USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 HIS : no HE2:sc= -1.68! C(o=-2.3!,f=-4.7!) USER MOD Set 1.2: A 62 HIS : no HE2:sc= -0.659 K(o=-2.3,f=-7.8!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 76:sc= 1.08 USER MOD Single : A 8 HIS : no HE2:sc= 0.344 K(o=0.34,f=-1.8!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 47 GLN : amide:sc= -0.105 X(o=-0.11,f=0.00086) 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= -0.68 K(o=-0.68,f=0.056) USER MOD Single : A 58 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.28) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0226 X(o=-0.023,f=-0.023) USER MOD Single : A 72 ASN : amide:sc= -0.0544 K(o=-0.054,f=-1.8!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -138:sc= -0.356 (180deg=-1.76) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 10.733 -6.506 -6.275 1.00 0.00 N ATOM 12 CA LEU A 2 9.340 -6.072 -6.367 1.00 0.00 C ATOM 13 C LEU A 2 8.542 -6.974 -7.323 1.00 0.00 C ATOM 14 O LEU A 2 8.714 -6.904 -8.544 1.00 0.00 O ATOM 15 CB LEU A 2 9.293 -4.595 -6.801 1.00 0.00 C ATOM 16 CG LEU A 2 9.366 -3.669 -5.575 1.00 0.00 C ATOM 17 CD1 LEU A 2 9.995 -2.319 -5.905 1.00 0.00 C ATOM 18 CD2 LEU A 2 7.968 -3.398 -5.021 1.00 0.00 C ATOM 0 HA LEU A 2 8.870 -6.160 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.123 -4.382 -7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.375 -4.402 -7.355 1.00 0.00 H new ATOM 0 HG LEU A 2 9.985 -4.187 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.024 -1.702 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.009 -2.471 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.402 -1.819 -6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.041 -2.741 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.359 -2.920 -5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.505 -4.339 -4.725 1.00 0.00 H new ATOM 30 N THR A 3 7.644 -7.773 -6.747 1.00 0.00 N ATOM 31 CA THR A 3 6.758 -8.729 -7.407 1.00 0.00 C ATOM 32 C THR A 3 5.302 -8.298 -7.171 1.00 0.00 C ATOM 33 O THR A 3 5.024 -7.626 -6.177 1.00 0.00 O ATOM 34 CB THR A 3 7.044 -10.116 -6.794 1.00 0.00 C ATOM 35 OG1 THR A 3 8.422 -10.418 -6.874 1.00 0.00 O ATOM 36 CG2 THR A 3 6.298 -11.256 -7.481 1.00 0.00 C ATOM 0 H THR A 3 7.508 -7.768 -5.736 1.00 0.00 H new ATOM 0 HA THR A 3 6.925 -8.768 -8.483 1.00 0.00 H new ATOM 0 HB THR A 3 6.700 -10.045 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.587 -11.300 -6.480 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.549 -12.199 -6.996 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.224 -11.084 -7.408 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.588 -11.300 -8.531 1.00 0.00 H new ATOM 44 N THR A 4 4.367 -8.679 -8.041 1.00 0.00 N ATOM 45 CA THR A 4 2.952 -8.329 -7.926 1.00 0.00 C ATOM 46 C THR A 4 2.167 -9.546 -7.396 1.00 0.00 C ATOM 47 O THR A 4 2.515 -10.669 -7.762 1.00 0.00 O ATOM 48 CB THR A 4 2.431 -7.873 -9.309 1.00 0.00 C ATOM 49 OG1 THR A 4 3.440 -7.306 -10.135 1.00 0.00 O ATOM 50 CG2 THR A 4 1.331 -6.824 -9.164 1.00 0.00 C ATOM 0 H THR A 4 4.576 -9.250 -8.860 1.00 0.00 H new ATOM 0 HA THR A 4 2.816 -7.508 -7.222 1.00 0.00 H new ATOM 0 HB THR A 4 2.056 -8.782 -9.778 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.049 -7.040 -10.993 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.984 -6.522 -10.152 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.499 -7.245 -8.600 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.724 -5.955 -8.636 1.00 0.00 H new ATOM 58 N ILE A 5 1.100 -9.362 -6.604 1.00 0.00 N ATOM 59 CA ILE A 5 0.279 -10.461 -6.049 1.00 0.00 C ATOM 60 C ILE A 5 -1.208 -10.297 -6.421 1.00 0.00 C ATOM 61 O ILE A 5 -1.564 -9.304 -7.066 1.00 0.00 O ATOM 62 CB ILE A 5 0.543 -10.686 -4.534 1.00 0.00 C ATOM 63 CG1 ILE A 5 -0.131 -9.707 -3.547 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.050 -10.792 -4.239 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.203 -8.232 -3.758 1.00 0.00 C ATOM 0 H ILE A 5 0.775 -8.436 -6.325 1.00 0.00 H new ATOM 0 HA ILE A 5 0.596 -11.391 -6.522 1.00 0.00 H new ATOM 0 HB ILE A 5 0.044 -11.636 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.211 -9.831 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.155 -9.986 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.202 -10.949 -3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.471 -11.631 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.546 -9.871 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.320 -7.631 -3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.278 -8.084 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.110 -7.927 -4.757 1.00 0.00 H new ATOM 77 N SER A 6 -2.063 -11.278 -6.095 1.00 0.00 N ATOM 78 CA SER A 6 -3.500 -11.218 -6.394 1.00 0.00 C ATOM 79 C SER A 6 -4.134 -10.049 -5.622 1.00 0.00 C ATOM 80 O SER A 6 -3.606 -9.678 -4.568 1.00 0.00 O ATOM 81 CB SER A 6 -4.205 -12.535 -6.036 1.00 0.00 C ATOM 82 OG SER A 6 -3.451 -13.665 -6.419 1.00 0.00 O ATOM 0 H SER A 6 -1.778 -12.133 -5.618 1.00 0.00 H new ATOM 0 HA SER A 6 -3.622 -11.060 -7.466 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.385 -12.568 -4.962 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.179 -12.568 -6.524 1.00 0.00 H new ATOM 0 HG SER A 6 -2.714 -13.796 -5.787 1.00 0.00 H new ATOM 88 N PRO A 7 -5.292 -9.508 -6.045 1.00 0.00 N ATOM 89 CA PRO A 7 -5.920 -8.395 -5.335 1.00 0.00 C ATOM 90 C PRO A 7 -6.302 -8.760 -3.897 1.00 0.00 C ATOM 91 O PRO A 7 -6.324 -7.893 -3.028 1.00 0.00 O ATOM 92 CB PRO A 7 -7.133 -7.985 -6.181 1.00 0.00 C ATOM 93 CG PRO A 7 -7.443 -9.245 -6.990 1.00 0.00 C ATOM 94 CD PRO A 7 -6.053 -9.828 -7.243 1.00 0.00 C ATOM 0 HA PRO A 7 -5.226 -7.562 -5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.977 -7.690 -5.557 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.904 -7.138 -6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.078 -9.936 -6.436 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.961 -9.012 -7.921 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.099 -10.905 -7.406 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.596 -9.390 -8.131 1.00 0.00 H new ATOM 102 N HIS A 8 -6.570 -10.042 -3.647 1.00 0.00 N ATOM 103 CA HIS A 8 -6.952 -10.572 -2.352 1.00 0.00 C ATOM 104 C HIS A 8 -5.744 -11.084 -1.553 1.00 0.00 C ATOM 105 O HIS A 8 -5.761 -11.047 -0.322 1.00 0.00 O ATOM 106 CB HIS A 8 -7.944 -11.709 -2.619 1.00 0.00 C ATOM 107 CG HIS A 8 -8.783 -12.082 -1.432 1.00 0.00 C ATOM 108 ND1 HIS A 8 -8.333 -12.265 -0.146 1.00 0.00 N ATOM 109 CD2 HIS A 8 -10.135 -12.284 -1.442 1.00 0.00 C ATOM 110 CE1 HIS A 8 -9.393 -12.569 0.610 1.00 0.00 C ATOM 111 NE2 HIS A 8 -10.512 -12.601 -0.137 1.00 0.00 N ATOM 0 H HIS A 8 -6.523 -10.759 -4.371 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.398 -9.784 -1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.602 -11.418 -3.438 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.392 -12.588 -2.951 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -7.368 -12.184 0.173 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -10.788 -12.212 -2.299 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.356 -12.762 1.672 1.00 0.00 H new ATOM 119 N ASP A 9 -4.689 -11.549 -2.233 1.00 0.00 N ATOM 120 CA ASP A 9 -3.480 -12.088 -1.602 1.00 0.00 C ATOM 121 C ASP A 9 -2.785 -11.038 -0.754 1.00 0.00 C ATOM 122 O ASP A 9 -2.142 -11.374 0.237 1.00 0.00 O ATOM 123 CB ASP A 9 -2.463 -12.568 -2.647 1.00 0.00 C ATOM 124 CG ASP A 9 -2.800 -13.889 -3.326 1.00 0.00 C ATOM 125 OD1 ASP A 9 -2.092 -14.252 -4.301 1.00 0.00 O ATOM 126 OD2 ASP A 9 -3.831 -14.513 -3.000 1.00 0.00 O ATOM 0 H ASP A 9 -4.652 -11.561 -3.252 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.811 -12.923 -0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.365 -11.799 -3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.490 -12.664 -2.165 1.00 0.00 H new ATOM 131 N ALA A 10 -2.917 -9.764 -1.136 1.00 0.00 N ATOM 132 CA ALA A 10 -2.312 -8.668 -0.409 1.00 0.00 C ATOM 133 C ALA A 10 -2.719 -8.720 1.066 1.00 0.00 C ATOM 134 O ALA A 10 -1.860 -8.586 1.938 1.00 0.00 O ATOM 135 CB ALA A 10 -2.716 -7.343 -1.060 1.00 0.00 C ATOM 0 H ALA A 10 -3.447 -9.474 -1.958 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.226 -8.754 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.262 -6.516 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.374 -7.327 -2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.801 -7.241 -1.035 1.00 0.00 H new ATOM 141 N GLN A 11 -4.015 -8.910 1.339 1.00 0.00 N ATOM 142 CA GLN A 11 -4.547 -8.975 2.690 1.00 0.00 C ATOM 143 C GLN A 11 -4.003 -10.181 3.430 1.00 0.00 C ATOM 144 O GLN A 11 -3.612 -10.042 4.582 1.00 0.00 O ATOM 145 CB GLN A 11 -6.075 -8.979 2.657 1.00 0.00 C ATOM 146 CG GLN A 11 -6.665 -8.253 3.881 1.00 0.00 C ATOM 147 CD GLN A 11 -7.370 -9.193 4.862 1.00 0.00 C ATOM 148 OE1 GLN A 11 -6.936 -10.312 5.112 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.499 -8.783 5.423 1.00 0.00 N ATOM 0 H GLN A 11 -4.725 -9.023 0.615 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.223 -8.088 3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.422 -8.496 1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.437 -10.007 2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.865 -7.728 4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.373 -7.498 3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.862 -7.852 5.217 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.004 -9.398 6.061 1.00 0.00 H new ATOM 158 N GLU A 12 -3.953 -11.336 2.762 1.00 0.00 N ATOM 159 CA GLU A 12 -3.432 -12.572 3.336 1.00 0.00 C ATOM 160 C GLU A 12 -2.031 -12.314 3.882 1.00 0.00 C ATOM 161 O GLU A 12 -1.716 -12.768 4.975 1.00 0.00 O ATOM 162 CB GLU A 12 -3.409 -13.685 2.268 1.00 0.00 C ATOM 163 CG GLU A 12 -3.286 -15.075 2.910 1.00 0.00 C ATOM 164 CD GLU A 12 -2.901 -16.212 1.950 1.00 0.00 C ATOM 165 OE1 GLU A 12 -2.500 -17.289 2.460 1.00 0.00 O ATOM 166 OE2 GLU A 12 -2.992 -16.088 0.708 1.00 0.00 O ATOM 0 H GLU A 12 -4.276 -11.437 1.800 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.077 -12.902 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.320 -13.638 1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.573 -13.521 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.541 -15.025 3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.237 -15.325 3.380 1.00 0.00 H new ATOM 173 N LEU A 13 -1.185 -11.576 3.158 1.00 0.00 N ATOM 174 CA LEU A 13 0.171 -11.307 3.615 1.00 0.00 C ATOM 175 C LEU A 13 0.122 -10.503 4.911 1.00 0.00 C ATOM 176 O LEU A 13 0.744 -10.889 5.898 1.00 0.00 O ATOM 177 CB LEU A 13 0.981 -10.612 2.510 1.00 0.00 C ATOM 178 CG LEU A 13 1.230 -11.460 1.245 1.00 0.00 C ATOM 179 CD1 LEU A 13 2.023 -10.635 0.222 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.970 -12.766 1.552 1.00 0.00 C ATOM 0 H LEU A 13 -1.419 -11.158 2.257 1.00 0.00 H new ATOM 0 HA LEU A 13 0.685 -12.243 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.460 -9.700 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.944 -10.312 2.922 1.00 0.00 H new ATOM 0 HG LEU A 13 0.258 -11.732 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.199 -11.234 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.455 -9.744 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.979 -10.340 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.120 -13.325 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.937 -12.539 2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.380 -13.364 2.246 1.00 0.00 H new ATOM 192 N ILE A 14 -0.625 -9.399 4.939 1.00 0.00 N ATOM 193 CA ILE A 14 -0.750 -8.555 6.128 1.00 0.00 C ATOM 194 C ILE A 14 -1.307 -9.373 7.299 1.00 0.00 C ATOM 195 O ILE A 14 -0.801 -9.256 8.417 1.00 0.00 O ATOM 196 CB ILE A 14 -1.583 -7.299 5.807 1.00 0.00 C ATOM 197 CG1 ILE A 14 -0.937 -6.465 4.676 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.735 -6.380 7.024 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.005 -5.950 3.716 1.00 0.00 C ATOM 0 H ILE A 14 -1.161 -9.064 4.138 1.00 0.00 H new ATOM 0 HA ILE A 14 0.233 -8.200 6.437 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.561 -7.668 5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.388 -5.626 5.103 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.215 -7.075 4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.329 -5.508 6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.234 -6.921 7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.750 -6.056 7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.533 -5.365 2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.535 -6.794 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.711 -5.322 4.260 1.00 0.00 H new ATOM 211 N ALA A 15 -2.293 -10.242 7.058 1.00 0.00 N ATOM 212 CA ALA A 15 -2.893 -11.081 8.085 1.00 0.00 C ATOM 213 C ALA A 15 -1.855 -12.045 8.672 1.00 0.00 C ATOM 214 O ALA A 15 -1.908 -12.348 9.868 1.00 0.00 O ATOM 215 CB ALA A 15 -4.077 -11.854 7.496 1.00 0.00 C ATOM 0 H ALA A 15 -2.698 -10.380 6.132 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.254 -10.445 8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.523 -12.481 8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.822 -11.151 7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.730 -12.482 6.675 1.00 0.00 H new ATOM 221 N ARG A 16 -0.918 -12.533 7.851 1.00 0.00 N ATOM 222 CA ARG A 16 0.151 -13.444 8.263 1.00 0.00 C ATOM 223 C ARG A 16 1.269 -12.692 8.991 1.00 0.00 C ATOM 224 O ARG A 16 2.034 -13.326 9.719 1.00 0.00 O ATOM 225 CB ARG A 16 0.746 -14.133 7.031 1.00 0.00 C ATOM 226 CG ARG A 16 -0.217 -15.076 6.284 1.00 0.00 C ATOM 227 CD ARG A 16 0.305 -15.202 4.848 1.00 0.00 C ATOM 228 NE ARG A 16 -0.129 -16.427 4.168 1.00 0.00 N ATOM 229 CZ ARG A 16 0.678 -17.341 3.620 1.00 0.00 C ATOM 230 NH1 ARG A 16 1.998 -17.302 3.788 1.00 0.00 N ATOM 231 NH2 ARG A 16 0.135 -18.280 2.862 1.00 0.00 N ATOM 0 H ARG A 16 -0.883 -12.299 6.859 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.280 -14.181 8.941 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.092 -13.367 6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.622 -14.703 7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.254 -16.052 6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.231 -14.677 6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.030 -14.339 4.272 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.394 -15.172 4.863 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.133 -16.596 4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.419 -16.560 4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.588 -18.014 3.357 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.873 -18.293 2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.725 -18.991 2.430 1.00 0.00 H new ATOM 245 N GLY A 17 1.394 -11.375 8.793 1.00 0.00 N ATOM 246 CA GLY A 17 2.411 -10.558 9.445 1.00 0.00 C ATOM 247 C GLY A 17 2.971 -9.392 8.621 1.00 0.00 C ATOM 248 O GLY A 17 3.719 -8.582 9.174 1.00 0.00 O ATOM 0 H GLY A 17 0.784 -10.846 8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.989 -10.156 10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.240 -11.206 9.730 1.00 0.00 H new ATOM 252 N ALA A 18 2.630 -9.273 7.336 1.00 0.00 N ATOM 253 CA ALA A 18 3.108 -8.231 6.423 1.00 0.00 C ATOM 254 C ALA A 18 2.520 -6.819 6.690 1.00 0.00 C ATOM 255 O ALA A 18 1.823 -6.620 7.688 1.00 0.00 O ATOM 256 CB ALA A 18 2.913 -8.756 4.994 1.00 0.00 C ATOM 0 H ALA A 18 1.988 -9.925 6.885 1.00 0.00 H new ATOM 0 HA ALA A 18 4.168 -8.048 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.258 -8.007 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.486 -9.674 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.856 -8.961 4.823 1.00 0.00 H new ATOM 262 N LYS A 19 2.765 -5.814 5.829 1.00 0.00 N ATOM 263 CA LYS A 19 2.280 -4.426 5.986 1.00 0.00 C ATOM 264 C LYS A 19 1.750 -3.816 4.679 1.00 0.00 C ATOM 265 O LYS A 19 2.026 -4.337 3.600 1.00 0.00 O ATOM 266 CB LYS A 19 3.459 -3.589 6.537 1.00 0.00 C ATOM 267 CG LYS A 19 3.261 -3.157 7.991 1.00 0.00 C ATOM 268 CD LYS A 19 2.265 -2.010 8.095 1.00 0.00 C ATOM 269 CE LYS A 19 1.990 -1.502 9.516 1.00 0.00 C ATOM 270 NZ LYS A 19 1.249 -2.483 10.329 1.00 0.00 N ATOM 0 H LYS A 19 3.319 -5.946 4.983 1.00 0.00 H new ATOM 0 HA LYS A 19 1.431 -4.425 6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.377 -4.171 6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.589 -2.703 5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.907 -4.004 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.217 -2.851 8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.632 -1.177 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.321 -2.330 7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.936 -1.269 10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.421 -0.574 9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.087 -2.094 11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.334 -2.687 9.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.802 -3.361 10.403 1.00 0.00 H new ATOM 284 N LEU A 20 1.032 -2.686 4.737 1.00 0.00 N ATOM 285 CA LEU A 20 0.491 -2.015 3.548 1.00 0.00 C ATOM 286 C LEU A 20 0.800 -0.539 3.633 1.00 0.00 C ATOM 287 O LEU A 20 0.376 0.135 4.578 1.00 0.00 O ATOM 288 CB LEU A 20 -1.027 -2.192 3.421 1.00 0.00 C ATOM 289 CG LEU A 20 -1.593 -2.136 1.981 1.00 0.00 C ATOM 290 CD1 LEU A 20 -0.906 -3.069 0.993 1.00 0.00 C ATOM 291 CD2 LEU A 20 -3.082 -2.487 2.061 1.00 0.00 C ATOM 0 H LEU A 20 0.810 -2.211 5.612 1.00 0.00 H new ATOM 0 HA LEU A 20 0.957 -2.468 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.300 -3.151 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.515 -1.418 4.014 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.415 -1.131 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.367 -2.963 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.152 -2.814 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.010 -4.099 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.517 -2.458 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.198 -3.487 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.592 -1.766 2.700 1.00 0.00 H new ATOM 303 N ILE A 21 1.565 -0.020 2.688 1.00 0.00 N ATOM 304 CA ILE A 21 1.916 1.388 2.686 1.00 0.00 C ATOM 305 C ILE A 21 1.094 2.026 1.580 1.00 0.00 C ATOM 306 O ILE A 21 0.812 1.401 0.561 1.00 0.00 O ATOM 307 CB ILE A 21 3.451 1.524 2.531 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.189 1.389 3.884 1.00 0.00 C ATOM 309 CG2 ILE A 21 3.869 2.866 1.905 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.766 0.188 4.742 1.00 0.00 C ATOM 0 H ILE A 21 1.955 -0.554 1.912 1.00 0.00 H new ATOM 0 HA ILE A 21 1.682 1.908 3.615 1.00 0.00 H new ATOM 0 HB ILE A 21 3.735 0.708 1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.259 1.318 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.029 2.301 4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.955 2.906 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.424 2.959 0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.524 3.685 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.341 0.182 5.668 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.704 0.263 4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.953 -0.735 4.193 1.00 0.00 H new ATOM 322 N ASP A 22 0.728 3.285 1.769 1.00 0.00 N ATOM 323 CA ASP A 22 -0.027 4.103 0.832 1.00 0.00 C ATOM 324 C ASP A 22 0.951 5.166 0.322 1.00 0.00 C ATOM 325 O ASP A 22 1.434 5.961 1.132 1.00 0.00 O ATOM 326 CB ASP A 22 -1.228 4.734 1.566 1.00 0.00 C ATOM 327 CG ASP A 22 -2.007 5.721 0.696 1.00 0.00 C ATOM 328 OD1 ASP A 22 -3.125 6.141 1.073 1.00 0.00 O ATOM 329 OD2 ASP A 22 -1.543 6.014 -0.425 1.00 0.00 O ATOM 0 H ASP A 22 0.962 3.789 2.624 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.429 3.529 -0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.900 3.943 1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.872 5.247 2.459 1.00 0.00 H new ATOM 334 N ILE A 23 1.317 5.112 -0.971 1.00 0.00 N ATOM 335 CA ILE A 23 2.237 6.059 -1.615 1.00 0.00 C ATOM 336 C ILE A 23 1.497 7.160 -2.404 1.00 0.00 C ATOM 337 O ILE A 23 2.174 7.909 -3.113 1.00 0.00 O ATOM 338 CB ILE A 23 3.296 5.359 -2.517 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.659 4.599 -3.707 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.310 4.535 -1.699 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.654 3.830 -4.584 1.00 0.00 C ATOM 0 H ILE A 23 0.973 4.393 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 23 2.772 6.538 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 23 3.888 6.146 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.921 3.898 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.123 5.314 -4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.027 4.067 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.838 5.191 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.783 3.764 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.117 3.330 -5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.379 4.525 -5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.174 3.087 -3.979 1.00 0.00 H new ATOM 353 N ARG A 24 0.158 7.249 -2.345 1.00 0.00 N ATOM 354 CA ARG A 24 -0.638 8.236 -3.068 1.00 0.00 C ATOM 355 C ARG A 24 -0.355 9.668 -2.612 1.00 0.00 C ATOM 356 O ARG A 24 0.593 10.294 -3.086 1.00 0.00 O ATOM 357 CB ARG A 24 -2.135 7.879 -2.951 1.00 0.00 C ATOM 358 CG ARG A 24 -2.527 6.556 -3.644 1.00 0.00 C ATOM 359 CD ARG A 24 -3.302 5.488 -2.840 1.00 0.00 C ATOM 360 NE ARG A 24 -3.994 6.001 -1.651 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.243 6.394 -1.425 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.135 6.362 -2.412 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.543 6.820 -0.205 1.00 0.00 N ATOM 0 H ARG A 24 -0.408 6.618 -1.778 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.349 8.201 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.400 7.816 -1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.725 8.689 -3.380 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.127 6.808 -4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.611 6.092 -4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.035 5.019 -3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.606 4.709 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.393 6.070 -0.830 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.859 6.037 -3.338 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.095 6.663 -2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.826 6.837 0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.491 7.130 0.008 1.00 0.00 H new ATOM 377 N ASP A 25 -1.193 10.221 -1.739 1.00 0.00 N ATOM 378 CA ASP A 25 -1.096 11.573 -1.214 1.00 0.00 C ATOM 379 C ASP A 25 -1.762 11.545 0.162 1.00 0.00 C ATOM 380 O ASP A 25 -2.743 10.825 0.357 1.00 0.00 O ATOM 381 CB ASP A 25 -1.802 12.556 -2.169 1.00 0.00 C ATOM 382 CG ASP A 25 -0.873 13.102 -3.257 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.096 14.039 -2.940 1.00 0.00 O ATOM 384 OD2 ASP A 25 -0.938 12.638 -4.421 1.00 0.00 O ATOM 0 H ASP A 25 -1.993 9.712 -1.363 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.062 11.908 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.648 12.054 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.206 13.388 -1.592 1.00 0.00 H new ATOM 389 N ALA A 26 -1.267 12.348 1.105 1.00 0.00 N ATOM 390 CA ALA A 26 -1.758 12.416 2.481 1.00 0.00 C ATOM 391 C ALA A 26 -3.268 12.637 2.622 1.00 0.00 C ATOM 392 O ALA A 26 -3.926 11.949 3.408 1.00 0.00 O ATOM 393 CB ALA A 26 -0.979 13.502 3.233 1.00 0.00 C ATOM 0 H ALA A 26 -0.492 12.987 0.927 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.585 11.433 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.337 13.561 4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.083 13.255 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.128 14.463 2.741 1.00 0.00 H new ATOM 399 N ASP A 27 -3.827 13.595 1.882 1.00 0.00 N ATOM 400 CA ASP A 27 -5.259 13.902 1.955 1.00 0.00 C ATOM 401 C ASP A 27 -6.146 12.789 1.394 1.00 0.00 C ATOM 402 O ASP A 27 -7.342 12.755 1.685 1.00 0.00 O ATOM 403 CB ASP A 27 -5.577 15.256 1.320 1.00 0.00 C ATOM 404 CG ASP A 27 -5.845 16.314 2.388 1.00 0.00 C ATOM 405 OD1 ASP A 27 -6.960 16.886 2.400 1.00 0.00 O ATOM 406 OD2 ASP A 27 -4.951 16.537 3.233 1.00 0.00 O ATOM 0 H ASP A 27 -3.309 14.175 1.222 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.500 13.967 3.016 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.744 15.571 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.447 15.161 0.671 1.00 0.00 H new ATOM 411 N GLU A 28 -5.591 11.872 0.598 1.00 0.00 N ATOM 412 CA GLU A 28 -6.358 10.771 0.026 1.00 0.00 C ATOM 413 C GLU A 28 -6.525 9.648 1.048 1.00 0.00 C ATOM 414 O GLU A 28 -7.442 8.838 0.915 1.00 0.00 O ATOM 415 CB GLU A 28 -5.699 10.274 -1.266 1.00 0.00 C ATOM 416 CG GLU A 28 -5.445 11.397 -2.293 1.00 0.00 C ATOM 417 CD GLU A 28 -6.695 12.130 -2.806 1.00 0.00 C ATOM 418 OE1 GLU A 28 -6.538 13.080 -3.619 1.00 0.00 O ATOM 419 OE2 GLU A 28 -7.833 11.797 -2.431 1.00 0.00 O ATOM 0 H GLU A 28 -4.605 11.874 0.335 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.355 11.130 -0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.751 9.794 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.334 9.513 -1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.776 12.130 -1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.921 10.970 -3.148 1.00 0.00 H new ATOM 426 N TYR A 29 -5.641 9.571 2.047 1.00 0.00 N ATOM 427 CA TYR A 29 -5.743 8.565 3.099 1.00 0.00 C ATOM 428 C TYR A 29 -6.860 8.993 4.056 1.00 0.00 C ATOM 429 O TYR A 29 -7.714 8.195 4.438 1.00 0.00 O ATOM 430 CB TYR A 29 -4.422 8.427 3.874 1.00 0.00 C ATOM 431 CG TYR A 29 -4.561 7.558 5.113 1.00 0.00 C ATOM 432 CD1 TYR A 29 -4.748 8.130 6.388 1.00 0.00 C ATOM 433 CD2 TYR A 29 -4.565 6.161 4.975 1.00 0.00 C ATOM 434 CE1 TYR A 29 -4.918 7.307 7.519 1.00 0.00 C ATOM 435 CE2 TYR A 29 -4.763 5.331 6.095 1.00 0.00 C ATOM 436 CZ TYR A 29 -4.914 5.900 7.377 1.00 0.00 C ATOM 437 OH TYR A 29 -5.086 5.085 8.453 1.00 0.00 O ATOM 0 H TYR A 29 -4.843 10.199 2.146 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.963 7.597 2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.663 8.000 3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.071 9.417 4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.761 9.204 6.498 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.415 5.719 4.001 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.051 7.751 8.495 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.799 4.259 5.973 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.055 4.149 8.163 1.00 0.00 H new ATOM 447 N LEU A 30 -6.846 10.280 4.415 1.00 0.00 N ATOM 448 CA LEU A 30 -7.754 10.972 5.322 1.00 0.00 C ATOM 449 C LEU A 30 -9.230 10.659 5.070 1.00 0.00 C ATOM 450 O LEU A 30 -9.953 10.300 6.003 1.00 0.00 O ATOM 451 CB LEU A 30 -7.446 12.479 5.208 1.00 0.00 C ATOM 452 CG LEU A 30 -7.998 13.389 6.324 1.00 0.00 C ATOM 453 CD1 LEU A 30 -7.343 14.773 6.198 1.00 0.00 C ATOM 454 CD2 LEU A 30 -9.521 13.556 6.264 1.00 0.00 C ATOM 0 H LEU A 30 -6.138 10.914 4.045 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.586 10.620 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.364 12.603 5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.838 12.835 4.255 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.762 12.916 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.724 15.428 6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.262 14.675 6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.578 15.199 5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.848 14.207 7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.801 13.999 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.998 12.581 6.366 1.00 0.00 H new ATOM 466 N ARG A 31 -9.673 10.804 3.820 1.00 0.00 N ATOM 467 CA ARG A 31 -11.058 10.576 3.405 1.00 0.00 C ATOM 468 C ARG A 31 -11.535 9.158 3.705 1.00 0.00 C ATOM 469 O ARG A 31 -12.453 8.956 4.504 1.00 0.00 O ATOM 470 CB ARG A 31 -11.235 10.960 1.924 1.00 0.00 C ATOM 471 CG ARG A 31 -10.985 12.464 1.747 1.00 0.00 C ATOM 472 CD ARG A 31 -11.525 13.030 0.431 1.00 0.00 C ATOM 473 NE ARG A 31 -10.771 12.573 -0.749 1.00 0.00 N ATOM 474 CZ ARG A 31 -11.152 12.764 -2.018 1.00 0.00 C ATOM 475 NH1 ARG A 31 -12.283 13.397 -2.309 1.00 0.00 N ATOM 476 NH2 ARG A 31 -10.398 12.327 -3.006 1.00 0.00 N ATOM 0 H ARG A 31 -9.066 11.089 3.052 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.700 11.225 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.541 10.391 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.241 10.707 1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.445 12.999 2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.913 12.653 1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.570 12.742 0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.497 14.119 0.473 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.896 12.075 -0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.879 13.748 -1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.556 13.532 -3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.523 11.843 -2.804 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.689 12.473 -3.973 1.00 0.00 H new ATOM 490 N GLU A 32 -10.976 8.184 3.002 1.00 0.00 N ATOM 491 CA GLU A 32 -11.276 6.768 3.138 1.00 0.00 C ATOM 492 C GLU A 32 -10.154 6.001 2.464 1.00 0.00 C ATOM 493 O GLU A 32 -9.829 6.285 1.310 1.00 0.00 O ATOM 494 CB GLU A 32 -12.626 6.370 2.501 1.00 0.00 C ATOM 495 CG GLU A 32 -12.905 6.884 1.076 1.00 0.00 C ATOM 496 CD GLU A 32 -14.356 6.653 0.641 1.00 0.00 C ATOM 497 OE1 GLU A 32 -15.188 7.589 0.749 1.00 0.00 O ATOM 498 OE2 GLU A 32 -14.674 5.537 0.159 1.00 0.00 O ATOM 0 H GLU A 32 -10.270 8.368 2.290 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.357 6.533 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.686 5.282 2.486 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.425 6.725 3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.680 7.949 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.236 6.384 0.376 1.00 0.00 H new ATOM 505 N HIS A 33 -9.577 5.027 3.161 1.00 0.00 N ATOM 506 CA HIS A 33 -8.505 4.202 2.630 1.00 0.00 C ATOM 507 C HIS A 33 -8.681 2.770 3.153 1.00 0.00 C ATOM 508 O HIS A 33 -9.818 2.311 3.238 1.00 0.00 O ATOM 509 CB HIS A 33 -7.148 4.861 2.914 1.00 0.00 C ATOM 510 CG HIS A 33 -6.032 4.152 2.199 1.00 0.00 C ATOM 511 ND1 HIS A 33 -4.979 3.497 2.797 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.029 3.829 0.868 1.00 0.00 C ATOM 513 CE1 HIS A 33 -4.375 2.773 1.844 1.00 0.00 C ATOM 514 NE2 HIS A 33 -4.974 2.948 0.657 1.00 0.00 N ATOM 0 H HIS A 33 -9.844 4.789 4.116 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.544 4.124 1.543 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.177 5.905 2.602 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.956 4.854 3.987 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -4.709 3.552 3.779 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -6.719 4.192 0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.520 2.134 2.010 1.00 0.00 H new ATOM 522 N ILE A 34 -7.613 2.041 3.484 1.00 0.00 N ATOM 523 CA ILE A 34 -7.637 0.666 3.982 1.00 0.00 C ATOM 524 C ILE A 34 -7.194 0.683 5.453 1.00 0.00 C ATOM 525 O ILE A 34 -6.249 1.400 5.775 1.00 0.00 O ATOM 526 CB ILE A 34 -6.710 -0.204 3.105 1.00 0.00 C ATOM 527 CG1 ILE A 34 -7.234 -0.251 1.654 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.574 -1.641 3.647 1.00 0.00 C ATOM 529 CD1 ILE A 34 -6.168 -0.793 0.711 1.00 0.00 C ATOM 0 H ILE A 34 -6.665 2.411 3.408 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.638 0.237 3.928 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.723 0.259 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.123 -0.879 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.532 0.749 1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.913 -2.214 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.157 -1.612 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.556 -2.114 3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.560 -0.817 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.289 -0.149 0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.891 -1.802 1.017 1.00 0.00 H new ATOM 541 N PRO A 35 -7.822 -0.119 6.337 1.00 0.00 N ATOM 542 CA PRO A 35 -7.492 -0.182 7.765 1.00 0.00 C ATOM 543 C PRO A 35 -6.156 -0.881 8.017 1.00 0.00 C ATOM 544 O PRO A 35 -5.446 -0.592 8.972 1.00 0.00 O ATOM 545 CB PRO A 35 -8.627 -0.986 8.406 1.00 0.00 C ATOM 546 CG PRO A 35 -9.149 -1.862 7.271 1.00 0.00 C ATOM 547 CD PRO A 35 -8.937 -1.002 6.040 1.00 0.00 C ATOM 0 HA PRO A 35 -7.394 0.821 8.181 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.267 -1.588 9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.407 -0.333 8.797 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.601 -2.802 7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.200 -2.115 7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.720 -1.620 5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.835 -0.428 5.809 1.00 0.00 H new ATOM 555 N GLU A 36 -5.816 -1.836 7.160 1.00 0.00 N ATOM 556 CA GLU A 36 -4.584 -2.607 7.211 1.00 0.00 C ATOM 557 C GLU A 36 -3.381 -1.777 6.735 1.00 0.00 C ATOM 558 O GLU A 36 -2.260 -2.292 6.784 1.00 0.00 O ATOM 559 CB GLU A 36 -4.741 -3.888 6.375 1.00 0.00 C ATOM 560 CG GLU A 36 -5.800 -4.860 6.912 1.00 0.00 C ATOM 561 CD GLU A 36 -5.299 -5.650 8.127 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.181 -6.887 8.029 1.00 0.00 O ATOM 563 OE2 GLU A 36 -5.044 -5.051 9.204 1.00 0.00 O ATOM 0 H GLU A 36 -6.416 -2.104 6.380 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.390 -2.884 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.001 -3.613 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.780 -4.401 6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.696 -4.303 7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.087 -5.555 6.122 1.00 0.00 H new ATOM 570 N ALA A 37 -3.596 -0.548 6.238 1.00 0.00 N ATOM 571 CA ALA A 37 -2.542 0.341 5.774 1.00 0.00 C ATOM 572 C ALA A 37 -2.333 1.488 6.749 1.00 0.00 C ATOM 573 O ALA A 37 -3.076 1.650 7.717 1.00 0.00 O ATOM 574 CB ALA A 37 -2.862 0.929 4.389 1.00 0.00 C ATOM 0 H ALA A 37 -4.529 -0.146 6.150 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.635 -0.259 5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.051 1.587 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.971 0.120 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.791 1.497 4.441 1.00 0.00 H new ATOM 580 N ASP A 38 -1.274 2.262 6.510 1.00 0.00 N ATOM 581 CA ASP A 38 -0.957 3.421 7.308 1.00 0.00 C ATOM 582 C ASP A 38 -0.910 4.542 6.277 1.00 0.00 C ATOM 583 O ASP A 38 -1.899 4.795 5.601 1.00 0.00 O ATOM 584 CB ASP A 38 0.321 3.155 8.111 1.00 0.00 C ATOM 585 CG ASP A 38 0.667 4.248 9.123 1.00 0.00 C ATOM 586 OD1 ASP A 38 0.521 3.998 10.342 1.00 0.00 O ATOM 587 OD2 ASP A 38 1.226 5.282 8.714 1.00 0.00 O ATOM 0 H ASP A 38 -0.615 2.092 5.750 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.670 3.688 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.214 2.208 8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.154 3.041 7.418 1.00 0.00 H new ATOM 592 N LEU A 39 0.253 5.130 6.063 1.00 0.00 N ATOM 593 CA LEU A 39 0.491 6.242 5.149 1.00 0.00 C ATOM 594 C LEU A 39 1.989 6.504 5.037 1.00 0.00 C ATOM 595 O LEU A 39 2.694 6.543 6.047 1.00 0.00 O ATOM 596 CB LEU A 39 -0.215 7.501 5.706 1.00 0.00 C ATOM 597 CG LEU A 39 0.031 8.799 4.917 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.444 8.693 3.461 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.681 9.973 5.600 1.00 0.00 C ATOM 0 H LEU A 39 1.102 4.833 6.544 1.00 0.00 H new ATOM 0 HA LEU A 39 0.098 6.000 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.288 7.312 5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.110 7.654 6.735 1.00 0.00 H new ATOM 0 HG LEU A 39 1.108 8.969 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.249 9.633 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.093 7.887 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.513 8.483 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.501 10.887 5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.752 9.776 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.297 10.092 6.613 1.00 0.00 H new ATOM 611 N ALA A 40 2.491 6.673 3.815 1.00 0.00 N ATOM 612 CA ALA A 40 3.894 6.953 3.526 1.00 0.00 C ATOM 613 C ALA A 40 3.951 7.391 2.050 1.00 0.00 C ATOM 614 O ALA A 40 4.353 6.589 1.201 1.00 0.00 O ATOM 615 CB ALA A 40 4.760 5.723 3.880 1.00 0.00 C ATOM 0 H ALA A 40 1.915 6.617 2.975 1.00 0.00 H new ATOM 0 HA ALA A 40 4.310 7.757 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.806 5.939 3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.650 5.494 4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.435 4.867 3.288 1.00 0.00 H new ATOM 621 N PRO A 41 3.509 8.628 1.732 1.00 0.00 N ATOM 622 CA PRO A 41 3.483 9.133 0.368 1.00 0.00 C ATOM 623 C PRO A 41 4.894 9.173 -0.199 1.00 0.00 C ATOM 624 O PRO A 41 5.853 9.503 0.504 1.00 0.00 O ATOM 625 CB PRO A 41 2.775 10.489 0.402 1.00 0.00 C ATOM 626 CG PRO A 41 2.941 10.947 1.846 1.00 0.00 C ATOM 627 CD PRO A 41 3.037 9.652 2.651 1.00 0.00 C ATOM 0 HA PRO A 41 2.928 8.482 -0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.226 11.194 -0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.724 10.399 0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.836 11.557 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.095 11.553 2.170 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.724 9.767 3.490 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.067 9.382 3.068 1.00 0.00 H new ATOM 635 N LEU A 42 5.009 8.884 -1.496 1.00 0.00 N ATOM 636 CA LEU A 42 6.292 8.847 -2.186 1.00 0.00 C ATOM 637 C LEU A 42 7.107 10.113 -1.962 1.00 0.00 C ATOM 638 O LEU A 42 8.294 10.034 -1.668 1.00 0.00 O ATOM 639 CB LEU A 42 6.102 8.633 -3.689 1.00 0.00 C ATOM 640 CG LEU A 42 7.152 7.754 -4.398 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.448 7.457 -3.635 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.529 6.420 -4.786 1.00 0.00 C ATOM 0 H LEU A 42 4.212 8.669 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 42 6.842 8.007 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.120 8.187 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.091 9.609 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 42 7.450 8.362 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.096 6.830 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.959 8.393 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.213 6.937 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.274 5.802 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.176 5.909 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.689 6.593 -5.459 1.00 0.00 H new ATOM 654 N SER A 43 6.463 11.273 -2.064 1.00 0.00 N ATOM 655 CA SER A 43 7.097 12.567 -1.889 1.00 0.00 C ATOM 656 C SER A 43 7.818 12.693 -0.538 1.00 0.00 C ATOM 657 O SER A 43 8.844 13.362 -0.471 1.00 0.00 O ATOM 658 CB SER A 43 6.022 13.643 -2.071 1.00 0.00 C ATOM 659 OG SER A 43 5.266 13.376 -3.247 1.00 0.00 O ATOM 0 H SER A 43 5.467 11.336 -2.275 1.00 0.00 H new ATOM 0 HA SER A 43 7.880 12.692 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.364 13.664 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.487 14.626 -2.142 1.00 0.00 H new ATOM 0 HG SER A 43 4.579 14.066 -3.358 1.00 0.00 H new ATOM 665 N VAL A 44 7.330 12.066 0.534 1.00 0.00 N ATOM 666 CA VAL A 44 7.969 12.149 1.855 1.00 0.00 C ATOM 667 C VAL A 44 9.087 11.104 1.954 1.00 0.00 C ATOM 668 O VAL A 44 10.118 11.336 2.590 1.00 0.00 O ATOM 669 CB VAL A 44 6.907 11.964 2.963 1.00 0.00 C ATOM 670 CG1 VAL A 44 7.513 11.978 4.375 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.850 13.078 2.927 1.00 0.00 C ATOM 0 H VAL A 44 6.488 11.490 0.515 1.00 0.00 H new ATOM 0 HA VAL A 44 8.419 13.132 1.990 1.00 0.00 H new ATOM 0 HB VAL A 44 6.459 10.991 2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.721 11.844 5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.237 11.168 4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.012 12.932 4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.121 12.914 3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.334 14.044 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.344 13.068 1.962 1.00 0.00 H new ATOM 681 N LEU A 45 8.887 9.949 1.323 1.00 0.00 N ATOM 682 CA LEU A 45 9.806 8.818 1.288 1.00 0.00 C ATOM 683 C LEU A 45 11.065 9.173 0.517 1.00 0.00 C ATOM 684 O LEU A 45 12.173 8.893 0.971 1.00 0.00 O ATOM 685 CB LEU A 45 9.060 7.643 0.652 1.00 0.00 C ATOM 686 CG LEU A 45 8.238 6.821 1.665 1.00 0.00 C ATOM 687 CD1 LEU A 45 9.113 5.703 2.222 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.616 7.592 2.841 1.00 0.00 C ATOM 0 H LEU A 45 8.033 9.769 0.795 1.00 0.00 H new ATOM 0 HA LEU A 45 10.129 8.548 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.394 8.022 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.780 6.987 0.162 1.00 0.00 H new ATOM 0 HG LEU A 45 7.386 6.455 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.540 5.116 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.443 5.059 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.983 6.134 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.065 6.901 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.406 8.070 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.936 8.353 2.458 1.00 0.00 H new ATOM 700 N GLU A 46 10.892 9.819 -0.628 1.00 0.00 N ATOM 701 CA GLU A 46 11.967 10.273 -1.491 1.00 0.00 C ATOM 702 C GLU A 46 12.866 11.265 -0.745 1.00 0.00 C ATOM 703 O GLU A 46 14.054 11.379 -1.049 1.00 0.00 O ATOM 704 CB GLU A 46 11.351 10.985 -2.701 1.00 0.00 C ATOM 705 CG GLU A 46 11.086 9.961 -3.803 1.00 0.00 C ATOM 706 CD GLU A 46 12.238 9.856 -4.800 1.00 0.00 C ATOM 707 OE1 GLU A 46 12.649 8.708 -5.079 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.699 10.887 -5.344 1.00 0.00 O ATOM 0 H GLU A 46 9.967 10.048 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 46 12.563 9.416 -1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.422 11.478 -2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.025 11.761 -3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.912 8.984 -3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.174 10.234 -4.335 1.00 0.00 H new ATOM 715 N GLN A 47 12.277 12.015 0.190 1.00 0.00 N ATOM 716 CA GLN A 47 12.936 13.018 1.001 1.00 0.00 C ATOM 717 C GLN A 47 13.557 12.387 2.249 1.00 0.00 C ATOM 718 O GLN A 47 14.750 12.085 2.266 1.00 0.00 O ATOM 719 CB GLN A 47 11.930 14.136 1.345 1.00 0.00 C ATOM 720 CG GLN A 47 11.519 15.006 0.143 1.00 0.00 C ATOM 721 CD GLN A 47 10.500 16.080 0.544 1.00 0.00 C ATOM 722 OE1 GLN A 47 9.439 16.259 -0.056 1.00 0.00 O ATOM 723 NE2 GLN A 47 10.781 16.838 1.590 1.00 0.00 N ATOM 0 H GLN A 47 11.284 11.929 0.405 1.00 0.00 H new ATOM 0 HA GLN A 47 13.758 13.464 0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.036 13.685 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.365 14.777 2.112 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.403 15.483 -0.281 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.094 14.373 -0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.655 16.703 2.098 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.124 17.558 1.889 1.00 0.00 H new ATOM 732 N SER A 48 12.750 12.223 3.297 1.00 0.00 N ATOM 733 CA SER A 48 13.127 11.676 4.584 1.00 0.00 C ATOM 734 C SER A 48 13.382 10.172 4.518 1.00 0.00 C ATOM 735 O SER A 48 14.502 9.731 4.777 1.00 0.00 O ATOM 736 CB SER A 48 12.023 12.045 5.589 1.00 0.00 C ATOM 737 OG SER A 48 12.353 11.667 6.910 1.00 0.00 O ATOM 0 H SER A 48 11.765 12.485 3.261 1.00 0.00 H new ATOM 0 HA SER A 48 14.075 12.105 4.909 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.847 13.120 5.554 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.092 11.560 5.297 1.00 0.00 H new ATOM 0 HG SER A 48 11.625 11.922 7.515 1.00 0.00 H new ATOM 743 N GLY A 49 12.354 9.397 4.177 1.00 0.00 N ATOM 744 CA GLY A 49 12.406 7.943 4.100 1.00 0.00 C ATOM 745 C GLY A 49 11.213 7.350 4.848 1.00 0.00 C ATOM 746 O GLY A 49 10.285 8.068 5.246 1.00 0.00 O ATOM 0 H GLY A 49 11.437 9.777 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.391 7.623 3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.338 7.578 4.533 1.00 0.00 H new ATOM 750 N LEU A 50 11.198 6.028 4.991 1.00 0.00 N ATOM 751 CA LEU A 50 10.140 5.271 5.656 1.00 0.00 C ATOM 752 C LEU A 50 10.244 5.385 7.186 1.00 0.00 C ATOM 753 O LEU A 50 11.360 5.366 7.707 1.00 0.00 O ATOM 754 CB LEU A 50 10.330 3.806 5.237 1.00 0.00 C ATOM 755 CG LEU A 50 9.218 2.866 5.709 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.968 3.010 4.829 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.755 1.435 5.693 1.00 0.00 C ATOM 0 H LEU A 50 11.947 5.434 4.636 1.00 0.00 H new ATOM 0 HA LEU A 50 9.162 5.658 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.394 3.757 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.282 3.449 5.629 1.00 0.00 H new ATOM 0 HG LEU A 50 8.918 3.126 