USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 762 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 56 HIS : no HE2:sc= 1.55 K(o=2.4,f=-5.5!) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.878 K(o=2.4,f=-0.5) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0636 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= 1.15 K(o=1.1,f=-3.9!) USER MOD Single : A 11 GLN : amide:sc=-0.00748 X(o=-0.0075,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 27:sc= 1.24 USER MOD Single : A 33 HIS : no HD1:sc= -0.73 K(o=-0.73,f=-4.7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.3) 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 62 HIS : no HE2:sc= -1.87 K(o=-1.9,f=-7.2) USER MOD Single : A 63 CYS SG : rot 17:sc= -1.08 USER MOD Single : A 69 THR OG1 : rot -23:sc= 0.521 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.712 K(o=0.71,f=0) USER MOD Single : A 72 ASN : amide:sc=-0.00135 X(o=-0.0013,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= 1.3 (180deg=0.487) USER MOD Single : A 96 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.678) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= 1.22 (180deg=0.898) USER MOD Single : A 105 ASN : amide:sc= -0.0372 K(o=-0.037,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 11.292 -7.123 -5.058 1.00 0.00 N ATOM 12 CA LEU A 2 9.980 -6.747 -4.532 1.00 0.00 C ATOM 13 C LEU A 2 8.937 -7.703 -5.102 1.00 0.00 C ATOM 14 O LEU A 2 8.494 -7.534 -6.242 1.00 0.00 O ATOM 15 CB LEU A 2 9.646 -5.278 -4.834 1.00 0.00 C ATOM 16 CG LEU A 2 10.715 -4.253 -4.401 1.00 0.00 C ATOM 17 CD1 LEU A 2 10.097 -2.849 -4.486 1.00 0.00 C ATOM 18 CD2 LEU A 2 11.376 -4.535 -3.041 1.00 0.00 C ATOM 0 HA LEU A 2 9.985 -6.831 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.481 -5.174 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.707 -5.028 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 2 11.554 -4.337 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.836 -2.107 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.782 -2.651 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.233 -2.791 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 2 12.112 -3.760 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 2 10.615 -4.539 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.870 -5.506 -3.071 1.00 0.00 H new ATOM 30 N THR A 3 8.572 -8.730 -4.343 1.00 0.00 N ATOM 31 CA THR A 3 7.602 -9.723 -4.776 1.00 0.00 C ATOM 32 C THR A 3 6.171 -9.165 -4.847 1.00 0.00 C ATOM 33 O THR A 3 5.739 -8.361 -4.019 1.00 0.00 O ATOM 34 CB THR A 3 7.669 -10.928 -3.824 1.00 0.00 C ATOM 35 OG1 THR A 3 9.009 -11.347 -3.629 1.00 0.00 O ATOM 36 CG2 THR A 3 6.871 -12.113 -4.368 1.00 0.00 C ATOM 0 H THR A 3 8.943 -8.896 -3.407 1.00 0.00 H new ATOM 0 HA THR A 3 7.858 -10.028 -5.791 1.00 0.00 H new ATOM 0 HB THR A 3 7.239 -10.603 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.027 -12.113 -3.019 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.939 -12.948 -3.671 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.827 -11.824 -4.487 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.277 -12.413 -5.334 1.00 0.00 H new ATOM 44 N THR A 4 5.428 -9.638 -5.841 1.00 0.00 N ATOM 45 CA THR A 4 4.043 -9.339 -6.151 1.00 0.00 C ATOM 46 C THR A 4 3.291 -10.560 -5.598 1.00 0.00 C ATOM 47 O THR A 4 3.213 -11.600 -6.253 1.00 0.00 O ATOM 48 CB THR A 4 3.924 -9.153 -7.681 1.00 0.00 C ATOM 49 OG1 THR A 4 4.804 -10.022 -8.379 1.00 0.00 O ATOM 50 CG2 THR A 4 4.298 -7.733 -8.106 1.00 0.00 C ATOM 0 H THR A 4 5.820 -10.301 -6.509 1.00 0.00 H new ATOM 0 HA THR