USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 835 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 Single : A 1 ALA N :NH3+ -115:sc= 0.13 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 78:sc= 0.217 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.42) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 100:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc=-0.00925 X(o=-0.0093,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc=-0.00758 K(o=-0.0076,f=-0.91) USER MOD Single : A 62 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-6.7!) USER MOD Single : A 63 CYS SG : rot 180:sc= -1.72 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 70 SER OG : rot 180:sc= 0.127 USER MOD Single : A 71 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.6) USER MOD Single : A 72 ASN : amide:sc=-0.00102 X(o=-0.001,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 142:sc= 1.25 (180deg=0.337) USER MOD Single : A 105 ASN : amide:sc= -0.0314 X(o=-0.031,f=-0.083) USER MOD Single : A 106 LYS NZ :NH3+ 168:sc= -0.886 (180deg=-1.22) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.211 -9.156 -4.650 1.00 0.00 N ATOM 2 CA ALA A 1 12.101 -7.860 -5.334 1.00 0.00 C ATOM 3 C ALA A 1 10.631 -7.490 -5.528 1.00 0.00 C ATOM 4 O ALA A 1 9.738 -8.280 -5.228 1.00 0.00 O ATOM 5 CB ALA A 1 12.812 -7.897 -6.695 1.00 0.00 C ATOM 0 H1 ALA A 1 12.651 -9.020 -3.717 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.263 -9.566 -4.529 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.797 -9.800 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 1 12.583 -7.106 -4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.717 -6.926 -7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.867 -8.127 -6.548 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.357 -8.664 -7.322 1.00 0.00 H new ATOM 11 N LEU A 2 10.372 -6.291 -6.050 1.00 0.00 N ATOM 12 CA LEU A 2 9.043 -5.769 -6.327 1.00 0.00 C ATOM 13 C LEU A 2 8.343 -6.667 -7.341 1.00 0.00 C ATOM 14 O LEU A 2 8.633 -6.588 -8.533 1.00 0.00 O ATOM 15 CB LEU A 2 9.153 -4.300 -6.773 1.00 0.00 C ATOM 16 CG LEU A 2 8.995 -3.401 -5.538 1.00 0.00 C ATOM 17 CD1 LEU A 2 9.585 -2.011 -5.725 1.00 0.00 C ATOM 18 CD2 LEU A 2 7.525 -3.235 -5.156 1.00 0.00 C ATOM 0 H LEU A 2 11.113 -5.636 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 2 8.425 -5.777 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.116 -4.121 -7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.384 -4.070 -7.510 1.00 0.00 H new ATOM 0 HG LEU A 2 9.546 -3.911 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.439 -1.428 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 2 10.651 -2.094 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.088 -1.514 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.447 -2.593 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.982 -2.782 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.095 -4.211 -4.931 1.00 0.00 H new ATOM 30 N THR A 3 7.399 -7.474 -6.856 1.00 0.00 N ATOM 31 CA THR A 3 6.605 -8.439 -7.611 1.00 0.00 C ATOM 32 C THR A 3 5.109 -8.150 -7.407 1.00 0.00 C ATOM 33 O THR A 3 4.721 -7.532 -6.418 1.00 0.00 O ATOM 34 CB THR A 3 7.050 -9.825 -7.110 1.00 0.00 C ATOM 35 OG1 THR A 3 8.417 -10.010 -7.440 1.00 0.00 O ATOM 36 CG2 THR A 3 6.276 -11.016 -7.683 1.00 0.00 C ATOM 0 H THR A 3 7.155 -7.470 -5.866 1.00 0.00 H new ATOM 0 HA THR A 3 6.760 -8.382 -8.688 1.00 0.00 H new ATOM 0 HB THR A 3 6.855 -9.816 -6.038 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.976 -9.508 -6.811 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.670 -11.942 -7.264 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.221 -10.922 -7.426 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.385 -11.033 -8.767 1.00 0.00 H new ATOM 44 N THR A 4 4.266 -8.597 -8.334 1.00 0.00 N ATOM 45 CA THR A 4 2.813 -8.424 -8.362 1.00 0.00 C ATOM 46 C THR A 4 2.122 -9.647 -7.719 1.00 0.00 C ATOM 47 O THR A 4 2.579 -10.763 -7.998 1.00 0.00 O ATOM 48 CB THR A 4 2.450 -8.287 -9.866 1.00 0.00 C ATOM 49 OG1 THR A 4 3.444 -7.604 -10.617 1.00 0.00 O ATOM 50 CG2 THR A 4 1.146 -7.569 -10.146 1.00 0.00 C ATOM 0 H THR A 4 4.600 -9.125 -9.140 1.00 0.00 H new ATOM 0 HA THR A 4 2.482 -7.553 -7.797 1.00 0.00 H new ATOM 0 HB THR A 4 2.363 -9.329 -10.173 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.165 -7.548 -11.555 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.980 -7.523 -11.222 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.325 -8.109 -9.675 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.194 -6.557 -9.743 1.00 0.00 H new ATOM 58 N ILE A 5 1.077 -9.485 -6.882 1.00 0.00 N ATOM 59 CA ILE A 5 0.338 -10.600 -6.238 1.00 0.00 C ATOM 60 C ILE A 5 -1.185 -10.436 -6.364 1.00 0.00 C ATOM 61 O ILE A 5 -1.656 -9.324 -6.601 1.00 0.00 O ATOM 62 CB ILE A 5 0.747 -10.880 -4.766 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.141 -9.938 -3.703 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.275 -10.979 -4.598 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.401 -8.450 -3.881 1.00 0.00 C ATOM 0 H ILE A 5 0.715 -8.566 -6.628 1.00 0.00 H new ATOM 0 HA ILE A 5 0.638 -11.484 -6.801 1.00 0.00 H new ATOM 0 HB ILE A 5 0.297 -11.852 -4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.937 -10.095 -3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.523 -10.236 -2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.514 -11.175 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.657 -11.791 -5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.736 -10.041 -4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.076 -7.898 -3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.475 -8.264 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.009 -8.121 -4.836 1.00 0.00 H new ATOM 77 N SER A 6 -1.973 -11.508 -6.193 1.00 0.00 N ATOM 78 CA SER A 6 -3.433 -11.424 -6.295 1.00 0.00 C ATOM 79 C SER A 6 -3.988 -10.376 -5.315 1.00 0.00 C ATOM 80 O SER A 6 -3.403 -10.173 -4.251 1.00 0.00 O ATOM 81 CB SER A 6 -4.064 -12.800 -6.047 1.00 0.00 C ATOM 82 OG SER A 6 -3.498 -13.789 -6.884 1.00 0.00 O ATOM 0 H SER A 6 -1.621 -12.442 -5.984 1.00 0.00 H new ATOM 0 HA SER A 6 -3.693 -11.106 -7.305 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.925 -13.082 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.138 -12.745 -6.222 1.00 0.00 H new ATOM 0 HG SER A 6 -3.920 -14.654 -6.700 1.00 0.00 H new ATOM 88 N PRO A 7 -5.146 -9.749 -5.591 1.00 0.00 N ATOM 89 CA PRO A 7 -5.692 -8.732 -4.704 1.00 0.00 C ATOM 90 C PRO A 7 -5.923 -9.253 -3.284 1.00 0.00 C ATOM 91 O PRO A 7 -5.472 -8.622 -2.326 1.00 0.00 O ATOM 92 CB PRO A 7 -6.938 -8.180 -5.401 1.00 0.00 C ATOM 93 CG PRO A 7 -7.322 -9.271 -6.400 1.00 0.00 C ATOM 94 CD PRO A 7 -5.973 -9.874 -6.780 1.00 0.00 C ATOM 0 HA PRO A 7 -4.985 -7.919 -4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.742 -7.991 -4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.728 -7.236 -5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.985 -10.012 -5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.840 -8.861 -7.267 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.079 -10.917 -7.077 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.530 -9.345 -7.624 1.00 0.00 H new ATOM 102 N HIS A 8 -6.589 -10.397 -3.116 1.00 0.00 N ATOM 103 CA HIS A 8 -6.821 -10.922 -1.778 1.00 0.00 C ATOM 104 C HIS A 8 -5.519 -11.337 -1.085 1.00 0.00 C ATOM 105 O HIS A 8 -5.425 -11.234 0.137 1.00 0.00 O ATOM 106 CB HIS A 8 -7.785 -12.105 -1.846 1.00 0.00 C ATOM 107 CG HIS A 8 -8.238 -12.525 -0.472 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.263 -11.962 0.254 1.00 0.00 N ATOM 109 CD2 HIS A 8 -7.592 -13.412 0.345 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.217 -12.481 1.493 1.00 0.00 C ATOM 111 NE2 HIS A 8 -8.231 -13.389 1.589 1.00 0.00 N ATOM 0 H HIS A 8 -6.968 -10.964 -3.874 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.262 -10.123 -1.182 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.652 -11.836 -2.450 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.299 -12.944 -2.343 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.741 -14.021 0.077 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.881 -12.206 2.300 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -7.995 -13.950 2.407 1.00 0.00 H new ATOM 119 N ASP A 9 -4.524 -11.791 -1.853 1.00 0.00 N ATOM 120 CA ASP A 9 -3.232 -12.239 -1.317 1.00 0.00 C ATOM 121 C ASP A 9 -2.601 -11.152 -0.451 1.00 0.00 C ATOM 122 O ASP A 9 -2.007 -11.441 0.577 1.00 0.00 O ATOM 123 CB ASP A 9 -2.259 -12.656 -2.432 1.00 0.00 C ATOM 124 CG ASP A 9 -1.141 -13.559 -1.897 1.00 0.00 C ATOM 125 OD1 ASP A 9 0.054 -13.244 -2.118 1.00 0.00 O ATOM 126 OD2 ASP A 9 -1.497 -14.614 -1.330 1.00 0.00 O ATOM 0 H ASP A 9 -4.591 -11.859 -2.869 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.428 -13.117 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.806 -13.179 -3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.823 -11.766 -2.887 1.00 0.00 H new ATOM 131 N ALA A 10 -2.761 -9.879 -0.823 1.00 0.00 N ATOM 132 CA ALA A 10 -2.209 -8.786 -0.027 1.00 0.00 C ATOM 133 C ALA A 10 -2.760 -8.837 1.403 1.00 0.00 C ATOM 134 O ALA A 10 -1.973 -8.798 2.348 1.00 0.00 O ATOM 135 CB ALA A 10 -2.506 -7.440 -0.683 1.00 0.00 C ATOM 0 H ALA A 10 -3.263 -9.585 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.126 -8.902 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.087 -6.638 -0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.059 -7.413 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.585 -7.306 -0.766 1.00 0.00 H new ATOM 141 N GLN A 11 -4.091 -8.887 1.563 1.00 0.00 N ATOM 142 CA GLN A 11 -4.774 -8.946 2.853 1.00 0.00 C ATOM 143 C GLN A 11 -4.236 -10.133 3.643 1.00 0.00 C ATOM 144 O GLN A 11 -3.836 -9.989 4.794 1.00 0.00 O ATOM 145 CB GLN A 11 -6.284 -9.053 2.604 1.00 0.00 C ATOM 146 CG GLN A 11 -7.149 -8.427 3.702 1.00 0.00 C ATOM 147 CD GLN A 11 -7.453 -9.336 4.891 1.00 0.00 C ATOM 148 OE1 GLN A 11 -6.582 -9.696 5.675 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.708 -9.688 5.085 1.00 0.00 N ATOM 0 H GLN A 11 -4.735 -8.887 0.772 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.592 -8.046 3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.519 -8.572 1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.550 -10.105 2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.649 -7.531 4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.092 -8.107 3.260 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.429 -9.386 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.958 -10.262 5.890 1.00 0.00 H new ATOM 158 N GLU A 12 -4.207 -11.295 3.000 1.00 0.00 N ATOM 159 CA GLU A 12 -3.725 -12.547 3.549 1.00 0.00 C ATOM 160 C GLU A 12 -2.279 -12.407 4.021 1.00 0.00 C ATOM 161 O GLU A 12 -1.921 -12.934 5.070 1.00 0.00 O ATOM 162 CB GLU A 12 -3.881 -13.575 2.428 1.00 0.00 C ATOM 163 CG GLU A 12 -3.561 -15.007 2.834 1.00 0.00 C ATOM 164 CD GLU A 12 -4.390 -15.574 3.989 1.00 0.00 C ATOM 165 OE1 GLU A 12 -5.505 -15.078 4.278 1.00 0.00 O ATOM 166 OE2 GLU A 12 -3.928 -16.584 4.560 1.00 0.00 O ATOM 0 H GLU A 12 -4.535 -11.389 2.039 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.287 -12.858 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.905 -13.536 2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.231 -13.292 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.697 -15.650 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.507 -15.060 3.108 1.00 0.00 H new ATOM 173 N LEU A 13 -1.434 -11.677 3.296 1.00 0.00 N ATOM 174 CA LEU A 13 -0.041 -11.512 3.692 1.00 0.00 C ATOM 175 C LEU A 13 0.007 -10.666 4.949 1.00 0.00 C ATOM 176 O LEU A 13 0.737 -11.016 5.871 1.00 0.00 O ATOM 177 CB LEU A 13 0.799 -10.870 2.585 1.00 0.00 C ATOM 178 CG LEU A 13 1.080 -11.809 1.398 1.00 0.00 C ATOM 179 CD1 LEU A 13 1.466 -10.969 0.175 1.00 0.00 C ATOM 180 CD2 LEU A 13 2.199 -12.802 1.734 1.00 0.00 C ATOM 0 H LEU A 13 -1.690 -11.193 2.435 1.00 0.00 H new ATOM 0 HA LEU A 13 0.387 -12.497 3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.284 -9.981 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.748 -10.538 3.007 1.00 0.00 H new ATOM 0 HG LEU A 13 0.180 -12.384 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.667 -11.628 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.647 -10.295 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.359 -10.386 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.377 -13.453 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.112 -12.255 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.905 -13.405 2.593 1.00 0.00 H new ATOM 192 N ILE A 14 -0.741 -9.559 4.995 1.00 0.00 N ATOM 193 CA ILE A 14 -0.804 -8.651 6.141 1.00 0.00 C ATOM 194 C ILE A 14 -1.312 -9.443 7.352 1.00 0.00 C ATOM 195 O ILE A 14 -0.746 -9.346 8.442 1.00 0.00 O ATOM 196 CB ILE A 14 -1.665 -7.414 5.788 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.072 -6.595 4.619 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.806 -6.451 6.971 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.159 -5.987 3.725 1.00 0.00 C ATOM 0 H ILE A 14 -1.332 -9.264 4.218 1.00 0.00 H new ATOM 0 HA ILE A 14 0.179 -8.258 6.399 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.635 -7.825 5.509 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.445 -5.798 5.018 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.428 -7.237 4.018 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.418 -5.599 6.676 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.281 -6.967 7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.819 -6.101 7.275 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.692 -5.421 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.771 -6.784 3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.788 -5.323 4.318 1.00 0.00 H new ATOM 211 N ALA A 15 -2.338 -10.273 7.152 1.00 0.00 N ATOM 212 CA ALA A 15 -2.931 -11.107 8.181 1.00 0.00 C ATOM 213 C ALA A 15 -1.901 -12.082 8.744 1.00 0.00 C ATOM 214 O ALA A 15 -1.817 -12.251 9.962 1.00 0.00 O ATOM 215 CB ALA A 15 -4.108 -11.886 7.600 1.00 0.00 C ATOM 0 H ALA A 15 -2.786 -10.381 6.242 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.281 -10.463 8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.550 -12.511 8.376 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.857 -11.188 7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.759 -12.516 6.782 1.00 0.00 H new ATOM 221 N ARG A 16 -1.113 -12.715 7.875 1.00 0.00 N ATOM 222 CA ARG A 16 -0.090 -13.667 8.282 1.00 0.00 C ATOM 223 C ARG A 16 1.041 -12.949 9.008 1.00 0.00 C ATOM 224 O ARG A 16 1.409 -13.343 10.114 1.00 0.00 O ATOM 225 CB ARG A 16 0.411 -14.446 7.060 1.00 0.00 C ATOM 226 CG ARG A 16 -0.672 -15.373 6.492 1.00 0.00 C ATOM 227 CD ARG A 16 -0.212 -15.829 5.114 1.00 0.00 C ATOM 228 NE ARG A 16 -1.192 -16.729 4.507 1.00 0.00 N ATOM 229 CZ ARG A 16 -1.052 -17.492 3.422 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.142 -17.723 2.893 1.00 0.00 N ATOM 231 NH2 ARG A 16 -2.143 -18.017 2.882 1.00 0.00 N ATOM 0 H ARG A 16 -1.170 -12.578 6.866 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.517 -14.386 8.981 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.731 -13.746 6.289 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.285 -15.035 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.825 -16.230 7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.626 -14.850 6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.062 -14.962 4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.750 -16.335 5.196 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.098 -16.780 4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.975 -17.314 3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.227 -18.310 2.063 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.057 -17.833 3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.069 -18.605 2.052 1.00 0.00 H new ATOM 245 N GLY A 17 1.574 -11.881 8.416 1.00 0.00 N ATOM 246 CA GLY A 17 2.659 -11.139 9.026 1.00 0.00 C ATOM 247 C GLY A 17 3.268 -10.035 8.170 1.00 0.00 C ATOM 248 O GLY A 17 4.453 -9.752 8.354 1.00 0.00 O ATOM 0 H GLY A 17 1.267 -11.516 7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.295 -10.696 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.448 -11.841 9.296 1.00 0.00 H new ATOM 252 N ALA A 18 2.546 -9.427 7.222 1.00 0.00 N ATOM 253 CA ALA A 18 3.056 -8.342 6.374 1.00 0.00 C ATOM 254 C ALA A 18 2.513 -6.981 6.854 1.00 0.00 C ATOM 255 O ALA A 18 1.855 -6.896 7.891 1.00 0.00 O ATOM 256 CB ALA A 18 2.752 -8.621 4.892 1.00 0.00 C ATOM 0 H ALA A 18 1.578 -9.678 7.019 1.00 0.00 H new ATOM 0 HA ALA A 18 4.141 -8.297 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.138 -7.805 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.228 -9.555 4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.674 -8.701 4.750 1.00 0.00 H new ATOM 262 N LYS A 19 2.803 -5.898 6.125 1.00 0.00 N ATOM 263 CA LYS A 19 2.366 -4.525 6.414 1.00 0.00 C ATOM 264 C LYS A 19 1.824 -3.890 5.132 1.00 0.00 C ATOM 265 O LYS A 19 2.158 -4.347 4.039 1.00 0.00 O ATOM 266 CB LYS A 19 3.552 -3.696 6.965 1.00 0.00 C ATOM 267 CG LYS A 19 3.494 -3.402 8.473 1.00 0.00 C ATOM 268 CD LYS A 19 2.324 -2.485 8.875 1.00 0.00 C ATOM 269 CE LYS A 19 1.893 -2.706 10.331 1.00 0.00 C ATOM 270 NZ LYS A 19 0.974 -3.851 10.489 1.00 0.00 N ATOM 0 H LYS A 19 3.373 -5.955 5.281 1.00 0.00 H new ATOM 0 HA LYS A 19 1.579 -4.543 7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.479 -4.228 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.595 -2.749 6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.410 -4.344 9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.431 -2.938 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.616 -1.444 8.738 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.477 -2.668 8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.778 -2.869 10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.408 -1.803 10.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.716 -3.953 11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.115 -3.687 9.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.442 -4.720 10.162 1.00 0.00 H new ATOM 284 N LEU A 20 1.053 -2.803 5.244 1.00 0.00 N ATOM 285 CA LEU A 20 0.486 -2.107 4.092 1.00 0.00 C ATOM 286 C LEU A 20 0.862 -0.637 4.160 1.00 0.00 C ATOM 287 O LEU A 20 0.437 0.088 5.062 1.00 0.00 O ATOM 288 CB LEU A 20 -1.032 -2.310 4.029 1.00 0.00 C ATOM 289 CG LEU A 20 -1.666 -1.918 2.685 1.00 0.00 C ATOM 290 CD1 LEU A 20 -1.018 -2.631 1.497 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.154 -2.272 2.695 1.00 0.00 C ATOM 0 H LEU A 20 0.806 -2.383 6.140 1.00 0.00 H new ATOM 0 HA LEU A 20 0.897 -2.523 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.256 -3.357 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.498 -1.725 4.822 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.512 -0.845 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.505 -2.316 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.041 -2.376 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.127 -3.709 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.601 -1.993 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.272 -3.344 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.651 -1.731 3.500 1.00 0.00 H new ATOM 303 N ILE A 21 1.703 -0.200 3.229 1.00 0.00 N ATOM 304 CA ILE A 21 2.188 1.166 3.152 1.00 0.00 C ATOM 305 C ILE A 21 1.528 1.784 1.935 1.00 0.00 C ATOM 306 O ILE A 21 1.811 1.401 0.800 1.00 0.00 O ATOM 307 CB ILE A 21 3.732 1.177 3.139 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.298 1.093 4.576 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.276 2.459 2.491 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.853 -0.138 5.375 1.00 0.00 C ATOM 0 H ILE A 21 2.072 -0.802 2.493 1.00 0.00 H new ATOM 0 HA ILE A 21 1.924 1.769 4.021 1.00 0.00 H new ATOM 0 HB ILE A 21 4.046 0.309 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.387 1.099 4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.000 1.989 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.366 2.436 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.921 2.526 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.928 3.326 3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.301 -0.108 6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.767 -0.139 5.466 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.175 -1.043 4.859 1.00 0.00 H new ATOM 322 N ASP A 22 0.556 2.654 2.184 1.00 0.00 N ATOM 323 CA ASP A 22 -0.173 3.351 1.137 1.00 0.00 C ATOM 324 C ASP A 22 0.722 4.499 0.686 1.00 0.00 C ATOM 325 O ASP A 22 1.056 5.362 1.506 1.00 0.00 O ATOM 326 CB ASP A 22 -1.508 3.851 1.686 1.00 0.00 C ATOM 327 CG ASP A 22 -2.392 4.380 0.564 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.589 3.998 0.535 1.00 0.00 O ATOM 329 OD2 ASP A 22 -1.888 5.138 -0.285 1.00 0.00 O ATOM 0 H ASP A 22 0.251 2.896 3.127 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.405 2.703 0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.019 3.040 2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.333 4.639 2.419 1.00 0.00 H new ATOM 334 N ILE A 23 1.151 4.453 -0.580 1.00 0.00 N ATOM 335 CA ILE A 23 2.031 5.440 -1.194 1.00 0.00 C ATOM 336 C ILE A 23 1.281 6.443 -2.088 1.00 0.00 C ATOM 337 O ILE A 23 1.951 7.201 -2.800 1.00 0.00 O ATOM 338 CB ILE A 23 3.231 4.744 -1.901 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.807 3.820 -3.061 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.069 3.912 -0.914 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.951 3.386 -3.989 1.00 0.00 C ATOM 0 H ILE A 23 0.885 3.705 -1.220 1.00 0.00 H new ATOM 0 HA ILE A 23 2.448 6.054 -0.396 1.00 0.00 H new ATOM 0 HB ILE A 23 3.824 5.563 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.338 2.929 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.049 4.331 -3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.897 3.442 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.462 4.562 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.443 3.142 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.558 2.739 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.408 4.267 -4.440 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.701 2.843 -3.413 1.00 0.00 H new ATOM 353 N ARG A 24 -0.064 6.480 -2.087 1.00 0.00 N ATOM 354 CA ARG A 24 -0.853 7.381 -2.910 1.00 0.00 C ATOM 355 C ARG A 24 -0.579 8.830 -2.552 1.00 0.00 C ATOM 356 O ARG A 24 0.266 9.448 -3.197 1.00 0.00 O ATOM 357 CB ARG A 24 -2.331 7.011 -2.762 1.00 0.00 C ATOM 358 CG ARG A 24 -2.621 5.607 -3.320 1.00 0.00 C ATOM 359 CD ARG A 24 -3.874 4.945 -2.748 1.00 0.00 C ATOM 360 NE ARG A 24 -4.931 5.935 -2.566 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.941 5.899 -1.691 1.00 0.00 C ATOM 362 NH1 ARG A 24 -5.915 5.053 -0.669 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.985 6.708 -1.847 1.00 0.00 N ATOM 0 H ARG A 24 -0.632 5.869 -1.500 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.571 7.273 -3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.613 7.051 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.945 7.745 -3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.723 5.674 -4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.763 4.966 -3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.216 4.157 -3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.641 4.472 -1.794 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.895 6.750 -3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.121 4.425 -0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.689 5.031 -0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.015 7.356 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.756 6.681 -1.179 1.00 0.00 H new ATOM 377 N ASP A 25 -1.269 9.393 -1.559 1.00 0.00 N ATOM 378 CA ASP A 25 -1.119 10.775 -1.115 1.00 0.00 C ATOM 379 C ASP A 25 -1.776 10.928 0.244 1.00 0.00 C ATOM 380 O ASP A 25 -2.698 10.177 0.569 1.00 0.00 O ATOM 381 CB ASP A 25 -1.833 11.739 -2.079 1.00 0.00 C ATOM 382 CG ASP A 25 -0.931 12.164 -3.226 1.00 0.00 C ATOM 383 OD1 ASP A 25 0.157 12.723 -2.934 1.00 0.00 O ATOM 384 OD2 ASP A 25 -1.294 11.908 -4.396 1.00 0.00 O ATOM 0 H ASP A 25 -1.971 8.880 -1.025 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.055 11.009 -1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.726 11.258 -2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.164 12.621 -1.531 1.00 0.00 H new ATOM 389 N ALA A 26 -1.323 11.904 1.034 1.00 0.00 N ATOM 390 CA ALA A 26 -1.916 12.153 2.342 1.00 0.00 C ATOM 391 C ALA A 26 -3.326 12.711 2.128 1.00 0.00 C ATOM 392 O ALA A 26 -4.252 12.340 2.840 1.00 0.00 O ATOM 393 CB ALA A 26 -1.055 13.138 3.136 1.00 0.00 C ATOM 0 H ALA A 26 -0.554 12.528 0.790 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.970 11.227 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.510 13.315 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.057 12.722 3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.985 14.080 2.592 1.00 0.00 H new ATOM 399 N ASP A 27 -3.492 13.556 1.104 1.00 0.00 N ATOM 400 CA ASP A 27 -4.758 14.192 0.735 1.00 0.00 C ATOM 401 C ASP A 27 -5.823 13.147 0.399 1.00 0.00 C ATOM 402 O ASP A 27 -7.013 13.370 0.632 1.00 0.00 O ATOM 403 CB ASP A 27 -4.579 15.081 -0.503 1.00 0.00 C ATOM 404 CG ASP A 27 -3.686 16.300 -0.319 1.00 0.00 C ATOM 405 OD1 ASP A 27 -3.596 16.885 0.786 1.00 0.00 O ATOM 406 OD2 ASP A 27 -3.080 16.710 -1.332 1.00 0.00 O ATOM 0 H ASP A 27 -2.722 13.823 0.490 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.073 14.788 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.169 14.472 -1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.562 15.420 -0.829 1.00 0.00 H new ATOM 411 N GLU A 28 -5.397 12.031 -0.193 1.00 0.00 N ATOM 412 CA GLU A 28 -6.224 10.904 -0.583 1.00 0.00 C ATOM 413 C GLU A 28 -6.603 10.117 0.666 1.00 0.00 C ATOM 414 O GLU A 28 -7.788 9.925 0.940 1.00 0.00 O ATOM 415 CB GLU A 28 -5.409 10.025 -1.539 1.00 0.00 C ATOM 416 CG GLU A 28 -5.497 10.523 -2.980 1.00 0.00 C ATOM 417 CD GLU A 28 -6.776 10.032 -3.650 1.00 0.00 C ATOM 418 OE1 GLU A 28 -7.532 10.833 -4.238 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.034 8.812 -3.655 1.00 0.00 O ATOM 0 H GLU A 28 -4.414 11.888 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.135 11.238 -1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.366 10.012 -1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.771 8.998 -1.486 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.470 11.613 -2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.631 10.175 -3.543 1.00 0.00 H new ATOM 426 N TYR A 29 -5.584 9.694 1.423 1.00 0.00 N ATOM 427 CA TYR A 29 -5.712 8.921 2.651 1.00 0.00 C ATOM 428 C TYR A 29 -6.655 9.617 3.646 1.00 0.00 C ATOM 429 O TYR A 29 -7.385 8.951 4.384 1.00 0.00 O ATOM 430 CB TYR A 29 -4.299 8.690 3.218 1.00 0.00 C ATOM 431 CG TYR A 29 -4.148 7.462 4.091 1.00 0.00 C ATOM 432 CD1 TYR A 29 -4.524 7.504 5.443 1.00 0.00 C ATOM 433 CD2 TYR A 29 -3.586 6.286 3.557 1.00 0.00 C ATOM 434 CE1 TYR A 29 -4.379 6.364 6.251 1.00 0.00 C ATOM 435 CE2 TYR A 29 -3.419 5.150 4.368 1.00 0.00 C ATOM 436 CZ TYR A 29 -3.836 5.177 5.714 1.00 0.00 C ATOM 437 OH TYR A 29 -3.791 4.028 6.436 1.00 0.00 O ATOM 0 H TYR A 29 -4.613 9.892 1.183 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.168 7.952 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.599 8.613 2.386 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.010 9.566 3.798 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.926 8.415 5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.282 6.257 2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.684 6.396 7.287 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.971 4.256 3.959 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.532 3.445 6.169 1.00 0.00 H new ATOM 447 N LEU A 30 -6.682 10.956 3.629 1.00 0.00 N ATOM 448 CA LEU A 30 -7.518 11.794 4.478 1.00 0.00 C ATOM 449 C LEU A 30 -9.005 11.478 4.314 1.00 0.00 C ATOM 450 O LEU A 30 -9.729 11.433 5.310 1.00 0.00 O ATOM 451 CB LEU A 30 -7.269 13.282 4.150 1.00 0.00 C ATOM 452 CG LEU A 30 -6.795 14.095 5.363 1.00 0.00 C ATOM 453 CD1 LEU A 30 -5.377 13.707 5.803 1.00 0.00 C ATOM 454 CD2 LEU A 30 -6.809 15.582 4.994 1.00 0.00 C ATOM 0 H LEU A 30 -6.096 11.500 2.996 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.246 11.586 5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.523 13.353 3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.188 13.721 3.762 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.471 13.885 6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.086 14.309 6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.356 12.652 6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.680 13.885 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.474 16.172 5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.141 15.754 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.822 15.880 4.722 1.00 0.00 H new ATOM 466 N ARG A 31 -9.483 11.322 3.074 1.00 0.00 N ATOM 467 CA ARG A 31 -10.887 11.025 2.810 1.00 0.00 C ATOM 468 C ARG A 31 -11.201 9.623 3.263 1.00 0.00 C ATOM 469 O ARG A 31 -12.111 9.427 4.073 1.00 0.00 O ATOM 470 CB ARG A 31 -11.234 11.220 1.328 1.00 0.00 C ATOM 471 CG ARG A 31 -11.416 12.709 1.063 1.00 0.00 C ATOM 472 CD ARG A 31 -12.211 12.982 -0.215 1.00 0.00 C ATOM 473 NE ARG A 31 -12.893 14.283 -0.136 1.00 0.00 N ATOM 474 CZ ARG A 31 -13.774 14.775 -1.014 1.00 0.00 C ATOM 475 NH1 ARG A 31 -13.972 14.173 -2.180 1.00 0.00 N ATOM 476 NH2 ARG A 31 -14.436 15.885 -0.706 1.00 0.00 N ATOM 0 H ARG A 31 -8.909 11.398 2.234 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.503 11.725 3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.441 10.818 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.146 10.677 1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.927 13.166 1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.438 13.184 0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.542 12.968 -1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.944 12.190 -0.369 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.672 14.869 0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.450 13.328 -2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.646 14.555 -2.843 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.268 16.347 0.188 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.112 16.275 -1.363 1.00 0.00 H new ATOM 490 N GLU A 32 -10.516 8.649 2.691 1.00 0.00 N ATOM 491 CA GLU A 32 -10.690 7.255 3.041 1.00 0.00 C ATOM 492 C GLU A 32 -9.387 6.520 2.778 1.00 0.00 C ATOM 493 O GLU A 32 -8.623 6.869 1.878 1.00 0.00 O ATOM 494 CB GLU A 32 -11.872 6.594 2.319 1.00 0.00 C ATOM 495 CG GLU A 32 -11.988 6.790 0.799 1.00 0.00 C ATOM 496 CD GLU A 32 -12.676 8.094 0.346 1.00 0.00 C ATOM 497 OE1 GLU A 32 -12.183 8.712 -0.629 1.00 0.00 O ATOM 498 OE2 GLU A 32 -13.721 8.480 0.934 1.00 0.00 O ATOM 0 H GLU A 32 -9.818 8.807 1.964 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.939 7.197 4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.827 5.523 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.791 6.963 2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.987 6.760 0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.538 5.946 0.383 1.00 0.00 H new ATOM 505 N HIS A 33 -9.173 5.438 3.515 1.00 0.00 N ATOM 506 CA HIS A 33 -7.985 4.607 3.450 1.00 0.00 C ATOM 507 C HIS A 33 -8.365 3.169 3.803 1.00 0.00 C ATOM 508 O HIS A 33 -9.531 2.786 3.675 1.00 0.00 O ATOM 509 CB HIS A 33 -6.928 5.226 4.379 1.00 0.00 C ATOM 510 CG HIS A 33 -7.418 5.612 5.752 1.00 0.00 C ATOM 511 ND1 HIS A 33 -8.008 6.812 6.075 1.00 0.00 N ATOM 512 CD2 HIS A 33 -7.320 4.872 6.897 1.00 0.00 C ATOM 513 CE1 HIS A 33 -8.327 6.775 7.376 1.00 0.00 C ATOM 514 NE2 HIS A 33 -7.923 5.612 7.920 1.00 0.00 N ATOM 0 H HIS A 33 -9.851 5.105 4.200 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.554 4.568 2.450 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.108 4.517 4.491 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.519 6.113 3.895 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.173 7.591 5.438 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.863 3.898 6.994 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -8.835 7.564 7.911 1.00 0.00 H new ATOM 522 N ILE A 34 -7.394 2.356 4.204 1.00 0.00 N ATOM 523 CA ILE A 34 -7.547 0.968 4.590 1.00 0.00 C ATOM 524 C ILE A 34 -7.125 0.910 6.065 1.00 0.00 C ATOM 525 O ILE A 34 -6.112 1.510 6.421 1.00 0.00 O ATOM 526 CB ILE A 34 -6.693 0.070 3.672 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.142 0.234 2.202 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.824 -1.410 4.071 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.212 -0.486 1.235 1.00 0.00 C ATOM 0 H ILE A 34 -6.426 2.671 4.270 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.567 0.599 4.482 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.653 0.376 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.154 -0.154 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.176 1.294 1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.212 -2.021 3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.487 -1.541 5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.866 -1.718 3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.567 -0.343 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.205 -0.081 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.198 -1.551 1.468 1.00 0.00 H new ATOM 541 N PRO A 35 -7.875 0.212 6.932 1.00 0.00 N ATOM 542 CA PRO A 35 -7.559 0.106 8.356 1.00 0.00 C ATOM 543 C PRO A 35 -6.253 -0.660 8.576 1.00 0.00 C ATOM 544 O PRO A 35 -5.487 -0.360 9.488 1.00 0.00 O ATOM 545 CB PRO A 35 -8.753 -0.625 8.979 1.00 0.00 C ATOM 546 CG PRO A 35 -9.376 -1.400 7.817 1.00 0.00 C ATOM 547 CD PRO A 35 -9.072 -0.534 6.602 1.00 0.00 C ATOM 0 HA PRO A 35 -7.406 1.084 8.813 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.435 -1.295 9.778 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.464 0.076 9.415 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.940 -2.394 7.719 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.449 -1.534 7.955 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.917 -1.148 5.715 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.902 0.138 6.384 1.00 0.00 H new ATOM 555 N GLU A 36 -5.972 -1.617 7.692 1.00 0.00 N ATOM 556 CA GLU A 36 -4.783 -2.458 7.710 1.00 0.00 C ATOM 557 C GLU A 36 -3.526 -1.719 7.221 1.00 0.00 C ATOM 558 O GLU A 36 -2.454 -2.327 7.172 1.00 0.00 O ATOM 559 CB GLU A 36 -5.011 -3.745 6.902 1.00 0.00 C ATOM 560 CG GLU A 36 -6.228 -4.527 7.414 1.00 0.00 C ATOM 561 CD GLU A 36 -6.060 -5.183 8.789 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.007 -5.040 9.456 1.00 0.00 O ATOM 563 OE2 GLU A 36 -7.045 -5.794 9.263 1.00 0.00 O ATOM 0 H GLU A 36 -6.594 -1.834 6.913 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.604 -2.726 8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.155 -3.494 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.123 -4.374 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.082 -3.850 7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.471 -5.303 6.688 1.00 0.00 H new ATOM 570 N ALA A 37 -3.624 -0.442 6.829 1.00 0.00 N ATOM 571 CA ALA A 37 -2.489 0.345 6.366 1.00 0.00 C ATOM 572 C ALA A 37 -2.094 1.387 7.399 1.00 0.00 C ATOM 573 O ALA A 37 -2.761 1.554 8.425 1.00 0.00 O ATOM 574 CB ALA A 37 -2.776 0.978 4.997 1.00 0.00 C ATOM 0 H ALA A 37 -4.505 0.073 6.827 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.640 -0.326 6.238 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.912 1.559 4.677 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.976 0.193 4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.645 1.632 5.073 1.00 0.00 H new ATOM 580 N ASP A 38 -0.986 2.069 7.120 1.00 0.00 N ATOM 581 CA ASP A 38 -0.472 3.116 8.007 1.00 0.00 C ATOM 582 C ASP A 38 -0.605 4.508 7.403 1.00 0.00 C ATOM 583 O ASP A 38 -1.466 5.250 7.868 1.00 0.00 O ATOM 584 CB ASP A 38 0.942 2.811 8.470 1.00 0.00 C ATOM 585 CG ASP A 38 1.194 3.570 9.771 1.00 0.00 C ATOM 586 OD1 ASP A 38 0.849 2.981 10.826 1.00 0.00 O ATOM 587 OD2 ASP A 38 1.744 4.688 9.726 1.00 0.00 O ATOM 0 H ASP A 38 -0.423 1.916 6.283 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.101 3.118 8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.068 1.739 8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.663 3.110 7.710 1.00 0.00 H new ATOM 592 N LEU A 39 0.171 4.788 6.342 1.00 0.00 N ATOM 593 CA LEU A 39 0.321 5.982 5.503 1.00 0.00 C ATOM 594 C LEU A 39 1.812 6.312 5.374 1.00 0.00 C ATOM 595 O LEU A 39 2.528 6.412 6.376 1.00 0.00 O ATOM 596 CB LEU A 39 -0.437 7.193 6.060 1.00 0.00 C ATOM 597 CG LEU A 39 -0.197 8.536 5.342 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.595 8.486 3.862 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.988 9.651 6.033 1.00 0.00 C ATOM 0 H LEU A 39 0.805 4.063 6.005 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.111 5.763 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.504 6.973 6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.168 7.313 7.109 1.00 0.00 H new ATOM 0 HG LEU A 39 0.873 8.738 5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.407 9.456 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.007 7.722 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.655 8.244 3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.811 10.595 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.052 9.415 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.665 9.737 7.070 1.00 0.00 H new ATOM 611 N ALA A 40 2.299 6.442 4.143 1.00 0.00 N ATOM 612 CA ALA A 40 3.676 6.789 3.791 1.00 0.00 C ATOM 613 C ALA A 40 3.572 7.218 2.320 1.00 0.00 C ATOM 614 O ALA A 40 3.874 6.415 1.445 1.00 0.00 O ATOM 615 CB ALA A 40 4.662 5.626 4.058 1.00 0.00 C ATOM 0 H ALA A 40 1.714 6.301 3.319 1.00 0.00 H new ATOM 0 HA ALA A 40 4.095 7.587 