USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=32 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 67 SER OG : rot 69:sc= 0.156 USER MOD Set 1.2: A 86 ASN :FLIP amide:sc= -0.822 F(o=-6.1!,f=-0.67) USER MOD Set 2.1: A 21 THR OG1 : rot -73:sc= 0.364 USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= 0.286 USER MOD Set 3.1: A 30 ASN : amide:sc= 1.04 X(o=2,f=1.8) USER MOD Set 3.2: A 32 SER OG : rot 177:sc= 0.988 USER MOD Set 4.1: A 7 THR OG1 : rot 2:sc= 0.842 USER MOD Set 4.2: A 93 ASN : amide:sc= -2.01 K(o=-1.2,f=-3.5!) USER MOD Set 5.1: A 5 SER OG : rot -23:sc= 0.0541 USER MOD Set 5.2: A 66 SER OG : rot -95:sc= 0.0942 USER MOD Single : A 1 LEU N :NH3+ -137:sc= -2.06! (180deg=-4.99!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.801 F(o=-2.3,f=-0.8) USER MOD Single : A 9 TYR OH : rot -11:sc= 0.00329 USER MOD Single : A 10 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.1!) USER MOD Single : A 11 SER OG : rot -92:sc= -1.2 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.48! C(o=-3.4!,f=-1.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -5:sc= -0.0631 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0422 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,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= -1.01 F(o=-2.1!,f=-1) USER MOD Single : A 38 SER OG : rot -45:sc= 0.0402 USER MOD Single : A 46 SER OG : rot 90:sc= 0.0831 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0723 F(o=-1.1,f=-0.072) USER MOD Single : A 61 THR OG1 : rot -84:sc= -4.62! USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 74 LYS NZ :NH3+ -126:sc= -0.138 (180deg=-2.63!) USER MOD Single : A 75 THR OG1 : rot -111:sc= -0.0492 USER MOD Single : A 79 GLN : amide:sc= -0.0818 K(o=-0.082,f=-0.65) USER MOD Single : A 82 SER OG : rot 33:sc= 0.794 USER MOD Single : A 83 THR OG1 : rot -150:sc= -1.19 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HE2:sc= -1.83! C(o=-1.8!,f=-4.8!) USER MOD Single : A 97 THR OG1 : rot -88:sc= 1.18 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0.3 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -3.773 -1.343 -14.990 1.00 0.00 N ATOM 2 CA LEU A 1 -3.392 -2.088 -13.796 1.00 0.00 C ATOM 3 C LEU A 1 -3.405 -1.175 -12.574 1.00 0.00 C ATOM 4 O LEU A 1 -3.067 0.005 -12.660 1.00 0.00 O ATOM 5 CB LEU A 1 -1.976 -2.679 -13.958 1.00 0.00 C ATOM 6 CG LEU A 1 -1.989 -3.908 -14.887 1.00 0.00 C ATOM 7 CD1 LEU A 1 -2.179 -3.473 -16.346 1.00 0.00 C ATOM 8 CD2 LEU A 1 -0.654 -4.652 -14.752 1.00 0.00 C ATOM 0 H1 LEU A 1 -4.429 -1.914 -15.561 1.00 0.00 H new ATOM 0 H2 LEU A 1 -4.238 -0.455 -14.712 1.00 0.00 H new ATOM 0 H3 LEU A 1 -2.924 -1.128 -15.551 1.00 0.00 H new ATOM 0 HA LEU A 1 -4.112 -2.895 -13.660 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -1.306 -1.920 -14.363 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -1.583 -2.962 -12.981 1.00 0.00 H new ATOM 0 HG LEU A 1 -2.815 -4.560 -14.603 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -2.186 -4.352 -16.990 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -3.125 -2.942 -16.447 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -1.361 -2.815 -16.639 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.655 -5.524 -15.407 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.163 -3.988 -15.034 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -0.520 -4.974 -13.719 1.00 0.00 H new ATOM 22 N GLY A 2 -3.771 -1.742 -11.433 1.00 0.00 N ATOM 23 CA GLY A 2 -3.793 -0.997 -10.192 1.00 0.00 C ATOM 24 C GLY A 2 -4.955 -0.025 -10.080 1.00 0.00 C ATOM 25 O GLY A 2 -6.122 -0.402 -10.178 1.00 0.00 O ATOM 0 H GLY A 2 -4.056 -2.717 -11.346 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.837 -1.698 -9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.859 -0.444 -10.094 1.00 0.00 H new ATOM 29 N LYS A 3 -4.603 1.237 -9.898 1.00 0.00 N ATOM 30 CA LYS A 3 -5.581 2.316 -9.789 1.00 0.00 C ATOM 31 C LYS A 3 -6.816 1.921 -8.975 1.00 0.00 C ATOM 32 O LYS A 3 -7.931 2.322 -9.308 1.00 0.00 O ATOM 33 CB LYS A 3 -6.011 2.763 -11.191 1.00 0.00 C ATOM 34 CG LYS A 3 -4.782 3.188 -12.033 1.00 0.00 C ATOM 35 CD LYS A 3 -4.371 4.651 -11.724 1.00 0.00 C ATOM 36 CE LYS A 3 -5.190 5.632 -12.570 1.00 0.00 C ATOM 37 NZ LYS A 3 -4.819 7.027 -12.202 1.00 0.00 N ATOM 0 H LYS A 3 -3.634 1.546 -9.821 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.096 3.135 -9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.537 1.950 -11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.710 3.596 -11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.946 2.521 -11.824 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.012 3.088 -13.094 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.523 4.861 -10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.309 4.787 -11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.002 5.461 -13.630 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.255 5.471 -12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -5.373 7.696 -12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.019 7.185 -11.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.805 7.175 -12.381 1.00 0.00 H new ATOM 51 N PHE A 4 -6.622 1.162 -7.898 1.00 0.00 N ATOM 52 CA PHE A 4 -7.754 0.770 -7.056 1.00 0.00 C ATOM 53 C PHE A 4 -8.474 2.017 -6.544 1.00 0.00 C ATOM 54 O PHE A 4 -9.693 2.022 -6.379 1.00 0.00 O ATOM 55 CB PHE A 4 -7.285 -0.093 -5.864 1.00 0.00 C ATOM 56 CG PHE A 4 -6.554 0.751 -4.840 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.319 1.329 -5.177 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.096 0.948 -3.547 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.624 2.106 -4.239 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.392 1.720 -2.598 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.156 2.308 -2.947 1.00 0.00 C ATOM 0 H PHE A 4 -5.714 0.812 -7.591 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.440 0.175 -7.659 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.145 -0.574 -5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.630 -0.888 -6.221 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.903 1.175 -6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.047 0.508 -3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.677 2.552 -4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.798 1.861 -1.607 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.620 2.910 -2.228 1.00 0.00 H new ATOM 71 N SER A 5 -7.697 3.067 -6.296 1.00 0.00 N ATOM 72 CA SER A 5 -8.236 4.330 -5.794 1.00 0.00 C ATOM 73 C SER A 5 -9.398 4.832 -6.650 1.00 0.00 C ATOM 74 O SER A 5 -10.300 5.501 -6.148 1.00 0.00 O ATOM 75 CB SER A 5 -7.126 5.379 -5.768 1.00 0.00 C ATOM 76 OG SER A 5 -7.515 6.455 -4.925 1.00 0.00 O ATOM 0 H SER A 5 -6.687 3.069 -6.435 1.00 0.00 H new ATOM 0 HA SER A 5 -8.616 4.158 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.199 4.935 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.932 5.744 -6.776 1.00 0.00 H new ATOM 0 HG SER A 5 -8.492 6.474 -4.849 1.00 0.00 H new ATOM 82 N GLN A 6 -9.367 4.521 -7.941 1.00 0.00 N ATOM 83 CA GLN A 6 -10.426 4.968 -8.842 1.00 0.00 C ATOM 84 C GLN A 6 -11.775 4.384 -8.432 1.00 0.00 C ATOM 85 O GLN A 6 -12.814 5.009 -8.641 1.00 0.00 O ATOM 86 CB GLN A 6 -10.102 4.556 -10.289 1.00 0.00 C ATOM 87 CG GLN A 6 -9.032 5.483 -10.880 1.00 0.00 C ATOM 88 CD GLN A 6 -8.863 5.174 -12.369 1.00 0.00 C ATOM 89 OE1 GLN A 6 -8.452 3.992 -12.738 1.00 0.00 O flip ATOM 90 NE2 GLN A 6 -9.109 6.020 -13.205 1.00 0.00 N flip ATOM 0 H GLN A 6 -8.632 3.969 -8.384 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.485 6.055 -8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.751 3.524 -10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.006 4.598 -10.897 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.321 6.525 -10.743 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.085 5.344 -10.358 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.430 6.944 -12.916 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.994 5.806 -14.196 1.00 0.00 H new ATOM 99 N THR A 7 -11.757 3.181 -7.856 1.00 0.00 N ATOM 100 CA THR A 7 -12.991 2.511 -7.426 1.00 0.00 C ATOM 101 C THR A 7 -12.907 2.125 -5.952 1.00 0.00 C ATOM 102 O THR A 7 -13.614 1.228 -5.491 1.00 0.00 O ATOM 103 CB THR A 7 -13.245 1.248 -8.273 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.221 0.432 -7.642 1.00 0.00 O ATOM 105 CG2 THR A 7 -11.945 0.464 -8.430 1.00 0.00 C ATOM 0 H THR A 7 -10.905 2.650 -7.676 1.00 0.00 H new ATOM 0 HA THR A 7 -13.817 3.208 -7.566 1.00 0.00 H new ATOM 0 HB THR A 7 -13.609 1.545 -9.257 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.531 0.868 -6.821 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.128 -0.428 -9.029 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.201 1.088 -8.926 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.576 0.171 -7.447 1.00 0.00 H new ATOM 113 N CYS A 8 -12.052 2.831 -5.206 1.00 0.00 N ATOM 114 CA CYS A 8 -11.889 2.586 -3.768 1.00 0.00 C ATOM 115 C CYS A 8 -11.953 3.905 -3.007 1.00 0.00 C ATOM 116 O CYS A 8 -11.494 4.938 -3.493 1.00 0.00 O ATOM 117 CB CYS A 8 -10.561 1.874 -3.485 1.00 0.00 C ATOM 118 SG CYS A 8 -10.703 0.135 -3.962 1.00 0.00 S ATOM 0 H CYS A 8 -11.461 3.577 -5.573 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.700 1.940 -3.432 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.754 2.351 -4.041 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.310 1.954 -2.427 1.00 0.00 H new ATOM 123 N TYR A 9 -12.542 3.863 -1.811 1.00 0.00 N ATOM 124 CA TYR A 9 -12.685 5.059 -0.978 1.00 0.00 C ATOM 125 C TYR A 9 -12.541 4.704 0.500 1.00 0.00 C ATOM 126 O TYR A 9 -12.605 3.534 0.874 1.00 0.00 O ATOM 127 CB TYR A 9 -14.053 5.701 -1.228 1.00 0.00 C ATOM 128 CG TYR A 9 -15.155 4.746 -0.822 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.643 3.792 -1.742 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.699 4.811 0.478 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.675 2.905 -1.359 1.00 0.00 C ATOM 132 CE2 TYR A 9 -16.728 3.924 0.862 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.217 2.972 -0.056 1.00 0.00 C ATOM 134 OH TYR A 9 -18.272 2.154 0.296 1.00 0.00 O ATOM 0 H TYR A 9 -12.928 3.014 -1.397 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.898 5.766 -1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.137 6.629 -0.662 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.155 5.960 -2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.228 3.740 -2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.327 5.541 1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.049 2.176 -2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.141 3.975 1.859 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.639 1.730 -0.507 1.00 0.00 H new ATOM 144 N ASN A 10 -12.315 5.726 1.325 1.00 0.00 N ATOM 145 CA ASN A 10 -12.131 5.528 2.762 1.00 0.00 C ATOM 146 C ASN A 10 -10.926 4.633 3.010 1.00 0.00 C ATOM 147 O ASN A 10 -10.966 3.731 3.847 1.00 0.00 O ATOM 148 CB ASN A 10 -13.385 4.916 3.398 1.00 0.00 C ATOM 149 CG ASN A 10 -13.178 4.769 4.906 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.200 5.244 5.447 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.070 4.131 5.614 1.00 0.00 N ATOM 0 H ASN A 10 -12.255 6.698 1.023 1.00 0.00 H new ATOM 0 HA ASN A 10 -11.958 6.500 3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.251 