.782 -5.540 1.00 0.00 C ATOM 334 C ARG A 24 -18.514 -4.787 -6.995 1.00 0.00 C ATOM 335 O ARG A 24 -19.224 -3.886 -7.440 1.00 0.00 O ATOM 336 CB ARG A 24 -19.013 -5.687 -4.729 1.00 0.00 C ATOM 337 CG ARG A 24 -18.587 -5.726 -3.246 1.00 0.00 C ATOM 338 CD ARG A 24 -19.171 -6.974 -2.543 1.00 0.00 C ATOM 339 NE ARG A 24 -18.129 -8.040 -2.504 1.00 0.00 N ATOM 340 CZ ARG A 24 -18.354 -9.153 -1.861 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.526 -9.376 -1.333 1.00 0.00 N ATOM 342 NH2 ARG A 24 -17.406 -10.043 -1.748 1.00 0.00 N ATOM 0 H ARG A 24 -18.757 -3.255 -4.269 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.058 -5.165 -5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.037 -5.322 -4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.001 -6.695 -5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.499 -5.738 -3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.930 -4.823 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.490 -6.722 -1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -20.053 -7.329 -3.076 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.238 -7.899 -2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.267 -8.680 -1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.702 -10.246 -0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.490 -9.868 -2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.581 -10.913 -1.246 1.00 0.00 H new ATOM 356 N THR A 25 -18.095 -5.810 -7.734 1.00 0.00 N ATOM 357 CA THR A 25 -18.457 -5.931 -9.144 1.00 0.00 C ATOM 358 C THR A 25 -19.749 -6.728 -9.280 1.00 0.00 C ATOM 359 O THR A 25 -20.503 -6.553 -10.236 1.00 0.00 O ATOM 360 CB THR A 25 -17.344 -6.649 -9.930 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.143 -5.895 -9.837 1.00 0.00 O ATOM 362 CG2 THR A 25 -17.749 -6.781 -11.398 1.00 0.00 C ATOM 0 H THR A 25 -17.506 -6.565 -7.382 1.00 0.00 H new ATOM 0 HA THR A 25 -18.593 -4.928 -9.549 1.00 0.00 H new ATOM 0 HB THR A 25 -17.188 -7.643 -9.510 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.432 -6.350 -10.335 1.00 0.00 H new ATOM 0 HG21 THR A 25 -16.958 -7.290 -11.949 1.00 0.00 H new ATOM 0 HG22 THR A 25 -18.671 -7.358 -11.471 1.00 0.00 H new ATOM 0 HG23 THR A 25 -17.907 -5.790 -11.822 1.00 0.00 H new ATOM 370 N ASN A 26 -19.998 -7.605 -8.304 1.00 0.00 N ATOM 371 CA ASN A 26 -21.206 -8.438 -8.296 1.00 0.00 C ATOM 372 C ASN A 26 -22.179 -7.940 -7.223 1.00 0.00 C ATOM 373 O ASN A 26 -23.322 -7.597 -7.518 1.00 0.00 O ATOM 374 CB ASN A 26 -20.814 -9.902 -8.022 1.00 0.00 C ATOM 375 CG ASN A 26 -21.921 -10.847 -8.506 1.00 0.00 C ATOM 376 OD1 ASN A 26 -21.798 -11.463 -9.547 1.00 0.00 O ATOM 377 ND2 ASN A 26 -23.001 -10.986 -7.790 1.00 0.00 N ATOM 0 H ASN A 26 -19.379 -7.758 -7.508 1.00 0.00 H new ATOM 0 HA ASN A 26 -21.698 -8.374 -9.267 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -19.878 -10.136 -8.529 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -20.643 -10.047 -6.955 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -23.743 -11.612 -8.103 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -23.104 -10.469 -6.917 1.00 0.00 H new ATOM 384 N GLY A 27 -21.718 -7.926 -5.975 1.00 0.00 N ATOM 385 CA GLY A 27 -22.552 -7.488 -4.861 1.00 0.00 C ATOM 386 C GLY A 27 -22.632 -5.973 -4.738 1.00 0.00 C ATOM 387 O GLY A 27 -22.806 -5.263 -5.727 1.00 0.00 O ATOM 0 H GLY A 27 -20.775 -8.212 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.557 -7.890 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.157 -7.902 -3.933 1.00 0.00 H new ATOM 391 N GLY A 28 -22.523 -5.489 -3.498 1.00 0.00 N ATOM 392 CA GLY A 28 -22.595 -4.054 -3.201 1.00 0.00 C ATOM 393 C GLY A 28 -21.240 -3.487 -2.830 1.00 0.00 C ATOM 394 O GLY A 28 -20.404 -3.245 -3.697 1.00 0.00 O ATOM 0 H GLY A 28 -22.383 -6.076 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -22.986 -3.523 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.295 -3.887 -2.383 1.00 0.00 H new ATOM 398 N TYR A 29 -21.030 -3.244 -1.532 1.00 0.00 N ATOM 399 CA TYR A 29 -19.765 -2.686 -1.039 1.00 0.00 C ATOM 400 C TYR A 29 -19.011 -3.737 -0.224 1.00 0.00 C ATOM 401 O TYR A 29 -19.616 -4.497 0.532 1.00 0.00 O ATOM 402 CB TYR A 29 -20.052 -1.475 -0.148 1.00 0.00 C ATOM 403 CG TYR A 29 -20.819 -0.431 -0.935 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.202 0.214 -2.027 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.148 -0.098 -0.580 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.907 1.190 -2.763 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.853 0.878 -1.318 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.232 1.522 -2.410 1.00 0.00 C ATOM 409 OH TYR A 29 -22.864 2.576 -3.037 1.00 0.00 O ATOM 0 H TYR A 29 -21.720 -3.425 -0.803 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.157 -2.384 -1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.628 -1.782 0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.117 -1.052 0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.188 -0.039 -2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.623 -0.590 0.256 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.432 1.684 -3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.867 1.132 -1.047 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.772 2.672 -2.680 1.00 0.00 H new ATOM 419 N ASN A 30 -17.686 -3.771 -0.378 1.00 0.00 N ATOM 420 CA ASN A 30 -16.844 -4.731 0.352 1.00 0.00 C ATOM 421 C ASN A 30 -15.637 -4.021 0.954 1.00 0.00 C ATOM 422 O ASN A 30 -14.868 -3.375 0.242 1.00 0.00 O ATOM 423 CB ASN A 30 -16.366 -5.836 -0.602 1.00 0.00 C ATOM 424 CG ASN A 30 -15.346 -6.740 0.098 1.00 0.00 C ATOM 425 OD1 ASN A 30 -14.075 -6.453 0.015 1.00 0.00 O flip ATOM 426 ND2 ASN A 30 -15.710 -7.717 0.724 1.00 0.00 N flip ATOM 0 H ASN A 30 -17.170 -3.148 -0.999 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.433 -5.174 1.155 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.217 -6.429 -0.938 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.918 -5.390 -1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.703 -7.941 0.788 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.022 -8.313 1.185 1.00 0.00 H new ATOM 433 N THR A 31 -15.471 -4.156 2.272 1.00 0.00 N ATOM 434 CA THR A 31 -14.347 -3.535 2.978 1.00 0.00 C ATOM 435 C THR A 31 -13.332 -4.584 3.392 1.00 0.00 C ATOM 436 O THR A 31 -13.479 -5.242 4.421 1.00 0.00 O ATOM 437 CB THR A 31 -14.825 -2.782 4.234 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.892 -1.911 3.882 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.668 -1.963 4.811 1.00 0.00 C ATOM 0 H THR A 31 -16.100 -4.690 2.872 1.00 0.00 H new ATOM 0 HA THR A 31 -13.885 -2.826 2.291 1.00 0.00 H new ATOM 0 HB THR A 31 -15.168 -3.499 4.980 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.536 -1.018 3.692 1.00 0.00 H new ATOM 0 HG21 THR A 31 -14.007 -1.430 5.700 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.848 -2.630 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.324 -1.245 4.067 1.00 0.00 H new ATOM 447 N SER A 32 -12.292 -4.727 2.572 1.00 0.00 N ATOM 448 CA SER A 32 -11.221 -5.689 2.829 1.00 0.00 C ATOM 449 C SER A 32 -9.910 -4.950 3.042 1.00 0.00 C ATOM 450 O SER A 32 -9.866 -3.720 2.994 1.00 0.00 O ATOM 451 CB SER A 32 -11.082 -6.635 1.639 1.00 0.00 C ATOM 452 OG SER A 32 -10.945 -5.870 0.451 1.00 0.00 O ATOM 0 H SER A 32 -12.168 -4.184 1.717 1.00 0.00 H new ATOM 0 HA SER A 32 -11.464 -6.264 3.723 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.215 -7.282 1.772 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.955 -7.283 1.570 1.00 0.00 H new ATOM 0 HG SER A 32 -10.059 -5.451 0.432 1.00 0.00 H new ATOM 458 N SER A 33 -8.840 -5.703 3.271 1.00 0.00 N ATOM 459 CA SER A 33 -7.523 -5.109 3.487 1.00 0.00 C ATOM 460 C SER A 33 -6.441 -5.969 2.848 1.00 0.00 C ATOM 461 O SER A 33 -6.601 -7.182 2.710 1.00 0.00 O ATOM 462 CB SER A 33 -7.255 -4.972 4.987 1.00 0.00 C ATOM 463 OG SER A 33 -7.538 -6.207 5.630 1.00 0.00 O ATOM 0 H SER A 33 -8.857 -6.722 3.312 1.00 0.00 H new ATOM 0 HA SER A 33 -7.505 -4.122 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.216 -4.690 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.874 -4.180 5.408 1.00 0.00 H new ATOM 0 HG SER A 33 -7.365 -6.123 6.591 1.00 0.00 H new ATOM 469 N ILE A 34 -5.338 -5.331 2.450 1.00 0.00 N ATOM 470 CA ILE A 34 -4.222 -6.040 1.815 1.00 0.00 C ATOM 471 C ILE A 34 -2.899 -5.620 2.445 1.00 0.00 C ATOM 472 O ILE A 34 -2.636 -4.435 2.651 1.00 0.00 O ATOM 473 CB ILE A 34 -4.202 -5.770 0.286 1.00 0.00 C ATOM 474 CG1 ILE A 34 -3.059 -6.589 -0.413 1.00 0.00 C ATOM 475 CG2 ILE A 34 -4.090 -4.261 0.013 1.00 0.00 