4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.670 5.933 3.781 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.640 5.366 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.371 4.759 3.465 1.00 0.00 H new ATOM 621 N PRO A 41 3.092 8.442 2.034 1.00 0.00 N ATOM 622 CA PRO A 41 2.914 8.909 0.668 1.00 0.00 C ATOM 623 C PRO A 41 4.247 9.077 -0.045 1.00 0.00 C ATOM 624 O PRO A 41 5.239 9.474 0.574 1.00 0.00 O ATOM 625 CB PRO A 41 2.148 10.229 0.782 1.00 0.00 C ATOM 626 CG PRO A 41 2.409 10.727 2.195 1.00 0.00 C ATOM 627 CD PRO A 41 2.729 9.473 2.996 1.00 0.00 C ATOM 0 HA PRO A 41 2.363 8.188 0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.495 10.950 0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.082 10.081 0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.238 11.434 2.218 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.539 11.243 2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.547 9.657 3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.869 9.163 3.589 1.00 0.00 H new ATOM 635 N LEU A 42 4.268 8.839 -1.361 1.00 0.00 N ATOM 636 CA LEU A 42 5.487 8.977 -2.153 1.00 0.00 C ATOM 637 C LEU A 42 6.025 10.410 -2.023 1.00 0.00 C ATOM 638 O LEU A 42 7.236 10.613 -1.962 1.00 0.00 O ATOM 639 CB LEU A 42 5.239 8.632 -3.630 1.00 0.00 C ATOM 640 CG LEU A 42 6.364 7.903 -4.391 1.00 0.00 C ATOM 641 CD1 LEU A 42 7.719 7.794 -3.696 1.00 0.00 C ATOM 642 CD2 LEU A 42 5.916 6.477 -4.678 1.00 0.00 C ATOM 0 H LEU A 42 3.450 8.549 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 42 6.227 8.274 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.342 8.015 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.021 9.559 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 42 6.522 8.524 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.417 7.259 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.105 8.793 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.604 7.252 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.703 5.950 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.712 5.963 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.011 6.495 -5.285 1.00 0.00 H new ATOM 654 N SER A 43 5.128 11.401 -1.931 1.00 0.00 N ATOM 655 CA SER A 43 5.476 12.811 -1.795 1.00 0.00 C ATOM 656 C SER A 43 6.181 13.131 -0.469 1.00 0.00 C ATOM 657 O SER A 43 6.630 14.265 -0.294 1.00 0.00 O ATOM 658 CB SER A 43 4.253 13.691 -2.070 1.00 0.00 C ATOM 659 OG SER A 43 3.796 13.425 -3.384 1.00 0.00 O ATOM 0 H SER A 43 4.122 11.236 -1.950 1.00 0.00 H new ATOM 0 HA SER A 43 6.220 13.047 -2.556 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.466 13.483 -1.345 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.513 14.744 -1.965 1.00 0.00 H new ATOM 0 HG SER A 43 3.011 13.980 -3.576 1.00 0.00 H new ATOM 665 N VAL A 44 6.321 12.181 0.459 1.00 0.00 N ATOM 666 CA VAL A 44 7.021 12.337 1.740 1.00 0.00 C ATOM 667 C VAL A 44 8.168 11.315 1.793 1.00 0.00 C ATOM 668 O VAL A 44 9.246 11.615 2.308 1.00 0.00 O ATOM 669 CB VAL A 44 6.030 12.186 2.915 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.723 12.178 4.285 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.998 13.325 2.906 1.00 0.00 C ATOM 0 H VAL A 44 5.935 11.245 0.335 1.00 0.00 H new ATOM 0 HA VAL A 44 7.449 13.336 1.829 1.00 0.00 H new ATOM 0 HB VAL A 44 5.542 11.222 2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.975 12.069 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.424 11.345 4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.263 13.115 4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.310 13.199 3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.511 14.282 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.440 13.303 1.970 1.00 0.00 H new ATOM 681 N LEU A 45 7.962 10.117 1.238 1.00 0.00 N ATOM 682 CA LEU A 45 8.941 9.037 1.209 1.00 0.00 C ATOM 683 C LEU A 45 10.167 9.396 0.393 1.00 0.00 C ATOM 684 O LEU A 45 11.272 9.059 0.807 1.00 0.00 O ATOM 685 CB LEU A 45 8.283 7.754 0.689 1.00 0.00 C ATOM 686 CG LEU A 45 7.992 6.762 1.828 1.00 0.00 C ATOM 687 CD1 LEU A 45 7.166 7.374 2.960 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.349 5.498 1.254 1.00 0.00 C ATOM 0 H LEU A 45 7.083 9.869 0.785 1.00 0.00 H new ATOM 0 HA LEU A 45 9.288 8.870 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.353 8.003 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.935 7.283 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 45 8.942 6.492 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.995 6.624 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.705 8.219 3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.208 7.716 2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.143 4.796 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.416 5.759 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.029 5.037 0.537 1.00 0.00 H new ATOM 700 N GLU A 46 9.988 10.067 -0.742 1.00 0.00 N ATOM 701 CA GLU A 46 11.114 10.480 -1.574 1.00 0.00 C ATOM 702 C GLU A 46 12.084 11.353 -0.748 1.00 0.00 C ATOM 703 O GLU A 46 13.295 11.285 -0.975 1.00 0.00 O ATOM 704 CB GLU A 46 10.645 11.202 -2.849 1.00 0.00 C ATOM 705 CG GLU A 46 10.159 10.238 -3.953 1.00 0.00 C ATOM 706 CD GLU A 46 10.947 10.327 -5.270 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.107 9.851 -5.299 1.00 0.00 O ATOM 708 OE2 GLU A 46 10.386 10.773 -6.298 1.00 0.00 O ATOM 0 H GLU A 46 9.074 10.336 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 46 11.646 9.587 -1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.837 11.888 -2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.465 11.806 -3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.218 9.216 -3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.108 10.442 -4.159 1.00 0.00 H new ATOM 715 N GLN A 47 11.578 12.129 0.218 1.00 0.00 N ATOM 716 CA GLN A 47 12.328 13.007 1.110 1.00 0.00 C ATOM 717 C GLN A 47 12.760 12.310 2.412 1.00 0.00 C ATOM 718 O GLN A 47 13.923 11.935 2.564 1.00 0.00 O ATOM 719 CB GLN A 47 11.507 14.261 1.467 1.00 0.00 C ATOM 720 CG GLN A 47 11.399 15.292 0.344 1.00 0.00 C ATOM 721 CD GLN A 47 10.410 16.400 0.711 1.00 0.00 C ATOM 722 OE1 GLN A 47 10.757 17.568 0.881 1.00 0.00 O ATOM 723 NE2 GLN A 47 9.138 16.064 0.847 1.00 0.00 N ATOM 0 H GLN A 47 10.576 12.159 0.405 1.00 0.00 H new ATOM 0 HA GLN A 47 13.227 13.290 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.503 13.951 1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.957 14.738 2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.380 15.725 0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.077 14.802 -0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.848 15.096 0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.447 16.773 1.092 1.00 0.00 H new ATOM 732 N SER A 48 11.823 12.190 3.354 1.00 0.00 N ATOM 733 CA SER A 48 11.958 11.634 4.689 1.00 0.00 C ATOM 734 C SER A 48 12.132 10.121 4.770 1.00 0.00 C ATOM 735 O SER A 48 12.755 9.624 5.719 1.00 0.00 O ATOM 736 CB SER A 48 10.689 12.037 5.445 1.00 0.00 C ATOM 737 OG SER A 48 10.816 11.849 6.838 1.00 0.00 O ATOM 0 H SER A 48 10.870 12.509 3.181 1.00 0.00 H new ATOM 0 HA SER A 48 12.881 12.029 5.114 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.463 13.084 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.847 11.451 5.076 1.00 0.00 H new ATOM 0 HG SER A 48 9.985 12.120 7.282 1.00 0.00 H new ATOM 743 N GLY A 49 11.611 9.378 3.798 1.00 0.00 N ATOM 744 CA GLY A 49 11.703 7.926 3.784 1.00 0.00 C ATOM 745 C GLY A 49 10.603 7.294 4.640 1.00 0.00 C ATOM 746 O GLY A 49 9.674 7.958 5.107 1.00 0.00 O ATOM 0 H GLY A 49 11.113 9.768 2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.623 7.564 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.680 7.617 4.156 1.00 0.00 H new ATOM 750 N LEU A 50 10.676 5.973 4.786 1.00 0.00 N ATOM 751 CA LEU A 50 9.740 5.145 5.540 1.00 0.00 C ATOM 752 C LEU A 50 10.262 5.019 6.990 1.00 0.00 C ATOM 753 O LEU A 50 11.473 4.854 7.171 1.00 0.00 O ATOM 754 CB LEU A 50 9.612 3.839 4.738 1.00 0.00 C ATOM 755 CG LEU A 50 8.543 2.844 5.194 1.00 0.00 C ATOM 756 CD1 LEU A 50 8.257 1.839 4.087 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.005 2.060 6.408 1.00 0.00 C ATOM 0 H LEU A 50 11.425 5.426 4.362 1.00 0.00 H new ATOM 0 HA LEU A 50 8.735 5.553 5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.411 4.098 3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.577 3.333 4.760 1.00 0.00 H new ATOM 0 HG LEU A 50 7.651 3.420 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.495 1.136 4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.901 2.365 3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.170 1.296 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.224 1.361 6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.911 1.507 6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.212 2.748 7.228 1.00 0.00 H new ATOM 769 N PRO A 51 9.399 5.091 8.025 1.00 0.00 N ATOM 770 CA PRO A 51 9.785 5.032 9.439 1.00 0.00 C ATOM 771 C PRO A 51 10.257 3.664 9.936 1.00 0.00 C ATOM 772 O PRO A 51 9.856 2.613 9.432 1.00 0.00 O ATOM 773 CB PRO A 51 8.538 5.456 10.224 1.00 0.00 C ATOM 774 CG PRO A 51 7.386 5.069 9.307 1.00 0.00 C ATOM 775 CD PRO A 51 7.961 5.266 7.907 1.00 0.00 C ATOM 0 HA PRO A 51 10.649 5.681 9.582 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.475 4.943 11.184 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.541 6.526 10.434 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.072 4.038 9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.512 5.698 9.474 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.538 4.544 7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.721 6.258 7.525 1.00 0.00 H new ATOM 783 N ALA A 52 11.013 3.661 11.037 1.00 0.00 N ATOM 784 CA ALA A 52 11.540 2.449 11.658 1.00 0.00 C ATOM 785 C ALA A 52 10.434 1.533 12.216 1.00 0.00 C ATOM 786 O ALA A 52 10.716 0.415 12.654 1.00 0.00 O ATOM 787 CB ALA A 52 12.521 2.835 12.762 1.00 0.00 C ATOM 0 H ALA A 52 11.279 4.515 11.527 1.00 0.00 H new ATOM 0 HA ALA A 52 12.051 1.877 10.884 1.00 0.00 H new ATOM 0 HB1 ALA A 52 12.917 1.933 13.229 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.341 3.412 12.335 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.007 3.436 13.512 1.00 0.00 H new ATOM 793 N LYS A 53 9.176 1.984 12.224 1.00 0.00 N ATOM 794 CA LYS A 53 8.034 1.220 12.711 1.00 0.00 C ATOM 795 C LYS A 53 7.347 0.431 11.603 1.00 0.00 C ATOM 796 O LYS A 53 6.794 -0.627 11.875 1.00 0.00 O ATOM 797 CB LYS A 53 6.972 2.163 13.302 1.00 0.00 C ATOM 798 CG LYS A 53 7.474 3.223 14.289 1.00 0.00 C ATOM 799 CD LYS A 53 8.260 2.669 15.480 1.00 0.00 C ATOM 800 CE LYS A 53 8.563 3.854 16.397 1.00 0.00 C ATOM 801 NZ LYS A 53 9.533 3.517 17.456 1.00 0.00 N ATOM 0 H LYS A 53 8.923 2.912 11.884 1.00 0.00 H new ATOM 0 HA LYS A 53 8.430 0.535 13.460 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.472 2.673 12.479 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.219 1.557 13.806 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.106 3.930 13.751 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.618 3.783 14.665 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.681 1.911 16.007 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.182 2.192 15.147 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.953 4.679 15.801 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.637 4.201 16.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.704 4.354 18.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.152 2.748 18.