5.548 3.200 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.592 3.943 2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.946 4.032 6.621 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.891 3.732 5.160 1.00 0.00 H new ATOM 158 N SER A 11 -9.851 4.895 2.267 1.00 0.00 N ATOM 159 CA SER A 11 -8.625 4.117 2.399 1.00 0.00 C ATOM 160 C SER A 11 -7.841 4.566 3.626 1.00 0.00 C ATOM 161 O SER A 11 -7.903 5.727 4.030 1.00 0.00 O ATOM 162 CB SER A 11 -7.769 4.267 1.128 1.00 0.00 C ATOM 163 OG SER A 11 -7.892 5.594 0.639 1.00 0.00 O ATOM 0 H SER A 11 -9.807 5.638 1.570 1.00 0.00 H new ATOM 0 HA SER A 11 -8.886 3.066 2.525 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.725 4.043 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.094 3.555 0.369 1.00 0.00 H new ATOM 0 HG SER A 11 -8.620 5.635 -0.015 1.00 0.00 H new ATOM 169 N ALA A 12 -7.103 3.630 4.211 1.00 0.00 N ATOM 170 CA ALA A 12 -6.301 3.916 5.392 1.00 0.00 C ATOM 171 C ALA A 12 -5.199 2.878 5.533 1.00 0.00 C ATOM 172 O ALA A 12 -5.347 1.735 5.107 1.00 0.00 O ATOM 173 CB ALA A 12 -7.181 3.912 6.631 1.00 0.00 C ATOM 0 H ALA A 12 -7.044 2.665 3.885 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.848 4.902 5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.573 4.127 7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.955 4.673 6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.647 2.933 6.743 1.00 0.00 H new ATOM 179 N ILE A 13 -4.093 3.288 6.141 1.00 0.00 N ATOM 180 CA ILE A 13 -2.951 2.394 6.348 1.00 0.00 C ATOM 181 C ILE A 13 -2.408 2.566 7.765 1.00 0.00 C ATOM 182 O ILE A 13 -2.337 3.681 8.282 1.00 0.00 O ATOM 183 CB ILE A 13 -1.839 2.678 5.295 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.282 2.141 3.896 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.526 1.998 5.721 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.753 3.025 2.728 1.00 0.00 C ATOM 0 H ILE A 13 -3.958 4.233 6.501 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.281 1.363 6.222 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.679 3.754 5.231 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.919 1.121 3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.370 2.100 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.246 2.201 4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.212 2.388 6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.682 0.922 5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.088 2.610 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.137 4.039 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.663 3.045 2.752 1.00 0.00 H new ATOM 198 N GLN A 14 -2.038 1.449 8.398 1.00 0.00 N ATOM 199 CA GLN A 14 -1.518 1.490 9.768 1.00 0.00 C ATOM 200 C GLN A 14 -0.536 0.342 10.018 1.00 0.00 C ATOM 201 O GLN A 14 -0.930 -0.778 10.338 1.00 0.00 O ATOM 202 CB GLN A 14 -2.694 1.414 10.769 1.00 0.00 C ATOM 203 CG GLN A 14 -2.358 2.167 12.068 1.00 0.00 C ATOM 204 CD GLN A 14 -0.988 1.727 12.594 1.00 0.00 C ATOM 205 OE1 GLN A 14 0.090 2.285 12.116 1.00 0.00 O flip ATOM 206 NE2 GLN A 14 -0.899 0.870 13.450 1.00 0.00 N flip ATOM 0 H GLN A 14 -2.088 0.516 7.990 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.980 2.428 9.909 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.589 1.841 10.317 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.917 0.371 10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.358 3.241 11.885 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.124 1.972 12.819 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.742 0.433 13.824 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.018 0.587 13.795 1.00 0.00 H new ATOM 215 N GLY A 15 0.747 0.649 9.862 1.00 0.00 N ATOM 216 CA GLY A 15 1.809 -0.331 10.065 1.00 0.00 C ATOM 217 C GLY A 15 2.264 -0.956 8.763 1.00 0.00 C ATOM 218 O GLY A 15 3.359 -0.685 8.297 1.00 0.00 O ATOM 0 H GLY A 15 1.079 1.575 9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.657 0.150 10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.457 -1.113 10.738 1.00 0.00 H new ATOM 222 N SER A 16 1.422 -1.797 8.172 1.00 0.00 N ATOM 223 CA SER A 16 1.772 -2.452 6.911 1.00 0.00 C ATOM 224 C SER A 16 0.531 -3.040 6.264 1.00 0.00 C ATOM 225 O SER A 16 0.610 -3.865 5.354 1.00 0.00 O ATOM 226 CB SER A 16 2.795 -3.547 7.164 1.00 0.00 C ATOM 227 OG SER A 16 2.268 -4.485 8.094 1.00 0.00 O ATOM 0 H SER A 16 0.502 -2.041 8.538 1.00 0.00 H new ATOM 0 HA SER A 16 2.202 -1.712 6.236 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.046 -4.048 6.229 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.718 -3.115 7.551 1.00 0.00 H new ATOM 0 HG SER A 16 2.928 -5.192 8.255 1.00 0.00 H new ATOM 233 N VAL A 17 -0.612 -2.600 6.766 1.00 0.00 N ATOM 234 CA VAL A 17 -1.909 -3.059 6.271 1.00 0.00 C ATOM 235 C VAL A 17 -2.667 -1.926 5.606 1.00 0.00 C ATOM 236 O VAL A 17 -2.894 -0.886 6.207 1.00 0.00 O ATOM 237 CB VAL A 17 -2.764 -3.638 7.416 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.076 -2.549 8.455 1.00 0.00 C ATOM 239 CG2 VAL A 17 -4.069 -4.202 6.839 1.00 0.00 C ATOM 0 H VAL A 17 -0.672 -1.919 7.523 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.718 -3.842 5.537 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.208 -4.436 7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.680 -2.973 9.257 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.144 -2.163 8.868 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.625 -1.737 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.676 -4.612 7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.620 -3.405 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.839 -4.990 6.121 1.00 0.00 H new ATOM 249 N LEU A 18 -3.104 -2.164 4.370 1.00 0.00 N ATOM 250 CA LEU A 18 -3.901 -1.188 3.630 1.00 0.00 C ATOM 251 C LEU A 18 -5.343 -1.615 3.804 1.00 0.00 C ATOM 252 O LEU A 18 -5.655 -2.776 3.586 1.00 0.00 O ATOM 253 CB LEU A 18 -3.501 -1.201 2.132 1.00 0.00 C ATOM 254 CG LEU A 18 -3.823 0.142 1.434 1.00 0.00 C ATOM 255 CD1 LEU A 18 -3.692 -0.034 -0.085 1.00 0.00 C ATOM 256 CD2 LEU A 18 -5.251 0.610 1.768 1.00 0.00 C ATOM 0 H LEU A 18 -2.918 -3.027 3.859 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.743 -0.173 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.435 -1.409 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.027 -2.009 1.623 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.120 0.894 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.918 0.910 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.674 -0.338 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.391 -0.799 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.451 1.556 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.968 -0.139 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.347 0.745 2.845 1.00 0.00 H new ATOM 268 N THR A 19 -6.227 -0.700 4.174 1.00 0.00 N ATOM 269 CA THR A 19 -7.638 -1.024 4.353 1.00 0.00 C ATOM 270 C THR A 19 -8.446 0.027 3.624 1.00 0.00 C ATOM 271 O THR A 19 -8.202 1.220 3.796 1.00 0.00 O ATOM 272 CB THR A 19 -8.023 -1.000 5.846 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.242 -1.954 6.552 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.506 -1.335 6.001 1.00 0.00 C ATOM 0 H THR A 19 -5.993 0.276 4.357 1.00 0.00 H new ATOM 0 HA THR A 19 -7.835 -2.023 3.963 1.00 0.00 H new ATOM 0 HB THR A 19 -7.835 -0.006 6.252 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.485 -1.938 7.501 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.775 -1.317 7.057 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.103 -0.600 5.462 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.699 -2.328 5.594 1.00 0.00 H new ATOM 282 N SER A 20 -9.393 -0.399 2.798 1.00 0.00 N ATOM 283 CA SER A 20 -10.194 0.556 2.047 1.00 0.00 C ATOM 284 C SER A 20 -11.494 -0.060 1.572 1.00 0.00 C ATOM 285 O SER A 20 -11.523 -1.190 1.084 1.00 0.00 O ATOM 286 CB SER A 20 -9.405 1.052 0.830 1.00 0.00 C ATOM 287 OG SER A 20 -10.036 2.211 0.304 1.00 0.00 O ATOM 0 H SER A 20 -9.622 -1.379 2.633 1.00 0.00 H new ATOM 0 HA SER A 20 -10.427 1.388 2.712 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.378 1.281 1.116 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.358 0.272 0.070 1.00 0.00 H new ATOM 0 HG SER A 20 -10.871 2.378 0.789 1.00 0.00 H new ATOM 293 N THR A 21 -12.562 0.716 1.691 1.00 0.00 N ATOM 294 CA THR A 21 -13.872 0.280 1.243 1.00 0.00 C ATOM 295 C THR A 21 -13.968 0.505 -0.253 1.00 0.00 C ATOM 296 O THR A 21 -13.739 1.613 -0.732 1.00 0.00 O ATOM 297 CB THR A 21 -14.985 1.067 1.953 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.762 1.025 3.356 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.342 0.439 1.631 1.00 0.00 C ATOM 0 H THR A 21 -12.544 1.652 2.095 1.00 0.00 H new ATOM 0 HA THR A 21 -13.998 -0.776 1.481 1.00 0.00 H new ATOM 0 HB THR A 21 -14.978 2.102 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.971 0.129 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.130 0.998 2.135 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.509 0.466 0.554 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.355 -0.596 1.974 1.00 0.00 H new ATOM 307 N CYS A 22 -14.301 -0.550 -0.995 1.00 0.00 N ATOM 308 CA CYS A 22 -14.412 -0.460 -2.452 1.00 0.00 C ATOM 309 C CYS A 22 -15.744 -1.012 -2.922 1.00 0.00 C ATOM 310 O CYS A 22 -16.387 -1.797 -2.225 1.00 0.00 O ATOM 311 CB CYS A 22 -13.267 -1.238 -3.108 1.00 0.00 C ATOM 312 SG CYS A 22 -11.683 -0.708 -2.411 1.00 0.00 S ATOM 0 H CYS A 22 -14.498 -1.475 -0.614 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.350 0.589 -2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.405 -2.308 -2.949 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.274 -1.073 -4.185 1.00 0.00 H new ATOM 317 N GLU A 23 -16.157 -0.581 -4.108 1.00 0.00 N ATOM 318 CA GLU A 23 -17.424 -1.017 -4.680 1.00 0.00 C ATOM 319 C GLU A 23 -17.288 -2.393 -5.324 1.00 0.00 C ATOM 320 O GLU A 23 -16.507 -2.581 -6.257 1.00 0.00 O ATOM 321 CB GLU A 23 -17.889 0.002 -5.724 1.00 0.00 C ATOM 322 CG GLU A 23 -17.720 1.417 -5.161 1.00 0.00 C ATOM 323 CD GLU A 23 -18.392 2.427 -6.095 1.00 0.00 C ATOM 324 OE1 GLU A 23 -19.607 2.388 -6.202 1.00 0.00 O ATOM 325 OE2 GLU A 23 -17.679 3.222 -6.685 1.00 0.00 O ATOM 0 H GLU A 23 -15.632 0.070 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.161 -1.087 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.309 -0.109 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.933 -0.176 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.161 1.478 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.661 1.653 -5.056 1.00 0.00 H new ATOM 332 N ARG A 24 -18.071 -3.346 -4.827 1.00 0.00 N ATOM 333 CA ARG A 24 -18.050 -4.699 -5.370 1.00 0.00 C ATOM 334 C ARG A 24 -18.509 -4.680 -6.815 1.00 0.00 C ATOM 335 O ARG A 24 -19.160 -3.733 -7.253 1.00 0.00 O ATOM 336 CB ARG A 24 -18.971 -5.624 -4.565 1.00 0.00 C ATOM 337 CG ARG A 24 -18.521 -5.685 -3.092 1.00 0.00 C ATOM 338 CD ARG A 24 -19.079 -6.951 -2.399 1.00 0.00 C ATOM 339 NE ARG A 24 -18.021 -8.001 -2.382 1.00 0.00 N ATOM 340 CZ ARG A 24 -18.221 -9.124 -1.748 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.374 -9.360 -1.186 1.00 0.00 N ATOM 342 NH2 ARG A 24 -17.267 -10.013 -1.677 1.00 0.00 N ATOM 0 H ARG A 24 -18.723 -3.208 -4.055 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.029 -5.074 -5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -19.998 -5.264 -4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.959 -6.625 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.432 -5.686 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.865 -4.795 -2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.393 -6.716 -1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -19.960 -7.313 -2.929 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.138 -7.841 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.120 -8.667 -1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.530 -10.238 -0.691 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.365 -9.830 -2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.424 -10.891 -1.181 1.00 0.00 H new ATOM 356 N THR A 25 -18.182 -5.737 -7.554 1.00 0.00 N ATOM 357 CA THR A 25 -18.581 -5.843 -8.953 1.00 0.00 C ATOM 358 C THR A 25 -19.870 -6.649 -9.049 1.00 0.00 C ATOM 359 O THR A 25 -20.679 -6.450 -9.954 1.00 0.00 O ATOM 360 CB THR A 25 -17.488 -6.553 -9.773 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.255 -5.865 -9.605 1.00 0.00 O ATOM 362 CG2 THR A 25 -17.873 -6.557 -11.252 1.00 0.00 C ATOM 0 H THR A 25 -17.643 -6.530 -7.207 1.00 0.00 H new ATOM 0 HA THR A 25 -18.731 -4.839 -9.351 1.00 0.00 H new ATOM 0 HB THR A 25 -17.385 -7.581 -9.427 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.556 -6.315 -10.124 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.097 -7.060 -11.829 1.00 0.00 H new ATOM 0 HG22 THR A 25 -18.819 -7.083 -11.380 1.00 0.00 H new ATOM 0 HG23 THR A 25 -17.978 -5.531 -11.603 1.00 0.00 H new ATOM 370 N ASN A 26 -20.054 -7.558 -8.089 1.00 0.00 N ATOM 371 CA ASN A 26 -21.251 -8.402 -8.034 1.00 0.00 C ATOM 372 C ASN A 26 -22.197 -7.867 -6.954 1.00 0.00 C ATOM 373 O ASN A 26 -23.326 -7.474 -7.239 1.00 0.00 O ATOM 374 CB ASN A 26 -20.832 -9.857 -7.724 1.00 0.00 C ATOM 375 CG ASN A 26 -21.860 -10.844 -8.291 1.00 0.00 C ATOM 376 OD1 ASN A 26 -21.811 -11.188 -9.457 1.00 0.00 O ATOM 377 ND2 ASN A 26 -22.792 -11.316 -7.511 1.00 0.00 N ATOM 0 H ASN A 26 -19.387 -7.729 -7.336 1.00 0.00 H new ATOM 0 HA ASN A 26 -21.770 -8.384 -8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -19.850 -10.058 -8.153 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -20.743 -9.994 -6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -23.480 -11.974 -7.878 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -22.833 -11.028 -6.533 1.00 0.00 H new ATOM 384 N GLY A 27 -21.723 -7.876 -5.711 1.00 0.00 N ATOM 385 CA GLY A 27 -22.523 -7.403 -4.589 1.00 0.00 C ATOM 386 C GLY A 27 -22.538 -5.883 -4.480 1.00 0.00 C ATOM 387 O GLY A 27 -22.579 -5.175 -5.485 1.00 0.00 O ATOM 0 H GLY A 27 -20.791 -8.205 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.545 -7.766 -4.698 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.131 -7.826 -3.664 1.00 0.00 H new ATOM 391 N GLY A 28 -22.531 -5.392 -3.239 1.00 0.00 N ATOM 392 CA GLY A 28 -22.562 -3.953 -2.964 1.00 0.00 C ATOM 393 C GLY A 28 -21.190 -3.401 -2.624 1.00 0.00 C ATOM 394 O GLY A 28 -20.367 -3.177 -3.508 1.00 0.00 O ATOM 0 H GLY A 28 -22.504 -5.975 -2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -22.957 -3.428 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.245 -3.758 -2.137 1.00 0.00 H new ATOM 398 N TYR A 29 -20.950 -3.160 -1.332 1.00 0.00 N ATOM 399 CA TYR A 29 -19.668 -2.616 -0.865 1.00 0.00 C ATOM 400 C TYR A 29 -18.893 -3.679 -0.087 1.00 0.00 C ATOM 401 O TYR A 29 -19.482 -4.478 0.641 1.00 0.00 O ATOM 402 CB TYR A 29 -19.924 -1.414 0.049 1.00 0.00 C ATOM 403 CG TYR A 29 -20.704 -0.355 -0.704 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.093 0.336 -1.772 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.038 -0.052 -0.340 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.811 1.326 -2.477 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.754 0.941 -1.045 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.141 1.628 -2.114 1.00 0.00 C ATOM 409 OH TYR A 29 -22.824 2.630 -2.774 1.00 0.00 O ATOM 0 H TYR A 29 -21.627 -3.333 -0.589 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.082 -2.307 -1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.479 -1.729 0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -18.977 -1.002 0.398 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.075 0.107 -2.050 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.508 -0.580 0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.342 1.853 -3.295 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.771 1.174 -0.766 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.728 2.709 -2.403 1.00 0.00 H new ATOM 419 N ASN A 30 -17.566 -3.678 -0.239 1.00 0.00 N ATOM 420 CA ASN A 30 -16.702 -4.643 0.457 1.00 0.00 C ATOM 421 C ASN A 30 -15.473 -3.938 1.015 1.00 0.00 C ATOM 422 O ASN A 30 -14.760 -3.245 0.289 1.00 0.00 O ATOM 423 CB ASN A 30 -16.259 -5.745 -0.515 1.00 0.00 C ATOM 424 CG ASN A 30 -15.211 -6.648 0.143 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.544 -7.641 0.760 1.00 0.00 O ATOM 426 ND2 ASN A 30 -13.947 -6.342 0.033 1.00 0.00 N ATOM 0 H ASN A 30 -17.064 -3.021 -0.837 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.265 -5.088 1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.121 -6.339 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.846 -5.297 -1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.239 -6.936 0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.667 -5.509 -0.485 1.00 0.00 H new ATOM 433 N THR A 31 -15.223 -4.134 2.311 1.00 0.00 N ATOM 434 CA THR A 31 -14.067 -3.528 2.977 1.00 0.00 C ATOM 435 C THR A 31 -13.043 -4.590 3.334 1.00 0.00 C ATOM 436 O THR A 31 -13.120 -5.217 4.390 1.00 0.00 O ATOM 437 CB THR A 31 -14.488 -2.794 4.263 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.509 -1.854 3.957 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.282 -2.062 4.853 1.00 0.00 C ATOM 0 H THR A 31 -15.805 -4.708 2.921 1.00 0.00 H new ATOM 0 HA THR A 31 -13.630 -2.811 2.283 1.00 0.00 H new ATOM 0 HB THR A 31 -14.863 -3.517 4.988 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.779 -1.387 4.775 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.581 -1.543 5.763 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.498 -2.782 5.087 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.906 -1.339 4.130 1.00 0.00 H new ATOM 447 N SER A 32 -12.076 -4.778 2.439 1.00 0.00 N ATOM 448 CA SER A 32 -11.007 -5.757 2.641 1.00 0.00 C ATOM 449 C SER A 32 -9.690 -5.028 2.856 1.00 0.00 C ATOM 450 O SER A 32 -9.626 -3.801 2.772 1.00 0.00 O ATOM 451 CB SER A 32 -10.899 -6.674 1.418 1.00 0.00 C ATOM 452 OG SER A 32 -11.930 -7.649 1.474 1.00 0.00 O ATOM 0 H SER A 32 -12.010 -4.263 1.561 1.00 0.00 H new ATOM 0 HA SER A 32 -11.234 -6.364 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.984 -6.090 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.923 -7.160 1.397 1.00 0.00 H new ATOM 0 HG SER A 32 -11.896 -8.207 0.669 1.00 0.00 H new ATOM 458 N SER A 33 -8.637 -5.790 3.125 1.00 0.00 N ATOM 459 CA SER A 33 -7.317 -5.210 3.345 1.00 0.00 C ATOM 460 C SER A 33 -6.244 -6.089 2.723 1.00 0.00 C ATOM 461 O SER A 33 -6.456 -7.280 2.498 1.00 0.00 O ATOM 462 CB SER A 33 -7.053 -5.059 4.844 1.00 0.00 C ATOM 463 OG SER A 33 -7.114 -6.338 5.463 1.00 0.00 O ATOM 0 H SER A 33 -8.670 -6.807 3.196 1.00 0.00 H new ATOM 0 HA SER A 33 -7.287 -4.227 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.074 -4.609 5.009 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.790 -4.391 5.289 1.00 0.00 H new ATOM 0 HG SER A 33 -6.944 -6.245 6.424 1.00 0.00 H new ATOM 469 N ILE A 34 -5.090 -5.493 2.442 1.00 0.00 N ATOM 470 CA ILE A 34 -3.977 -6.224 1.837 1.00 0.00 C ATOM 471 C ILE A 34 -2.659 -5.738 2.421 1.00 0.00 C ATOM 472 O ILE A 34 -2.316 -4.559 2.323 1.00 0.00 O ATOM 473 CB ILE A 34 -3.971 -6.038 0.297 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.749 -6.733 -0.337 1.00 0.00 C ATOM 475 CG2 ILE A 34 -3.943 -4.546 -0.057 1.00 0.00 C ATOM 476 CD1 ILE A 34 -2.726 -8.228 0.027 1.00 0.00 C ATOM 0 H ILE A 34 -4.899 -4.507 2.622 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.100 -7.284 2.057 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.880 -6.491 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.780 -6.618 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.832 -6.255 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.939 -4.429 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.825 -4.057 0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.045 -4.090 0.360 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.856 -8.700 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.672 -8.338 1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.634 -8.706 -0.341 1.00 0.00 H new ATOM 488 N ASP A 35 -1.920 -6.654 3.034 1.00 0.00 N ATOM 489 CA ASP A 35 -0.643 -6.296 3.625 1.00 0.00 C ATOM 490 C ASP A 35 0.318 -5.874 2.522 1.00 0.00 C ATOM 491 O ASP A 35 0.636 -6.658 1.628 1.00 0.00 O ATOM 492 CB ASP A 35 -0.080 -7.488 4.444 1.00 0.00 C ATOM 493 CG ASP A 35 0.486 -7.002 5.791 1.00 0.00 C ATOM 494 OD1 ASP A 35 -0.233 -6.317 6.499 1.00 0.00 O ATOM 495 OD2 ASP A 35 1.623 -7.323 6.087 1.00 0.00 O ATOM 0 H ASP A 35 -2.180 -7.635 3.133 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.773 -5.459 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.868 -8.221 4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.702 -7.990 3.875 1.00 0.00 H new ATOM 500 N LEU A 36 0.793 -4.641 2.604 1.00 0.00 N ATOM 501 CA LEU A 36 1.732 -4.140 1.618 1.00 0.00 C ATOM 502 C LEU A 36 3.083 -4.781 1.860 1.00 0.00 C ATOM 503 O LEU A 36 4.027 -4.581 1.099 1.00 0.00 O ATOM 504 CB LEU A 36 1.865 -2.622 1.749 1.00 0.00 C ATOM 505 CG LEU A 36 0.526 -1.928 1.468 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.662 -0.442 1.818 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.139 -2.080 -0.020 1.00 0.00 C ATOM 0 H LEU A 36 0.546 -3.976 3.337 1.00 0.00 H new ATOM 0 HA LEU A 36 1.373 -4.382 0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.207 -2.368 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.621 -2.258 1.053 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.255 -2.388 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.283 0.066 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.919 -0.339 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.447 0.005 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.813 -1.582 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.910 -1.628 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.047 -3.138 -0.266 1.00 0.00 H new ATOM 519 N ASN A 37 3.156 -5.565 2.928 1.00 0.00 N ATOM 520 CA ASN A 37 4.389 -6.241 3.280 1.00 0.00 C ATOM 521 C ASN A 37 4.709 -7.349 2.300 1.00 0.00 C ATOM 522 O ASN A 37 5.868 -7.714 2.140 1.00 0.00 O ATOM 523 CB ASN A 37 4.299 -6.834 4.683 1.00 0.00 C ATOM 524 CG ASN A 37 5.626 -7.519 5.027 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.734 -6.831 4.984 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.654 -8.695 5.324 1.00 0.00 N flip ATOM 0 H ASN A 37 2.377 -5.745 3.561 1.00 0.00 H new ATOM 0 HA ASN A 37 5.184 -5.496 3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.082 -6.050 5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.481 -7.552 4.735 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.788 -9.233 5.358 