A 4 3.639 -8.424 -5.718 1.00 0.00 H new ATOM 0 HB THR A 4 2.884 -9.370 -7.924 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.705 -9.882 -9.344 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.202 -7.640 -9.188 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.631 -7.020 -7.620 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.327 -7.525 -7.813 1.00 0.00 H new ATOM 58 N ILE A 5 2.882 -10.486 -4.333 1.00 0.00 N ATOM 59 CA ILE A 5 2.167 -11.528 -3.586 1.00 0.00 C ATOM 60 C ILE A 5 0.660 -11.435 -3.873 1.00 0.00 C ATOM 61 O ILE A 5 0.192 -10.411 -4.376 1.00 0.00 O ATOM 62 CB ILE A 5 2.546 -11.380 -2.086 1.00 0.00 C ATOM 63 CG1 ILE A 5 1.851 -12.367 -1.132 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.331 -9.944 -1.585 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.453 -12.274 0.272 1.00 0.00 C ATOM 0 H ILE A 5 3.048 -9.653 -3.768 1.00 0.00 H new ATOM 0 HA ILE A 5 2.456 -12.531 -3.898 1.00 0.00 H new ATOM 0 HB ILE A 5 3.606 -11.631 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.783 -12.151 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.956 -13.383 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.607 -9.881 -0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.951 -9.260 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.282 -9.671 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.948 -12.980 0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.515 -12.514 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.325 -11.262 0.657 1.00 0.00 H new ATOM 77 N SER A 6 -0.113 -12.476 -3.561 1.00 0.00 N ATOM 78 CA SER A 6 -1.557 -12.513 -3.777 1.00 0.00 C ATOM 79 C SER A 6 -2.288 -11.617 -2.759 1.00 0.00 C ATOM 80 O SER A 6 -1.894 -11.600 -1.593 1.00 0.00 O ATOM 81 CB SER A 6 -2.033 -13.961 -3.625 1.00 0.00 C ATOM 82 OG SER A 6 -1.318 -14.796 -4.519 1.00 0.00 O ATOM 0 H SER A 6 0.255 -13.331 -3.144 1.00 0.00 H new ATOM 0 HA SER A 6 -1.781 -12.140 -4.777 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.883 -14.297 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.102 -14.026 -3.828 1.00 0.00 H new ATOM 0 HG SER A 6 -1.624 -15.722 -4.418 1.00 0.00 H new ATOM 88 N PRO A 7 -3.374 -10.911 -3.137 1.00 0.00 N ATOM 89 CA PRO A 7 -4.130 -10.041 -2.228 1.00 0.00 C ATOM 90 C PRO A 7 -4.715 -10.796 -1.023 1.00 0.00 C ATOM 91 O PRO A 7 -4.879 -10.222 0.047 1.00 0.00 O ATOM 92 CB PRO A 7 -5.196 -9.347 -3.080 1.00 0.00 C ATOM 93 CG PRO A 7 -5.268 -10.156 -4.374 1.00 0.00 C ATOM 94 CD PRO A 7 -3.919 -10.856 -4.480 1.00 0.00 C ATOM 0 HA PRO A 7 -3.472 -9.303 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.159 -9.334 -2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.926 -8.310 -3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.085 -10.877 -4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.445 -9.510 -5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.034 -11.858 -4.893 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.251 -10.311 -5.147 1.00 0.00 H new ATOM 102 N HIS A 8 -4.983 -12.084 -1.189 1.00 0.00 N ATOM 103 CA HIS A 8 -5.511 -13.039 -0.218 1.00 0.00 C ATOM 104 C HIS A 8 -4.520 -13.157 0.933 1.00 0.00 C ATOM 105 O HIS A 8 -4.875 -12.985 2.098 1.00 0.00 O ATOM 106 CB HIS A 8 -5.710 -14.415 -0.898 1.00 0.00 C ATOM 107 CG HIS A 8 -5.581 -15.624 0.006 1.00 0.00 C ATOM 108 ND1 HIS A 8 -4.429 -16.349 0.222 1.00 0.00 N ATOM 109 CD2 HIS A 8 -6.568 -16.199 0.758 1.00 0.00 C ATOM 110 CE1 HIS A 8 -4.698 -17.326 1.094 1.00 0.00 C ATOM 111 NE2 HIS A 8 -5.993 -17.275 1.458 1.00 0.00 N ATOM 0 H HIS A 8 -4.822 -12.531 -2.092 