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.428 3.212 17.023 1.00 0.00 H new ATOM 815 N LEU A 54 7.374 0.917 10.358 1.00 0.00 N ATOM 816 CA LEU A 54 6.706 0.278 9.219 1.00 0.00 C ATOM 817 C LEU A 54 7.595 -0.579 8.334 1.00 0.00 C ATOM 818 O LEU A 54 7.094 -1.256 7.444 1.00 0.00 O ATOM 819 CB LEU A 54 6.081 1.383 8.349 1.00 0.00 C ATOM 820 CG LEU A 54 4.944 2.172 9.007 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.495 3.265 8.031 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.772 1.264 9.374 1.00 0.00 C ATOM 0 H LEU A 54 7.866 1.775 10.110 1.00 0.00 H new ATOM 0 HA LEU A 54 5.972 -0.404 9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.866 2.082 8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.703 0.930 7.432 1.00 0.00 H new ATOM 0 HG LEU A 54 5.302 2.617 9.935 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.685 3.841 8.478 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.334 3.926 7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.146 2.806 7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.984 1.857 9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.385 0.788 8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.110 0.499 10.073 1.00 0.00 H new ATOM 834 N ARG A 55 8.901 -0.551 8.566 1.00 0.00 N ATOM 835 CA ARG A 55 9.948 -1.267 7.830 1.00 0.00 C ATOM 836 C ARG A 55 9.972 -2.779 8.077 1.00 0.00 C ATOM 837 O ARG A 55 11.038 -3.400 8.091 1.00 0.00 O ATOM 838 CB ARG A 55 11.312 -0.626 8.104 1.00 0.00 C ATOM 839 CG ARG A 55 11.726 -0.714 9.572 1.00 0.00 C ATOM 840 CD ARG A 55 13.250 -0.624 9.679 1.00 0.00 C ATOM 841 NE ARG A 55 13.720 -0.368 11.049 1.00 0.00 N ATOM 842 CZ ARG A 55 13.577 -1.169 12.114 1.00 0.00 C ATOM 843 NH1 ARG A 55 12.911 -2.315 12.033 1.00 0.00 N ATOM 844 NH2 ARG A 55 14.106 -0.816 13.277 1.00 0.00 N ATOM 0 H ARG A 55 9.289 0.010 9.325 1.00 0.00 H new ATOM 0 HA ARG A 55 9.707 -1.166 6.772 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.068 -1.115 7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.283 0.421 7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.263 0.092 10.140 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.375 -1.651 10.004 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.689 -1.555 9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.608 0.171 9.025 1.00 0.00 H new ATOM 0 HE ARG A 55 14.207 0.514 11.205 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.495 -2.602 11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 55 12.815 -2.908 12.857 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.619 0.062 13.358 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.000 -1.422 14.090 1.00 0.00 H new ATOM 858 N HIS A 56 8.811 -3.337 8.379 1.00 0.00 N ATOM 859 CA HIS A 56 8.609 -4.749 8.641 1.00 0.00 C ATOM 860 C HIS A 56 9.171 -5.593 7.484 1.00 0.00 C ATOM 861 O HIS A 56 9.332 -5.110 6.364 1.00 0.00 O ATOM 862 CB HIS A 56 7.113 -4.989 8.884 1.00 0.00 C ATOM 863 CG HIS A 56 6.622 -4.619 10.274 1.00 0.00 C ATOM 864 ND1 HIS A 56 5.506 -5.133 10.900 1.00 0.00 N ATOM 865 CD2 HIS A 56 7.211 -3.756 11.164 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.443 -4.615 12.137 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.465 -3.766 12.347 1.00 0.00 N ATOM 0 H HIS A 56 7.950 -2.795 8.451 1.00 0.00 H new ATOM 0 HA HIS A 56 9.152 -5.059 9.534 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.545 -4.418 8.150 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.895 -6.042 8.706 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.099 -3.169 10.982 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.678 -4.848 12.863 1.00 0.00 H new ATOM 0 HE2 HIS A 56 6.657 -3.236 13.197 1.00 0.00 H new ATOM 875 N GLU A 57 9.418 -6.874 7.758 1.00 0.00 N ATOM 876 CA GLU A 57 9.977 -7.880 6.852 1.00 0.00 C ATOM 877 C GLU A 57 9.347 -7.925 5.470 1.00 0.00 C ATOM 878 O GLU A 57 10.063 -8.116 4.493 1.00 0.00 O ATOM 879 CB GLU A 57 9.802 -9.260 7.482 1.00 0.00 C ATOM 880 CG GLU A 57 10.818 -9.545 8.585 1.00 0.00 C ATOM 881 CD GLU A 57 10.242 -10.640 9.466 1.00 0.00 C ATOM 882 OE1 GLU A 57 9.793 -10.292 10.584 1.00 0.00 O ATOM 883 OE2 GLU A 57 10.158 -11.798 8.988 1.00 0.00 O ATOM 0 H GLU A 57 9.220 -7.263 8.680 1.00 0.00 H new ATOM 0 HA GLU A 57 11.021 -7.598 6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.796 -9.341 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.892 -10.021 6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.770 -9.859 8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.012 -8.645 9.169 1.00 0.00 H new ATOM 890 N GLN A 58 8.023 -7.833 5.375 1.00 0.00 N ATOM 891 CA GLN A 58 7.331 -7.861 4.100 1.00 0.00 C ATOM 892 C GLN A 58 6.246 -6.819 4.178 1.00 0.00 C ATOM 893 O GLN A 58 5.473 -6.800 5.143 1.00 0.00 O ATOM 894 CB GLN A 58 6.762 -9.251 3.746 1.00 0.00 C ATOM 895 CG GLN A 58 7.802 -10.378 3.878 1.00 0.00 C ATOM 896 CD GLN A 58 7.427 -11.678 3.169 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.668 -11.699 2.202 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.016 -12.786 3.593 1.00 0.00 N ATOM 0 H GLN A 58 7.405 -7.737 6.181 1.00 0.00 H new ATOM 0 HA GLN A 58 8.033 -7.643 3.295 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.915 -9.467 4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.382 -9.233 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.753 -10.024 3.480 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.957 -10.589 4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.644 -12.755 4.397 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.842 -13.671 3.116 1.00 0.00 H new ATOM 907 N ILE A 59 6.217 -5.925 3.195 1.00 0.00 N ATOM 908 CA ILE A 59 5.234 -4.868 3.125 1.00 0.00 C ATOM 909 C ILE A 59 4.679 -4.823 1.702 1.00 0.00 C ATOM 910 O ILE A 59 5.220 -5.437 0.781 1.00 0.00 O ATOM 911 CB ILE A 59 5.793 -3.536 3.675 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.512 -2.723 2.584 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.718 -3.734 4.895 1.00 0.00 C ATOM 914 CD1 ILE A 59 6.983 -1.353 3.058 1.00 0.00 C ATOM 0 H ILE A 59 6.883 -5.920 2.423 1.00 0.00 H new ATOM 0 HA ILE A 59 4.388 -5.067 3.782 1.00 0.00 H new ATOM 0 HB ILE A 59 4.926 -2.968 4.013 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.371 -3.290 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.840 -2.594 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.080 -2.765 5.238 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.162 -4.219 5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.565 -4.359 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.481 -0.836 2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.125 -0.768 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.680 -1.475 3.887 1.00 0.00 H new ATOM 926 N ILE A 60 3.611 -4.065 1.493 1.00 0.00 N ATOM 927 CA ILE A 60 2.943 -3.938 0.200 1.00 0.00 C ATOM 928 C ILE A 60 2.760 -2.433 -0.099 1.00 0.00 C ATOM 929 O ILE A 60 2.486 -1.658 0.821 1.00 0.00 O ATOM 930 CB ILE A 60 1.663 -4.802 0.308 1.00 0.00 C ATOM 931 CG1 ILE A 60 1.935 -6.321 0.481 1.00 0.00 C ATOM 932 CG2 ILE A 60 0.762 -4.661 -0.910 1.00 0.00 C ATOM 933 CD1 ILE A 60 0.933 -6.979 1.427 1.00 0.00 C ATOM 0 H ILE A 60 3.175 -3.510 2.229 1.00 0.00 H new ATOM 0 HA ILE A 60 3.496 -4.311 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 60 1.179 -4.415 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.890 -6.810 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.945 -6.467 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.121 -5.287 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.457 -3.620 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.304 -4.974 -1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.162 -8.041 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.996 -6.509 2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.075 -6.858 1.031 1.00 0.00 H new ATOM 945 N PHE A 61 2.913 -2.025 -1.372 1.00 0.00 N ATOM 946 CA PHE A 61 2.819 -0.643 -1.874 1.00 0.00 C ATOM 947 C PHE A 61 1.664 -0.414 -2.863 1.00 0.00 C ATOM 948 O PHE A 61 1.802 -0.766 -4.041 1.00 0.00 O ATOM 949 CB PHE A 61 4.126 -0.295 -2.618 1.00 0.00 C ATOM 950 CG PHE A 61 5.388 -0.048 -1.812 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.348 0.557 -0.542 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.632 -0.331 -2.403 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.544 0.917 0.105 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.824 0.001 -1.739 1.00 0.00 C ATOM 955 CZ PHE A 61 7.781 0.659 -0.504 1.00 0.00 C ATOM 0 H PHE A 61 3.117 -2.688 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 61 2.642 -0.015 -1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.334 -1.107 -3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.937 0.597 -3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.398 0.745 -0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.671 -0.806 -3.372 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.510 1.393 1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.776 -0.252 -2.182 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.697 0.967 -0.022 1.00 0.00 H new ATOM 965 N HIS A 62 0.534 0.148 -2.433 1.00 0.00 N ATOM 966 CA HIS A 62 -0.619 0.415 -3.301 1.00 0.00 C ATOM 967 C HIS A 62 -0.588 1.873 -3.786 1.00 0.00 C ATOM 968 O HIS A 62 -0.118 2.766 -3.080 1.00 0.00 O ATOM 969 CB HIS A 62 -1.952 0.160 -2.564 1.00 0.00 C ATOM 970 CG HIS A 62 -2.240 -1.256 -2.122 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.492 -2.378 -2.393 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.308 -1.665 -1.362 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.098 -3.431 -1.827 1.00 0.00 C ATOM 974 NE2 HIS A 62 -3.203 -3.041 -1.195 1.00 0.00 N ATOM 0 H HIS A 62 0.389 0.434 -1.465 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.554 -0.264 -4.151 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.978 0.800 -1.682 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.764 0.482 -3.215 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.088 -1.032 -0.966 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.741 -4.449 -1.876 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -3.851 -3.640 -0.684 1.00 0.00 H new ATOM 982 N CYS A 63 -1.090 2.109 -5.002 1.00 0.00 N ATOM 983 CA CYS A 63 -1.197 3.406 -5.675 1.00 0.00 C ATOM 984 C CYS A 63 -2.652 3.585 -6.127 1.00 0.00 C ATOM 985 O CYS A 63 -3.462 2.676 -5.949 1.00 0.00 O ATOM 986 CB CYS A 63 -0.247 3.512 -6.880 1.00 0.00 C ATOM 987 SG CYS A 63 1.465 3.727 -6.340 1.00 0.00 S ATOM 0 H CYS A 63 -1.455 1.351 -5.578 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.907 4.193 -4.979 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -0.329 2.614 -7.492 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.542 4.353 -7.507 1.00 0.00 H new ATOM 0 HG CYS A 63 2.241 3.811 -7.380 1.00 0.00 H new ATOM 993 N GLN A 64 -2.957 4.726 -6.753 1.00 0.00 N ATOM 994 CA GLN A 64 -4.266 5.110 -7.272 1.00 0.00 C ATOM 995 C GLN A 64 -4.841 4.002 -8.156 1.00 0.00 C ATOM 996 O GLN A 64 -5.844 3.384 -7.804 1.00 0.00 O ATOM 997 CB GLN A 64 -4.092 6.447 -8.020 1.00 0.00 C ATOM 998 CG GLN A 64 -5.311 6.951 -8.805 1.00 0.00 C ATOM 999 CD GLN A 64 -4.988 8.299 -9.437 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -4.441 8.353 -10.532 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -5.277 9.404 -8.771 1.00 0.00 N ATOM 0 H GLN A 64 -2.253 5.446 -6.919 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.988 5.247 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.813 7.211 -7.295 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.257 6.345 -8.713 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.582 6.231 -9.577 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.170 7.045 -8.141 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.733 9.346 -7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.044 10.314 -9.168 1.00 0.00 H new ATOM 1010 N ALA A 65 -4.186 3.748 -9.290 1.00 0.00 N ATOM 1011 CA ALA A 65 -4.588 2.738 -10.261 1.00 0.00 C ATOM 1012 C ALA A 65 -3.408 1.843 -10.668 1.00 0.00 C ATOM 1013 O ALA A 65 -3.501 1.127 -11.662 1.00 0.00 O ATOM 1014 CB ALA A 65 -5.227 3.442 -11.461 1.00 0.00 C ATOM 0 H ALA A 65 -3.342 4.252 -9.562 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.323 2.070 -9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.534 2.699 -12.198 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.099 4.006 -11.130 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.504 4.122 -11.911 1.00 0.00 H new ATOM 1020 N GLY A 66 -2.274 1.911 -9.957 1.00 0.00 N ATOM 1021 CA GLY A 66 -1.086 1.112 -10.264 1.00 0.00 C ATOM 1022 C GLY A 66 -0.386 1.569 -11.552 1.00 0.00 C ATOM 1023 O GLY A 66 0.295 0.783 -12.207 1.00 0.00 O ATOM 0 H GLY A 66 -2.157 2.525 -9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.385 1.175 -9.432 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.372 0.065 -10.362 1.00 0.00 H new ATOM 1027 N LYS A 67 -0.540 2.841 -11.928 1.00 0.00 N ATOM 1028 CA LYS A 67 0.029 3.444 -13.130 1.00 0.00 C ATOM 1029 C LYS A 67 1.558 3.369 -13.203 1.00 0.00 C ATOM 1030 O LYS A 67 2.080 3.061 -14.273 1.00 0.00 O ATOM 1031 CB LYS A 67 -0.538 4.871 -13.228 1.00 0.00 C ATOM 1032 CG LYS A 67 -0.033 5.761 -14.366 1.00 0.00 C ATOM 1033 CD LYS A 67 -0.300 5.198 -15.763 1.00 0.00 C ATOM 1034 CE LYS A 67 0.282 6.145 -16.818 1.00 0.00 C ATOM 1035 NZ LYS A 67 -0.533 7.359 -17.029 1.00 0.00 N ATOM 0 H LYS A 67 -1.087 3.504 -11.379 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.266 2.870 -14.008 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.622 4.796 -13.317 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.330 5.380 -12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.505 6.740 -14.284 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.040 5.913 -14.246 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.149 4.209 -15.860 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.372 5.078 -15.919 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.287 6.439 -16.517 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.376 5.610 -17.