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.543 -9.145 5.540 1.00 0.00 H new ATOM 533 N SER A 38 3.694 -7.916 1.660 1.00 0.00 N ATOM 534 CA SER A 38 3.916 -9.008 0.723 1.00 0.00 C ATOM 535 C SER A 38 4.198 -8.484 -0.684 1.00 0.00 C ATOM 536 O SER A 38 4.355 -9.269 -1.619 1.00 0.00 O ATOM 537 CB SER A 38 2.666 -9.899 0.709 1.00 0.00 C ATOM 538 OG SER A 38 3.019 -11.201 0.268 1.00 0.00 O ATOM 0 H SER A 38 2.718 -7.641 1.771 1.00 0.00 H new ATOM 0 HA SER A 38 4.788 -9.579 1.042 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.229 -9.947 1.707 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.910 -9.473 0.050 1.00 0.00 H new ATOM 0 HG SER A 38 3.607 -11.134 -0.513 1.00 0.00 H new ATOM 544 N VAL A 39 4.238 -7.156 -0.846 1.00 0.00 N ATOM 545 CA VAL A 39 4.477 -6.564 -2.170 1.00 0.00 C ATOM 546 C VAL A 39 5.379 -5.325 -2.096 1.00 0.00 C ATOM 547 O VAL A 39 5.488 -4.588 -3.074 1.00 0.00 O ATOM 548 CB VAL A 39 3.134 -6.165 -2.833 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.401 -7.421 -3.326 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.255 -5.435 -1.808 1.00 0.00 C ATOM 0 H VAL A 39 4.111 -6.480 -0.093 1.00 0.00 H new ATOM 0 HA VAL A 39 4.983 -7.323 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 39 3.335 -5.509 -3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.458 -7.133 -3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.021 -7.941 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.203 -8.081 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.310 -5.154 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.061 -6.093 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.769 -4.539 -1.461 1.00 0.00 H new ATOM 560 N ILE A 40 6.038 -5.095 -0.952 1.00 0.00 N ATOM 561 CA ILE A 40 6.938 -3.931 -0.809 1.00 0.00 C ATOM 562 C ILE A 40 8.220 -4.334 -0.067 1.00 0.00 C ATOM 563 O ILE A 40 8.177 -5.122 0.870 1.00 0.00 O ATOM 564 CB ILE A 40 6.252 -2.772 -0.035 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.052 -2.204 -0.833 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.258 -1.652 0.262 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.494 -1.262 -1.965 1.00 0.00 C ATOM 0 H ILE A 40 5.971 -5.685 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 40 7.182 -3.586 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 40 5.881 -3.175 0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.476 -3.028 -1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.390 -1.666 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.759 -0.849 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.074 -2.047 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.657 -1.263 -0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.616 -0.891 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.046 -0.422 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.134 -1.805 -2.661 1.00 0.00 H new ATOM 579 N ALA A 41 9.361 -3.774 -0.501 1.00 0.00 N ATOM 580 CA ALA A 41 10.674 -4.066 0.114 1.00 0.00 C ATOM 581 C ALA A 41 11.377 -2.766 0.537 1.00 0.00 C ATOM 582 O ALA A 41 11.223 -1.732 -0.109 1.00 0.00 O ATOM 583 CB ALA A 41 11.549 -4.820 -0.894 1.00 0.00 C ATOM 0 H ALA A 41 9.404 -3.114 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 41 10.518 -4.679 1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.518 -5.037 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.061 -5.754 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.691 -4.206 -1.783 1.00 0.00 H new ATOM 589 N ALA A 42 12.153 -2.830 1.630 1.00 0.00 N ATOM 590 CA ALA A 42 12.890 -1.653 2.129 1.00 0.00 C ATOM 591 C ALA A 42 14.363 -1.737 1.741 1.00 0.00 C ATOM 592 O ALA A 42 15.087 -2.609 2.222 1.00 0.00 O ATOM 593 CB ALA A 42 12.800 -1.568 3.649 1.00 0.00 C ATOM 0 H ALA A 42 12.288 -3.676 2.183 1.00 0.00 H new ATOM 0 HA ALA A 42 12.438 -0.768 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.350 -0.694 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.755 -1.483 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.231 -2.467 4.090 1.00 0.00 H new ATOM 599 N VAL A 43 14.802 -0.831 0.865 1.00 0.00 N ATOM 600 CA VAL A 43 16.199 -0.808 0.411 1.00 0.00 C ATOM 601 C VAL A 43 16.821 0.568 0.623 1.00 0.00 C ATOM 602 O VAL A 43 16.540 1.505 -0.120 1.00 0.00 O ATOM 603 CB VAL A 43 16.288 -1.152 -1.085 1.00 0.00 C ATOM 604 CG1 VAL A 43 17.756 -1.244 -1.506 1.00 0.00 C ATOM 605 CG2 VAL A 43 15.606 -2.498 -1.334 1.00 0.00 C ATOM 0 H VAL A 43 14.215 -0.105 0.455 1.00 0.00 H new ATOM 0 HA VAL A 43 16.741 -1.549 0.998 1.00 0.00 H new ATOM 0 HB VAL A 43 15.793 -0.374 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.816 -1.488 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.247 -0.288 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.253 -2.022 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 43 15.667 -2.746 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.105 -3.272 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.560 -2.436 -1.035 1.00 0.00 H new ATOM 615 N ASP A 44 17.654 0.675 1.656 1.00 0.00 N ATOM 616 CA ASP A 44 18.324 1.928 1.994 1.00 0.00 C ATOM 617 C ASP A 44 17.327 3.076 2.151 1.00 0.00 C ATOM 618 O ASP A 44 17.634 4.224 1.835 1.00 0.00 O ATOM 619 CB ASP A 44 19.400 2.280 0.948 1.00 0.00 C ATOM 620 CG ASP A 44 18.766 2.835 -0.332 1.00 0.00 C ATOM 621 OD1 ASP A 44 18.488 4.022 -0.369 1.00 0.00 O ATOM 622 OD2 ASP A 44 18.577 2.064 -1.255 1.00 0.00 O ATOM 0 H ASP A 44 17.882 -0.100 2.279 1.00 0.00 H new ATOM 0 HA ASP A 44 18.816 1.783 2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 44 20.089 3.015 1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.986 1.392 0.712 1.00 0.00 H new ATOM 627 N GLY A 45 16.135 2.766 2.657 1.00 0.00 N ATOM 628 CA GLY A 45 15.117 3.783 2.860 1.00 0.00 C ATOM 629 C GLY A 45 14.340 4.059 1.594 1.00 0.00 C ATOM 630 O GLY A 45 13.965 5.199 1.320 1.00 0.00 O ATOM 0 H GLY A 45 15.856 1.824 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.432 3.460 3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.587 4.704 3.206 1.00 0.00 H new ATOM 634 N SER A 46 14.090 3.007 0.816 1.00 0.00 N ATOM 635 CA SER A 46 13.345 3.135 -0.439 1.00 0.00 C ATOM 636 C SER A 46 12.344 1.995 -0.583 1.00 0.00 C ATOM 637 O SER A 46 12.714 0.823 -0.529 1.00 0.00 O ATOM 638 CB SER A 46 14.314 3.107 -1.621 1.00 0.00 C ATOM 639 OG SER A 46 15.380 4.017 -1.380 1.00 0.00 O ATOM 0 H SER A 46 14.391 2.057 1.031 1.00 0.00 H new ATOM 0 HA SER A 46 12.806 4.082 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.706 2.099 -1.760 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.792 3.376 -2.539 1.00 0.00 H new ATOM 0 HG SER A 46 16.104 3.555 -0.907 1.00 0.00 H new ATOM 645 N LEU A 47 11.071 2.345 -0.775 1.00 0.00 N ATOM 646 CA LEU A 47 10.022 1.338 -0.940 1.00 0.00 C ATOM 647 C LEU A 47 9.888 0.962 -2.410 1.00 0.00 C ATOM 648 O LEU A 47 9.601 1.810 -3.255 1.00 0.00 O ATOM 649 CB LEU A 47 8.679 1.871 -0.434 1.00 0.00 C ATOM 650 CG LEU A 47 8.782 2.283 1.041 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.432 2.855 1.485 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.149 1.070 1.922 1.00 0.00 C ATOM 0 H LEU A 47 10.743 3.310 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 47 10.299 0.458 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.371 2.726 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.911 1.106 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 47 9.565 3.033 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.490 3.152 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.186 3.724 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.658 2.097 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.217 1.384 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.381 0.303 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.109 0.665 1.602 1.00 0.00 H new ATOM 664 N LYS A 48 10.100 -0.320 -2.705 1.00 0.00 N ATOM 665 CA LYS A 48 10.008 -0.833 -4.077 1.00 0.00 C ATOM 666 C LYS A 48 8.963 -1.939 -4.138 1.00 0.00 C ATOM 667 O LYS A 48 8.812 -2.700 -3.190 1.00 0.00 O ATOM 668 CB LYS A 48 11.366 -1.401 -4.516 1.00 0.00 C ATOM 669 CG LYS A 48 12.486 -0.342 -4.357 1.00 0.00 C ATOM 670 CD LYS A 48 12.560 0.574 -5.600 1.00 0.00 C ATOM 671 CE LYS A 48 13.315 -0.117 -6.750 1.00 0.00 C ATOM 672 NZ LYS A 48 13.737 0.910 -7.744 1.00 0.00 N ATOM 0 H LYS A 48 10.338 -1.028 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 48 9.723 -0.018 -4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.606 -2.282 -3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.311 -1.724 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.299 0.260 -3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.444 -0.840 -4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.553 0.833 -5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.061 1.506 -5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.186 -0.646 -6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.676 -0.861 -7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.248 0.449 -8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.897 1.396 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.361 1.603 -7.283 1.00 0.00 H new ATOM 686 N TRP A 49 8.241 -2.021 -5.251 1.00 0.00 N ATOM 687 CA TRP A 49 7.205 -3.042 -5.407 1.00 0.00 C ATOM 688 C TRP A 49 7.812 -4.431 -5.563 1.00 0.00 C ATOM 689 O TRP A 49 9.014 -4.618 -5.378 1.00 0.00 O ATOM 690 CB TRP A 49 6.331 -2.711 -6.626 1.00 0.00 C ATOM 691 CG TRP A 49 5.476 -1.533 -6.298 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.635 -0.287 -6.799 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.344 -1.474 -5.391 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.681 0.543 -6.240 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.858 -0.141 -5.369 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.694 -2.441 -4.583 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.770 0.226 -4.572 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.588 -2.077 -3.780 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.128 -0.741 -3.772 1.00 0.00 C ATOM 0 H TRP A 49 8.351 -1.400 -6.053 1.00 0.00 H new ATOM 0 HA TRP A 49 6.591 -3.044 -4.506 1.00 0.00 H new ATOM 0 HB2 TRP A 49 6.957 -2.494 -7.492 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.710 -3.567 -6.889 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.384 0.011 -7.518 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.596 1.538 -6.446 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.046 -3.462 -4.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.422 1.248 -4.