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.474 -12.698 0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.699 -14.432 -1.357 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.983 -14.509 -1.704 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -3.523 -16.170 -0.211 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.600 -15.884 0.806 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.982 -18.050 1.454 1.00 0.00 H new ATOM 119 N ASP A 9 -3.280 -13.488 0.584 1.00 0.00 N ATOM 120 CA ASP A 9 -2.174 -13.668 1.513 1.00 0.00 C ATOM 121 C ASP A 9 -1.845 -12.334 2.147 1.00 0.00 C ATOM 122 O ASP A 9 -1.535 -12.251 3.330 1.00 0.00 O ATOM 123 CB ASP A 9 -0.970 -14.254 0.762 1.00 0.00 C ATOM 124 CG ASP A 9 -1.107 -15.772 0.696 1.00 0.00 C ATOM 125 OD1 ASP A 9 -1.738 -16.262 -0.267 1.00 0.00 O ATOM 126 OD2 ASP A 9 -0.629 -16.467 1.621 1.00 0.00 O ATOM 0 H ASP A 9 -3.011 -13.643 -0.388 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.445 -14.366 2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.917 -13.838 -0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.044 -13.983 1.268 1.00 0.00 H new ATOM 131 N ALA A 10 -1.977 -11.266 1.369 1.00 0.00 N ATOM 132 CA ALA A 10 -1.713 -9.933 1.839 1.00 0.00 C ATOM 133 C ALA A 10 -2.724 -9.464 2.870 1.00 0.00 C ATOM 134 O ALA A 10 -2.338 -8.797 3.823 1.00 0.00 O ATOM 135 CB ALA A 10 -1.657 -9.016 0.617 1.00 0.00 C ATOM 0 H ALA A 10 -2.272 -11.312 0.394 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.758 -9.911 2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.458 -7.994 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.862 -9.348 -0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.611 -9.052 0.091 1.00 0.00 H new ATOM 141 N GLN A 11 -3.989 -9.843 2.729 1.00 0.00 N ATOM 142 CA GLN A 11 -5.048 -9.466 3.656 1.00 0.00 C ATOM 143 C GLN A 11 -4.802 -10.036 5.061 1.00 0.00 C ATOM 144 O GLN A 11 -5.363 -9.550 6.046 1.00 0.00 O ATOM 145 CB GLN A 11 -6.357 -10.008 3.071 1.00 0.00 C ATOM 146 CG GLN A 11 -7.592 -9.610 3.877 1.00 0.00 C ATOM 147 CD GLN A 11 -8.268 -10.754 4.620 1.00 0.00 C ATOM 148 OE1 GLN A 11 -8.416 -10.706 5.839 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.733 -11.777 3.923 1.00 0.00 N ATOM 0 H GLN A 11 -4.311 -10.428 1.958 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.084 -8.383 3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.467 -9.646 2.049 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.301 -11.095 3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.306 -8.846 4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.317 -9.155 3.202 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.604 -11.806 2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.221 -12.537 4.397 1.00 0.00 H new ATOM 158 N GLU A 12 -3.996 -11.088 5.150 1.00 0.00 N ATOM 159 CA GLU A 12 -3.676 -11.756 6.378 1.00 0.00 C ATOM 160 C GLU A 12 -2.628 -10.953 7.128 1.00 0.00 C ATOM 161 O GLU A 12 -2.913 -10.423 8.199 1.00 0.00 O ATOM 162 CB GLU A 12 -3.203 -13.170 6.010 1.00 0.00 C ATOM 163 CG GLU A 12 -2.745 -13.930 7.238 1.00 0.00 C ATOM 164 CD GLU A 12 -2.138 -15.293 6.905 1.00 0.00 C ATOM 165 OE1 GLU A 12 -2.516 -16.280 7.575 1.00 0.00 O ATOM 166 OE2 GLU A 12 -1.245 -15.367 6.030 1.00 0.00 O ATOM 0 H GLU A 12 -3.540 -11.502 4.337 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.534 -11.838 7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.014 -13.713 5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.386 -13.108 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.009 -13.332 