C ATOM 476 CD1 ILE A 34 -1.759 -5.780 -0.608 1.00 0.00 C ATOM 0 H ILE A 34 -5.193 -4.327 2.555 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.360 -7.110 1.974 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.143 -6.111 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.841 -7.476 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.412 -6.936 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.077 -4.086 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.944 -3.747 0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.169 -3.879 0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.011 -6.405 -1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.963 -4.907 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.383 -5.456 0.362 1.00 0.00 H new ATOM 488 N ASP A 35 -2.072 -6.614 2.759 1.00 0.00 N ATOM 489 CA ASP A 35 -0.773 -6.361 3.370 1.00 0.00 C ATOM 490 C ASP A 35 0.216 -5.885 2.315 1.00 0.00 C ATOM 491 O ASP A 35 0.570 -6.631 1.402 1.00 0.00 O ATOM 492 CB ASP A 35 -0.255 -7.645 4.031 1.00 0.00 C ATOM 493 CG ASP A 35 0.905 -7.316 4.975 1.00 0.00 C ATOM 494 OD1 ASP A 35 1.460 -6.239 4.846 1.00 0.00 O ATOM 495 OD2 ASP A 35 1.219 -8.149 5.810 1.00 0.00 O ATOM 0 H ASP A 35 -2.279 -7.600 2.600 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.880 -5.585 4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.059 -8.129 4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.075 -8.349 3.267 1.00 0.00 H new ATOM 500 N LEU A 36 0.666 -4.645 2.448 1.00 0.00 N ATOM 501 CA LEU A 36 1.622 -4.091 1.501 1.00 0.00 C ATOM 502 C LEU A 36 2.989 -4.711 1.734 1.00 0.00 C ATOM 503 O LEU A 36 3.926 -4.483 0.972 1.00 0.00 O ATOM 504 CB LEU A 36 1.728 -2.573 1.683 1.00 0.00 C ATOM 505 CG LEU A 36 0.340 -1.915 1.613 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.456 -0.465 2.096 1.00 0.00 C ATOM 507 CD2 LEU A 36 -0.184 -1.934 0.166 1.00 0.00 C ATOM 0 H LEU A 36 0.387 -4.009 3.195 1.00 0.00 H new ATOM 0 HA LEU A 36 1.280 -4.312 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.193 -2.349 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.373 -2.154 0.911 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.356 -2.467 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.523 0.013 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.819 -0.452 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.154 0.077 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.167 -1.465 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.504 -1.385 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.260 -2.965 -0.180 1.00 0.00 H new ATOM 519 N ASN A 37 3.090 -5.500 2.798 1.00 0.00 N ATOM 520 CA ASN A 37 4.347 -6.146 3.139 1.00 0.00 C ATOM 521 C ASN A 37 4.692 -7.254 2.163 1.00 0.00 C ATOM 522 O ASN A 37 5.857 -7.613 2.035 1.00 0.00 O ATOM 523 CB ASN A 37 4.299 -6.720 4.556 1.00 0.00 C ATOM 524 CG ASN A 37 5.634 -7.406 4.872 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.702 -6.680 5.050 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.705 -8.616 4.942 1.00 0.00 N flip ATOM 0 H ASN A 37 2.320 -5.705 3.435 1.00 0.00 H new ATOM 0 HA ASN A 37 5.121 -5.380 3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.106 -5.925 5.276 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.480 -7.434 4.644 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.870 -9.185 4.803 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.600 -9.064 5.140 1.00 0.00 H new ATOM 533 N SER A 38 3.699 -7.832 1.496 1.00 0.00 N ATOM 534 CA SER A 38 3.965 -8.925 0.569 1.00 0.00 C ATOM 535 C SER A 38 4.301 -8.409 -0.829 1.00 0.00 C ATOM 536 O SER A 38 4.517 -9.203 -1.745 1.00 0.00 O ATOM 537 CB SER A 38 2.721 -9.819 0.498 1.00 0.00 C ATOM 538 OG SER A 38 2.175 -9.960 1.803 1.00 0.00 O ATOM 0 H SER A 38 2.717 -7.567 1.578 1.00 0.00 H new ATOM 0 HA SER A 38 4.826 -9.487 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.982 -9.382 -0.174 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.983 -10.796 0.092 1.00 0.00 H new ATOM 0 HG SER A 38 1.378 -10.529 1.764 1.00 0.00 H new ATOM 544 N VAL A 39 4.328 -7.084 -1.009 1.00 0.00 N ATOM 545 CA VAL A 39 4.621 -6.507 -2.329 1.00 0.00 C ATOM 546 C VAL A 39 5.492 -5.251 -2.220 1.00 0.00 C ATOM 547 O VAL A 39 5.663 -4.526 -3.197 1.00 0.00 O ATOM 548 CB VAL A 39 3.305 -6.158 -3.067 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.651 -7.443 -3.592 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.344 -5.458 -2.097 1.00 0.00 C ATOM 0 H VAL A 39 4.154 -6.400 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 39 5.173 -7.257 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 39 3.526 -5.496 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.725 -7.194 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.331 -7.942 -4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.431 -8.107 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.418 -5.212 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.126 -6.121 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.805 -4.543 -1.725 1.00 0.00 H new ATOM 560 N ILE A 40 6.056 -5.007 -1.034 1.00 0.00 N ATOM 561 CA ILE A 40 6.933 -3.838 -0.822 1.00 0.00 C ATOM 562 C ILE A 40 8.183 -4.248 -0.036 1.00 0.00 C ATOM 563 O ILE A 40 8.092 -4.979 0.942 1.00 0.00 O ATOM 564 CB ILE A 40 6.202 -2.704 -0.056 1.00 0.00 C ATOM 565 CG1 ILE A 40 4.999 -2.171 -0.874 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.176 -1.558 0.253 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.430 -1.184 -1.973 1.00 0.00 C ATOM 0 H ILE A 40 5.927 -5.593 -0.209 1.00 0.00 H new ATOM 0 HA ILE A 40 7.217 -3.464 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 40 5.826 -3.115 0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.472 -3.010 -1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.296 -1.679 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.650 -0.769 0.791 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.995 -1.932 0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.575 -1.158 -0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.551 -0.839 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.933 -0.330 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.112 -1.682 -2.662 1.00 0.00 H new ATOM 579 N ALA A 41 9.352 -3.763 -0.486 1.00 0.00 N ATOM 580 CA ALA A 41 10.644 -4.071 0.160 1.00 0.00 C ATOM 581 C ALA A 41 11.383 -2.779 0.534 1.00 0.00 C ATOM 582 O ALA A 41 11.235 -1.762 -0.137 1.00 0.00 O ATOM 583 CB ALA A 41 11.505 -4.887 -0.804 1.00 0.00 C ATOM 0 H ALA A 41 9.431 -3.152 -1.299 1.00 0.00 H new ATOM 0 HA ALA A 41 10.456 -4.641 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.460 -5.117 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.991 -5.815 -1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.679 -4.311 -1.713 1.00 0.00 H new ATOM 589 N ALA A 42 12.184 -2.828 1.610 1.00 0.00 N ATOM 590 CA ALA A 42 12.954 -1.652 2.060 1.00 0.00 C ATOM 591 C ALA A 42 14.438 -1.832 1.761 1.00 0.00 C ATOM 592 O ALA A 42 15.097 -2.685 2.356 1.00 0.00 O ATOM 593 CB ALA A 42 12.792 -1.443 3.560 1.00 0.00 C ATOM 0 H ALA A 42 12.317 -3.662 2.183 1.00 0.00 H new ATOM 0 HA ALA A 42 12.569 -0.786 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.368 -0.571 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.739 -1.284 3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.153 -2.324 4.091 1.00 0.00 H new ATOM 599 N VAL A 43 14.961 -1.027 0.832 1.00 0.00 N ATOM 600 CA VAL A 43 16.379 -1.103 0.456 1.00 0.00 C ATOM 601 C VAL A 43 17.046 0.266 0.553 1.00 0.00 C ATOM 602 O VAL A 43 16.867 1.122 -0.314 1.00 0.00 O ATOM 603 CB VAL A 43 16.533 -1.615 -0.986 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.020 -1.746 -1.327 1.00 0.00 C ATOM 605 CG2 VAL A 43 15.859 -2.983 -1.108 1.00 0.00 C ATOM 0 H VAL A 43 14.429 -0.318 0.328 1.00 0.00 H new ATOM 0 HA VAL A 43 16.859 -1.794 1.149 1.00 0.00 H new ATOM 0 HB VAL A 43 16.065 -0.912 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.128 -2.109 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.502 -0.773 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.490 -2.450 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 43 15.965 -3.351 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.330 -3.684 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.801 -2.890 -0.864 1.00 0.00 H new ATOM 615 N ASP A 44 17.825 0.455 1.609 1.00 0.00 N ATOM 616 CA ASP A 44 18.538 1.708 1.817 1.00 0.00 C ATOM 617 C ASP A 44 17.560 2.876 2.004 1.00 0.00 C ATOM 618 O ASP A 44 17.851 4.006 1.614 1.00 0.00 O ATOM 619 CB ASP A 44 19.486 1.971 0.619 