6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.192 2.332 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.604 4.036 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.219 2.765 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.976 0.750 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.060 1.172 4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.613 1.361 6.361 1.00 0.00 H new ATOM 769 N PRO A 51 9.134 5.470 7.945 1.00 0.00 N ATOM 770 CA PRO A 51 9.199 5.562 9.399 1.00 0.00 C ATOM 771 C PRO A 51 9.572 4.209 10.015 1.00 0.00 C ATOM 772 O PRO A 51 9.202 3.143 9.510 1.00 0.00 O ATOM 773 CB PRO A 51 7.791 5.961 9.846 1.00 0.00 C ATOM 774 CG PRO A 51 6.899 5.381 8.758 1.00 0.00 C ATOM 775 CD PRO A 51 7.749 5.511 7.498 1.00 0.00 C ATOM 0 HA PRO A 51 9.955 6.280 9.717 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.549 5.550 10.826 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.684 7.043 9.919 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.640 4.342 8.962 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.963 5.932 8.670 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.540 4.700 6.800 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.534 6.444 6.977 1.00 0.00 H new ATOM 783 N ALA A 52 10.197 4.244 11.197 1.00 0.00 N ATOM 784 CA ALA A 52 10.613 3.050 11.938 1.00 0.00 C ATOM 785 C ALA A 52 9.428 2.175 12.392 1.00 0.00 C ATOM 786 O ALA A 52 9.628 1.094 12.950 1.00 0.00 O ATOM 787 CB ALA A 52 11.447 3.481 13.150 1.00 0.00 C ATOM 0 H ALA A 52 10.431 5.116 11.672 1.00 0.00 H new ATOM 0 HA ALA A 52 11.206 2.434 11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.761 2.599 13.708 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.327 4.028 12.810 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.847 4.123 13.795 1.00 0.00 H new ATOM 793 N LYS A 53 8.189 2.628 12.189 1.00 0.00 N ATOM 794 CA LYS A 53 6.967 1.921 12.553 1.00 0.00 C ATOM 795 C LYS A 53 6.469 0.991 11.460 1.00 0.00 C ATOM 796 O LYS A 53 5.966 -0.088 11.755 1.00 0.00 O ATOM 797 CB LYS A 53 5.846 2.940 12.808 1.00 0.00 C ATOM 798 CG LYS A 53 6.186 4.053 13.807 1.00 0.00 C ATOM 799 CD LYS A 53 6.632 3.468 15.146 1.00 0.00 C ATOM 800 CE LYS A 53 6.746 4.564 16.196 1.00 0.00 C ATOM 801 NZ LYS A 53 7.299 4.032 17.453 1.00 0.00 N ATOM 0 H LYS A 53 8.006 3.531 11.750 1.00 0.00 H new ATOM 0 HA LYS A 53 7.208 1.331 13.437 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.572 3.399 11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.967 2.406 13.170 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.977 4.683 13.400 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.315 4.691 13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.918 2.713 15.476 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.593 2.967 15.029 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.384 5.365 15.823 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.764 4.999 16.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.367 4.798 18.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.675 3.284 17.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.245 3.638 17.277 1.00 0.00 H new ATOM 815 N LEU A 54 6.649 1.369 10.195 1.00 0.00 N ATOM 816 CA LEU A 54 6.158 0.590 9.060 1.00 0.00 C ATOM 817 C LEU A 54 7.156 -0.368 8.424 1.00 0.00 C ATOM 818 O LEU A 54 6.776 -1.134 7.544 1.00 0.00 O ATOM 819 CB LEU A 54 5.651 1.589 8.007 1.00 0.00 C ATOM 820 CG LEU A 54 4.504 2.492 8.495 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.089 3.461 7.384 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.298 1.672 8.953 1.00 0.00 C ATOM 0 H LEU A 54 7.139 2.223 9.929 1.00 0.00 H new ATOM 0 HA LEU A 54 5.376 -0.064 9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.483 2.217 7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.315 1.036 7.130 1.00 0.00 H new ATOM 0 HG LEU A 54 4.867 3.058 9.353 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.277 4.095 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.940 4.083 7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.754 2.896 6.514 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.508 2.343 9.290 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.931 1.069 8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.593 1.018 9.773 1.00 0.00 H new ATOM 834 N ARG A 55 8.417 -0.349 8.843 1.00 0.00 N ATOM 835 CA ARG A 55 9.522 -1.163 8.325 1.00 0.00 C ATOM 836 C ARG A 55 9.477 -2.655 8.652 1.00 0.00 C ATOM 837 O ARG A 55 10.524 -3.290 8.785 1.00 0.00 O ATOM 838 CB ARG A 55 10.849 -0.519 8.728 1.00 0.00 C ATOM 839 CG ARG A 55 11.080 -0.525 10.244 1.00 0.00 C ATOM 840 CD ARG A 55 12.547 -0.185 10.439 1.00 0.00 C ATOM 841 NE ARG A 55 12.914 0.017 11.845 1.00 0.00 N ATOM 842 CZ ARG A 55 14.058 0.566 12.263 1.00 0.00 C ATOM 843 NH1 ARG A 55 14.986 0.968 11.396 1.00 0.00 N ATOM 844 NH2 ARG A 55 14.268 0.713 13.565 1.00 0.00 N ATOM 0 H ARG A 55 8.717 0.269 9.597 1.00 0.00 H new ATOM 0 HA ARG A 55 9.411 -1.163 7.241 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.667 -1.048 8.239 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.873 0.509 8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.440 0.205 10.740 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.844 -1.499 10.672 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.157 -0.987 10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.781 0.719 9.876 1.00 0.00 H new ATOM 0 HE ARG A 55 12.247 -0.284 12.555 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.829 0.859 10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.853 1.385 11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.560 0.408 14.233 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.137 1.131 13.897 1.00 0.00 H new ATOM 858 N HIS A 56 8.278 -3.187 8.830 1.00 0.00 N ATOM 859 CA HIS A 56 8.049 -4.595 9.143 1.00 0.00 C ATOM 860 C HIS A 56 8.727 -5.515 8.115 1.00 0.00 C ATOM 861 O HIS A 56 9.080 -5.093 7.014 1.00 0.00 O ATOM 862 CB HIS A 56 6.551 -4.914 9.283 1.00 0.00 C ATOM 863 CG HIS A 56 6.277 -5.886 10.414 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.042 -5.564 11.738 1.00 0.00 N ATOM 865 CD2 HIS A 56 6.212 -7.251 10.311 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.834 -6.710 12.406 1.00 0.00 C ATOM 867 NE2 HIS A 56 5.954 -7.765 11.584 1.00 0.00 N ATOM 0 H HIS A 56 7.417 -2.644 8.760 1.00 0.00 H new ATOM 0 HA HIS A 56 8.509 -4.789 10.112 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.999 -3.990 9.458 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.181 -5.334 8.347 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.338 -7.827 9.406 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.602 -6.774 13.459 1.00 0.00 H new ATOM 0 HE2 HIS A 56 5.873 -8.749 11.839 1.00 0.00 H new ATOM 875 N GLU A 57 8.820 -6.796 8.472 1.00 0.00 N ATOM 876 CA GLU A 57 9.435 -7.890 7.722 1.00 0.00 C ATOM 877 C GLU A 57 9.119 -7.917 6.225 1.00 0.00 C ATOM 878 O GLU A 57 10.023 -8.151 5.419 1.00 0.00 O ATOM 879 CB GLU A 57 9.036 -9.234 8.351 1.00 0.00 C ATOM 880 CG GLU A 57 9.485 -9.358 9.810 1.00 0.00 C ATOM 881 CD GLU A 57 9.033 -10.657 10.480 1.00 0.00 C ATOM 882 OE1 GLU A 57 9.032 -10.680 11.733 1.00 0.00 O ATOM 883 OE2 GLU A 57 8.718 -11.665 9.807 1.00 0.00 O ATOM 0 H GLU A 57 8.438 -7.120 9.361 1.00 0.00 H new ATOM 0 HA GLU A 57 10.509 -7.716 7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.953 -9.349 8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.472 -10.047 7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.572 -9.295 9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.094 -8.512 10.375 1.00 0.00 H new ATOM 890 N GLN A 58 7.850 -7.732 5.859 1.00 0.00 N ATOM 891 CA GLN A 58 7.349 -7.725 4.491 1.00 0.00 C ATOM 892 C GLN A 58 6.303 -6.629 4.398 1.00 0.00 C ATOM 893 O GLN A 58 5.545 -6.431 5.352 1.00 0.00 O ATOM 894 CB GLN A 58 6.718 -9.081 4.132 1.00 0.00 C ATOM 895 CG GLN A 58 7.715 -10.254 4.091 1.00 0.00 C ATOM 896 CD GLN A 58 7.593 -11.234 5.254 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.504 -11.609 5.673 1.00 0.00 O ATOM 898 NE2 GLN A 58 8.712 -11.712 5.768 1.00 0.00 N ATOM 0 H GLN A 58 7.111 -7.576 6.544 1.00 0.00 H new ATOM 0 HA GLN A 58 8.167 -7.547 3.793 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.937 -9.309 4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.234 -8.997 3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.575 -10.799 3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.728 -9.852 4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.613 -11.394 5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.675 -12.400 6.521 1.00 0.00 H new ATOM 907 N ILE A 59 6.265 -5.918 3.272 1.00 0.00 N ATOM 908 CA ILE A 59 5.334 -4.834 3.018 1.00 0.00 C ATOM 909 C ILE A 59 4.866 -4.909 1.544 1.00 0.00 C ATOM 910 O ILE A 59 5.465 -5.592 0.707 1.00 0.00 O ATOM 911 CB ILE A 59 5.957 -3.479 3.423 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.702 -2.856 2.227 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.851 -3.556 4.687 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.180 -1.450 2.506 1.00 0.00 C ATOM 0 H ILE A 59 6.901 -6.090 2.493 1.00 0.00 H new ATOM 0 HA ILE A 59 4.442 -4.932 3.637 1.00 0.00 H new ATOM 0 HB ILE A 59 5.132 -2.824 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.557 -3.482 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.043 -2.846 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.253 -2.567 4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.257 -3.905 5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.673 -4.250 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.698 -1.061 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.325 -0.814 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.863 -1.460 3.356 1.00 0.00 H new ATOM 926 N ILE A 60 3.817 -4.164 1.193 1.00 0.00 N ATOM 927 CA ILE A 60 3.236 -4.082 -0.151 1.00 0.00 C ATOM 928 C ILE A 60 2.966 -2.590 -0.420 1.00 0.00 C ATOM 929 O ILE A 60 2.680 -1.831 0.516 1.00 0.00 O ATOM 930 CB ILE A 60 1.926 -4.919 -0.236 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.062 -6.431 0.074 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.215 -4.800 -1.598 1.00 0.00 C ATOM 933 CD1 ILE A 60 0.940 -6.942 0.993 1.00 0.00 C ATOM 0 H ILE A 60 3.327 -3.575 1.866 1.00 0.00 H new ATOM 0 HA ILE A 60 3.913 -4.492 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 60 1.335 -4.463 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.048 -6.994 -0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.027 -6.618 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.310 -5.407 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.951 -3.758 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.880 -5.150 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.080 -8.007 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.969 -6.400 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.025 -6.782 0.512 1.00 0.00 H new ATOM 945 N PHE A 61 3.052 -2.175 -1.688 1.00 0.00 N ATOM 946 CA PHE A 61 2.805 -0.818 -2.156 1.00 0.00 C ATOM 947 C PHE A 61 1.625 -0.869 -3.135 1.00 0.00 C ATOM 948 O PHE A 61 1.506 -1.831 -3.900 1.00 0.00 O ATOM 949 CB PHE A 61 4.050 -0.224 -2.845 1.00 0.00 C ATOM 950 CG PHE A 61 5.287 -0.003 -1.990 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.176 0.704 -0.781 