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.593 -14.070 7.909 1.00 0.00 H new ATOM 173 N LEU A 13 -1.423 -10.890 6.565 1.00 0.00 N ATOM 174 CA LEU A 13 -0.258 -10.206 7.103 1.00 0.00 C ATOM 175 C LEU A 13 -0.531 -8.754 7.489 1.00 0.00 C ATOM 176 O LEU A 13 -0.032 -8.316 8.524 1.00 0.00 O ATOM 177 CB LEU A 13 0.932 -10.389 6.146 1.00 0.00 C ATOM 178 CG LEU A 13 0.679 -10.047 4.669 1.00 0.00 C ATOM 179 CD1 LEU A 13 0.976 -8.596 4.311 1.00 0.00 C ATOM 180 CD2 LEU A 13 1.496 -10.963 3.761 1.00 0.00 C ATOM 0 H LEU A 13 -1.227 -11.341 5.672 1.00 0.00 H new ATOM 0 HA LEU A 13 0.007 -10.670 8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.756 -9.772 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.262 -11.426 6.205 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.389 -10.202 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.773 -8.434 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.344 -7.938 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.024 -8.378 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.305 -10.707 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.557 -10.837 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.210 -12.000 3.938 1.00 0.00 H new ATOM 192 N ILE A 14 -1.365 -8.032 6.738 1.00 0.00 N ATOM 193 CA ILE A 14 -1.708 -6.640 7.014 1.00 0.00 C ATOM 194 C ILE A 14 -2.307 -6.522 8.421 1.00 0.00 C ATOM 195 O ILE A 14 -1.864 -5.709 9.235 1.00 0.00 O ATOM 196 CB ILE A 14 -2.598 -6.120 5.847 1.00 0.00 C ATOM 197 CG1 ILE A 14 -1.926 -4.962 5.081 1.00 0.00 C ATOM 198 CG2 ILE A 14 -4.081 -5.877 6.167 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.982 -5.144 3.561 1.00 0.00 C ATOM 0 H ILE A 14 -1.827 -8.406 5.909 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.835 -5.988 7.039 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.660 -6.969 5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.414 -4.024 5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.885 -4.881 5.394 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.592 -5.517 5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.540 -6.809 6.496 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.165 -5.132 6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.494 -4.299 3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.470 -6.066 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.022 -5.196 3.239 1.00 0.00 H new ATOM 211 N ALA A 15 -3.287 -7.374 8.736 1.00 0.00 N ATOM 212 CA ALA A 15 -3.957 -7.394 10.029 1.00 0.00 C ATOM 213 C ALA A 15 -3.079 -7.997 11.133 1.00 0.00 C ATOM 214 O ALA A 15 -3.473 -8.012 12.303 1.00 0.00 O ATOM 215 CB ALA A 15 -5.259 -8.187 9.894 1.00 0.00 C ATOM 0 H ALA A 15 -3.639 -8.078 8.087 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.165 -6.365 10.323 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.772 -8.211 10.855 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.900 -7.711 9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.034 -9.206 9.578 1.00 0.00 H new ATOM 221 N ARG A 16 -1.892 -8.504 10.792 1.00 0.00 N ATOM 222 CA ARG A 16 -0.962 -9.122 11.731 1.00 0.00 C ATOM 223 C ARG A 16 0.250 -8.250 12.053 1.00 0.00 C ATOM 224 O ARG A 16 1.022 -8.636 12.925 1.00 0.00 O ATOM 225 CB ARG A 16 -0.574 -10.513 11.219 1.00 0.00 C ATOM 226 CG ARG A 16 -1.780 -11.462 11.152 1.00 0.00 C ATOM 227 CD ARG A 16 -1.360 -12.863 10.693 1.00 0.00 C ATOM 228 NE ARG A 16 -2.507 -13.789 10.678 1.00 0.00 N ATOM 229 CZ ARG A 16 -2.493 -15.103 10.946 1.00 0.00 C ATOM 230 NH1 ARG A 16 -1.354 -15.745 11.196 1.00 0.00 N ATOM 231 NH2 ARG A 16 -3.625 -15.795 10.983 1.00 