1.00 0.00 C ATOM 620 CG ASP A 44 20.845 2.502 1.105 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.914 3.665 1.465 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.790 1.729 1.112 1.00 0.00 O ATOM 0 H ASP A 44 17.980 -0.244 2.336 1.00 0.00 H new ATOM 0 HA ASP A 44 19.130 1.627 2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.631 1.050 0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.030 2.692 -0.060 1.00 0.00 H new ATOM 627 N GLY A 45 16.411 2.600 2.617 1.00 0.00 N ATOM 628 CA GLY A 45 15.419 3.638 2.861 1.00 0.00 C ATOM 629 C GLY A 45 14.587 3.955 1.632 1.00 0.00 C ATOM 630 O GLY A 45 14.230 5.109 1.401 1.00 0.00 O ATOM 0 H GLY A 45 16.147 1.673 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.760 3.322 3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.923 4.544 3.197 1.00 0.00 H new ATOM 634 N SER A 46 14.272 2.931 0.837 1.00 0.00 N ATOM 635 CA SER A 46 13.473 3.125 -0.379 1.00 0.00 C ATOM 636 C SER A 46 12.478 1.983 -0.565 1.00 0.00 C ATOM 637 O SER A 46 12.863 0.814 -0.603 1.00 0.00 O ATOM 638 CB SER A 46 14.395 3.188 -1.598 1.00 0.00 C ATOM 639 OG SER A 46 15.460 4.091 -1.337 1.00 0.00 O ATOM 0 H SER A 46 14.554 1.966 1.009 1.00 0.00 H new ATOM 0 HA SER A 46 12.922 4.060 -0.278 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.790 2.197 -1.821 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.835 3.512 -2.475 1.00 0.00 H new ATOM 0 HG SER A 46 16.053 4.132 -2.116 1.00 0.00 H new ATOM 645 N LEU A 47 11.193 2.326 -0.686 1.00 0.00 N ATOM 646 CA LEU A 47 10.150 1.317 -0.878 1.00 0.00 C ATOM 647 C LEU A 47 9.993 0.990 -2.359 1.00 0.00 C ATOM 648 O LEU A 47 9.704 1.868 -3.173 1.00 0.00 O ATOM 649 CB LEU A 47 8.809 1.825 -0.336 1.00 0.00 C ATOM 650 CG LEU A 47 8.945 2.264 1.129 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.665 3.000 1.547 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.151 1.046 2.041 1.00 0.00 C ATOM 0 H LEU A 47 10.852 3.287 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 47 10.445 0.419 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.461 2.662 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.058 1.039 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 47 9.809 2.921 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.750 3.317 2.586 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.524 3.874 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.810 2.332 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.245 1.378 3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.296 0.376 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.058 0.519 1.745 1.00 0.00 H new ATOM 664 N LYS A 48 10.182 -0.287 -2.700 1.00 0.00 N ATOM 665 CA LYS A 48 10.060 -0.753 -4.087 1.00 0.00 C ATOM 666 C LYS A 48 9.011 -1.853 -4.174 1.00 0.00 C ATOM 667 O LYS A 48 8.835 -2.621 -3.235 1.00 0.00 O ATOM 668 CB LYS A 48 11.411 -1.295 -4.574 1.00 0.00 C ATOM 669 CG LYS A 48 12.452 -0.151 -4.657 1.00 0.00 C ATOM 670 CD LYS A 48 12.371 0.569 -6.027 1.00 0.00 C ATOM 671 CE LYS A 48 13.220 -0.171 -7.076 1.00 0.00 C ATOM 672 NZ LYS A 48 14.649 0.215 -6.913 1.00 0.00 N ATOM 0 H LYS A 48 10.421 -1.021 -2.033 1.00 0.00 H new ATOM 0 HA LYS A 48 9.757 0.084 -4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.766 -2.070 -3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.292 -1.759 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.277 0.565 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.454 -0.554 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.334 0.617 -6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.721 1.596 -5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.107 -1.249 -6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.876 0.078 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.221 -0.257 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.744 1.246 -7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.981 -0.074 -5.971 1.00 0.00 H new ATOM 686 N TRP A 49 8.312 -1.915 -5.302 1.00 0.00 N ATOM 687 CA TRP A 49 7.267 -2.919 -5.493 1.00 0.00 C ATOM 688 C TRP A 49 7.853 -4.319 -5.630 1.00 0.00 C ATOM 689 O TRP A 49 9.050 -4.528 -5.433 1.00 0.00 O ATOM 690 CB TRP A 49 6.442 -2.571 -6.744 1.00 0.00 C ATOM 691 CG TRP A 49 5.550 -1.424 -6.424 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.672 -0.171 -6.916 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.407 -1.411 -5.532 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.682 0.621 -6.365 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.873 -0.100 -5.510 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.784 -2.408 -4.739 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.763 0.220 -4.727 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.654 -2.093 -3.951 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.146 -0.777 -3.943 1.00 0.00 C ATOM 0 H TRP A 49 8.447 -1.287 -6.094 1.00 0.00 H new ATOM 0 HA TRP A 49 6.625 -2.913 -4.612 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.102 -2.316 -7.573 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.852 -3.432 -7.059 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.420 0.157 -7.623 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.564 1.614 -6.565 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.176 -3.414 -4.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.377 1.229 -4.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.180 -2.859 -3.355 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.286 -0.533 -3.337 1.00 0.00 H new ATOM 710 N GLN A 50 6.980 -5.275 -5.972 1.00 0.00 N ATOM 711 CA GLN A 50 7.368 -6.678 -6.146 1.00 0.00 C ATOM 712 C GLN A 50 8.464 -7.082 -5.165 1.00 0.00 C ATOM 713 O GLN A 50 9.474 -7.669 -5.551 1.00 0.00 O ATOM 714 CB GLN A 50 7.832 -6.937 -7.587 1.00 0.00 C ATOM 715 CG GLN A 50 8.904 -5.920 -7.994 1.00 0.00 C ATOM 716 CD GLN A 50 9.487 -6.287 -9.361 1.00 0.00 C ATOM 717 OE1 GLN A 50 9.402 -7.515 -9.797 1.00 0.00 O flip ATOM 718 NE2 GLN A 50 10.024 -5.439 -10.046 1.00 0.00 N flip ATOM 0 H GLN A 50 5.989 -5.097 -6.135 1.00 0.00 H new ATOM 0 HA GLN A 50 6.488 -7.287 -5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.230 -7.948 -7.671 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.982 -6.871 -8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.472 -4.920 -8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.697 -5.897 -7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.092 -4.479 -9.709 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.407 -5.687 -10.958 1.00 0.00 H new ATOM 727 N GLY A 51 8.251 -6.762 -3.889 1.00 0.00 N ATOM 728 CA GLY A 51 9.215 -7.088 -2.847 1.00 0.00 C ATOM 729 C GLY A 51 8.534 -7.375 -1.523 1.00 0.00 C ATOM 730 O GLY A 51 7.308 -7.452 -1.450 1.00 0.00 O ATOM 0 H GLY A 51 7.418 -6.277 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.800 -7.956 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.913 -6.260 -2.725 1.00 0.00 H new ATOM 734 N SER A 52 9.334 -7.550 -0.471 1.00 0.00 N ATOM 735 CA SER A 52 8.789 -7.845 0.853 1.00 0.00 C ATOM 736 C SER A 52 9.795 -7.486 1.952 1.00 0.00 C ATOM 737 O SER A 52 10.918 -7.071 1.667 1.00 0.00 O ATOM 738 CB SER A 52 8.421 -9.334 0.932 1.00 0.00 C ATOM 739 OG SER A 52 9.416 -10.093 0.259 1.00 0.00 O ATOM 0 H SER A 52 10.352 -7.493 -0.509 1.00 0.00 H new ATOM 0 HA SER A 52 7.895 -7.241 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.347 -9.649 1.973 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.445 -9.505 0.477 1.00 0.00 H new ATOM 0 HG SER A 52 9.189 -11.045 0.307 1.00 0.00 H new ATOM 745 N ASN A 53 9.367 -7.651 3.206 1.00 0.00 N ATOM 746 CA ASN A 53 10.209 -7.354 4.370 1.00 0.00 C ATOM 747 C ASN A 53 10.626 -5.879 4.403 1.00 0.00 C ATOM 748 O ASN A 53 11.809 -5.565 4.531 1.00 0.00 O ATOM 749 CB ASN A 53 11.460 -8.267 4.380 1.00 0.00 C ATOM 750 CG ASN A 53 11.104 -9.644 4.951 1.00 0.00 C ATOM 751 OD1 ASN A 53 11.213 -10.645 4.270 1.00 0.00 O ATOM 752 ND2 ASN A 53 10.687 -9.735 6.184 1.00 0.00 N ATOM 0 H ASN A 53 8.435 -7.991 3.443 1.00 0.00 H new ATOM 0 HA ASN A 53 9.618 -7.553 5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.849 -8.374 3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.248 -7.810 4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.452 -10.646 6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.596 -8.895 6.755 1.00 0.00 H new ATOM 759 N PHE A 54 9.644 -4.972 4.314 1.00 0.00 N ATOM 760 CA PHE A 54 9.924 -3.526 4.363 1.00 0.00 C ATOM 761 C PHE A 54 9.477 -2.950 5.702 1.00 0.00 C ATOM 762 O PHE A 54 10.138 -2.085 6.261 1.00 0.00 O ATOM 763 CB PHE A 54 9.209 -2.790 3.197 