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.095 -2.821 -3.172 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.287 -0.461 -3.155 1.00 0.00 H new ATOM 710 N GLN A 50 6.957 -5.402 -5.892 1.00 0.00 N ATOM 711 CA GLN A 50 7.380 -6.795 -6.069 1.00 0.00 C ATOM 712 C GLN A 50 8.442 -7.186 -5.047 1.00 0.00 C ATOM 713 O GLN A 50 9.403 -7.882 -5.374 1.00 0.00 O ATOM 714 CB GLN A 50 7.912 -7.024 -7.493 1.00 0.00 C ATOM 715 CG GLN A 50 9.111 -6.107 -7.787 1.00 0.00 C ATOM 716 CD GLN A 50 9.802 -6.566 -9.073 1.00 0.00 C ATOM 717 OE1 GLN A 50 9.343 -7.477 -9.732 1.00 0.00 O ATOM 718 NE2 GLN A 50 10.898 -5.971 -9.455 1.00 0.00 N ATOM 0 H GLN A 50 5.960 -5.248 -6.042 1.00 0.00 H new ATOM 0 HA GLN A 50 6.506 -7.426 -5.912 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.209 -8.066 -7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.119 -6.835 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.776 -5.075 -7.890 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.814 -6.132 -6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.283 -5.206 -8.901 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.370 -6.271 -10.308 1.00 0.00 H new ATOM 727 N GLY A 51 8.268 -6.727 -3.808 1.00 0.00 N ATOM 728 CA GLY A 51 9.220 -7.021 -2.744 1.00 0.00 C ATOM 729 C GLY A 51 8.534 -7.355 -1.435 1.00 0.00 C ATOM 730 O GLY A 51 7.305 -7.388 -1.355 1.00 0.00 O ATOM 0 H GLY A 51 7.477 -6.151 -3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.851 -7.857 -3.045 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.876 -6.163 -2.599 1.00 0.00 H new ATOM 734 N SER A 52 9.338 -7.617 -0.403 1.00 0.00 N ATOM 735 CA SER A 52 8.806 -7.964 0.914 1.00 0.00 C ATOM 736 C SER A 52 9.821 -7.633 2.012 1.00 0.00 C ATOM 737 O SER A 52 10.945 -7.218 1.727 1.00 0.00 O ATOM 738 CB SER A 52 8.455 -9.458 0.946 1.00 0.00 C ATOM 739 OG SER A 52 9.471 -10.189 0.274 1.00 0.00 O ATOM 0 H SER A 52 10.356 -7.595 -0.454 1.00 0.00 H new ATOM 0 HA SER A 52 7.906 -7.378 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.364 -9.801 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.491 -9.628 0.467 1.00 0.00 H new ATOM 0 HG SER A 52 9.253 -11.144 0.293 1.00 0.00 H new ATOM 745 N ASN A 53 9.409 -7.818 3.267 1.00 0.00 N ATOM 746 CA ASN A 53 10.275 -7.541 4.416 1.00 0.00 C ATOM 747 C ASN A 53 10.698 -6.065 4.441 1.00 0.00 C ATOM 748 O ASN A 53 11.884 -5.750 4.546 1.00 0.00 O ATOM 749 CB ASN A 53 11.521 -8.470 4.393 1.00 0.00 C ATOM 750 CG ASN A 53 11.229 -9.775 5.144 1.00 0.00 C ATOM 751 OD1 ASN A 53 10.378 -10.545 4.746 1.00 0.00 O ATOM 752 ND2 ASN A 53 11.906 -10.051 6.225 1.00 0.00 N ATOM 0 H ASN A 53 8.480 -8.159 3.515 1.00 0.00 H new ATOM 0 HA ASN A 53 9.710 -7.744 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.799 -8.691 3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.370 -7.962 4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.721 -10.914 6.736 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.620 -9.404 6.558 1.00 0.00 H new ATOM 759 N PHE A 54 9.715 -5.159 4.373 1.00 0.00 N ATOM 760 CA PHE A 54 9.994 -3.715 4.418 1.00 0.00 C ATOM 761 C PHE A 54 9.532 -3.148 5.754 1.00 0.00 C ATOM 762 O PHE A 54 10.196 -2.303 6.342 1.00 0.00 O ATOM 763 CB PHE A 54 9.294 -2.988 3.233 1.00 0.00 C ATOM 764 CG PHE A 54 7.933 -2.437 3.618 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.826 -1.177 4.240 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.779 -3.185 3.343 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.555 -0.669 4.591 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.505 -2.682 3.688 1.00 0.00 C ATOM 769 CZ PHE A 54 5.393 -1.422 4.315 1.00 0.00 C ATOM 0 H PHE A 54 8.727 -5.395 4.287 1.00 0.00 H new ATOM 0 HA PHE A 54 11.068 -3.553 4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.928 -2.173 2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.180 -3.682 2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.715 -0.600 4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.865 -4.150 2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.472 0.295 5.070 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.618 -3.260 3.473 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.421 -1.035 4.583 1.00 0.00 H new ATOM 779 N ILE A 55 8.399 -3.654 6.225 1.00 0.00 N ATOM 780 CA ILE A 55 7.841 -3.211 7.495 1.00 0.00 C ATOM 781 C ILE A 55 8.808 -3.490 8.627 1.00 0.00 C ATOM 782 O ILE A 55 8.944 -2.690 9.552 1.00 0.00 O ATOM 783 CB ILE A 55 6.515 -3.937 7.797 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.922 -3.452 9.141 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.767 -5.446 7.877 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.730 -1.921 9.134 1.00 0.00 C ATOM 0 H ILE A 55 7.850 -4.369 5.748 1.00 0.00 H new ATOM 0 HA ILE A 55 7.661 -2.139 7.416 1.00 0.00 H new ATOM 0 HB ILE A 55 5.808 -3.716 6.998 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.965 -3.942 9.320 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.583 -3.736 9.959 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.830 -5.961 8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.166 -5.799 6.926 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.484 -5.654 8.671 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.312 -1.602 10.089 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.693 -1.434 8.979 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.049 -1.643 8.329 1.00 0.00 H new ATOM 798 N GLU A 56 9.471 -4.633 8.559 1.00 0.00 N ATOM 799 CA GLU A 56 10.416 -5.000 9.595 1.00 0.00 C ATOM 800 C GLU A 56 11.408 -3.866 9.825 1.00 0.00 C ATOM 801 O GLU A 56 11.958 -3.728 10.917 1.00 0.00 O ATOM 802 CB GLU A 56 11.147 -6.295 9.209 1.00 0.00 C ATOM 803 CG GLU A 56 11.927 -6.120 7.870 1.00 0.00 C ATOM 804 CD GLU A 56 13.433 -5.954 8.129 1.00 0.00 C ATOM 805 OE1 GLU A 56 13.947 -6.637 9.000 1.00 0.00 O ATOM 806 OE2 GLU A 56 14.046 -5.155 7.442 1.00 0.00 O ATOM 0 H GLU A 56 9.373 -5.314 7.806 1.00 0.00 H new ATOM 0 HA GLU A 56 9.875 -5.176 10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.839 -6.576 10.003 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.427 -7.108 9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.757 -6.986 7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.548 -5.249 7.335 1.00 0.00 H new ATOM 813 N ALA A 57 11.638 -3.052 8.783 1.00 0.00 N ATOM 814 CA ALA A 57 12.573 -1.925 8.873 1.00 0.00 C ATOM 815 C ALA A 57 11.873 -0.588 8.609 1.00 0.00 C ATOM 816 O ALA A 57 12.533 0.386 8.263 1.00 0.00 O ATOM 817 CB ALA A 57 13.697 -2.122 7.862 1.00 0.00 C ATOM 0 H ALA A 57 11.190 -3.154 7.872 1.00 0.00 H new ATOM 0 HA ALA A 57 12.976 -1.897 9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.394 -1.287 7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.223 -3.051 8.080 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.278 -2.169 6.857 1.00 0.00 H new ATOM 823 N CYS A 58 10.538 -0.538 8.758 1.00 0.00 N ATOM 824 CA CYS A 58 9.781 0.711 8.527 1.00 0.00 C ATOM 825 C CYS A 58 8.801 0.960 9.672 1.00 0.00 C ATOM 826 O CYS A 58 8.513 0.068 10.470 1.00 0.00 O ATOM 827 CB CYS A 58 9.018 0.639 7.175 1.00 0.00 C ATOM 828 SG CYS A 58 9.477 2.022 6.090 1.00 0.00 S ATOM 0 H CYS A 58 9.964 -1.335 9.034 1.00 0.00 H new ATOM 0 HA CYS A 58 10.488 1.540 8.486 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.240 -0.306 6.679 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.944 0.658 7.359 1.00 0.00 H new ATOM 833 N ARG A 59 8.289 2.186 9.727 1.00 0.00 N ATOM 834 CA ARG A 59 7.333 2.572 10.757 1.00 0.00 C ATOM 835 C ARG A 59 6.550 3.801 10.309 1.00 0.00 C ATOM 836 O ARG A 59 6.865 4.406 9.283 1.00 0.00 O ATOM 837 CB ARG A 59 8.064 2.870 12.079 1.00 0.00 C ATOM 838 CG ARG A 59 9.067 4.060 11.917 1.00 0.00 C ATOM 839 CD ARG A 59 10.516 3.585 12.094 1.00 0.00 C ATOM 840 NE ARG A 59 11.427 4.768 12.099 1.00 0.00 N ATOM 841 CZ ARG A 59 11.532 5.515 13.167 1.00 0.00 C ATOM 842 NH1 ARG A 59 10.934 5.165 14.273 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.236 6.613 13.128 1.00 0.00 N ATOM 0 H ARG A 59 8.521 2.930 9.069 1.00 0.00 H new ATOM 0 HA ARG A 59 6.640 1.746 10.917 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.336 3.108 12.854 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.601 1.981 12.409 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.946 4.511 10.932 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.841 4.833 12.652 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.617 3.030 13.027 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.789 2.905 11.287 1.00 0.00 H new ATOM 0 HE ARG A 59 11.970 4.994 11.266 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.383 4.307 14.306 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.017 5.749 15.105 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.704 6.888 12.265 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.318 7.196 13.961 1.00 0.00 H new ATOM 857 N ASN A 60 5.536 4.168 11.081 1.00 0.00 N ATOM 858 CA ASN A 60 4.723 5.329 10.747 1.00 0.00 C ATOM 859 C ASN A 60 4.202 5.225 9.321 1.00 0.00 C ATOM 860 O ASN A 60 4.436 6.112 8.501 1.00 0.00 O ATOM 861 CB ASN A 60 5.549 6.609 10.890 1.00 0.00 C ATOM 862 CG ASN A 60 5.888 6.837 12.362 1.00 0.00 C ATOM 863 OD1 ASN A 60 7.097 6.594 12.784 1.00 0.00 O flip ATOM 864 ND2 ASN A 60 5.043 7.240 13.137 1.00 0.00 N flip ATOM 0 H ASN A 60 5.259 3.684 11.935 1.00 0.00 H new ATOM 0 HA ASN A 60 3.878 5.362 11.434 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.464 6.531 10.303 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.991 7.460 10.499 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.097 7.430 12.806 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.280 7.388 14.118 1.00 0.00 H new ATOM 871 N THR A 61 3.473 4.149 9.033 1.00 0.00 N ATOM 872 CA THR A 61 2.897 3.945 7.706 1.00 0.00 C ATOM 873 C THR A 61 1.464 4.473 7.703 1.00 0.00 C ATOM 874 O THR A 61 0.705 4.227 8.640 1.00 0.00 O ATOM 875 CB THR A 61 2.898 2.440 7.343 1.00 0.00 C ATOM 876 OG1 THR A 61 2.456 1.686 8.459 1.00 0.00 O ATOM 877 CG2 THR A 61 4.317 1.997 6.960 1.00 0.00 C ATOM 0 H THR A 61 3.267 3.405 9.700 1.00 0.00 H new ATOM 0 HA THR A 61 3.494 4.480 6.968 1.00 0.00 H new ATOM 0 HB THR A 61 2.229 2.274 6.499 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.211 1.522 9.062 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.311 0.937 6.706 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.659 2.574 6.101 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.990 2.165 7.801 1.00 0.00 H new ATOM 885 N GLN A 62 1.097 5.203 6.653 1.00 0.00 N ATOM 886 CA GLN A 62 -0.252 5.761 6.562 1.00 0.00 C ATOM 887 C GLN A 62 -0.582 6.156 5.123 1.00 0.00 C ATOM 888 O GLN A 62 0.307 6.260 4.277 1.00 0.00 O ATOM 889 CB GLN A 62 -0.378 6.987 7.469 1.00 0.00 C ATOM 890 CG GLN A 62 0.726 7.995 7.151 1.00 0.00 C ATOM 891 CD GLN A 62 0.485 9.271 7.959 1.00 0.00 C ATOM 892 OE1 GLN A 62 0.078 9.212 9.102 1.00 0.00 O ATOM 893 NE2 GLN A 62 0.719 10.430 7.409 1.00 0.00 N ATOM 0 H GLN A 62 1.704 5.421 5.863 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.957 4.995 6.886 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.355 7.451 7.332 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.313 6.684 8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.701 7.574 7.395 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.734 8.221 6.085 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.061 10.479 6.449 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.560 11.287 7.939 1.00 0.00 H new ATOM 902 N LEU A 63 -1.867 6.390 4.856 1.00 0.00 N ATOM 903 CA LEU A 63 -2.309 6.794 3.521 1.00 0.00 C ATOM 904 C LEU A 63 -2.136 8.297 3.357 1.00 0.00 C ATOM 905 O LEU A 63 -2.477 9.070 4.250 1.00 0.00 O ATOM 906 CB LEU A 63 -3.788 6.430 3.325 1.00 0.00 C ATOM 907 CG LEU A 63 -4.210 6.650 1.844 1.00 0.00 C ATOM 908 CD1 LEU A 63 -3.920 5.396 1.008 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.710 6.960 1.773 1.00 0.00 C ATOM 0 H LEU A 63 -2.617 6.307 5.543 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.707 6.272 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.953 5.390 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.409 7.040 3.981 