0.00 N ATOM 0 H ARG A 16 -1.546 -8.494 9.833 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.473 -9.230 12.688 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.129 -10.423 10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.187 -10.940 11.872 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.252 -11.524 12.133 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.525 -11.060 10.465 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.923 -12.805 9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.587 -13.249 11.358 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.412 -13.385 10.437 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.469 -15.237 11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.366 -16.745 11.398 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.514 -15.328 10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.606 -16.794 11.188 1.00 0.00 H new ATOM 245 N GLY A 17 0.414 -7.093 11.406 1.00 0.00 N ATOM 246 CA GLY A 17 1.529 -6.189 11.670 1.00 0.00 C ATOM 247 C GLY A 17 2.191 -5.627 10.421 1.00 0.00 C ATOM 248 O GLY A 17 2.816 -4.566 10.518 1.00 0.00 O ATOM 0 H GLY A 17 -0.225 -6.759 10.684 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.172 -5.360 12.282 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.279 -6.719 12.257 1.00 0.00 H new ATOM 252 N ALA A 18 2.077 -6.300 9.269 1.00 0.00 N ATOM 253 CA ALA A 18 2.674 -5.829 8.024 1.00 0.00 C ATOM 254 C ALA A 18 2.080 -4.459 7.677 1.00 0.00 C ATOM 255 O ALA A 18 0.883 -4.220 7.868 1.00 0.00 O ATOM 256 CB ALA A 18 2.465 -6.841 6.907 1.00 0.00 C ATOM 0 H ALA A 18 1.570 -7.181 9.179 1.00 0.00 H new ATOM 0 HA ALA A 18 3.752 -5.720 8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.919 -6.468 5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.929 -7.788 7.182 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.397 -6.993 6.749 1.00 0.00 H new ATOM 262 N LYS A 19 2.914 -3.544 7.176 1.00 0.00 N ATOM 263 CA LYS A 19 2.482 -2.189 6.832 1.00 0.00 C ATOM 264 C LYS A 19 2.289 -1.997 5.341 1.00 0.00 C ATOM 265 O LYS A 19 2.931 -2.679 4.549 1.00 0.00 O ATOM 266 CB LYS A 19 3.462 -1.174 7.451 1.00 0.00 C ATOM 267 CG LYS A 19 2.774 -0.346 8.544 1.00 0.00 C ATOM 268 CD LYS A 19 2.234 -1.156 9.736 1.00 0.00 C ATOM 269 CE LYS A 19 1.003 -0.453 10.317 1.00 0.00 C ATOM 270 NZ LYS A 19 0.408 -1.193 11.444 1.00 0.00 N ATOM 0 H LYS A 19 3.903 -3.721 6.999 1.00 0.00 H new ATOM 0 HA LYS A 19 1.494 -2.016 7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.319 -1.700 7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.845 -0.512 6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.483 0.393 8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.947 0.204 8.095 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.972 -2.164 9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.004 -1.255 10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.283 0.546 10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.256 -0.329 9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.421 -0.675 11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.114 -2.138 11.