1.00 0.00 C ATOM 764 CG PHE A 54 7.840 -2.284 3.606 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.712 -1.045 4.263 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.702 -3.048 3.318 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.436 -0.570 4.635 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.420 -2.578 3.681 1.00 0.00 C ATOM 769 CZ PHE A 54 5.287 -1.338 4.344 1.00 0.00 C ATOM 0 H PHE A 54 8.657 -5.208 4.209 1.00 0.00 H new ATOM 0 HA PHE A 54 10.999 -3.378 4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.822 -1.952 2.866 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.108 -3.466 2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.591 -0.458 4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.805 -3.999 2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.338 0.379 5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.543 -3.166 3.452 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.309 -0.978 4.628 1.00 0.00 H new ATOM 779 N ILE A 55 8.375 -3.484 6.219 1.00 0.00 N ATOM 780 CA ILE A 55 7.857 -3.040 7.507 1.00 0.00 C ATOM 781 C ILE A 55 8.852 -3.407 8.582 1.00 0.00 C ATOM 782 O ILE A 55 9.040 -2.685 9.562 1.00 0.00 O ATOM 783 CB ILE A 55 6.503 -3.706 7.830 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.957 -3.182 9.177 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.685 -5.226 7.917 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.781 -1.648 9.138 1.00 0.00 C ATOM 0 H ILE A 55 7.828 -4.218 5.770 1.00 0.00 H new ATOM 0 HA ILE A 55 7.706 -1.961 7.466 1.00 0.00 H new ATOM 0 HB ILE A 55 5.795 -3.463 7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.001 -3.657 9.396 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.640 -3.454 9.982 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.728 -5.695 8.145 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.056 -5.603 6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.401 -5.462 8.704 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.396 -1.301 10.097 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.744 -1.176 8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.079 -1.382 8.347 1.00 0.00 H new ATOM 798 N GLU A 56 9.492 -4.539 8.366 1.00 0.00 N ATOM 799 CA GLU A 56 10.492 -5.037 9.281 1.00 0.00 C ATOM 800 C GLU A 56 11.559 -3.964 9.495 1.00 0.00 C ATOM 801 O GLU A 56 12.336 -4.025 10.447 1.00 0.00 O ATOM 802 CB GLU A 56 11.087 -6.326 8.675 1.00 0.00 C ATOM 803 CG GLU A 56 12.451 -6.682 9.303 1.00 0.00 C ATOM 804 CD GLU A 56 13.585 -5.970 8.559 1.00 0.00 C ATOM 805 OE1 GLU A 56 13.971 -6.453 7.506 1.00 0.00 O ATOM 806 OE2 GLU A 56 14.053 -4.965 9.061 1.00 0.00 O ATOM 0 H GLU A 56 9.332 -5.135 7.554 1.00 0.00 H new ATOM 0 HA GLU A 56 10.062 -5.270 10.255 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.392 -7.152 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.205 -6.200 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.460 -6.394 10.354 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.605 -7.760 9.266 1.00 0.00 H new ATOM 813 N ALA A 57 11.575 -2.965 8.606 1.00 0.00 N ATOM 814 CA ALA A 57 12.539 -1.866 8.697 1.00 0.00 C ATOM 815 C ALA A 57 11.851 -0.520 8.484 1.00 0.00 C ATOM 816 O ALA A 57 12.507 0.451 8.115 1.00 0.00 O ATOM 817 CB ALA A 57 13.621 -2.042 7.643 1.00 0.00 C ATOM 0 H ALA A 57 10.932 -2.896 7.817 1.00 0.00 H new ATOM 0 HA ALA A 57 12.981 -1.883 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.336 -1.222 7.715 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.137 -2.988 7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.167 -2.042 6.652 1.00 0.00 H new ATOM 823 N CYS A 58 10.529 -0.459 8.713 1.00 0.00 N ATOM 824 CA CYS A 58 9.777 0.798 8.538 1.00 0.00 C ATOM 825 C CYS A 58 8.842 1.048 9.719 1.00 0.00 C ATOM 826 O CYS A 58 8.586 0.159 10.531 1.00 0.00 O ATOM 827 CB CYS A 58 8.960 0.771 7.215 1.00 0.00 C ATOM 828 SG CYS A 58 9.494 2.092 6.087 1.00 0.00 S ATOM 0 H CYS A 58 9.964 -1.252 9.016 1.00 0.00 H new ATOM 0 HA CYS A 58 10.501 1.612 8.490 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.081 -0.197 6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.899 0.885 7.437 1.00 0.00 H new ATOM 833 N ARG A 59 8.331 2.273 9.783 1.00 0.00 N ATOM 834 CA ARG A 59 7.412 2.670 10.840 1.00 0.00 C ATOM 835 C ARG A 59 6.697 3.959 10.450 1.00 0.00 C ATOM 836 O ARG A 59 7.006 4.561 9.421 1.00 0.00 O ATOM 837 CB ARG A 59 8.173 2.874 12.159 1.00 0.00 C ATOM 838 CG ARG A 59 9.202 4.047 12.042 1.00 0.00 C ATOM 839 CD ARG A 59 10.626 3.551 12.323 1.00 0.00 C ATOM 840 NE ARG A 59 11.573 4.706 12.283 1.00 0.00 N ATOM 841 CZ ARG A 59 11.715 5.484 13.326 1.00 0.00 C ATOM 842 NH1 ARG A 59 11.092 5.209 14.440 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.480 6.539 13.254 1.00 0.00 N ATOM 0 H ARG A 59 8.540 3.011 9.110 1.00 0.00 H new ATOM 0 HA ARG A 59 6.675 1.879 10.978 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.466 3.086 12.961 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.694 1.955 12.427 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.154 4.481 11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.941 4.837 12.746 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.668 3.066 13.298 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.915 2.804 11.583 1.00 0.00 H new ATOM 0 HE ARG A 59 12.113 4.889 11.437 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.493 4.386 14.499 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.205 5.817 15.251 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.967 6.757 12.385 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.591 7.145 14.067 1.00 0.00 H new ATOM 857 N ASN A 60 5.743 4.379 11.271 1.00 0.00 N ATOM 858 CA ASN A 60 4.998 5.601 10.988 1.00 0.00 C ATOM 859 C ASN A 60 4.428 5.558 9.579 1.00 0.00 C ATOM 860 O ASN A 60 4.725 6.425 8.758 1.00 0.00 O ATOM 861 CB ASN A 60 5.916 6.818 11.112 1.00 0.00 C ATOM 862 CG ASN A 60 6.434 6.933 12.543 1.00 0.00 C ATOM 863 OD1 ASN A 60 7.720 6.909 12.759 1.00 0.00 O flip ATOM 864 ND2 ASN A 60 5.662 7.049 13.474 1.00 0.00 N flip ATOM 0 H ASN A 60 5.468 3.899 12.128 1.00 0.00 H new ATOM 0 HA ASN A 60 4.184 5.679 11.709 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.753 6.726 10.419 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.374 7.723 10.838 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.657 7.068 13.303 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.019 7.128 14.426 1.00 0.00 H new ATOM 871 N THR A 61 3.603 4.553 9.295 1.00 0.00 N ATOM 872 CA THR A 61 2.994 4.418 7.974 1.00 0.00 C ATOM 873 C THR A 61 1.575 4.977 8.001 1.00 0.00 C ATOM 874 O THR A 61 0.836 4.758 8.961 1.00 0.00 O ATOM 875 CB THR A 61 2.946 2.934 7.561 1.00 0.00 C ATOM 876 OG1 THR A 61 1.900 2.287 8.259 1.00 0.00 O ATOM 877 CG2 THR A 61 4.281 2.250 7.890 1.00 0.00 C ATOM 0 H THR A 61 3.342 3.823 9.958 1.00 0.00 H new ATOM 0 HA THR A 61 3.594 4.973 7.253 1.00 0.00 H new ATOM 0 HB THR A 61 2.769 2.868 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.610 1.498 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.236 1.202 7.594 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.087 2.745 7.348 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.470 2.316 8.962 1.00 0.00 H new ATOM 885 N GLN A 62 1.196 5.711 6.953 1.00 0.00 N ATOM 886 CA GLN A 62 -0.142 6.306 6.896 1.00 0.00 C ATOM 887 C GLN A 62 -0.568 6.594 5.456 1.00 0.00 C ATOM 888 O GLN A 62 0.235 6.508 4.526 1.00 0.00 O ATOM 889 CB GLN A 62 -0.154 7.611 7.708 1.00 0.00 C ATOM 890 CG GLN A 62 0.887 8.628 7.141 1.00 0.00 C ATOM 891 CD GLN A 62 0.177 9.805 6.454 1.00 0.00 C ATOM 892 OE1 GLN A 62 0.238 9.949 5.249 1.00 0.00 O ATOM 893 NE2 GLN A 62 -0.495 10.656 7.180 1.00 0.00 N ATOM 0 H GLN A 62 1.785 5.906 6.144 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.850 5.593 7.319 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.151 8.052 7.682 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.072 7.397 8.752 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.518 8.999 7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.542 8.126 6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.546 10.535 8.191 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.969 11.442 6.736 1.00 0.00 H new ATOM 902 N LEU A 63 -1.845 6.940 5.293 1.00 0.00 N ATOM 903 CA LEU A 63 -2.408 7.252 3.977 1.00 0.00 C ATOM 904 C LEU A 63 -2.124 8.706 3.612 1.00 0.00 C ATOM 905 O LEU A 63 -2.479 9.617 4.359 1.00 0.00 O ATOM 906 CB LEU A 63 -3.927 7.031 4.010 1.00 0.00 C ATOM 907 CG LEU A 63 -4.525 7.107 2.577 1.00 0.00 C ATOM 908 CD1 LEU A 63 -4.437 