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.637 7.487 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.222 5.569 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.853 5.175 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.479 4.552 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.001 7.113 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.274 6.125 2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.923 7.862 2.346 1.00 0.00 H new ATOM 921 N ALA A 64 -1.618 8.705 2.199 1.00 0.00 N ATOM 922 CA ALA A 64 -1.407 10.124 1.901 1.00 0.00 C ATOM 923 C ALA A 64 -2.067 10.478 0.570 1.00 0.00 C ATOM 924 O ALA A 64 -1.982 9.723 -0.395 1.00 0.00 O ATOM 925 CB ALA A 64 0.090 10.418 1.851 1.00 0.00 C ATOM 0 H ALA A 64 -1.336 8.073 1.450 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.859 10.732 2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.246 11.474 1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.540 10.179 2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.554 9.811 1.073 1.00 0.00 H new ATOM 931 N GLY A 65 -2.717 11.637 0.533 1.00 0.00 N ATOM 932 CA GLY A 65 -3.383 12.096 -0.675 1.00 0.00 C ATOM 933 C GLY A 65 -4.623 11.285 -1.016 1.00 0.00 C ATOM 934 O GLY A 65 -5.743 11.789 -0.934 1.00 0.00 O ATOM 0 H GLY A 65 -2.795 12.273 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.662 13.143 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.683 12.048 -1.509 1.00 0.00 H new ATOM 938 N SER A 66 -4.411 10.021 -1.376 1.00 0.00 N ATOM 939 CA SER A 66 -5.522 9.127 -1.721 1.00 0.00 C ATOM 940 C SER A 66 -5.040 7.711 -2.016 1.00 0.00 C ATOM 941 O SER A 66 -5.661 6.736 -1.593 1.00 0.00 O ATOM 942 CB SER A 66 -6.280 9.657 -2.948 1.00 0.00 C ATOM 943 OG SER A 66 -7.556 9.034 -3.011 1.00 0.00 O ATOM 0 H SER A 66 -3.488 9.592 -1.437 1.00 0.00 H new ATOM 0 HA SER A 66 -6.185 9.098 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.393 10.739 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.715 9.450 -3.857 1.00 0.00 H new ATOM 0 HG SER A 66 -7.510 8.254 -3.602 1.00 0.00 H new ATOM 949 N SER A 67 -3.940 7.599 -2.762 1.00 0.00 N ATOM 950 CA SER A 67 -3.395 6.288 -3.125 1.00 0.00 C ATOM 951 C SER A 67 -1.889 6.263 -2.943 1.00 0.00 C ATOM 952 O SER A 67 -1.196 5.504 -3.611 1.00 0.00 O ATOM 953 CB SER A 67 -3.747 5.961 -4.584 1.00 0.00 C ATOM 954 OG SER A 67 -2.641 6.261 -5.430 1.00 0.00 O ATOM 0 H SER A 67 -3.412 8.393 -3.125 1.00 0.00 H new ATOM 0 HA SER A 67 -3.836 5.538 -2.469 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.011 4.907 -4.676 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.619 6.536 -4.894 1.00 0.00 H new ATOM 0 HG SER A 67 -1.912 5.630 -5.252 1.00 0.00 H new ATOM 960 N GLU A 68 -1.388 7.082 -2.025 1.00 0.00 N ATOM 961 CA GLU A 68 0.047 7.130 -1.738 1.00 0.00 C ATOM 962 C GLU A 68 0.286 6.557 -0.350 1.00 0.00 C ATOM 963 O GLU A 68 -0.560 6.684 0.535 1.00 0.00 O ATOM 964 CB GLU A 68 0.562 8.570 -1.815 1.00 0.00 C ATOM 965 CG GLU A 68 0.038 9.232 -3.092 1.00 0.00 C ATOM 966 CD GLU A 68 0.593 10.655 -3.196 1.00 0.00 C ATOM 967 OE1 GLU A 68 0.833 11.254 -2.160 1.00 0.00 O ATOM 968 OE2 GLU A 68 0.768 11.121 -4.310 1.00 0.00 O ATOM 0 H GLU A 68 -1.951 7.723 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 68 0.588 6.540 -2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.234 9.132 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.652 8.579 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.336 8.650 -3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.052 9.255 -3.081 1.00 0.00 H new ATOM 975 N LEU A 69 1.441 5.926 -0.167 1.00 0.00 N ATOM 976 CA LEU A 69 1.802 5.322 1.121 1.00 0.00 C ATOM 977 C LEU A 69 3.061 5.975 1.647 1.00 0.00 C ATOM 978 O LEU A 69 4.152 5.742 1.141 1.00 0.00 O ATOM 979 CB LEU A 69 2.001 3.807 0.927 1.00 0.00 C ATOM 980 CG LEU A 69 2.542 3.079 2.196 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.084 3.160 2.297 1.00 0.00 C ATOM 982 CD2 LEU A 69 1.909 3.647 3.479 1.00 0.00 C ATOM 0 H LEU A 69 2.148 5.817 -0.894 1.00 0.00 H new ATOM 0 HA LEU A 69 1.007 5.478 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.050 3.358 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.694 3.643 0.102 1.00 0.00 H new ATOM 0 HG LEU A 69 2.261 2.031 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.418 2.640 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.531 2.692 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.391 4.205 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.307 3.119 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.144 4.708 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.828 3.517 3.440 1.00 0.00 H new ATOM 994 N ALA A 70 2.888 6.788 2.685 1.00 0.00 N ATOM 995 CA ALA A 70 4.004 7.481 3.320 1.00 0.00 C ATOM 996 C ALA A 70 4.505 6.662 4.500 1.00 0.00 C ATOM 997 O ALA A 70 3.712 6.169 5.303 1.00 0.00 O ATOM 998 CB ALA A 70 3.551 8.851 3.797 1.00 0.00 C ATOM 0 H ALA A 70 1.980 6.984 3.106 1.00 0.00 H new ATOM 0 HA ALA A 70 4.812 7.604 2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.387 9.366 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.200 9.435 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.741 8.736 4.517 1.00 0.00 H new ATOM 1004 N ALA A 71 5.823 6.511 4.602 1.00 0.00 N ATOM 1005 CA ALA A 71 6.414 5.738 5.691 1.00 0.00 C ATOM 1006 C ALA A 71 7.829 6.212 5.978 1.00 0.00 C ATOM 1007 O ALA A 71 8.280 7.219 5.438 1.00 0.00 O ATOM 1008 CB ALA A 71 6.424 4.259 5.322 1.00 0.00 C ATOM 0 H ALA A 71 6.498 6.910 3.949 1.00 0.00 H new ATOM 0 HA ALA A 71 5.814 5.883 6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.865 3.684 6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.402 3.920 5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.011 4.114 4.415 1.00 0.00 H new ATOM 1014 N GLU A 72 8.523 5.472 6.837 1.00 0.00 N ATOM 1015 CA GLU A 72 9.894 5.814 7.211 1.00 0.00 C ATOM 1016 C GLU A 72 10.749 4.552 7.339 1.00 0.00 C ATOM 1017 O GLU A 72 10.730 3.893 8.376 1.00 0.00 O ATOM 1018 CB GLU A 72 9.876 6.562 8.559 1.00 0.00 C ATOM 1019 CG GLU A 72 9.499 8.037 8.362 1.00 0.00 C ATOM 1020 CD GLU A 72 9.710 8.790 9.679 1.00 0.00 C ATOM 1021 OE1 GLU A 72 10.857 9.017 10.031 1.00 0.00 O ATOM 1022 OE2 GLU A 72 8.723 9.123 10.315 1.00 0.00 O ATOM 0 H GLU A 72 8.160 4.632 7.288 1.00 0.00 H new ATOM 0 HA GLU A 72 10.325 6.447 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.163 6.087 9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.856 6.493 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.110 8.479 7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.460 8.120 8.044 1.00 0.00 H new ATOM 1029 N CYS A 73 11.472 4.206 6.267 1.00 0.00 N ATOM 1030 CA CYS A 73 12.326 3.008 6.259 1.00 0.00 C ATOM 1031 C CYS A 73 13.772 3.358 6.616 1.00 0.00 C ATOM 1032 O CYS A 73 14.277 4.430 6.278 1.00 0.00 O ATOM 1033 CB CYS A 73 12.256 2.329 4.881 1.00 0.00 C ATOM 1034 SG CYS A 73 10.823 1.217 4.813 1.00 0.00 S ATOM 0 H CYS A 73 11.484 4.736 5.395 1.00 0.00 H new ATOM 0 HA CYS A 73 11.958 2.315 7.016 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.180 3.083 4.098 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.172 1.768 4.695 1.00 0.00 H new ATOM 1039 N LYS A 74 14.415 2.430 7.321 1.00 0.00 N ATOM 1040 CA LYS A 74 15.796 2.603 7.764 1.00 0.00 C ATOM 1041 C LYS A 74 16.764 2.557 6.579 1.00 0.00 C ATOM 1042 O LYS A 74 16.653 1.699 5.704 1.00 0.00 O ATOM 1043 CB LYS A 74 16.135 1.491 8.799 1.00 0.00 C ATOM 1044 CG LYS A 74 16.762 2.081 10.072 1.00 0.00 C ATOM 1045 CD LYS A 74 16.881 0.980 11.131 1.00 0.00 C ATOM 1046 CE LYS A 74 17.622 1.507 12.369 1.00 0.00 C ATOM 1047 NZ LYS A 74 19.090 1.471 12.120 1.00 0.00 N ATOM 0 H LYS A 74 13.997 1.542 7.600 1.00 0.00 H new ATOM 0 HA LYS A 74 15.904 3.582 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.228 0.945 9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.823 0.773 8.352 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.745 2.496 9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.149 2.900 10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.888 0.630 11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.414 0.124 10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 74 17.304 2.526 12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.375 0.900 13.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.559 0.941 12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.276 1.005 11.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.462 2.442 12.094 1.00 0.00 H new ATOM 1061 N THR A 75 17.706 3.498 6.561 1.00 0.00 N ATOM 1062 CA THR A 75 18.690 3.571 5.483 1.00 0.00 C ATOM 1063 C THR A 75 19.836 2.589 5.724 1.00 0.00 C ATOM 1064 O THR A 75 19.966 2.020 6.808 1.00 0.00 O ATOM 1065 CB THR A 75 19.268 4.998 5.346 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.604 5.492 6.630 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.230 5.923 4.699 1.00 0.00 C ATOM 0 H THR A 75 17.809 4.217 7.277 1.00 0.00 H new ATOM 0 HA THR A 75 18.174 3.307 4.560 1.00 0.00 H new ATOM 0 HB THR A 75 20.159 4.966 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 75 18.996 6.222 6.869 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.645 6.927 4.606 1.00 0.00 H new ATOM 0 HG22 THR A 75 17.971 5.544 3.710 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.335 5.957 5.320 1.00 0.00 H new ATOM 1075 N ALA A 76 20.660 2.393 4.699 1.00 0.00 N ATOM 1076 CA ALA A 76 21.790 1.476 4.794 1.00 0.00 C ATOM 1077 C ALA A 76 22.693 1.844 5.967 1.00 0.00 C ATOM 1078 O ALA A 76 23.340 0.979 6.559 1.00 0.00 O ATOM 1079 CB ALA A 76 22.587 1.511 3.500 1.00 0.00 C ATOM 0 H ALA A 76 20.566 2.856 3.795 1.00 0.00 H new ATOM 0 HA ALA A 76 21.405 0.470 4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.431 0.825 3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.947 1.211 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 76 22.956 2.522 3.327 1.00 0.00 H new ATOM 1085 N ALA A 77 22.738 3.132 6.295 1.00 0.00 N ATOM 1086 CA ALA A 77 23.571 3.610 7.398 1.00 0.00 C ATOM 1087 C ALA A 77 22.853 3.436 8.732 1.00 0.00 C ATOM 1088 O ALA A 77 23.476 3.486 9.793 1.00 0.00 O ATOM 1089 CB ALA A 77 23.904 5.078 7.186 1.00 0.00 C ATOM 0 H ALA A 77 22.211 3.862 5.816 1.00 0.00 H new ATOM 0 HA ALA A 77 24.489 3.023 7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.525 5.433 8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.444 5.197 6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 77 22.982 5.659 7.150 1.00 0.00 H new ATOM 1095 N GLY A 78 21.537 3.232 8.675 1.00 0.00 N ATOM 1096 CA GLY A 78 20.736 3.056 9.880 1.00 0.00 C ATOM 1097 C GLY A 78 19.980 4.324 10.240 1.00 0.00 C ATOM 1098 O GLY A 78 19.799 4.637 11.417 1.00 0.00 O ATOM 0 H GLY A 78 21.006 3.185 7.806 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.029 2.240 9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.383 2.770 10.709 1.00 0.00 H new ATOM 1102 N GLN A 79 19.534 5.061 9.215 1.00 0.00 N ATOM 1103 CA GLN A 79 18.790 6.316 9.415 1.00 0.00 C ATOM 1104 C GLN A 79 17.437 6.243 8.699 1.00 0.00 C ATOM 1105 O GLN A 79 17.361 5.926 7.513 1.00 0.00 O ATOM 1106 CB GLN A 79 19.633 7.505 8.868 1.00 0.00 C ATOM 1107 CG GLN A 79 20.415 8.222 10.003 1.00 0.00 C ATOM 1108 CD GLN A 79 19.571 9.360 10.593 1.00 0.00 C ATOM 1109 OE1 GLN A 79 18.949 10.107 9.864 1.00 0.00 O ATOM 1110 NE2 GLN A 79 19.531 9.527 11.886 