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.085 7.956 -17.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.486 7.087 -17.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.603 7.890 -16.137 1.00 0.00 H new ATOM 1049 N ARG A 68 2.308 3.631 -12.124 1.00 0.00 N ATOM 1050 CA ARG A 68 3.787 3.576 -12.139 1.00 0.00 C ATOM 1051 C ARG A 68 4.378 2.921 -10.889 1.00 0.00 C ATOM 1052 O ARG A 68 5.509 3.231 -10.512 1.00 0.00 O ATOM 1053 CB ARG A 68 4.397 4.972 -12.400 1.00 0.00 C ATOM 1054 CG ARG A 68 4.139 5.498 -13.822 1.00 0.00 C ATOM 1055 CD ARG A 68 5.083 6.646 -14.186 1.00 0.00 C ATOM 1056 NE ARG A 68 6.467 6.193 -14.402 1.00 0.00 N ATOM 1057 CZ ARG A 68 7.563 6.956 -14.279 1.00 0.00 C ATOM 1058 NH1 ARG A 68 7.480 8.238 -13.933 1.00 0.00 N ATOM 1059 NH2 ARG A 68 8.752 6.425 -14.510 1.00 0.00 N ATOM 0 H ARG A 68 1.915 3.886 -11.218 1.00 0.00 H new ATOM 0 HA ARG A 68 4.063 2.928 -12.971 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.987 5.680 -11.679 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.472 4.928 -12.227 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.263 4.685 -14.538 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.106 5.838 -13.901 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.720 7.138 -15.089 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.068 7.390 -13.390 1.00 0.00 H new ATOM 0 HE ARG A 68 6.604 5.218 -14.667 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.569 8.660 -13.755 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.328 8.799 -13.846 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.829 5.444 -14.779 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.592 6.996 -14.419 1.00 0.00 H new ATOM 1073 N THR A 69 3.633 2.043 -10.225 1.00 0.00 N ATOM 1074 CA THR A 69 4.007 1.319 -9.010 1.00 0.00 C ATOM 1075 C THR A 69 5.451 0.780 -9.064 1.00 0.00 C ATOM 1076 O THR A 69 6.360 1.341 -8.447 1.00 0.00 O ATOM 1077 CB THR A 69 2.959 0.200 -8.743 1.00 0.00 C ATOM 1078 OG1 THR A 69 1.973 0.144 -9.763 1.00 0.00 O ATOM 1079 CG2 THR A 69 2.214 0.395 -7.422 1.00 0.00 C ATOM 0 H THR A 69 2.693 1.801 -10.539 1.00 0.00 H new ATOM 0 HA THR A 69 3.998 2.013 -8.170 1.00 0.00 H new ATOM 0 HB THR A 69 3.540 -0.722 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.334 -0.571 -9.561 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.496 -0.414 -7.287 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.927 0.389 -6.598 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.687 1.349 -7.439 1.00 0.00 H new ATOM 1087 N SER A 70 5.675 -0.257 -9.865 1.00 0.00 N ATOM 1088 CA SER A 70 6.934 -0.964 -10.065 1.00 0.00 C ATOM 1089 C SER A 70 8.040 -0.115 -10.700 1.00 0.00 C ATOM 1090 O SER A 70 9.216 -0.378 -10.478 1.00 0.00 O ATOM 1091 CB SER A 70 6.650 -2.228 -10.912 1.00 0.00 C ATOM 1092 OG SER A 70 5.254 -2.514 -10.931 1.00 0.00 O ATOM 0 H SER A 70 4.926 -0.654 -10.432 1.00 0.00 H new ATOM 0 HA SER A 70 7.322 -1.229 -9.082 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.010 -2.079 -11.930 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.196 -3.078 -10.502 1.00 0.00 H new ATOM 0 HG SER A 70 5.091 -3.315 -11.472 1.00 0.00 H new ATOM 1098 N ASN A 71 7.717 0.956 -11.430 1.00 0.00 N ATOM 1099 CA ASN A 71 8.745 1.782 -12.077 1.00 0.00 C ATOM 1100 C ASN A 71 9.713 2.421 -11.092 1.00 0.00 C ATOM 1101 O ASN A 71 10.902 2.561 -11.390 1.00 0.00 O ATOM 1102 CB ASN A 71 8.121 2.904 -12.908 1.00 0.00 C ATOM 1103 CG ASN A 71 7.260 2.406 -14.050 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.193 2.960 -14.289 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.662 1.365 -14.757 1.00 0.00 N ATOM 0 H ASN A 71 6.760 1.271 -11.588 1.00 0.00 H new ATOM 0 HA ASN A 71 9.297 1.090 -12.714 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.516 3.534 -12.256 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.916 3.532 -13.310 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.081 1.009 -15.516 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.553 0.917 -14.543 1.00 0.00 H new ATOM 1112 N ASN A 72 9.209 2.843 -9.934 1.00 0.00 N ATOM 1113 CA ASN A 72 10.016 3.478 -8.899 1.00 0.00 C ATOM 1114 C ASN A 72 10.776 2.444 -8.055 1.00 0.00 C ATOM 1115 O ASN A 72 11.381 2.837 -7.061 1.00 0.00 O ATOM 1116 CB ASN A 72 9.125 4.358 -8.000 1.00 0.00 C ATOM 1117 CG ASN A 72 8.998 5.791 -8.479 1.00 0.00 C ATOM 1118 OD1 ASN A 72 8.507 6.051 -9.575 1.00 0.00 O ATOM 1119 ND2 ASN A 72 9.423 6.748 -7.676 1.00 0.00 N ATOM 0 H ASN A 72 8.223 2.753 -9.688 1.00 0.00 H new ATOM 0 HA ASN A 72 10.759 4.105 -9.392 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.131 3.914 -7.944 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.532 4.357 -6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.347 7.724 -7.961 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.828 6.511 -6.770 1.00 0.00 H new ATOM 1126 N ALA A 73 10.775 1.152 -8.416 1.00 0.00 N ATOM 1127 CA ALA A 73 11.425 0.054 -7.698 1.00 0.00 C ATOM 1128 C ALA A 73 12.882 0.256 -7.304 1.00 0.00 C ATOM 1129 O ALA A 73 13.366 -0.491 -6.461 1.00 0.00 O ATOM 1130 CB ALA A 73 11.321 -1.238 -8.511 1.00 0.00 C ATOM 0 H ALA A 73 10.296 0.833 -9.258 1.00 0.00 H new ATOM 0 HA ALA A 73 10.876 0.007 -6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.807 -2.049 -7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.271 -1.485 -8.669 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.810 -1.101 -9.475 1.00 0.00 H new ATOM 1136 N ASP A 74 13.581 1.209 -7.904 1.00 0.00 N ATOM 1137 CA ASP A 74 14.959 1.531 -7.622 1.00 0.00 C ATOM 1138 C ASP A 74 14.990 2.015 -6.169 1.00 0.00 C ATOM 1139 O ASP A 74 15.450 1.329 -5.253 1.00 0.00 O ATOM 1140 CB ASP A 74 15.370 2.631 -8.621 1.00 0.00 C ATOM 1141 CG ASP A 74 15.878 2.089 -9.958 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.937 2.526 -10.458 1.00 0.00 O ATOM 1143 OD2 ASP A 74 15.171 1.236 -10.546 1.00 0.00 O ATOM 0 H ASP A 74 13.179 1.800 -8.631 1.00 0.00 H new ATOM 0 HA ASP A 74 15.651 0.696 -7.731 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.514 3.281 -8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.148 3.247 -8.170 1.00 0.00 H new ATOM 1148 N LYS A 75 14.400 3.191 -5.952 1.00 0.00 N ATOM 1149 CA LYS A 75 14.321 3.838 -4.654 1.00 0.00 C ATOM 1150 C LYS A 75 13.260 3.179 -3.784 1.00 0.00 C ATOM 1151 O LYS A 75 13.504 2.982 -2.603 1.00 0.00 O ATOM 1152 CB LYS A 75 14.021 5.339 -4.789 1.00 0.00 C ATOM 1153 CG LYS A 75 14.608 6.040 -6.028 1.00 0.00 C ATOM 1154 CD LYS A 75 13.587 6.144 -7.176 1.00 0.00 C ATOM 1155 CE LYS A 75 12.806 7.464 -7.047 1.00 0.00 C ATOM 1156 NZ LYS A 75 12.566 8.145 -8.336 1.00 0.00 N ATOM 0 H LYS A 75 13.955 3.728 -6.696 1.00 0.00 H new ATOM 0 HA LYS A 75 15.295 3.724 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.939 5.473 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.396 5.845 -3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.945 7.039 -5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.485 5.491 -6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.099 6.104 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.901 5.298 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.847 7.262 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.355 8.137 -6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.036 9.024 -8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.477 8.369 -8.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.016 7.522 -8.961 1.00 0.00 H new ATOM 1170 N LEU A 76 12.091 2.813 -4.328 1.00 0.00 N ATOM 1171 CA LEU A 76 11.032 2.179 -3.523 1.00 0.00 C ATOM 1172 C LEU A 76 11.513 0.917 -2.815 1.00 0.00 C ATOM 1173 O LEU A 76 11.194 0.729 -1.641 1.00 0.00 O ATOM 1174 CB LEU A 76 9.774 1.840 -4.340 1.00 0.00 C ATOM 1175 CG LEU A 76 8.804 3.007 -4.533 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.620 2.535 -5.386 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.244 3.568 -3.218 1.00 0.00 C ATOM 0 H LEU A 76 11.854 2.942 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 76 10.769 2.930 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.081 1.475 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.246 1.024 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 76 9.372 3.803 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.923 3.360 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.983 2.194 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.112 1.714 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.564 4.392 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.705 2.783 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.065 3.928 -2.597 1.00 0.00 H new ATOM 1189 N ALA A 77 12.235 0.033 -3.512 1.00 0.00 N ATOM 1190 CA ALA A 77 12.731 -1.177 -2.876 1.00 0.00 C ATOM 1191 C ALA A 77 13.732 -0.814 -1.778 1.00 0.00 C ATOM 1192 O ALA A 77 13.806 -1.523 -0.782 1.00 0.00 O ATOM 1193 CB ALA A 77 13.378 -2.095 -3.901 1.00 0.00 C ATOM 0 H ALA A 77 12.482 0.135 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 77 11.890 -1.707 -2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.743 -2.995 -3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.643 -2.370 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.212 -1.579 -4.376 1.00 0.00 H new ATOM 1199 N ALA A 78 14.505 0.261 -1.961 1.00 0.00 N ATOM 1200 CA ALA A 78 15.491 0.721 -0.996 1.00 0.00 C ATOM 1201 C ALA A 78 14.820 1.288 0.257 1.00 0.00 C ATOM 1202 O ALA A 78 15.198 0.915 1.364 1.00 0.00 O ATOM 1203 CB ALA A 78 16.401 1.771 -1.640 1.00 0.00 C ATOM 0 H ALA A 78 14.457 0.841 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 78 16.094 -0.134 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.137 2.111 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.914 1.332 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.801 2.618 -1.972 1.00 0.00 H new ATOM 1209 N ILE A 79 13.819 2.155 0.069 1.00 0.00 N ATOM 1210 CA ILE A 79 13.041 2.834 1.097 1.00 0.00 C ATOM 1211 C ILE A 79 12.496 1.823 2.102 1.00 0.00 C ATOM 1212 O ILE A 79 12.564 2.064 3.307 1.00 0.00 O ATOM 1213 CB ILE A 79 11.913 3.668 0.426 1.00 0.00 C ATOM 1214 CG1 ILE A 79 12.448 4.993 -0.159 1.00 0.00 C ATOM 1215 CG2 ILE A 79 10.795 4.021 1.421 1.00 0.00 C ATOM 1216 CD1 ILE A 79 11.547 5.636 -1.226 1.00 0.00 C ATOM 0 H ILE A 79 13.515 2.414 -0.870 1.00 0.00 H new ATOM 0 HA ILE A 79 13.678 3.522 1.653 1.00 0.00 H new ATOM 0 HB ILE A 79 11.520 3.039 -0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 79 12.587 5.704 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.431 4.811 -0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.027 4.604 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.355 3.104 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.210 4.605 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.003 6.561 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.427 4.949 -2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.571 5.855 -0.794 1.00 0.00 H new ATOM 1228 N ALA A 80 11.918 0.721 1.624 1.00 0.00 N ATOM 1229 CA ALA A 80 11.349 -0.293 2.495 1.00 0.00 C ATOM 1230 C ALA A 80 12.350 -1.334 2.975 1.00 0.00 C ATOM 1231 O ALA A 80 12.291 -1.712 4.149 1.00 0.00 O ATOM 1232 CB ALA A 80 10.225 -0.991 1.742 1.00 0.00 C ATOM 0 H ALA A 80 11.834 0.512 0.629 1.00 0.00 H new ATOM 0 HA ALA A 80 10.992 0.218 3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.782 -1.758 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.462 -0.262 1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.624 -1.454 0.840 1.00 0.00 H new ATOM 1238 N ALA A 81 13.244 -1.804 2.101 1.00 0.00 N ATOM 1239 CA ALA A 81 14.196 -2.833 2.485 1.00 0.00 C ATOM 1240 C ALA A 81 15.220 -2.386 3.532 1.00 0.00 C ATOM 1241 O ALA A 81 15.394 -1.174 3.693 1.00 0.00 O ATOM 1242 CB ALA A 81 14.815 -3.446 1.237 1.00 0.00 C ATOM 0 H ALA A 81 13.324 -1.488 1.134 1.00 0.00 H new ATOM 0 HA ALA A 81 13.646 -3.614 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 81 15.529 -4.217 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.031 -3.889 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 81 15.329 -2.671 0.668 1.00 0.00 H new ATOM 1248 N PRO A 82 15.936 -3.300 4.227 1.00 0.00 N ATOM 1249 CA PRO A 82 15.942 -4.773 4.145 1.00 0.00 C ATOM 1250 C PRO A 82 14.597 -5.400 4.517 1.00 0.00 C ATOM 1251 O PRO A 82 14.290 -5.540 5.703 1.00 0.00 O ATOM 1252 CB PRO A 82 17.076 -5.230 5.069 1.00 0.00 C ATOM 1253 CG PRO A 82 17.239 -4.088 6.067 1.00 0.00 C ATOM 1254 CD PRO A 82 16.919 -2.869 5.213 