5.741 1.879 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.996 7.538 2.650 1.00 0.00 C ATOM 0 H LEU A 63 -2.513 7.012 6.060 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.950 6.600 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.149 6.059 4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.395 7.783 4.645 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.951 7.836 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.861 5.816 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.393 5.435 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.994 5.002 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.410 7.590 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.559 6.813 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.065 8.518 3.122 1.00 0.00 H new ATOM 921 N ALA A 64 -1.487 8.920 2.458 1.00 0.00 N ATOM 922 CA ALA A 64 -1.157 10.274 1.994 1.00 0.00 C ATOM 923 C ALA A 64 -1.835 10.574 0.657 1.00 0.00 C ATOM 924 O ALA A 64 -1.738 9.793 -0.287 1.00 0.00 O ATOM 925 CB ALA A 64 0.353 10.400 1.844 1.00 0.00 C ATOM 0 H ALA A 64 -1.189 8.176 1.827 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.519 10.993 2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.602 11.404 1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.831 10.218 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.709 9.669 1.118 1.00 0.00 H new ATOM 931 N GLY A 65 -2.517 11.717 0.584 1.00 0.00 N ATOM 932 CA GLY A 65 -3.194 12.123 -0.639 1.00 0.00 C ATOM 933 C GLY A 65 -4.480 11.356 -0.896 1.00 0.00 C ATOM 934 O GLY A 65 -5.540 11.958 -1.048 1.00 0.00 O ATOM 0 H GLY A 65 -2.613 12.374 1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.419 13.188 -0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.520 11.982 -1.484 1.00 0.00 H new ATOM 938 N SER A 66 -4.372 10.029 -0.914 1.00 0.00 N ATOM 939 CA SER A 66 -5.530 9.149 -1.133 1.00 0.00 C ATOM 940 C SER A 66 -5.072 7.740 -1.488 1.00 0.00 C ATOM 941 O SER A 66 -5.670 6.760 -1.047 1.00 0.00 O ATOM 942 CB SER A 66 -6.430 9.675 -2.269 1.00 0.00 C ATOM 943 OG SER A 66 -5.620 10.109 -3.352 1.00 0.00 O ATOM 0 H SER A 66 -3.491 9.532 -0.779 1.00 0.00 H new ATOM 0 HA SER A 66 -6.100 9.132 -0.204 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.110 8.891 -2.601 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.045 10.499 -1.908 1.00 0.00 H new ATOM 0 HG SER A 66 -6.192 10.442 -4.075 1.00 0.00 H new ATOM 949 N SER A 67 -4.030 7.643 -2.316 1.00 0.00 N ATOM 950 CA SER A 67 -3.518 6.340 -2.753 1.00 0.00 C ATOM 951 C SER A 67 -2.000 6.280 -2.656 1.00 0.00 C ATOM 952 O SER A 67 -1.375 5.455 -3.311 1.00 0.00 O ATOM 953 CB SER A 67 -3.946 6.082 -4.205 1.00 0.00 C ATOM 954 OG SER A 67 -2.916 6.504 -5.092 1.00 0.00 O ATOM 0 H SER A 67 -3.526 8.444 -2.696 1.00 0.00 H new ATOM 0 HA SER A 67 -3.933 5.575 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.152 5.022 -4.350 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.869 6.619 -4.423 1.00 0.00 H new ATOM 0 HG SER A 67 -2.157 5.887 -5.029 1.00 0.00 H new ATOM 960 N GLU A 68 -1.406 7.145 -1.831 1.00 0.00 N ATOM 961 CA GLU A 68 0.053 7.154 -1.654 1.00 0.00 C ATOM 962 C GLU A 68 0.408 6.696 -0.250 1.00 0.00 C ATOM 963 O GLU A 68 -0.112 7.216 0.737 1.00 0.00 O ATOM 964 CB GLU A 68 0.628 8.556 -1.886 1.00 0.00 C ATOM 965 CG GLU A 68 0.056 9.147 -3.176 1.00 0.00 C ATOM 966 CD GLU A 68 0.860 10.391 -3.563 1.00 0.00 C ATOM 967 OE1 GLU A 68 1.018 11.257 -2.717 1.00 0.00 O ATOM 968 OE2 GLU A 68 1.310 10.452 -4.695 1.00 0.00 O ATOM 0 H GLU A 68 -1.904 7.843 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 68 0.484 6.472 -2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.387 9.202 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.715 8.507 -1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.098 8.409 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.993 9.407 -3.036 1.00 0.00 H new ATOM 975 N LEU A 69 1.296 5.713 -0.169 1.00 0.00 N ATOM 976 CA LEU A 69 1.731 5.177 1.118 1.00 0.00 C ATOM 977 C LEU A 69 2.972 5.928 1.569 1.00 0.00 C ATOM 978 O LEU A 69 4.020 5.862 0.933 1.00 0.00 O ATOM 979 CB LEU A 69 1.988 3.659 0.959 1.00 0.00 C ATOM 980 CG LEU A 69 2.746 2.984 2.156 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.265 2.943 1.920 1.00 0.00 C ATOM 982 CD2 LEU A 69 2.462 3.666 3.510 1.00 0.00 C ATOM 0 H LEU A 69 1.730 5.270 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 69 0.967 5.310 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.030 3.156 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.563 3.497 0.047 1.00 0.00 H new ATOM 0 HG LEU A 69 2.360 1.966 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.753 2.468 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.477 2.373 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.643 3.959 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.014 3.154 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.776 4.709 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.394 3.618 3.725 1.00 0.00 H new ATOM 994 N ALA A 70 2.832 6.658 2.674 1.00 0.00 N ATOM 995 CA ALA A 70 3.934 7.436 3.240 1.00 0.00 C ATOM 996 C ALA A 70 4.455 6.717 4.469 1.00 0.00 C ATOM 997 O ALA A 70 3.674 6.236 5.285 1.00 0.00 O ATOM 998 CB ALA A 70 3.447 8.826 3.619 1.00 0.00 C ATOM 0 H ALA A 70 1.960 6.727 3.199 1.00 0.00 H new ATOM 0 HA ALA A 70 4.732 7.537 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.273 9.399 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.068 9.333 2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.650 8.743 4.358 1.00 0.00 H new ATOM 1004 N ALA A 71 5.770 6.634 4.599 1.00 0.00 N ATOM 1005 CA ALA A 71 6.362 5.952 5.740 1.00 0.00 C ATOM 1006 C ALA A 71 7.834 6.298 5.862 1.00 0.00 C ATOM 1007 O ALA A 71 8.381 7.042 5.048 1.00 0.00 O ATOM 1008 CB ALA A 71 6.202 4.448 5.574 1.00 0.00 C ATOM 0 H ALA A 71 6.441 7.025 3.938 1.00 0.00 H new ATOM 0 HA ALA A 71 5.851 6.277 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.646 3.938 6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.142 4.199 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.703 4.127 4.661 1.00 0.00 H new ATOM 1014 N GLU A 72 8.472 5.741 6.886 1.00 0.00 N ATOM 1015 CA GLU A 72 9.894 5.971 7.134 1.00 0.00 C ATOM 1016 C GLU A 72 10.613 4.627 7.193 1.00 0.00 C ATOM 1017 O GLU A 72 10.271 3.796 8.021 1.00 0.00 O ATOM 1018 CB GLU A 72 10.066 6.721 8.473 1.00 0.00 C ATOM 1019 CG GLU A 72 9.920 8.241 8.281 1.00 0.00 C ATOM 1020 CD GLU A 72 10.411 8.966 9.539 1.00 0.00 C ATOM 1021 OE1 GLU A 72 11.615 9.089 9.695 1.00 0.00 O ATOM 1022 OE2 GLU A 72 9.576 9.383 10.324 1.00 0.00 O ATOM 0 H GLU A 72 8.025 5.123 7.563 1.00 0.00 H new ATOM 0 HA GLU A 72 10.319 6.574 6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.323 6.369 9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.046 6.497 8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.495 8.565 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.878 8.495 8.086 1.00 0.00 H new ATOM 1029 N CYS A 73 11.632 4.435 6.336 1.00 0.00 N ATOM 1030 CA CYS A 73 12.413 3.182 6.315 1.00 0.00 C ATOM 1031 C CYS A 73 13.882 3.471 6.637 1.00 0.00 C ATOM 1032 O CYS A 73 14.417 4.520 6.281 1.00 0.00 O ATOM 1033 CB CYS A 73 12.282 2.486 4.940 1.00 0.00 C ATOM 1034 SG CYS A 73 10.951 1.252 4.973 1.00 0.00 S ATOM 0 H CYS A 73 11.934 5.128 5.651 1.00 0.00 H new ATOM 0 HA CYS A 73 12.017 2.509 7.076 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.078 3.228 4.168 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.225 2.005 4.678 1.00 0.00 H new ATOM 1039 N LYS A 74 14.507 2.530 7.339 1.00 0.00 N ATOM 1040 CA LYS A 74 15.903 2.666 7.758 1.00 0.00 C ATOM 1041 C LYS A 74 16.880 2.400 6.606 1.00 0.00 C ATOM 1042 O LYS A 74 16.773 1.402 5.897 1.00 0.00 O ATOM 1043 CB LYS A 74 16.169 1.688 8.936 1.00 0.00 C ATOM 1044 CG LYS A 74 16.831 2.412 10.115 1.00 0.00 C ATOM 1045 CD LYS A 74 16.963 1.441 11.294 1.00 0.00 C ATOM 1046 CE LYS A 74 17.531 2.162 12.528 1.00 0.00 C ATOM 1047 NZ LYS A 74 17.095 1.441 13.757 1.00 0.00 N ATOM 0 H LYS A 74 14.067 1.658 7.633 1.00 0.00 H new ATOM 0 HA LYS A 74 16.070 3.694 8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.230 1.241 9.261 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.810 0.873 8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.813 2.784 9.823 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.236 3.277 10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.988 1.015 11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.615 0.612 11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.619 2.194 12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.182 3.194 12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.476 1.923 14.