1.00 0.00 N ATOM 0 H GLN A 79 19.675 4.811 8.236 1.00 0.00 H new ATOM 0 HA GLN A 79 18.607 6.468 10.479 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.334 7.140 8.117 1.00 0.00 H new ATOM 0 HB3 GLN A 79 18.976 8.219 8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.672 7.507 10.785 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.352 8.619 9.614 1.00 0.00 H new ATOM 0 HE21 GLN A 79 20.053 8.900 12.498 1.00 0.00 H new ATOM 0 HE22 GLN A 79 18.977 10.285 12.285 1.00 0.00 H new ATOM 1119 N PHE A 80 16.379 6.543 9.441 1.00 0.00 N ATOM 1120 CA PHE A 80 15.024 6.517 8.900 1.00 0.00 C ATOM 1121 C PHE A 80 14.739 7.768 8.064 1.00 0.00 C ATOM 1122 O PHE A 80 14.847 8.891 8.553 1.00 0.00 O ATOM 1123 CB PHE A 80 14.022 6.431 10.059 1.00 0.00 C ATOM 1124 CG PHE A 80 14.007 5.033 10.653 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.380 3.981 9.956 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.591 4.787 11.917 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.329 2.688 10.520 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.552 3.489 12.475 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.921 2.439 11.776 1.00 0.00 C ATOM 0 H PHE A 80 16.433 6.809 10.424 1.00 0.00 H new ATOM 0 HA PHE A 80 14.924 5.647 8.252 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.286 7.156 10.829 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.025 6.692 9.704 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.937 4.164 8.988 1.00 0.00 H new ATOM 0 HD2 PHE A 80 15.067 5.592 12.457 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.836 1.888 9.989 1.00 0.00 H new ATOM 0 HE2 PHE A 80 15.006 3.301 13.437 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.891 1.447 12.201 1.00 0.00 H new ATOM 1139 N VAL A 81 14.362 7.556 6.798 1.00 0.00 N ATOM 1140 CA VAL A 81 14.039 8.658 5.877 1.00 0.00 C ATOM 1141 C VAL A 81 12.622 8.480 5.354 1.00 0.00 C ATOM 1142 O VAL A 81 12.150 7.350 5.224 1.00 0.00 O ATOM 1143 CB VAL A 81 14.997 8.665 4.673 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.424 8.923 5.156 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.934 7.308 3.965 1.00 0.00 C ATOM 0 H VAL A 81 14.272 6.628 6.384 1.00 0.00 H new ATOM 0 HA VAL A 81 14.137 9.596 6.423 1.00 0.00 H new ATOM 0 HB VAL A 81 14.703 9.452 3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.102 8.928 4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.469 9.888 5.660 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.721 8.137 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.612 7.311 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.228 6.521 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.917 7.125 3.619 1.00 0.00 H new ATOM 1155 N SER A 82 11.926 9.578 5.059 1.00 0.00 N ATOM 1156 CA SER A 82 10.562 9.483 4.564 1.00 0.00 C ATOM 1157 C SER A 82 10.519 8.878 3.172 1.00 0.00 C ATOM 1158 O SER A 82 11.115 9.410 2.235 1.00 0.00 O ATOM 1159 CB SER A 82 9.945 10.879 4.510 1.00 0.00 C ATOM 1160 OG SER A 82 10.693 11.682 3.604 1.00 0.00 O ATOM 0 H SER A 82 12.282 10.529 5.154 1.00 0.00 H new ATOM 0 HA SER A 82 10.002 8.839 5.242 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.905 10.819 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.947 11.330 5.502 1.00 0.00 H new ATOM 0 HG SER A 82 11.033 11.122 2.875 1.00 0.00 H new ATOM 1166 N THR A 83 9.798 7.768 3.038 1.00 0.00 N ATOM 1167 CA THR A 83 9.657 7.091 1.752 1.00 0.00 C ATOM 1168 C THR A 83 8.205 7.119 1.312 1.00 0.00 C ATOM 1169 O THR A 83 7.292 7.105 2.139 1.00 0.00 O ATOM 1170 CB THR A 83 10.100 5.627 1.855 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.117 4.889 2.570 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.440 5.536 2.590 1.00 0.00 C ATOM 0 H THR A 83 9.301 7.317 3.806 1.00 0.00 H new ATOM 0 HA THR A 83 10.285 7.611 1.029 1.00 0.00 H new ATOM 0 HB THR A 83 10.215 5.215 0.853 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.546 4.148 3.046 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.747 4.492 2.659 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.194 6.101 2.043 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.334 5.950 3.593 1.00 0.00 H new ATOM 1180 N LYS A 84 7.994 7.160 0.001 1.00 0.00 N ATOM 1181 CA LYS A 84 6.645 7.195 -0.552 1.00 0.00 C ATOM 1182 C LYS A 84 6.555 6.324 -1.792 1.00 0.00 C ATOM 1183 O LYS A 84 7.540 6.131 -2.505 1.00 0.00 O ATOM 1184 CB LYS A 84 6.263 8.641 -0.900 1.00 0.00 C ATOM 1185 CG LYS A 84 7.196 9.206 -2.012 1.00 0.00 C ATOM 1186 CD LYS A 84 6.493 9.175 -3.380 1.00 0.00 C ATOM 1187 CE LYS A 84 7.406 9.784 -4.451 1.00 0.00 C ATOM 1188 NZ LYS A 84 6.590 10.146 -5.644 1.00 0.00 N ATOM 0 H LYS A 84 8.738 7.170 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 84 5.951 6.808 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.226 8.678 -1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.332 9.265 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.483 10.229 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.114 8.620 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.241 8.148 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.556 9.730 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.908 10.668 -4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.184 9.073 -4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.206 10.560 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.130 9.293 -6.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.864 10.838 -5.371 1.00 0.00 H new ATOM 1202 N ILE A 85 5.362 5.806 -2.047 1.00 0.00 N ATOM 1203 CA ILE A 85 5.132 4.960 -3.209 1.00 0.00 C ATOM 1204 C ILE A 85 3.649 4.988 -3.556 1.00 0.00 C ATOM 1205 O ILE A 85 2.795 4.962 -2.670 1.00 0.00 O ATOM 1206 CB ILE A 85 5.620 3.517 -2.939 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.615 2.698 -4.247 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.729 2.844 -1.894 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.458 1.405 -4.092 1.00 0.00 C ATOM 0 H ILE A 85 4.538 5.957 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 85 5.701 5.339 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 85 6.640 3.560 -2.556 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.591 2.439 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.015 3.303 -5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.083 1.829 -1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.766 3.412 -0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.702 2.810 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.440 0.844 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.487 1.669 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.041 0.792 -3.293 1.00 0.00 H new ATOM 1221 N ASN A 86 3.346 5.061 -4.848 1.00 0.00 N ATOM 1222 CA ASN A 86 1.958 5.123 -5.300 1.00 0.00 C ATOM 1223 C ASN A 86 1.319 3.735 -5.253 1.00 0.00 C ATOM 1224 O ASN A 86 1.684 2.848 -6.019 1.00 0.00 O ATOM 1225 CB ASN A 86 1.922 5.714 -6.732 1.00 0.00 C ATOM 1226 CG ASN A 86 0.709 6.631 -6.915 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.473 6.203 -6.575 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.843 7.749 -7.372 1.00 0.00 N flip ATOM 0 H ASN A 86 4.037 5.079 -5.598 1.00 0.00 H new ATOM 0 HA ASN A 86 1.381 5.768 -4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.838 6.274 -6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.885 4.906 -7.462 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.769 8.084 -7.638 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.029 8.353 -7.489 1.00 0.00 H new ATOM 1235 N LEU A 87 0.340 3.580 -4.365 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.384 2.323 -4.209 1.00 0.00 C ATOM 1237 C LEU A 87 -1.134 1.963 -5.487 1.00 0.00 C ATOM 1238 O LEU A 87 -1.332 0.790 -5.794 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.384 2.475 -3.061 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.645 2.712 -1.730 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.670 3.047 -0.615 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.181 1.455 -1.341 1.00 0.00 C ATOM 0 H LEU A 87 0.028 4.320 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 87 0.329 1.527 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.056 3.309 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.001 1.579 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 87 0.040 3.552 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.144 3.214 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.222 3.947 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.366 2.216 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.698 1.637 -0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.487 0.601 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.912 1.244 -2.121 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.533 2.984 -6.231 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.259 2.776 -7.480 1.00 0.00 C ATOM 1256 C ASP A 88 -1.337 2.184 -8.545 1.00 0.00 C ATOM 1257 O ASP A 88 -1.803 1.676 -9.565 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.839 4.120 -7.969 1.00 0.00 C ATOM 1259 CG ASP A 88 -4.155 4.445 -7.241 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -4.766 3.533 -6.705 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -4.529 5.606 -7.233 1.00 0.00 O ATOM 0 H ASP A 88 -1.368 3.962 -5.995 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.073 2.073 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.116 4.917 -7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.014 4.076 -9.044 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.035 2.258 -8.307 1.00 0.00 N ATOM 1267 CA ASP A 89 0.932 1.733 -9.263 1.00 0.00 C ATOM 1268 C ASP A 89 0.663 0.262 -9.566 1.00 0.00 C ATOM 1269 O ASP A 89 0.892 -0.198 -10.684 1.00 0.00 O ATOM 1270 CB ASP A 89 2.358 1.888 -8.714 1.00 0.00 C ATOM 1271 CG ASP A 89 3.374 1.749 -9.850 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.277 2.508 -10.800 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.234 0.890 -9.748 1.00 0.00 O ATOM 0 H ASP A 89 0.374 2.672 -7.469 1.00 0.00 H new ATOM 0 HA ASP A 89 0.831 2.303 -10.187 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.468 2.860 -8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.547 1.132 -7.951 1.00 0.00 H new ATOM 1278 N HIS A 90 0.194 -0.482 -8.561 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.077 -1.914 -8.733 1.00 0.00 C ATOM 1280 C HIS A 90 -1.356 -2.339 -8.012 1.00 0.00 C ATOM 1281 O HIS A 90 -2.142 -3.118 -8.547 1.00 0.00 O ATOM 1282 CB HIS A 90 1.097 -2.722 -8.178 1.00 0.00 C ATOM 1283 CG HIS A 90 2.327 -2.499 -9.020 1.00 0.00 C ATOM 1284 ND1 HIS A 90 3.600 -2.487 -8.471 1.00 0.00 N ATOM 1285 CD2 HIS A 90 2.499 -2.288 -10.369 1.00 0.00 C ATOM 1286 CE1 HIS A 90 4.473 -2.274 -9.472 1.00 0.00 C ATOM 1287 NE2 HIS A 90 3.855 -2.145 -10.647 1.00 0.00 N ATOM 0 H HIS A 90 -0.005 -0.122 -7.628 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.206 -2.104 -9.799 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.295 -2.428 -7.147 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.844 -3.782 -8.164 1.00 0.00 H new ATOM 0 HD1 HIS A 90 3.833 -2.616 -7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.704 -2.241 -11.099 1.00 0.00 H new ATOM 0 HE1 HIS A 90 5.543 -2.215 -9.340 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.559 -1.853 -6.792 