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.110 -1.289 12.205 1.00 0.00 H new ATOM 284 N LEU A 20 1.422 -1.078 4.935 1.00 0.00 N ATOM 285 CA LEU A 20 1.153 -0.755 3.543 1.00 0.00 C ATOM 286 C LEU A 20 1.295 0.760 3.443 1.00 0.00 C ATOM 287 O LEU A 20 0.788 1.478 4.306 1.00 0.00 O ATOM 288 CB LEU A 20 -0.214 -1.302 3.113 1.00 0.00 C ATOM 289 CG LEU A 20 -0.648 -0.848 1.712 1.00 0.00 C ATOM 290 CD1 LEU A 20 0.338 -1.183 0.603 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.968 -1.531 1.363 1.00 0.00 C ATOM 0 H LEU A 20 0.870 -0.521 5.587 1.00 0.00 H new ATOM 0 HA LEU A 20 1.849 -1.226 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.184 -2.391 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.966 -0.986 3.837 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.723 0.238 1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.051 -0.825 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.294 -0.701 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.479 -2.263 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.288 -1.217 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.833 -2.612 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.727 -1.251 2.094 1.00 0.00 H new ATOM 303 N ILE A 21 2.003 1.246 2.425 1.00 0.00 N ATOM 304 CA ILE A 21 2.239 2.665 2.213 1.00 0.00 C ATOM 305 C ILE A 21 1.407 3.138 1.033 1.00 0.00 C ATOM 306 O ILE A 21 1.527 2.614 -0.081 1.00 0.00 O ATOM 307 CB ILE A 21 3.746 2.935 2.000 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.661 2.193 2.996 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.037 4.442 2.068 1.00 0.00 C ATOM 310 CD1 ILE A 21 4.382 2.485 4.473 1.00 0.00 C ATOM 0 H ILE A 21 2.434 0.652 1.716 1.00 0.00 H new ATOM 0 HA ILE A 21 1.935 3.228 3.096 1.00 0.00 H new ATOM 0 HB ILE A 21 3.976 2.545 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.561 1.121 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.697 2.455 2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.103 4.614 1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.472 4.957 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.743 4.826 3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.076 1.918 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.512 3.550 4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.359 2.195 4.714 1.00 0.00 H new ATOM 322 N ASP A 22 0.556 4.123 1.299 1.00 0.00 N ATOM 323 CA ASP A 22 -0.318 4.739 0.319 1.00 0.00 C ATOM 324 C ASP A 22 0.543 5.737 -0.460 1.00 0.00 C ATOM 325 O ASP A 22 0.643 6.902 -0.056 1.00 0.00 O ATOM 326 CB ASP A 22 -1.441 5.516 1.017 1.00 0.00 C ATOM 327 CG ASP A 22 -2.590 4.704 1.595 1.00 0.00 C ATOM 328 OD1 ASP A 22 -2.699 4.646 2.842 1.00 0.00 O ATOM 329 OD2 ASP A 22 -3.430 4.235 0.796 1.00 0.00 O ATOM 0 H ASP A 22 0.456 4.524 2.232 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.765 3.981 -0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.998 6.098 1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.855 6.227 0.302 1.00 0.00 H new ATOM 334 N ILE A 23 1.177 5.321 -1.563 1.00 0.00 N ATOM 335 CA ILE A 23 2.016 6.225 -2.360 1.00 0.00 C ATOM 336 C ILE A 23 1.261 6.742 -3.599 1.00 0.00 C ATOM 337 O ILE A 23 1.868 6.997 -4.644 1.00 0.00 O ATOM 338 CB ILE A 23 3.318 5.489 -2.769 1.00 0.00 C ATOM 339 CG1 ILE A 23 3.083 4.280 -3.701 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.162 5.045 -1.549 1.00 0.00 C ATOM 341 CD1 ILE A 23 4.264 4.063 -4.645 1.00 0.00 C ATOM 0 H ILE A 23 1.126 4.368 -1.923 1.00 0.00 H new ATOM 0 HA ILE A 23 2.272 7.095 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 23 3.879 6.235 -3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.925 3.383 -3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.175 4.439 -4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.061 4.535 -1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.443 5.920 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.576 4.367 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.064 3.204 -5.286 