1.00 0.00 C ATOM 0 HA PRO A 82 16.105 -5.103 3.119 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.826 -6.164 5.572 1.00 0.00 H new ATOM 0 HB3 PRO A 82 17.996 -5.404 4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.557 -4.184 6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.248 -4.045 6.476 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.524 -2.059 5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.817 -2.491 4.725 1.00 0.00 H new ATOM 1262 N ALA A 83 13.812 -5.787 3.505 1.00 0.00 N ATOM 1263 CA ALA A 83 12.482 -6.377 3.555 1.00 0.00 C ATOM 1264 C ALA A 83 11.990 -6.570 2.112 1.00 0.00 C ATOM 1265 O ALA A 83 12.608 -6.070 1.164 1.00 0.00 O ATOM 1266 CB ALA A 83 11.538 -5.366 4.225 1.00 0.00 C ATOM 0 H ALA A 83 14.128 -5.682 2.541 1.00 0.00 H new ATOM 0 HA ALA A 83 12.503 -7.322 4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.533 -5.785 4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.892 -5.151 5.233 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.519 -4.445 3.643 1.00 0.00 H new ATOM 1272 N GLU A 84 10.854 -7.235 1.946 1.00 0.00 N ATOM 1273 CA GLU A 84 10.212 -7.504 0.667 1.00 0.00 C ATOM 1274 C GLU A 84 9.101 -6.481 0.454 1.00 0.00 C ATOM 1275 O GLU A 84 8.480 -6.007 1.406 1.00 0.00 O ATOM 1276 CB GLU A 84 9.671 -8.940 0.628 1.00 0.00 C ATOM 1277 CG GLU A 84 10.752 -9.950 0.247 1.00 0.00 C ATOM 1278 CD GLU A 84 11.943 -9.931 1.188 1.00 0.00 C ATOM 1279 OE1 GLU A 84 12.961 -9.306 0.802 1.00 0.00 O ATOM 1280 OE2 GLU A 84 11.829 -10.559 2.270 1.00 0.00 O ATOM 0 H GLU A 84 10.332 -7.618 2.734 1.00 0.00 H new ATOM 0 HA GLU A 84 10.937 -7.413 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.261 -9.199 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.851 -8.999 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.319 -10.950 0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.094 -9.742 -0.767 1.00 0.00 H new ATOM 1287 N ILE A 85 8.825 -6.171 -0.809 1.00 0.00 N ATOM 1288 CA ILE A 85 7.827 -5.218 -1.242 1.00 0.00 C ATOM 1289 C ILE A 85 7.067 -5.831 -2.422 1.00 0.00 C ATOM 1290 O ILE A 85 7.681 -6.476 -3.271 1.00 0.00 O ATOM 1291 CB ILE A 85 8.507 -3.867 -1.560 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.945 -3.929 -2.138 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.442 -2.962 -0.331 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.100 -3.985 -1.129 1.00 0.00 C ATOM 0 H ILE A 85 9.319 -6.602 -1.590 1.00 0.00 H new ATOM 0 HA ILE A 85 7.096 -5.005 -0.462 1.00 0.00 H new ATOM 0 HB ILE A 85 7.931 -3.450 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.014 -4.807 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.093 -3.056 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 85 8.922 -2.009 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.400 -2.789 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.958 -3.441 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.049 -4.025 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.076 -3.096 -0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.996 -4.874 -0.506 1.00 0.00 H new ATOM 1306 N PHE A 86 5.750 -5.608 -2.509 1.00 0.00 N ATOM 1307 CA PHE A 86 4.906 -6.152 -3.574 1.00 0.00 C ATOM 1308 C PHE A 86 3.892 -5.117 -4.091 1.00 0.00 C ATOM 1309 O PHE A 86 3.523 -4.182 -3.366 1.00 0.00 O ATOM 1310 CB PHE A 86 4.149 -7.376 -3.033 1.00 0.00 C ATOM 1311 CG PHE A 86 5.004 -8.495 -2.460 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.328 -8.518 -1.088 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.466 -9.527 -3.301 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.127 -9.551 -0.567 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.257 -10.563 -2.776 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.602 -10.569 -1.412 1.00 0.00 C ATOM 0 H PHE A 86 5.238 -5.039 -1.835 1.00 0.00 H new ATOM 0 HA PHE A 86 5.551 -6.430 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.462 -7.038 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.542 -7.787 -3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.961 -7.740 -0.435 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.212 -9.522 -4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.376 -9.562 0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.601 -11.357 -3.422 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.230 -11.353 -1.015 1.00 0.00 H new ATOM 1326 N LEU A 87 3.426 -5.284 -5.334 1.00 0.00 N ATOM 1327 CA LEU A 87 2.452 -4.458 -6.039 1.00 0.00 C ATOM 1328 C LEU A 87 1.110 -5.189 -6.071 1.00 0.00 C ATOM 1329 O LEU A 87 1.097 -6.414 -6.015 1.00 0.00 O ATOM 1330 CB LEU A 87 2.898 -4.182 -7.480 1.00 0.00 C ATOM 1331 CG LEU A 87 4.206 -3.398 -7.650 1.00 0.00 C ATOM 1332 CD1 LEU A 87 4.410 -2.300 -6.589 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.434 -4.303 -7.745 1.00 0.00 C ATOM 0 H LEU A 87 3.747 -6.060 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 87 2.363 -3.507 -5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.003 -5.137 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.103 -3.634 -7.985 1.00 0.00 H new ATOM 0 HG LEU A 87 4.098 -2.891 -8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.355 -1.788 -6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.591 -1.583 -6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.428 -2.751 -5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.328 -3.691 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.519 -4.897 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.331 -4.967 -8.603 1.00 0.00 H new ATOM 1345 N LEU A 88 0.019 -4.431 -6.214 1.00 0.00 N ATOM 1346 CA LEU A 88 -1.358 -4.925 -6.253 1.00 0.00 C ATOM 1347 C LEU A 88 -1.966 -4.675 -7.630 1.00 0.00 C ATOM 1348 O LEU A 88 -1.556 -3.748 -8.340 1.00 0.00 O ATOM 1349 CB LEU A 88 -2.163 -4.222 -5.142 1.00 0.00 C ATOM 1350 CG LEU A 88 -3.357 -4.963 -4.504 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -4.624 -5.121 -5.339 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -2.918 -6.315 -3.947 1.00 0.00 C ATOM 0 H LEU A 88 0.074 -3.417 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.381 -6.001 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.468 -3.967 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.538 -3.283 -5.550 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.665 -4.284 -3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.375 -5.660 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.009 -4.137 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.394 -5.679 -6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.775 -6.821 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.514 -6.927 -4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.151 -6.164 -3.187 1.00 0.00 H new ATOM 1364 N GLU A 89 -2.993 -5.452 -7.961 1.00 0.00 N ATOM 1365 CA GLU A 89 -3.761 -5.465 -9.180 1.00 0.00 C ATOM 1366 C GLU A 89 -4.565 -4.183 -9.289 1.00 0.00 C ATOM 1367 O GLU A 89 -5.746 -4.136 -8.961 1.00 0.00 O ATOM 1368 CB GLU A 89 -4.654 -6.714 -9.236 1.00 0.00 C ATOM 1369 CG GLU A 89 -3.823 -8.003 -9.321 1.00 0.00 C ATOM 1370 CD GLU A 89 -4.555 -9.196 -9.943 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -5.465 -9.006 -10.781 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -4.146 -10.351 -9.697 1.00 0.00 O ATOM 0 H GLU A 89 -3.334 -6.157 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 89 -3.089 -5.513 -10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.288 -6.748 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.316 -6.650 -10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.924 -7.802 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.498 -8.277 -8.317 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.883 -3.156 -9.779 1.00 0.00 N ATOM 1380 CA ASP A 90 -4.364 -1.801 -10.024 1.00 0.00 C ATOM 1381 C ASP A 90 -4.306 -0.961 -8.739 1.00 0.00 C ATOM 1382 O ASP A 90 -4.890 0.118 -8.654 1.00 0.00 O ATOM 1383 CB ASP A 90 -5.730 -1.769 -10.753 1.00 0.00 C ATOM 1384 CG ASP A 90 -5.844 -2.715 -11.961 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -6.988 -3.084 -12.309 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -4.814 -3.066 -12.588 1.00 0.00 O ATOM 0 H ASP A 90 -2.901 -3.256 -10.036 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.684 -1.323 -10.729 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.513 -2.021 -10.038 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.922 -0.750 -11.089 1.00 0.00 H new ATOM 1391 N GLY A 91 -3.558 -1.402 -7.722 1.00 0.00 N ATOM 1392 CA GLY A 91 -3.422 -0.669 -6.468 1.00 0.00 C ATOM 1393 C GLY A 91 -4.685 -0.746 -5.612 1.00 0.00 C ATOM 1394 O GLY A 91 -5.278 -1.815 -5.478 1.00 0.00 O ATOM 0 H GLY A 91 -3.033 -2.276 -7.749 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.579 -1.070 -5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.194 0.375 -6.683 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.082 0.373 -4.994 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.267 0.435 -4.133 1.00 0.00 C ATOM 1400 C ILE A 92 -7.525 0.011 -4.905 1.00 0.00 C ATOM 1401 O ILE A 92 -8.463 -0.538 -4.326 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.342 1.829 -3.465 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.159 1.837 -2.153 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -6.736 2.968 -4.423 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.676 2.023 -2.254 1.00 0.00 C ATOM 0 H ILE A 92 -4.589 1.262 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.194 -0.286 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.313 2.047 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.971 0.896 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.766 2.632 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.765 3.910 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.003 3.038 -5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.719 2.764 -4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.112 2.007 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.894 2.979 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.103 1.216 -2.849 1.00 0.00 H new ATOM 1417 N ASP A 93 -7.534 0.221 -6.224 1.00 0.00 N ATOM 1418 CA ASP A 93 -8.648 -0.155 -7.086 1.00 0.00 C ATOM 1419 C ASP A 93 -8.921 -1.662 -6.948 1.00 0.00 C ATOM 1420 O ASP A 93 -10.080 -2.075 -6.837 1.00 0.00 O ATOM 1421 CB ASP A 93 -8.326 0.251 -8.523 1.00 0.00 C ATOM 1422 CG ASP A 93 -9.524 0.022 -9.434 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -10.307 0.970 -9.650 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -9.701 -1.099 -9.956 1.00 0.00 O ATOM 0 H ASP A 93 -6.761 0.660 -6.723 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.558 0.366 -6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.038 1.302 -8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.474 -0.324 -8.885 1.00 0.00 H new ATOM 1429 N GLY A 94 -7.859 -2.474 -6.866 1.00 0.00 N ATOM 1430 CA GLY A 94 -7.921 -3.922 -6.706 1.00 0.00 C ATOM 1431 C GLY A 94 -8.408 -4.297 -5.309 1.00 0.00 C ATOM 1432 O GLY A 94 -9.175 -5.247 -5.157 1.00 0.00 O ATOM 0 H GLY A 94 -6.902 -2.123 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.590 -4.346 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.935 -4.353 -6.879 1.00 0.00 H new ATOM 1436 N TRP A 95 -8.020 -3.524 -4.287 1.00 0.00 N ATOM 1437 CA TRP A 95 -8.427 -3.762 -2.903 1.00 0.00 C ATOM 1438 C TRP A 95 -9.948 -3.760 -2.816 1.00 0.00 C ATOM 1439 O TRP A 95 -10.569 -4.656 -2.237 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.800 -2.724 -1.961 1.00 0.00 C ATOM 1441 CG TRP A 95 -7.938 -3.064 -0.512 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -8.989 -2.765 0.284 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.018 -3.831 0.313 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -8.782 -3.302 1.538 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.592 -4.002 1.607 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -5.749 -4.394 0.083 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -6.947 -4.745 2.612 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.078 -5.106 1.094 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.676 -5.287 2.354 1.00 0.00 C ATOM 0 H TRP A 95 -7.412 -2.713 -4.401 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.065 -4.739 -2.582 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.742 -2.621 -2.201 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.264 -1.755 -2.143 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -9.856 -2.195 -0.015 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.429 -3.195 2.320 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.283 -4.278 -0.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.422 -4.897 3.