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.056 1.432 13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.448 0.463 13.730 1.00 0.00 H new ATOM 1061 N THR A 75 17.826 3.322 6.435 1.00 0.00 N ATOM 1062 CA THR A 75 18.826 3.207 5.377 1.00 0.00 C ATOM 1063 C THR A 75 19.914 2.206 5.760 1.00 0.00 C ATOM 1064 O THR A 75 19.915 1.663 6.865 1.00 0.00 O ATOM 1065 CB THR A 75 19.502 4.557 5.084 1.00 0.00 C ATOM 1066 OG1 THR A 75 20.121 5.038 6.267 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.456 5.562 4.593 1.00 0.00 C ATOM 0 H THR A 75 17.920 4.156 7.015 1.00 0.00 H new ATOM 0 HA THR A 75 18.296 2.866 4.487 1.00 0.00 H new ATOM 0 HB THR A 75 20.258 4.428 4.309 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.047 5.292 6.071 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.938 6.517 4.386 1.00 0.00 H new ATOM 0 HG22 THR A 75 17.990 5.186 3.682 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.694 5.699 5.361 1.00 0.00 H new ATOM 1075 N ALA A 76 20.840 1.971 4.835 1.00 0.00 N ATOM 1076 CA ALA A 76 21.933 1.036 5.077 1.00 0.00 C ATOM 1077 C ALA A 76 22.814 1.525 6.222 1.00 0.00 C ATOM 1078 O ALA A 76 23.483 0.734 6.886 1.00 0.00 O ATOM 1079 CB ALA A 76 22.766 0.882 3.814 1.00 0.00 C ATOM 0 H ALA A 76 20.855 2.413 3.916 1.00 0.00 H new ATOM 0 HA ALA A 76 21.511 0.070 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.581 0.183 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 76 22.138 0.502 3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.176 1.851 3.528 1.00 0.00 H new ATOM 1085 N ALA A 77 22.809 2.837 6.445 1.00 0.00 N ATOM 1086 CA ALA A 77 23.611 3.433 7.512 1.00 0.00 C ATOM 1087 C ALA A 77 22.881 3.342 8.846 1.00 0.00 C ATOM 1088 O ALA A 77 23.491 3.483 9.906 1.00 0.00 O ATOM 1089 CB ALA A 77 23.897 4.889 7.185 1.00 0.00 C ATOM 0 H ALA A 77 22.261 3.506 5.904 1.00 0.00 H new ATOM 0 HA ALA A 77 24.550 2.884 7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.495 5.330 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.445 4.950 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 77 22.957 5.433 7.093 1.00 0.00 H new ATOM 1095 N GLY A 78 21.571 3.097 8.793 1.00 0.00 N ATOM 1096 CA GLY A 78 20.765 2.984 10.003 1.00 0.00 C ATOM 1097 C GLY A 78 20.010 4.266 10.315 1.00 0.00 C ATOM 1098 O GLY A 78 19.803 4.597 11.483 1.00 0.00 O ATOM 0 H GLY A 78 21.049 2.974 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.055 2.165 9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.410 2.731 10.844 1.00 0.00 H new ATOM 1102 N GLN A 79 19.590 4.993 9.267 1.00 0.00 N ATOM 1103 CA GLN A 79 18.844 6.254 9.441 1.00 0.00 C ATOM 1104 C GLN A 79 17.486 6.172 8.735 1.00 0.00 C ATOM 1105 O GLN A 79 17.385 5.692 7.611 1.00 0.00 O ATOM 1106 CB GLN A 79 19.699 7.448 8.913 1.00 0.00 C ATOM 1107 CG GLN A 79 19.250 7.915 7.513 1.00 0.00 C ATOM 1108 CD GLN A 79 20.301 8.850 6.914 1.00 0.00 C ATOM 1109 OE1 GLN A 79 20.244 10.049 7.102 1.00 0.00 O ATOM 1110 NE2 GLN A 79 21.265 8.346 6.192 1.00 0.00 N ATOM 0 H GLN A 79 19.752 4.733 8.294 1.00 0.00 H new ATOM 0 HA GLN A 79 18.650 6.419 10.501 1.00 0.00 H new ATOM 0 HB2 GLN A 79 19.627 8.281 9.612 1.00 0.00 H new ATOM 0 HB3 GLN A 79 20.748 7.153 8.876 1.00 0.00 H new ATOM 0 HG2 GLN A 79 19.104 7.053 6.862 1.00 0.00 H new ATOM 0 HG3 GLN A 79 18.291 8.428 7.582 1.00 0.00 H new ATOM 0 HE21 GLN A 79 21.312 7.339 6.035 1.00 0.00 H new ATOM 0 HE22 GLN A 79 21.971 8.959 5.785 1.00 0.00 H new ATOM 1119 N PHE A 80 16.444 6.637 9.412 1.00 0.00 N ATOM 1120 CA PHE A 80 15.096 6.610 8.855 1.00 0.00 C ATOM 1121 C PHE A 80 14.843 7.844 7.980 1.00 0.00 C ATOM 1122 O PHE A 80 14.857 8.972 8.468 1.00 0.00 O ATOM 1123 CB PHE A 80 14.089 6.565 10.016 1.00 0.00 C ATOM 1124 CG PHE A 80 13.996 5.154 10.576 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.323 4.149 9.847 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.577 4.845 11.827 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.234 2.839 10.366 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.482 3.535 12.347 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.814 2.532 11.615 1.00 0.00 C ATOM 0 H PHE A 80 16.506 7.038 10.348 1.00 0.00 H new ATOM 0 HA PHE A 80 14.980 5.728 8.225 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.397 7.256 10.801 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.109 6.892 9.670 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.876 4.383 8.892 1.00 0.00 H new ATOM 0 HD2 PHE A 80 15.094 5.611 12.386 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.721 2.071 9.806 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.921 3.302 13.306 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.746 1.529 12.010 1.00 0.00 H new ATOM 1139 N VAL A 81 14.596 7.612 6.685 1.00 0.00 N ATOM 1140 CA VAL A 81 14.319 8.702 5.734 1.00 0.00 C ATOM 1141 C VAL A 81 12.836 8.696 5.380 1.00 0.00 C ATOM 1142 O VAL A 81 12.108 7.822 5.824 1.00 0.00 O ATOM 1143 CB VAL A 81 15.141 8.529 4.442 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.613 8.823 4.733 1.00 0.00 C ATOM 1145 CG2 VAL A 81 15.000 7.091 3.937 1.00 0.00 C ATOM 0 H VAL A 81 14.582 6.681 6.269 1.00 0.00 H new ATOM 0 HA VAL A 81 14.596 9.646 6.203 1.00 0.00 H new ATOM 0 HB VAL A 81 14.774 9.219 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.196 8.701 3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.715 9.846 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.979 8.132 5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.581 6.968 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.367 6.401 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.951 6.879 3.731 1.00 0.00 H new ATOM 1155 N SER A 82 12.388 9.662 4.575 1.00 0.00 N ATOM 1156 CA SER A 82 10.974 9.731 4.180 1.00 0.00 C ATOM 1157 C SER A 82 10.754 9.025 2.846 1.00 0.00 C ATOM 1158 O SER A 82 11.177 9.518 1.801 1.00 0.00 O ATOM 1159 CB SER A 82 10.540 11.200 4.061 1.00 0.00 C ATOM 1160 OG SER A 82 10.256 11.710 5.356 1.00 0.00 O ATOM 0 H SER A 82 12.974 10.401 4.186 1.00 0.00 H new ATOM 0 HA SER A 82 10.376 9.233 4.943 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.328 11.788 3.591 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.659 11.281 3.424 1.00 0.00 H new ATOM 0 HG SER A 82 9.980 12.648 5.285 1.00 0.00 H new ATOM 1166 N THR A 83 10.099 7.863 2.885 1.00 0.00 N ATOM 1167 CA THR A 83 9.832 7.091 1.668 1.00 0.00 C ATOM 1168 C THR A 83 8.353 7.127 1.307 1.00 0.00 C ATOM 1169 O THR A 83 7.483 7.115 2.179 1.00 0.00 O ATOM 1170 CB THR A 83 10.244 5.622 1.850 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.287 4.967 2.671 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.627 5.538 2.510 1.00 0.00 C ATOM 0 H THR A 83 9.745 7.437 3.741 1.00 0.00 H new ATOM 0 HA THR A 83 10.417 7.547 0.869 1.00 0.00 H new ATOM 0 HB THR A 83 10.288 5.139 0.874 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.016 5.565 3.399 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.908 4.492 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.362 6.039 1.880 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.595 6.023 3.486 1.00 0.00 H new ATOM 1180 N LYS A 84 8.083 7.182 0.005 1.00 0.00 N ATOM 1181 CA LYS A 84 6.714 7.233 -0.507 1.00 0.00 C ATOM 1182 C LYS A 84 6.571 6.341 -1.734 1.00 0.00 C ATOM 1183 O LYS A 84 7.560 5.985 -2.375 1.00 0.00 O ATOM 1184 CB LYS A 84 6.359 8.680 -0.882 1.00 0.00 C ATOM 1185 CG LYS A 84 7.447 9.288 -1.830 1.00 0.00 C ATOM 1186 CD LYS A 84 6.877 9.546 -3.240 1.00 0.00 C ATOM 1187 CE LYS A 84 6.038 10.828 -3.241 1.00 0.00 C ATOM 1188 NZ LYS A 84 5.536 11.091 -4.619 1.00 0.00 N ATOM 0 H LYS A 84 8.800 7.192 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 84 6.036 6.876 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.386 8.706 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.277 9.285 0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.819 10.222 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.296 8.608 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.691 9.634 -3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.264 8.701 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.201 10.728 -2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.639 11.669 -2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.966 11.961 -4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.342 11.204 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.949 10.292 -4.933 1.00 0.00 H new ATOM 1202 N ILE A 85 5.335 5.987 -2.056 