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.561 -0.429 -2.429 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.321 0.983 -0.020 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.710 -0.134 -1.669 1.00 0.00 C ATOM 955 CZ PHE A 61 7.585 0.589 -0.475 1.00 0.00 C ATOM 0 H PHE A 61 3.307 -2.808 -2.446 1.00 0.00 H new ATOM 0 HA PHE A 61 2.574 -0.174 -1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.324 -0.882 -3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.768 0.734 -3.282 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.207 1.033 -0.437 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.654 -0.983 -3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.227 1.504 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.682 -0.463 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.466 0.843 0.096 1.00 0.00 H new ATOM 965 N HIS A 62 0.761 0.149 -3.138 1.00 0.00 N ATOM 966 CA HIS A 62 -0.411 0.239 -4.002 1.00 0.00 C ATOM 967 C HIS A 62 -0.745 1.719 -4.278 1.00 0.00 C ATOM 968 O HIS A 62 -0.393 2.594 -3.478 1.00 0.00 O ATOM 969 CB HIS A 62 -1.573 -0.517 -3.310 1.00 0.00 C ATOM 970 CG HIS A 62 -2.058 0.045 -2.001 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.742 1.274 -1.471 1.00 0.00 N ATOM 972 CD2 HIS A 62 -2.844 -0.615 -1.094 1.00 0.00 C ATOM 973 CE1 HIS A 62 -2.306 1.352 -0.265 1.00 0.00 C ATOM 974 NE2 HIS A 62 -2.983 0.230 0.010 1.00 0.00 N ATOM 0 H HIS A 62 0.863 0.955 -2.521 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.227 -0.223 -4.972 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.416 -0.550 -4.000 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.257 -1.547 -3.143 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -1.178 1.996 -1.919 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.274 -1.599 -1.210 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.228 2.201 0.397 1.00 0.00 H new ATOM 982 N CYS A 63 -1.456 2.014 -5.367 1.00 0.00 N ATOM 983 CA CYS A 63 -1.864 3.365 -5.753 1.00 0.00 C ATOM 984 C CYS A 63 -3.394 3.483 -5.703 1.00 0.00 C ATOM 985 O CYS A 63 -4.078 2.618 -5.156 1.00 0.00 O ATOM 986 CB CYS A 63 -1.264 3.729 -7.117 1.00 0.00 C ATOM 987 SG CYS A 63 0.533 3.893 -6.944 1.00 0.00 S ATOM 0 H CYS A 63 -1.773 1.300 -6.023 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.473 4.094 -5.043 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.503 2.960 -7.851 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.694 4.662 -7.481 1.00 0.00 H new ATOM 0 HG CYS A 63 1.054 4.199 -8.095 1.00 0.00 H new ATOM 993 N GLN A 64 -3.954 4.590 -6.196 1.00 0.00 N ATOM 994 CA GLN A 64 -5.393 4.822 -6.207 1.00 0.00 C ATOM 995 C GLN A 64 -6.056 3.885 -7.224 1.00 0.00 C ATOM 996 O GLN A 64 -6.971 3.138 -6.884 1.00 0.00 O ATOM 997 CB GLN A 64 -5.644 6.307 -6.487 1.00 0.00 C ATOM 998 CG GLN A 64 -7.122 6.702 -6.463 1.00 0.00 C ATOM 999 CD GLN A 64 -7.282 8.213 -6.620 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -6.414 8.903 -7.152 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -8.390 8.755 -6.160 1.00 0.00 N ATOM 0 H GLN A 64 -3.414 5.354 -6.601 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.843 4.593 -5.241 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.107 6.902 -5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.227 6.558 -7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.653 6.190 -7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.574 6.379 -5.525 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.100 8.169 -5.721 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.538 9.761 -6.242 1.00 0.00 H new ATOM 1087 N SER A 70 6.417 0.170 -9.881 1.00 0.00 N ATOM 1088 CA SER A 70 7.523 -0.512 -10.545 1.00 0.00 C ATOM 1089 C SER A 70 8.438 0.424 -11.369 1.00 0.00 C ATOM 1090 O SER A 70 9.434 -0.053 -11.924 1.00 0.00 O ATOM 1091 CB SER A 70 7.012 -1.738 -11.329 1.00 0.00 C ATOM 1092 OG SER A 70 7.684 -2.910 -10.897 1.00 0.00 O ATOM 0 HA SER A 70 8.187 -0.882 -9.764 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.938 -1.851 -11.182 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.174 -1.590 -12.397 1.00 0.00 H new ATOM 0 HG SER A 70 7.351 -3.682 -11.400 1.00 0.00 H new ATOM 1098 N ASN A 71 8.174 1.738 -11.442 1.00 0.00 N ATOM 1099 CA ASN A 71 9.004 2.690 -12.188 1.00 0.00 C ATOM 1100 C ASN A 71 10.234 3.074 -11.367 1.00 0.00 C ATOM 1101 O ASN A 71 11.338 3.120 -11.903 1.00 0.00 O ATOM 1102 CB ASN A 71 8.211 3.918 -12.680 1.00 0.00 C ATOM 1103 CG ASN A 71 8.288 5.158 -11.790 1.00 0.00 C ATOM 1104 OD1 ASN A 71 9.101 6.048 -12.009 1.00 0.00 O ATOM 1105 ND2 ASN A 71 7.438 5.264 -10.785 1.00 0.00 N ATOM 0 H ASN A 71 7.373 2.170 -10.981 1.00 0.00 H new ATOM 0 HA ASN A 71 9.347 2.193 -13.095 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.570 4.184 -13.674 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.164 3.633 -12.785 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.456 6.090 -10.187 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.763 4.520 -10.607 1.00 0.00 H new ATOM 1112 N ASN A 72 10.070 3.264 -10.053 1.00 0.00 N ATOM 1113 CA ASN A 72 11.152 3.625 -9.130 1.00 0.00 C ATOM 1114 C ASN A 72 11.455 2.456 -8.204 1.00 0.00 C ATOM 1115 O ASN A 72 11.859 2.649 -7.064 1.00 0.00 O ATOM 1116 CB ASN A 72 10.841 4.925 -8.364 1.00 0.00 C ATOM 1117 CG ASN A 72 10.900 6.131 -9.287 1.00 0.00 C ATOM 1118 OD1 ASN A 72 11.570 6.115 -10.314 1.00 0.00 O ATOM 1119 ND2 ASN A 72 10.203 7.192 -8.940 1.00 0.00 N ATOM 0 H ASN A 72 9.165 3.169 -9.593 1.00 0.00 H new ATOM 0 HA ASN A 72 12.052 3.832 -9.709 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.851 4.857 -7.912 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.555 5.051 -7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.213 8.024 -9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.653 7.182 -8.081 1.00 0.00 H new ATOM 1126 N ALA A 73 11.245 1.228 -8.678 1.00 0.00 N ATOM 1127 CA ALA A 73 11.477 -0.004 -7.949 1.00 0.00 C ATOM 1128 C ALA A 73 12.881 -0.079 -7.346 1.00 0.00 C ATOM 1129 O ALA A 73 13.028 -0.674 -6.289 1.00 0.00 O ATOM 1130 CB ALA A 73 11.237 -1.180 -8.900 1.00 0.00 C ATOM 0 H ALA A 73 10.893 1.065 -9.622 1.00 0.00 H new ATOM 0 HA ALA A 73 10.784 -0.042 -7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.407 -2.117 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.210 -1.150 -9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.923 -1.111 -9.744 1.00 0.00 H new ATOM 1136 N ASP A 74 13.873 0.559 -7.968 1.00 0.00 N ATOM 1137 CA ASP A 74 15.265 0.564 -7.514 1.00 0.00 C ATOM 1138 C ASP A 74 15.383 1.196 -6.126 1.00 0.00 C ATOM 1139 O ASP A 74 15.835 0.587 -5.156 1.00 0.00 O ATOM 1140 CB ASP A 74 16.138 1.304 -8.543 1.00 0.00 C ATOM 1141 CG ASP A 74 17.480 0.605 -8.678 1.00 0.00 C ATOM 1142 OD1 ASP A 74 18.455 1.001 -8.000 1.00 0.00 O ATOM 1143 OD2 ASP A 74 17.512 -0.385 -9.438 1.00 0.00 O ATOM 0 H ASP A 74 13.728 1.099 -8.821 1.00 0.00 H new ATOM 0 HA ASP A 74 15.619 -0.464 -7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.633 1.331 -9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.286 2.338 -8.231 1.00 0.00 H new ATOM 1148 N LYS A 75 14.955 2.454 -6.031 1.00 0.00 N ATOM 1149 CA LYS A 75 14.961 3.246 -4.806 1.00 0.00 C ATOM 1150 C LYS A 75 13.894 2.744 -3.862 1.00 0.00 C ATOM 1151 O LYS A 75 14.169 2.558 -2.687 1.00 0.00 O ATOM 1152 CB LYS A 75 14.861 4.737 -5.038 1.00 0.00 C ATOM 1153 CG LYS A 75 13.862 5.180 -6.045 1.00 0.00 C ATOM 1154 CD LYS A 75 14.327 4.967 -7.485 1.00 0.00 C ATOM 1155 CE LYS A 75 14.265 6.308 -8.209 1.00 0.00 C ATOM 1156 NZ LYS A 75 15.576 6.981 -8.259 1.00 0.00 N ATOM 0 H LYS A 75 14.583 2.965 -6.832 1.00 0.00 H new ATOM 0 HA LYS A 75 15.938 3.107 -4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 75 14.625 5.216 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.841 5.102 -5.344 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.930 4.637 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.645 6.237 -5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.343 4.572 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.692 4.235 -7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.900 6.153 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.546 6.956 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.482 7.887 -8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.914 7.154 -7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.258 6.377 -8.761 1.00 0.00 H new ATOM 1170 N LEU A 76 12.690 2.489 -4.375 1.00 0.00 N ATOM 1171 CA LEU A 76 11.587 1.986 -3.546 1.00 0.00 C ATOM 1172 C LEU A 76 12.020 0.729 -2.800 1.00 0.00 C ATOM 1173 O LEU A 76 11.800 0.643 -1.593 1.00 0.00 O ATOM 1174 CB LEU A 76 10.319 1.701 -4.360 1.00 0.00 C ATOM 1175 CG LEU A 76 9.555 2.968 -4.769 1.00 0.00 C ATOM 1176 CD1 LEU A 76 8.386 2.564 -5.667 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.961 3.691 -3.555 1.00 0.00 C ATOM 0 H LEU A 76 12.451 2.621 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 76 11.342 2.773 -2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.590 1.145 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.658 1.061 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 76 10.257 3.631 -5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.833 3.454 -5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.767 2.058 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.724 1.891 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.428 4.582 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.269 3.026 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.763 3.980 -2.875 1.00 0.00 H new ATOM 1189 N ALA A 77 12.622 -0.237 -3.506 1.00 0.00 N ATOM 1190 CA ALA A 77 13.101 -1.460 -2.863 1.00 0.00 C ATOM 1191 C ALA A 77 14.086 -1.094 -1.737 1.00 0.00 C ATOM 1192 O ALA A 77 13.942 -1.582 -0.620 1.00 0.00 O ATOM 1193 CB ALA A 77 13.791 -2.358 -3.886 1.00 0.00 C ATOM 0 H ALA A 77 12.786 -0.194 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 77 12.252 -1.999 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.143 -3.265 -3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.085 -2.622 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.639 -1.829 -4.322 1.00 0.00 H new ATOM 1199 N ALA A 78 15.071 -0.225 -2.014 1.00 0.00 N ATOM 1200 CA ALA A 78 16.077 0.181 -1.034 1.00 0.00 C ATOM 1201 C ALA A 78 15.528 0.970 0.163 1.00 0.00 C ATOM 1202 O ALA A 78 16.051 0.808 1.264 1.00 0.00 O ATOM 1203 CB ALA A 78 17.176 0.982 -1.734 1.00 0.00 C ATOM 0 H ALA A 78 15.188 0.214 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 78 16.474 -0.742 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.926 1.285 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.644 0.365 -2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.742 1.868 -2.197 1.00 0.00 H new ATOM 1209 N ILE A 79 14.520 1.827 -0.016 1.00 0.00 N ATOM 1210 CA ILE A 79 13.925 2.615 1.063 1.00 0.00 C ATOM 1211 C ILE A 79 13.203 1.676 2.039 1.00 0.00 C ATOM 1212 O ILE A 79 13.242 1.908 3.251 1.00 0.00 O ATOM 1213 CB ILE A 79 12.959 3.682 0.482 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.702 4.799 -0.283 1.00 0.00 C ATOM 1215 CG2 ILE A 79 12.159 4.371 1.600 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.788 5.636 -1.195 1.00 0.00 C ATOM 0 H ILE A 79 14.090 1.994 -0.926 1.00 0.00 H new ATOM 0 HA ILE A 79 14.708 3.144 1.607 1.00 0.00 H new ATOM 