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.098 -5.516 0.901 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.159 -5.842 3.123 1.00 0.00 H new ATOM 1460 N LYS A 96 -10.566 -2.731 -3.400 1.00 0.00 N ATOM 1461 CA LYS A 96 -12.018 -2.630 -3.404 1.00 0.00 C ATOM 1462 C LYS A 96 -12.613 -3.724 -4.277 1.00 0.00 C ATOM 1463 O LYS A 96 -13.676 -4.232 -3.928 1.00 0.00 O ATOM 1464 CB LYS A 96 -12.448 -1.248 -3.872 1.00 0.00 C ATOM 1465 CG LYS A 96 -12.161 -0.222 -2.766 1.00 0.00 C ATOM 1466 CD LYS A 96 -12.971 1.046 -3.006 1.00 0.00 C ATOM 1467 CE LYS A 96 -12.795 2.037 -1.855 1.00 0.00 C ATOM 1468 NZ LYS A 96 -13.720 3.169 -2.024 1.00 0.00 N ATOM 0 H LYS A 96 -10.085 -1.965 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.392 -2.768 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.913 -0.977 -4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -13.510 -1.249 -4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.412 -0.645 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.097 0.015 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.657 1.510 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.026 0.793 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.984 1.540 -0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.767 2.397 -1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.596 3.839 -1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.520 3.650 -2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.699 2.819 -2.029 1.00 0.00 H new ATOM 1482 N LYS A 97 -11.945 -4.117 -5.365 1.00 0.00 N ATOM 1483 CA LYS A 97 -12.403 -5.180 -6.268 1.00 0.00 C ATOM 1484 C LYS A 97 -12.642 -6.459 -5.463 1.00 0.00 C ATOM 1485 O LYS A 97 -13.695 -7.081 -5.573 1.00 0.00 O ATOM 1486 CB LYS A 97 -11.357 -5.427 -7.373 1.00 0.00 C ATOM 1487 CG LYS A 97 -11.992 -5.811 -8.712 1.00 0.00 C ATOM 1488 CD LYS A 97 -12.550 -4.590 -9.457 1.00 0.00 C ATOM 1489 CE LYS A 97 -11.398 -3.749 -10.015 1.00 0.00 C ATOM 1490 NZ LYS A 97 -11.873 -2.530 -10.686 1.00 0.00 N ATOM 0 H LYS A 97 -11.058 -3.701 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.336 -4.876 -6.743 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.755 -4.528 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.680 -6.220 -7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.249 -6.308 -9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.795 -6.528 -8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.201 -4.915 -10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -13.158 -3.988 -8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.724 -3.475 -9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.821 -4.348 -10.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.222 -1.745 -10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.910 -2.691 -11.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.823 -2.290 -10.338 1.00 0.00 H new ATOM 1504 N ALA A 98 -11.695 -6.820 -4.593 1.00 0.00 N ATOM 1505 CA ALA A 98 -11.771 -7.999 -3.729 1.00 0.00 C ATOM 1506 C ALA A 98 -12.880 -7.892 -2.668 1.00 0.00 C ATOM 1507 O ALA A 98 -13.209 -8.872 -1.997 1.00 0.00 O ATOM 1508 CB ALA A 98 -10.419 -8.146 -3.046 1.00 0.00 C ATOM 0 H ALA A 98 -10.834 -6.287 -4.468 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.016 -8.867 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.435 -9.017 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.642 -8.274 -3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.210 -7.253 -2.457 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.450 -6.702 -2.488 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.519 -6.419 -1.539 1.00 0.00 C ATOM 1516 C GLY A 99 -13.997 -6.278 -0.113 1.00 0.00 C ATOM 1517 O GLY A 99 -14.789 -6.269 0.833 1.00 0.00 O ATOM 0 H GLY A 99 -13.168 -5.879 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.028 -5.501 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.258 -7.219 -1.577 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.678 -6.172 0.057 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.015 -6.050 1.348 1.00 0.00 C ATOM 1523 C LEU A 100 -12.439 -4.766 2.076 1.00 0.00 C ATOM 1524 O LEU A 100 -12.824 -3.783 1.428 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.498 -6.079 1.138 1.00 0.00 C ATOM 1526 CG LEU A 100 -9.966 -7.393 0.545 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.501 -7.203 0.154 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.156 -8.562 1.515 1.00 0.00 C ATOM 0 H LEU A 100 -12.025 -6.169 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.312 -6.889 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.219 -5.257 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.007 -5.901 2.095 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.537 -7.645 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.114 -8.130 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.422 -6.407 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.920 -6.936 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.769 -9.476 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.618 -8.358 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.217 -8.686 1.732 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.354 -4.743 3.418 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.735 -3.592 4.223 1.00 0.00 C ATOM 1542 C PRO A 101 -11.849 -2.368 3.965 1.00 0.00 C ATOM 1543 O PRO A 101 -10.724 -2.465 3.458 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.701 -4.064 5.683 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.840 -5.327 5.684 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.917 -5.852 4.253 1.00 0.00 C ATOM 0 HA PRO A 101 -13.733 -3.245 3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.276 -3.299 6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.705 -4.273 6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.812 -5.105 5.969 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.216 -6.062 6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.946 -6.223 3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.616 -6.686 4.185 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.378 -1.202 4.328 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.778 0.122 4.210 1.00 0.00 C ATOM 1556 C VAL A 102 -12.112 0.940 5.458 1.00 0.00 C ATOM 1557 O VAL A 102 -12.931 0.542 6.286 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.288 0.867 2.954 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.540 0.461 1.685 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -13.806 0.754 2.759 1.00 0.00 C ATOM 0 H VAL A 102 -13.308 -1.156 4.744 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.699 -0.000 4.114 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.070 1.919 3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.939 1.014 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.480 0.686 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.667 -0.608 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.099 1.298 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.082 -0.295 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.316 1.179 3.623 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.463 2.091 5.577 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.598 3.060 6.634 1.00 0.00 C ATOM 1572 C ALA A 103 -12.152 4.300 5.941 1.00 0.00 C ATOM 1573 O ALA A 103 -11.426 5.213 5.545 1.00 0.00 O ATOM 1574 CB ALA A 103 -10.244 3.269 7.310 1.00 0.00 C ATOM 0 H ALA A 103 -10.779 2.385 4.880 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.266 2.760 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.346 4.002 8.110 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.895 2.324 7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.523 3.630 6.577 1.00 0.00 H new ATOM 1580 N VAL A 104 -13.454 4.252 5.683 1.00 0.00 N ATOM 1581 CA VAL A 104 -14.254 5.296 5.050 1.00 0.00 C ATOM 1582 C VAL A 104 -15.156 5.925 6.121 1.00 0.00 C ATOM 1583 O VAL A 104 -15.187 5.473 7.274 1.00 0.00 O ATOM 1584 CB VAL A 104 -15.106 4.689 3.907 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -14.293 4.254 2.682 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -15.946 3.493 4.377 1.00 0.00 C ATOM 0 H VAL A 104 -14.014 3.434 5.924 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.608 6.060 4.618 1.00 0.00 H new ATOM 0 HB VAL A 104 -15.758 5.510 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.963 3.840 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.770 5.116 2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.567 3.496 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.525 3.103 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.287 2.712 4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.623 3.813 5.169 1.00 0.00 H new ATOM 1596 N ASN A 105 -15.866 6.997 5.769 1.00 0.00 N ATOM 1597 CA ASN A 105 -16.798 7.642 6.697 1.00 0.00 C ATOM 1598 C ASN A 105 -18.142 6.897 6.595 1.00 0.00 C ATOM 1599 O ASN A 105 -18.279 5.939 5.821 1.00 0.00 O ATOM 1600 CB ASN A 105 -16.942 9.147 6.411 1.00 0.00 C ATOM 1601 CG ASN A 105 -18.043 9.467 5.414 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -19.132 9.877 5.798 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -17.806 9.244 4.139 1.00 0.00 N ATOM 0 H ASN A 105 -15.815 7.437 4.850 1.00 0.00 H new ATOM 0 HA ASN A 105 -16.418 7.580 7.717 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.145 9.670 7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -15.995 9.530 6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -18.537 9.412 3.447 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -16.892 8.903 3.842 1.00 0.00 H new ATOM 1610 N LYS A 106 -19.147 7.295 7.373 1.00 0.00 N ATOM 1611 CA LYS A 106 -20.463 6.669 7.347 1.00 0.00 C ATOM 1612 C LYS A 106 -21.493 7.736 7.020 1.00 0.00 C ATOM 1613 O LYS A 106 -21.697 8.629 7.844 1.00 0.00 O ATOM 1614 CB LYS A 106 -20.825 6.057 8.706 1.00 0.00 C ATOM 1615 CG LYS A 106 -19.846 5.040 9.309 1.00 0.00 C ATOM 1616 CD LYS A 106 -20.376 4.490 10.650 1.00 0.00 C ATOM 1617 CE LYS A 106 -20.176 5.341 11.922 1.00 0.00 C ATOM 1618 NZ LYS A 106 -20.632 6.738 11.810 1.00 0.00 N ATOM 0 H LYS A 106 -19.069 8.063 8.040 1.00 0.00 H new ATOM 0 HA LYS A 106 -20.451 5.875 6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -20.946 6.872 9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -21.796 5.572 8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -19.693 4.218 8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -18.875 5.512 9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -21.445 4.310 10.536 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -19.906 3.522 10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -20.706 4.866 12.747 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -19.117 5.339 12.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -20.650 7.174 12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -19.980 7.268 11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -21.588 6.759 11.400 1.00 0.00 H new ATOM 1632 N SER A 107 -22.071 7.713 5.824 1.00 0.00 N ATOM 1633 CA SER A 107 -23.107 8.677 5.481 1.00 0.00 C ATOM 1634 C SER A 107 -24.376 8.231 6.233 1.00 0.00 C ATOM 1635 O SER A 107 -24.383 7.167 6.876 1.00 0.00 O ATOM 1636 CB SER A 107 -23.269 8.701 3.957 1.00 0.00 C ATOM 1637 OG SER A 107 -24.145 9.722 3.516 1.00 0.00 O ATOM 0 H SER A 107 -21.843 7.047 5.086 1.00 0.00 H new ATOM 0 HA SER A 107 -22.869 9.699 5.777 1.00 0.00 H new ATOM 0 HB2 SER A 107 -22.292 8.841 3.494 1.00 0.00 H new ATOM 0 HB3 SER A 107 -23.645 7.735 3.621 1.00 0.00 H new ATOM 0 HG SER A 107 -24.212 9.696 2.539 1.00 0.00 H new ATOM 1643 N GLN A 108 -25.439 9.037 6.199 1.00 0.00 N ATOM 1644 CA GLN A 108 -26.692 8.691 6.863 1.00 0.00 C ATOM 1645 C GLN A 108 -27.241 7.415 6.237 1.00 0.00 C ATOM 1646 O GLN A 108 -27.633 6.517 7.015 1.00 0.00 O ATOM 1647 CB GLN A 108 -27.698 9.852 6.787 1.00 0.00 C ATOM 1648 CG GLN A 108 -27.288 11.066 7.640 1.00 0.00 C ATOM 1649 CD GLN A 108 -27.377 10.793 9.141 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -28.438 10.876 9.751 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -26.275 10.458 9.798 1.00 0.00 N ATOM 0 H GLN A 108 -25.454 9.936 5.717 1.00 0.00 H new ATOM 0 HA GLN A 108 -26.511 8.512 7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -27.804 10.165 5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -28.676 9.499 7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -26.267 11.353 7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -27.928 11.912 7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -25.387 10.386 9.301 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -26.315 10.272 10.800 1.00 0.00 H new TER 1660 GLN A 108