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.750 -2.236 -6.037 1.00 0.00 C ATOM 1297 C ILE A 91 -4.006 -1.952 -6.854 1.00 0.00 C ATOM 1298 O ILE A 91 -4.263 -0.812 -7.238 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.853 -1.490 -4.687 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.508 -1.549 -3.925 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -3.973 -2.106 -3.836 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.266 -2.931 -3.292 1.00 0.00 C ATOM 0 H ILE A 91 -0.931 -1.208 -6.312 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.664 -3.303 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.088 -0.444 -4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.693 -1.316 -4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.498 -0.786 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.041 -1.576 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.921 -2.022 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.753 -3.157 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.311 -2.928 -2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.067 -3.154 -2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.249 -3.691 -4.073 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.787 -3.005 -7.120 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.028 -2.891 -7.902 1.00 0.00 C ATOM 1316 C ALA A 92 -7.229 -3.286 -7.046 1.00 0.00 C ATOM 1317 O ALA A 92 -7.080 -3.721 -5.904 1.00 0.00 O ATOM 1318 CB ALA A 92 -5.950 -3.810 -9.124 1.00 0.00 C ATOM 0 H ALA A 92 -4.581 -3.953 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.147 -1.857 -8.227 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.870 -3.725 -9.703 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.103 -3.519 -9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.822 -4.842 -8.796 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.420 -3.152 -7.628 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.669 -3.512 -6.952 1.00 0.00 C ATOM 1326 C ASN A 93 -10.381 -4.589 -7.760 1.00 0.00 C ATOM 1327 O ASN A 93 -10.790 -4.341 -8.893 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.575 -2.286 -6.845 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.757 -2.592 -5.924 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.588 -3.171 -4.869 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -12.956 -2.224 -6.283 1.00 0.00 N ATOM 0 H ASN A 93 -8.548 -2.794 -8.574 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.443 -3.882 -5.952 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.010 -1.438 -6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.937 -2.003 -7.833 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.753 -2.422 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.097 -1.738 -7.169 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.545 -5.777 -7.174 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.224 -6.888 -7.850 1.00 0.00 C ATOM 1340 C ILE A 94 -12.444 -7.317 -7.043 1.00 0.00 C ATOM 1341 O ILE A 94 -12.314 -7.887 -5.960 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.289 -8.113 -7.975 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.942 -7.695 -8.611 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.968 -9.232 -8.804 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -9.145 -7.057 -9.994 1.00 0.00 C ATOM 0 H ILE A 94 -10.217 -5.996 -6.233 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.516 -6.543 -8.842 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.090 -8.505 -6.978 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.432 -6.989 -7.955 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.296 -8.568 -8.703 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.296 -10.086 -8.882 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.891 -9.540 -8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.196 -8.858 -9.802 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.178 -6.776 -10.411 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.631 -7.773 -10.657 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.770 -6.169 -9.897 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.624 -7.051 -7.580 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.857 -7.426 -6.903 1.00 0.00 C ATOM 1359 C ASP A 95 -14.977 -6.705 -5.556 1.00 0.00 C ATOM 1360 O ASP A 95 -15.596 -7.213 -4.621 1.00 0.00 O ATOM 1361 CB ASP A 95 -14.886 -8.955 -6.704 1.00 0.00 C ATOM 1362 CG ASP A 95 -16.333 -9.461 -6.651 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -16.919 -9.626 -7.710 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -16.826 -9.676 -5.557 1.00 0.00 O ATOM 0 H ASP A 95 -13.755 -6.581 -8.476 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.706 -7.128 -7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.353 -9.444 -7.519 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.368 -9.218 -5.781 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.388 -5.512 -5.475 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.436 -4.710 -4.257 1.00 0.00 C ATOM 1371 C GLY A 96 -13.342 -5.060 -3.268 1.00 0.00 C ATOM 1372 O GLY A 96 -13.325 -4.544 -2.151 1.00 0.00 O ATOM 0 H GLY A 96 -13.871 -5.081 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.355 -3.655 -4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.406 -4.845 -3.779 1.00 0.00 H new ATOM 1376 N THR A 97 -12.427 -5.940 -3.671 1.00 0.00 N ATOM 1377 CA THR A 97 -11.320 -6.357 -2.800 1.00 0.00 C ATOM 1378 C THR A 97 -10.001 -5.807 -3.326 1.00 0.00 C ATOM 1379 O THR A 97 -9.794 -5.729 -4.533 1.00 0.00 O ATOM 1380 CB THR A 97 -11.220 -7.891 -2.743 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.831 -8.385 -4.015 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.581 -8.474 -2.358 1.00 0.00 C ATOM 0 H THR A 97 -12.427 -6.379 -4.592 1.00 0.00 H new ATOM 0 HA THR A 97 -11.517 -5.967 -1.801 1.00 0.00 H new ATOM 0 HB THR A 97 -10.478 -8.183 -2.000 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.628 -8.532 -4.566 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.513 -9.561 -2.317 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.877 -8.092 -1.381 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.324 -8.185 -3.101 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.104 -5.437 -2.417 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.803 -4.903 -2.814 1.00 0.00 C ATOM 1392 C LEU A 98 -6.850 -6.036 -3.171 1.00 0.00 C ATOM 1393 O LEU A 98 -6.588 -6.915 -2.351 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.191 -4.095 -1.664 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.192 -3.051 -1.146 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.615 -2.371 0.104 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.460 -1.991 -2.231 1.00 0.00 C ATOM 0 H LEU A 98 -9.251 -5.496 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.952 -4.261 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.904 -4.765 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.282 -3.598 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.130 -3.547 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.323 -1.629 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.437 -3.120 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.675 -1.881 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.171 -1.256 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.526 -1.493 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.873 -2.473 -3.117 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.316 -6.001 -4.392 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.365 -7.023 -4.846 1.00 0.00 C ATOM 1411 C LYS A 99 -4.129 -6.356 -5.421 1.00 0.00 C ATOM 1412 O LYS A 99 -4.078 -5.139 -5.557 1.00 0.00 O ATOM 1413 CB LYS A 99 -6.001 -7.946 -5.908 1.00 0.00 C ATOM 1414 CG LYS A 99 -7.492 -8.180 -5.615 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.713 -8.877 -4.230 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.401 -10.241 -4.398 1.00 0.00 C ATOM 1417 NZ LYS A 99 -7.424 -11.220 -4.952 1.00 0.00 N ATOM 0 H LYS A 99 -6.523 -5.281 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.087 -7.633 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.887 -7.501 -6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.476 -8.901 -5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.019 -7.226 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.925 -8.795 -6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.754 -9.010 -3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.320 -8.237 -3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.779 -10.591 -3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.259 -10.149 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.886 -12.144 -5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.084 -10.886 -5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.619 -11.314 -4.300 1.00 0.00 H new ATOM 1431 N TYR A 100 -3.132 -7.172 -5.742 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.866 -6.686 -6.292 1.00 0.00 C ATOM 1433 C TYR A 100 -1.744 -7.069 -7.765 1.00 0.00 C ATOM 1434 O TYR A 100 -1.971 -8.220 -8.136 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.726 -7.312 -5.490 1.00 0.00 C ATOM 1436 CG TYR A 100 0.614 -6.886 -6.050 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.038 -5.547 -5.916 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.452 -7.829 -6.689 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.297 -5.153 -6.418 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.708 -7.432 -7.194 1.00 0.00 C ATOM 1441 CZ TYR A 100 3.131 -6.094 -7.058 1.00 0.00 C ATOM 1442 OH TYR A 100 4.430 -5.753 -7.372 1.00 0.00 O ATOM 0 H TYR A 100 -3.175 -8.185 -5.630 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.823 -5.599 -6.222 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.802 -7.012 -4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.809 -8.399 -5.517 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.400 -4.824 -5.430 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.130 -8.855 -6.791 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.623 -4.129 -6.312 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.345 -8.153 -7.685 1.00 0.00 H new ATOM 0 HH TYR A 100 4.871 -6.512 -7.808 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.373 -6.095 -8.602 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.208 -6.325 -10.046 1.00 0.00 C ATOM 1454 C GLU A 101 0.214 -5.971 -10.469 1.00 0.00 C ATOM 1455 O GLU A 101 0.498 -4.789 -10.575 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.202 -5.462 -10.838 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.638 -5.985 -10.643 1.00 0.00 C ATOM 1458 CD GLU A 101 -3.894 -7.180 -11.567 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -4.092 -6.954 -12.751 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -3.892 -8.297 -11.077 1.00 0.00 O ATOM 1461 OXT GLU A 101 1.032 -6.874 -10.526 1.00 0.00 O ATOM 0 H GLU A 101 -1.180 -5.138 -8.307 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.400 -7.377 -10.255 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.137 -4.425 -10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.943 -5.476 -11.897 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.788 -6.280 -9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.354 -5.191 -10.855 1.00 0.00 H new TER 1468 GLU A 101