0 HB ILE A 79 12.304 3.138 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.187 5.460 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.491 4.351 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.490 5.114 1.164 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.573 3.627 2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.846 4.861 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.379 6.400 -1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.323 4.988 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 79 12.014 6.114 -0.595 1.00 0.00 H new ATOM 1228 N ALA A 80 12.529 0.650 1.512 1.00 0.00 N ATOM 1229 CA ALA A 80 11.784 -0.318 2.300 1.00 0.00 C ATOM 1230 C ALA A 80 12.663 -1.401 2.932 1.00 0.00 C ATOM 1231 O ALA A 80 12.296 -1.932 3.982 1.00 0.00 O ATOM 1232 CB ALA A 80 10.761 -0.984 1.383 1.00 0.00 C ATOM 0 H ALA A 80 12.489 0.472 0.509 1.00 0.00 H new ATOM 0 HA ALA A 80 11.314 0.220 3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.187 -1.717 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.087 -0.228 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.278 -1.483 0.563 1.00 0.00 H new ATOM 1238 N ALA A 81 13.787 -1.751 2.301 1.00 0.00 N ATOM 1239 CA ALA A 81 14.712 -2.772 2.772 1.00 0.00 C ATOM 1240 C ALA A 81 15.254 -2.435 4.171 1.00 0.00 C ATOM 1241 O ALA A 81 15.397 -1.244 4.470 1.00 0.00 O ATOM 1242 CB ALA A 81 15.868 -2.881 1.773 1.00 0.00 C ATOM 0 H ALA A 81 14.082 -1.318 1.426 1.00 0.00 H new ATOM 0 HA ALA A 81 14.184 -3.723 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.571 -3.642 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.478 -3.157 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.379 -1.921 1.702 1.00 0.00 H new ATOM 1248 N PRO A 82 15.671 -3.409 5.006 1.00 0.00 N ATOM 1249 CA PRO A 82 15.701 -4.860 4.808 1.00 0.00 C ATOM 1250 C PRO A 82 14.330 -5.486 5.106 1.00 0.00 C ATOM 1251 O PRO A 82 13.982 -5.796 6.251 1.00 0.00 O ATOM 1252 CB PRO A 82 16.783 -5.365 5.770 1.00 0.00 C ATOM 1253 CG PRO A 82 16.677 -4.398 6.948 1.00 0.00 C ATOM 1254 CD PRO A 82 16.301 -3.082 6.275 1.00 0.00 C ATOM 0 HA PRO A 82 15.924 -5.134 3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.601 -6.395 6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 82 17.773 -5.338 5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 82 15.920 -4.716 7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.618 -4.319 7.492 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.621 -2.509 6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.185 -2.465 6.117 1.00 0.00 H new ATOM 1262 N ALA A 83 13.513 -5.628 4.071 1.00 0.00 N ATOM 1263 CA ALA A 83 12.176 -6.182 4.099 1.00 0.00 C ATOM 1264 C ALA A 83 11.797 -6.544 2.674 1.00 0.00 C ATOM 1265 O ALA A 83 12.479 -6.151 1.724 1.00 0.00 O ATOM 1266 CB ALA A 83 11.186 -5.130 4.615 1.00 0.00 C ATOM 0 H ALA A 83 13.789 -5.339 3.132 1.00 0.00 H new ATOM 0 HA ALA A 83 12.146 -7.054 4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.182 -5.554 4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.470 -4.826 5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.201 -4.262 3.956 1.00 0.00 H new ATOM 1272 N GLU A 84 10.722 -7.301 2.526 1.00 0.00 N ATOM 1273 CA GLU A 84 10.224 -7.695 1.220 1.00 0.00 C ATOM 1274 C GLU A 84 9.244 -6.629 0.775 1.00 0.00 C ATOM 1275 O GLU A 84 8.514 -6.074 1.597 1.00 0.00 O ATOM 1276 CB GLU A 84 9.515 -9.045 1.265 1.00 0.00 C ATOM 1277 CG GLU A 84 10.499 -10.127 1.703 1.00 0.00 C ATOM 1278 CD GLU A 84 9.975 -11.538 1.462 1.00 0.00 C ATOM 1279 OE1 GLU A 84 10.029 -12.368 2.394 1.00 0.00 O ATOM 1280 OE2 GLU A 84 9.619 -11.858 0.304 1.00 0.00 O ATOM 0 H GLU A 84 10.172 -7.659 3.307 1.00 0.00 H new ATOM 0 HA GLU A 84 11.061 -7.793 0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.674 -9.002 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.108 -9.286 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.438 -9.997 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.720 -10.003 2.763 1.00 0.00 H new ATOM 1287 N ILE A 85 9.193 -6.390 -0.529 1.00 0.00 N ATOM 1288 CA ILE A 85 8.313 -5.408 -1.126 1.00 0.00 C ATOM 1289 C ILE A 85 7.539 -6.049 -2.271 1.00 0.00 C ATOM 1290 O ILE A 85 8.125 -6.716 -3.129 1.00 0.00 O ATOM 1291 CB ILE A 85 9.082 -4.151 -1.573 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.497 -4.393 -2.147 1.00 0.00 C ATOM 1293 CG2 ILE A 85 9.077 -3.098 -0.466 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.630 -4.482 -1.118 1.00 0.00 C ATOM 0 H ILE A 85 9.773 -6.883 -1.208 1.00 0.00 H new ATOM 0 HA ILE A 85 7.598 -5.071 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 85 8.530 -3.772 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.481 -5.319 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.728 -3.588 -2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.625 -2.217 -0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.049 -2.820 -0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.553 -3.505 0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.576 -4.653 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.686 -3.549 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.435 -5.307 -0.433 1.00 0.00 H new ATOM 1306 N PHE A 86 6.229 -5.818 -2.305 1.00 0.00 N ATOM 1307 CA PHE A 86 5.322 -6.328 -3.326 1.00 0.00 C ATOM 1308 C PHE A 86 4.500 -5.172 -3.895 1.00 0.00 C ATOM 1309 O PHE A 86 4.522 -4.064 -3.350 1.00 0.00 O ATOM 1310 CB PHE A 86 4.419 -7.423 -2.749 1.00 0.00 C ATOM 1311 CG PHE A 86 5.146 -8.657 -2.259 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.538 -8.751 -0.911 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.420 -9.718 -3.144 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.232 -9.884 -0.454 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.107 -10.855 -2.684 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.521 -10.934 -1.343 1.00 0.00 C ATOM 0 H PHE A 86 5.756 -5.253 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 86 5.901 -6.777 -4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.847 -7.003 -1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.701 -7.722 -3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.305 -7.950 -0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.103 -9.658 -4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.543 -9.948 0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.317 -11.669 -3.362 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.062 -11.802 -0.995 1.00 0.00 H new ATOM 1326 N LEU A 87 3.760 -5.436 -4.969 1.00 0.00 N ATOM 1327 CA LEU A 87 2.911 -4.494 -5.685 1.00 0.00 C ATOM 1328 C LEU A 87 1.532 -5.094 -5.910 1.00 0.00 C ATOM 1329 O LEU A 87 1.353 -6.311 -5.859 1.00 0.00 O ATOM 1330 CB LEU A 87 3.525 -4.197 -7.067 1.00 0.00 C ATOM 1331 CG LEU A 87 4.889 -3.502 -7.034 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.425 -3.312 -8.453 1.00 0.00 C ATOM 1333 CD2 LEU A 87 4.800 -2.142 -6.334 1.00 0.00 C ATOM 0 H LEU A 87 3.737 -6.367 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 87 2.831 -3.583 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.625 -5.135 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.830 -3.574 -7.630 1.00 0.00 H new ATOM 0 HG LEU A 87 5.572 -4.139 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.395 -2.817 -8.412 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.534 -4.284 -8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.729 -2.700 -9.026 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.783 -1.672 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.097 -1.503 -6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.456 -2.282 -5.309 1.00 0.00 H new ATOM 1345 N LEU A 88 0.562 -4.229 -6.187 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.819 -4.584 -6.470 1.00 0.00 C ATOM 1347 C LEU A 88 -0.989 -4.364 -7.974 1.00 0.00 C ATOM 1348 O LEU A 88 -0.470 -3.383 -8.511 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.744 -3.703 -5.612 1.00 0.00 C ATOM 1350 CG LEU A 88 -3.228 -4.120 -5.646 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.430 -5.527 -5.071 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -4.084 -3.134 -4.837 1.00 0.00 C ATOM 0 H LEU A 88 0.726 -3.223 -6.221 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.074 -5.614 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.395 -3.728 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.661 -2.671 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.537 -4.114 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.488 -5.788 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.857 -6.245 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.089 -5.549 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.128 -3.445 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.744 -3.122 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.988 -2.135 -5.262 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.684 -5.261 -8.674 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.898 -5.155 -10.122 1.00 0.00 C ATOM 1366 C GLU A 89 -2.684 -3.904 -10.526 1.00 0.00 C ATOM 1367 O GLU A 89 -2.649 -3.499 -11.686 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.643 -6.406 -10.618 1.00 0.00 C ATOM 1369 CG GLU A 89 -1.707 -7.551 -11.030 1.00 0.00 C ATOM 1370 CD GLU A 89 -0.797 -7.254 -12.221 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -1.101 -6.316 -12.991 1.00 0.00 O ATOM 1372 OE2 GLU A 89 0.191 -8.011 -12.378 1.00 0.00 O ATOM 0 H GLU A 89 -2.116 -6.084 -8.254 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.914 -5.076 -10.585 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.311 -6.758 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.268 -6.134 -11.469 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.084 -7.815 -10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.312 -8.426 -11.266 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.425 -3.312 -9.597 1.00 0.00 N ATOM 1380 CA ASP A 90 -4.251 -2.126 -9.763 1.00 0.00 C ATOM 1381 C ASP A 90 -4.178 -1.350 -8.450 1.00 0.00 C ATOM 1382 O ASP A 90 -3.326 -1.649 -7.612 1.00 0.00 O ATOM 1383 CB ASP A 90 -5.674 -2.587 -10.099 1.00 0.00 C ATOM 1384 CG ASP A 90 -6.631 -1.501 -10.589 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -6.230 -0.336 -10.816 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -7.811 -1.850 -10.819 1.00 0.00 O ATOM 0 H ASP A 90 -3.466 -3.674 -8.644 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.916 -1.475 -10.571 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.613 -3.362 -10.863 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.104 -3.049 -9.211 1.00 0.00 H new ATOM 1391 N GLY A 91 -4.987 -0.315 -8.260 1.00 0.00 N ATOM 1392 CA GLY A 91 -4.991 0.463 -7.030 1.00 0.00 C ATOM 1393 C GLY A 91 -6.063 -0.033 -6.061 1.00 0.00 C ATOM 1394 O GLY A 91 -6.619 -1.121 -6.237 1.00 0.00 O ATOM 0 H GLY A 91 -5.659 0.008 -8.956 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.012 0.401 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.166 1.513 -7.262 1.00 0.00 H new ATOM 1398 N ILE A 92 -6.386 0.786 -5.052 1.00 0.00 N ATOM 1399 CA ILE A 92 -7.388 0.517 -4.016 1.00 0.00 C ATOM 1400 C ILE A 92 -8.737 0.112 -4.623 1.00 0.00 C ATOM 1401 O ILE A 92 -9.540 -0.576 -3.990 1.00 0.00 O ATOM 1402 CB ILE A 92 -7.441 1.713 -3.039 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -8.016 