1.00 0.00 N ATOM 1203 CA ILE A 85 5.071 5.140 -3.210 1.00 0.00 C ATOM 1204 C ILE A 85 3.575 5.148 -3.521 1.00 0.00 C ATOM 1205 O ILE A 85 2.743 5.100 -2.615 1.00 0.00 O ATOM 1206 CB ILE A 85 5.572 3.701 -2.949 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.573 2.893 -4.257 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.684 3.016 -1.913 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.299 1.543 -4.056 1.00 0.00 C ATOM 0 H ILE A 85 4.504 6.271 -1.538 1.00 0.00 H new ATOM 0 HA ILE A 85 5.610 5.531 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 85 6.591 3.750 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.548 2.717 -4.584 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.065 3.464 -5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.046 2.003 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.712 3.579 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.659 2.976 -2.282 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.291 0.983 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.329 1.726 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.789 0.967 -3.284 1.00 0.00 H new ATOM 1221 N ASN A 86 3.241 5.213 -4.806 1.00 0.00 N ATOM 1222 CA ASN A 86 1.843 5.238 -5.230 1.00 0.00 C ATOM 1223 C ASN A 86 1.254 3.836 -5.191 1.00 0.00 C ATOM 1224 O ASN A 86 1.667 2.970 -5.955 1.00 0.00 O ATOM 1225 CB ASN A 86 1.756 5.799 -6.652 1.00 0.00 C ATOM 1226 CG ASN A 86 0.294 5.880 -7.089 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.589 6.396 -6.279 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 -0.047 5.472 -8.182 1.00 0.00 N flip ATOM 0 H ASN A 86 3.916 5.249 -5.570 1.00 0.00 H new ATOM 0 HA ASN A 86 1.274 5.873 -4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.212 6.788 -6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 86 2.315 5.163 -7.338 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.644 5.069 -8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.025 5.533 -8.467 1.00 0.00 H new ATOM 1235 N LEU A 87 0.260 3.633 -4.328 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.403 2.340 -4.217 1.00 0.00 C ATOM 1237 C LEU A 87 -1.160 2.024 -5.505 1.00 0.00 C ATOM 1238 O LEU A 87 -1.298 0.865 -5.890 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.373 2.362 -3.030 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.620 2.483 -1.693 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.660 2.650 -0.574 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.247 1.228 -1.433 1.00 0.00 C ATOM 0 H LEU A 87 -0.102 4.348 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 87 0.347 1.566 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.064 3.198 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.972 1.452 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 87 0.048 3.344 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.151 2.738 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.249 3.549 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.319 1.782 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.769 1.337 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.392 0.346 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.975 1.116 -2.236 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.637 3.068 -6.172 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.373 2.899 -7.422 1.00 0.00 C ATOM 1256 C ASP A 88 -1.463 2.326 -8.508 1.00 0.00 C ATOM 1257 O ASP A 88 -1.936 1.897 -9.561 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.949 4.263 -7.870 1.00 0.00 C ATOM 1259 CG ASP A 88 -4.349 4.476 -7.281 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -4.675 3.804 -6.318 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -5.071 5.301 -7.814 1.00 0.00 O ATOM 0 H ASP A 88 -1.529 4.037 -5.871 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.192 2.198 -7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.287 5.067 -7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.996 4.305 -8.958 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.163 2.329 -8.253 1.00 0.00 N ATOM 1267 CA ASP A 89 0.790 1.817 -9.227 1.00 0.00 C ATOM 1268 C ASP A 89 0.523 0.343 -9.539 1.00 0.00 C ATOM 1269 O ASP A 89 0.694 -0.093 -10.678 1.00 0.00 O ATOM 1270 CB ASP A 89 2.219 1.995 -8.699 1.00 0.00 C ATOM 1271 CG ASP A 89 3.222 1.877 -9.851 1.00 0.00 C ATOM 1272 OD1 ASP A 89 2.843 1.367 -10.893 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.350 2.306 -9.672 1.00 0.00 O ATOM 0 H ASP A 89 0.253 2.676 -7.389 1.00 0.00 H new ATOM 0 HA ASP A 89 0.673 2.383 -10.151 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.319 2.968 -8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.432 1.241 -7.942 1.00 0.00 H new ATOM 1278 N HIS A 90 0.102 -0.426 -8.527 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.183 -1.857 -8.719 1.00 0.00 C ATOM 1280 C HIS A 90 -1.466 -2.275 -7.999 1.00 0.00 C ATOM 1281 O HIS A 90 -2.238 -3.077 -8.522 1.00 0.00 O ATOM 1282 CB HIS A 90 0.972 -2.708 -8.191 1.00 0.00 C ATOM 1283 CG HIS A 90 2.213 -2.465 -9.006 1.00 0.00 C ATOM 1284 ND1 HIS A 90 2.533 -3.238 -10.111 1.00 0.00 N ATOM 1285 CD2 HIS A 90 3.231 -1.552 -8.878 1.00 0.00 C ATOM 1286 CE1 HIS A 90 3.699 -2.783 -10.601 1.00 0.00 C ATOM 1287 NE2 HIS A 90 4.168 -1.757 -9.887 1.00 0.00 N ATOM 0 H HIS A 90 -0.048 -0.088 -7.576 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.308 -2.018 -9.790 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.162 -2.467 -7.145 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.703 -3.764 -8.231 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.295 -0.792 -8.113 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.196 -3.197 -11.466 1.00 0.00 H new ATOM 0 HE2 HIS A 90 5.029 -1.235 -10.047 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.689 -1.749 -6.796 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.891 -2.108 -6.042 1.00 0.00 C ATOM 1297 C ILE A 91 -4.135 -1.824 -6.873 1.00 0.00 C ATOM 1298 O ILE A 91 -4.380 -0.687 -7.274 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.999 -1.316 -4.719 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.692 -1.456 -3.904 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.214 -1.813 -3.900 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.314 -2.929 -3.704 1.00 0.00 C ATOM 0 H ILE A 91 -1.069 -1.087 -6.329 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.817 -3.171 -5.811 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.147 -0.261 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.883 -0.938 -4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.813 -0.975 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.281 -1.249 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.126 -1.669 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.092 -2.872 -3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.391 -2.993 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.113 -3.440 -3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.169 -3.402 -4.675 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.919 -2.871 -7.132 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.151 -2.753 -7.922 1.00 0.00 C ATOM 1316 C ALA A 92 -7.337 -3.239 -7.098 1.00 0.00 C ATOM 1317 O ALA A 92 -7.167 -3.776 -6.004 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.028 -3.591 -9.192 1.00 0.00 C ATOM 0 H ALA A 92 -4.723 -3.817 -6.805 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.307 -1.709 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.944 -3.502 -9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.184 -3.235 -9.783 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.868 -4.636 -8.925 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.536 -3.064 -7.643 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.764 -3.502 -6.976 1.00 0.00 C ATOM 1326 C ASN A 93 -10.359 -4.675 -7.739 1.00 0.00 C ATOM 1327 O ASN A 93 -10.707 -4.548 -8.913 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.766 -2.356 -6.936 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.995 -2.780 -6.131 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.873 -3.412 -5.101 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.184 -2.454 -6.560 1.00 0.00 N ATOM 0 H ASN A 93 -8.687 -2.620 -8.549 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.533 -3.809 -5.956 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.309 -1.475 -6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.059 -2.080 -7.949 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -14.011 -2.730 -6.030 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.286 -1.923 -7.425 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.458 -5.822 -7.072 1.00 0.00 N ATOM 1339 CA ILE A 94 -10.996 -7.037 -7.687 1.00 0.00 C ATOM 1340 C ILE A 94 -12.315 -7.433 -7.029 1.00 0.00 C ATOM 1341 O ILE A 94 -12.331 -8.032 -5.954 1.00 0.00 O ATOM 1342 CB ILE A 94 -9.997 -8.201 -7.516 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.593 -7.757 -7.992 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.479 -9.450 -8.294 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.639 -7.210 -9.427 1.00 0.00 C ATOM 0 H ILE A 94 -10.171 -5.938 -6.100 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.162 -6.835 -8.745 1.00 0.00 H new ATOM 0 HB ILE A 94 -9.938 -8.470 -6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.204 -6.991 -7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.906 -8.602 -7.944 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.762 -10.260 -8.162 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.452 -9.761 -7.915 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.562 -9.209 -9.354 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.638 -6.906 -9.733 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.005 -7.985 -10.100 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.307 -6.350 -9.467 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.417 -7.101 -7.690 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.742 -7.431 -7.176 1.00 0.00 C ATOM 1359 C ASP A 95 -14.979 -6.757 -5.820 1.00 0.00 C ATOM 1360 O ASP A 95 -15.768 -7.238 -5.007 1.00 0.00 O ATOM 1361 CB ASP A 95 -14.887 -8.974 -7.065 1.00 0.00 C ATOM 1362 CG ASP A 95 -16.224 -9.440 -7.664 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -17.222 -9.367 -6.967 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -16.221 -9.857 -8.810 1.00 0.00 O ATOM 0 H ASP A 95 -13.421 -6.605 -8.581 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.497 -7.057 -7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.061 -9.460 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.827 -9.275 -6.019 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.300 -5.634 -5.595 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.445 -4.883 -4.354 1.00 0.00 C ATOM 1371 C GLY A 96 -13.370 -5.211 -3.337 1.00 0.00 C ATOM 1372 O GLY A 96 -13.363 -4.665 -2.234 1.00 0.00 O ATOM 0 H GLY A 96 -13.643 -5.225 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.415 -3.816 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.423 -5.092 -3.921 1.00 0.00 H new ATOM 1376 N THR A 97 -12.463 -6.113 -3.701 1.00 0.00 N ATOM 1377 CA THR A 97 -11.377 -6.518 -2.803 1.00 0.00 C ATOM 1378 C THR A 97 -10.060 -5.904 -3.257 1.00 0.00 C ATOM 1379 O THR A 97 -9.878 -5.615 -4.434 1.00 0.00 O ATOM 1380 CB THR A 97 -11.223 -8.049 -2.791 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.876 -8.497 -4.093 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.541 -8.694 -2.362 1.00 0.00 C ATOM 0 H THR A 97 -12.455 -6.579 -4.609 1.00 0.00 H new ATOM 0 HA THR A 97 -11.626 -6.168 -1.801 1.00 0.00 H new ATOM 0 HB THR A 97 -10.439 -8.330 -2.088 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.672 -8.490 -4.664 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.430 -9.778 -2.354 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.806 -8.349 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.328 -8.415 -3.063 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.140 -5.704 -2.317 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.836 -5.122 -2.641 1.00 0.00 C ATOM 1392 C LEU A 98 -6.814 -6.220 -2.916 1.00 0.00 C ATOM 1393 O LEU A 98 -6.601 -7.104 -2.087 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.339 -4.260 -1.478 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.402 -3.218 -1.091 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.938 -2.457 0.162 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.619 -2.223 -2.251 1.00 0.00 C ATOM 0 H LEU A 98 -9.269 -5.933 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.952 -4.505 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.111 -4.892 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.413 -3.758 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.343 -3.728 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.690 -1.718 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.801 -3.159 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.994 -1.954 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.374 -1.490 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.682 -1.712 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.955 -2.764 -3.136 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.171 -6.144 -4.080 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.150 -7.122 -4.459 1.00 0.00 C ATOM 1411 C LYS A 99 -4.096 -6.454 -5.340 1.00 0.00 C ATOM 1412 O LYS A 99 -4.330 -5.399 -5.927 1.00 0.00 O ATOM 1413 CB LYS A 99 -5.788 -8.332 -5.195 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.364 -9.387 -4.182 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.918 -9.334 -4.113 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.534 -10.319 -5.119 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.070 -11.701 -4.808 1.00 0.00 N ATOM 0 H LYS A 99 -6.338 -5.417 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.672 -7.495 -3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.586 -7.981 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.041 -8.807 -5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.047 -10.387 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.950 -9.203 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.252 -9.578 -3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.263 -8.323 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.622 -10.270 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.246 -10.047 -6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.794 -12.386 -5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.183 -11.892 -5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.909 -11.791 -3.784 1.00 0.00 H new ATOM 1431 N TYR A 100 -2.922 -7.077 -5.393 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.794 -6.559 -6.166 1.00 0.00 C ATOM 1433 C TYR A 100 -1.803 -7.106 -7.593 1.00 0.00 C ATOM 1434 O TYR A 100 -1.988 -8.304 -7.809 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.505 -6.962 -5.445 1.00 0.00 C ATOM 1436 CG TYR A 100 0.717 -6.571 -6.245 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.314 -5.307 -6.052 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.283 -7.483 -7.162 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.467 -4.951 -6.781 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.448 -7.131 -7.879 1.00 0.00 C ATOM 1441 CZ TYR A 100 3.031 -5.859 -7.697 1.00 0.00 C ATOM 1442 OH TYR A 100 4.222 -5.550 -8.321 1.00 0.00 O ATOM 0 H TYR A 100 -2.725 -7.951 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.866 -5.474 -6.239 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.469 -6.485 -4.466 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.502 -8.039 -5.275 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.887 -4.611 -5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.826 -8.449 -7.315 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.918 -3.980 -6.637 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.892 -7.835 -8.566 1.00 0.00 H new ATOM 0 HH TYR A 100 4.476 -6.281 -8.922 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.593 -6.213 -8.564 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.564 -6.592 -9.983 1.00 0.00 C ATOM 1454 C GLU A 101 -0.115 -6.738 -10.448 1.00 0.00 C ATOM 1455 O GLU A 101 0.074 -7.055 -11.611 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.278 -5.509 -10.827 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.809 -5.757 -10.873 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.179 -6.623 -12.086 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -3.447 -7.554 -12.374 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -5.189 -6.331 -12.706 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.755 -6.285 -9.724 1.00 0.00 O ATOM 0 H GLU A 101 -1.440 -5.219 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.079 -7.544 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.078 -4.524 -10.405 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.876 -5.509 -11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.131 -6.250 -9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.336 -4.804 -10.925 1.00 0.00 H new TER 1468 GLU A 101