1.323 -1.660 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -8.079 2.991 -3.608 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -9.513 1.536 -1.426 1.00 0.00 C ATOM 0 H ILE A 92 -5.936 1.693 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.099 -0.353 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.396 1.984 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.797 0.268 -1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.475 1.886 -0.900 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.070 3.772 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.513 3.324 -4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.108 2.784 -3.903 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.772 1.218 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.753 2.592 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -10.081 0.950 -2.148 1.00 0.00 H new ATOM 1417 N ASP A 93 -8.989 0.499 -5.875 1.00 0.00 N ATOM 1418 CA ASP A 93 -10.207 0.138 -6.602 1.00 0.00 C ATOM 1419 C ASP A 93 -10.382 -1.394 -6.586 1.00 0.00 C ATOM 1420 O ASP A 93 -11.490 -1.894 -6.382 1.00 0.00 O ATOM 1421 CB ASP A 93 -10.152 0.655 -8.040 1.00 0.00 C ATOM 1422 CG ASP A 93 -11.412 0.228 -8.789 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -12.490 0.823 -8.541 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -11.331 -0.710 -9.610 1.00 0.00 O ATOM 0 H ASP A 93 -8.347 1.077 -6.417 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.063 0.601 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.066 1.742 -8.043 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.268 0.264 -8.544 1.00 0.00 H new ATOM 1429 N GLY A 94 -9.283 -2.143 -6.746 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.263 -3.600 -6.751 1.00 0.00 C ATOM 1431 C GLY A 94 -9.290 -4.211 -5.349 1.00 0.00 C ATOM 1432 O GLY A 94 -9.697 -5.359 -5.202 1.00 0.00 O ATOM 0 H GLY A 94 -8.359 -1.733 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.120 -3.966 -7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.369 -3.942 -7.272 1.00 0.00 H new ATOM 1436 N TRP A 95 -8.893 -3.468 -4.311 1.00 0.00 N ATOM 1437 CA TRP A 95 -8.894 -3.959 -2.934 1.00 0.00 C ATOM 1438 C TRP A 95 -10.334 -4.306 -2.541 1.00 0.00 C ATOM 1439 O TRP A 95 -10.644 -5.436 -2.164 1.00 0.00 O ATOM 1440 CB TRP A 95 -8.285 -2.904 -2.002 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.247 -3.299 -0.563 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.242 -3.096 0.328 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.177 -3.962 0.174 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -8.868 -3.589 1.557 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.615 -4.166 1.517 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -5.866 -4.373 -0.147 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -6.812 -4.801 2.478 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.052 -5.008 0.809 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.525 -5.232 2.114 1.00 0.00 C ATOM 0 H TRP A 95 -8.562 -2.508 -4.405 1.00 0.00 H new ATOM 0 HA TRP A 95 -8.283 -4.858 -2.846 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -7.269 -2.687 -2.333 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.855 -1.980 -2.097 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.186 -2.620 0.109 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.446 -3.535 2.395 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -5.482 -4.198 -1.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.178 -4.956 3.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.056 -5.326 0.538 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.899 -5.735 2.836 1.00 0.00 H new ATOM 1460 N LYS A 96 -11.248 -3.337 -2.672 1.00 0.00 N ATOM 1461 CA LYS A 96 -12.656 -3.552 -2.338 1.00 0.00 C ATOM 1462 C LYS A 96 -13.283 -4.622 -3.227 1.00 0.00 C ATOM 1463 O LYS A 96 -14.133 -5.358 -2.743 1.00 0.00 O ATOM 1464 CB LYS A 96 -13.444 -2.250 -2.468 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.264 -1.327 -1.253 1.00 0.00 C ATOM 1466 CD LYS A 96 -13.941 0.056 -1.339 1.00 0.00 C ATOM 1467 CE LYS A 96 -15.307 0.129 -2.035 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.254 -0.025 -3.506 1.00 0.00 N ATOM 0 H LYS A 96 -11.035 -2.397 -3.007 1.00 0.00 H new ATOM 0 HA LYS A 96 -12.697 -3.896 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.126 -1.725 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.502 -2.481 -2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.648 -1.842 -0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.196 -1.176 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.058 0.438 -0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.262 0.732 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.952 -0.647 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.770 1.087 -1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.898 0.661 -3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.283 0.146 -3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.544 -0.990 -3.765 1.00 0.00 H new ATOM 1482 N LYS A 97 -12.883 -4.722 -4.504 1.00 0.00 N ATOM 1483 CA LYS A 97 -13.416 -5.730 -5.434 1.00 0.00 C ATOM 1484 C LYS A 97 -13.304 -7.115 -4.800 1.00 0.00 C ATOM 1485 O LYS A 97 -14.283 -7.857 -4.814 1.00 0.00 O ATOM 1486 CB LYS A 97 -12.675 -5.681 -6.785 1.00 0.00 C ATOM 1487 CG LYS A 97 -13.056 -6.778 -7.804 1.00 0.00 C ATOM 1488 CD LYS A 97 -14.275 -6.474 -8.679 1.00 0.00 C ATOM 1489 CE LYS A 97 -13.937 -5.342 -9.655 1.00 0.00 C ATOM 1490 NZ LYS A 97 -14.866 -5.274 -10.794 1.00 0.00 N ATOM 0 H LYS A 97 -12.183 -4.108 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 97 -14.466 -5.512 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.857 -4.708 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -11.604 -5.747 -6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.200 -6.957 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.243 -7.704 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -14.572 -7.367 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.122 -6.189 -8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.953 -4.392 -9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.922 -5.481 -10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.590 -4.491 -11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.833 -6.169 -11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.832 -5.114 -10.445 1.00 0.00 H new ATOM 1504 N ALA A 98 -12.142 -7.449 -4.228 1.00 0.00 N ATOM 1505 CA ALA A 98 -11.902 -8.738 -3.590 1.00 0.00 C ATOM 1506 C ALA A 98 -12.875 -9.033 -2.437 1.00 0.00 C ATOM 1507 O ALA A 98 -13.026 -10.196 -2.071 1.00 0.00 O ATOM 1508 CB ALA A 98 -10.453 -8.780 -3.099 1.00 0.00 C ATOM 0 H ALA A 98 -11.337 -6.823 -4.197 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.077 -9.517 -4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.259 -9.739 -2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.778 -8.655 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.288 -7.976 -2.382 1.00 0.00 H new ATOM 1514 N GLY A 99 -13.533 -8.008 -1.880 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.495 -8.096 -0.783 1.00 0.00 C ATOM 1516 C GLY A 99 -13.892 -7.691 0.564 1.00 0.00 C ATOM 1517 O GLY A 99 -14.513 -7.919 1.607 1.00 0.00 O ATOM 0 H GLY A 99 -13.399 -7.049 -2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.349 -7.455 -1.002 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.871 -9.117 -0.716 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.691 -7.103 0.548 1.00 0.00 N ATOM 1522 CA LEU A 100 -11.933 -6.656 1.713 1.00 0.00 C ATOM 1523 C LEU A 100 -12.487 -5.340 2.292 1.00 0.00 C ATOM 1524 O LEU A 100 -13.091 -4.563 1.548 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.463 -6.484 1.293 1.00 0.00 C ATOM 1526 CG LEU A 100 -9.792 -7.759 0.745 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.401 -7.406 0.216 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -9.683 -8.846 1.821 1.00 0.00 C ATOM 0 H LEU A 100 -12.199 -6.918 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.020 -7.404 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.406 -5.705 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.893 -6.132 2.153 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.410 -8.155 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.921 -8.304 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.491 -6.668 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.798 -6.994 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.205 -9.730 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.087 -8.475 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.680 -9.108 2.176 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.243 -5.052 3.586 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.722 -3.850 4.272 1.00 0.00 C ATOM 1542 C PRO A 101 -11.952 -2.572 3.913 1.00 0.00 C ATOM 1543 O PRO A 101 -10.914 -2.616 3.249 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.560 -4.169 5.764 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.337 -5.079 5.789 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.535 -5.912 4.526 1.00 0.00 C ATOM 0 HA PRO A 101 -13.749 -3.635 3.975 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.404 -3.267 6.355 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.442 -4.666 6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.406 -4.512 5.762 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.307 -5.698 6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.577 -6.233 4.116 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.109 -6.814 4.739 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.460 -1.429 4.383 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.902 -0.095 4.187 1.00 0.00 C ATOM 1556 C VAL A 102 -11.990 0.722 5.486 1.00 0.00 C ATOM 1557 O VAL A 102 -12.754 0.426 6.406 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.577 0.655 3.015 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -11.906 0.364 1.672 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -14.082 0.396 2.890 1.00 0.00 C ATOM 0 H VAL A 102 -13.315 -1.412 4.938 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.852 -0.218 3.921 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.444 1.707 3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.418 0.915 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.862 0.674 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.960 -0.704 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.479 0.958 2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.256 -0.668 2.732 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.583 0.714 3.804 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.151 1.752 5.569 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.015 2.701 6.663 1.00 0.00 C ATOM 1572 C ALA A 103 -12.002 3.848 6.446 1.00 0.00 C ATOM 1573 O ALA A 103 -11.631 5.024 6.451 1.00 0.00 O ATOM 1574 CB ALA A 103 -9.563 3.194 6.764 1.00 0.00 C ATOM 0 H ALA A 103 -10.499 1.958 4.812 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.251 2.221 7.613 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.476 3.904 7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.903 2.346 6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.279 3.683 5.832 1.00 0.00 H new