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.405 4.951 -5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.166 3.879 -4.062 1.00 0.00 H new ATOM 353 N ARG A 24 -0.040 7.016 -3.478 1.00 0.00 N ATOM 354 CA ARG A 24 -0.865 7.470 -4.592 1.00 0.00 C ATOM 355 C ARG A 24 -1.327 8.901 -4.450 1.00 0.00 C ATOM 356 O ARG A 24 -0.708 9.795 -5.035 1.00 0.00 O ATOM 357 CB ARG A 24 -2.016 6.484 -4.895 1.00 0.00 C ATOM 358 CG ARG A 24 -2.374 5.446 -3.818 1.00 0.00 C ATOM 359 CD ARG A 24 -3.106 5.911 -2.546 1.00 0.00 C ATOM 360 NE ARG A 24 -4.550 5.945 -2.795 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.534 5.251 -2.204 1.00 0.00 C ATOM 362 NH1 ARG A 24 -5.414 4.606 -1.047 1.00 0.00 N ATOM 363 NH2 ARG A 24 -6.683 5.200 -2.860 1.00 0.00 N ATOM 0 H ARG A 24 -0.550 6.928 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.221 7.472 -5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.911 7.069 -5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.764 5.945 -5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.990 4.681 -4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.448 4.963 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.885 5.236 -1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.754 6.900 -2.252 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.851 6.591 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.526 4.618 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.210 4.099 -0.661 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.778 5.672 -3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.473 4.688 -2.466 1.00 0.00 H new ATOM 377 N ASP A 25 -2.425 9.129 -3.737 1.00 0.00 N ATOM 378 CA ASP A 25 -2.977 10.456 -3.582 1.00 0.00 C ATOM 379 C ASP A 25 -3.866 10.544 -2.359 1.00 0.00 C ATOM 380 O ASP A 25 -4.560 9.593 -1.990 1.00 0.00 O ATOM 381 CB ASP A 25 -3.821 10.681 -4.826 1.00 0.00 C ATOM 382 CG ASP A 25 -4.263 12.117 -5.058 1.00 0.00 C ATOM 383 OD1 ASP A 25 -3.448 13.037 -4.811 1.00 0.00 O ATOM 384 OD2 ASP A 25 -5.363 12.306 -5.626 1.00 0.00 O ATOM 0 H ASP A 25 -2.950 8.399 -3.255 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.186 11.196 -3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.254 10.347 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.708 10.051 -4.763 1.00 0.00 H new ATOM 389 N ALA A 26 -3.830 11.712 -1.738 1.00 0.00 N ATOM 390 CA ALA A 26 -4.596 12.020 -0.534 1.00 0.00 C ATOM 391 C ALA A 26 -6.059 12.326 -0.871 1.00 0.00 C ATOM 392 O ALA A 26 -6.944 12.118 -0.041 1.00 0.00 O ATOM 393 CB ALA A 26 -3.928 13.167 0.231 1.00 0.00 C ATOM 0 H ALA A 26 -3.256 12.491 -2.061 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.603 11.144 0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.505 13.391 1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.917 12.875 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.886 14.052 -0.404 1.00 0.00 H new ATOM 399 N ASP A 27 -6.327 12.771 -2.100 1.00 0.00 N ATOM 400 CA ASP A 27 -7.674 13.084 -2.563 1.00 0.00 C ATOM 401 C ASP A 27 -8.464 11.786 -2.725 1.00 0.00 C ATOM 402 O ASP A 27 -9.685 11.759 -2.572 1.00 0.00 O ATOM 403 CB ASP A 27 -7.631 13.858 -3.885 1.00 0.00 C ATOM 404 CG ASP A 27 -8.647 14.993 -3.886 1.00 0.00 C ATOM 405 OD1 ASP A 27 -8.256 16.143 -4.196 1.00 0.00 O ATOM 406 OD2 ASP A 27 -9.825 14.767 -3.529 1.00 0.00 O ATOM 0 H ASP A 27 -5.607 12.925 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.167 13.717 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.630 14.261 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.836 13.181 -4.714 1.00 0.00 H new ATOM 411 N GLU A 28 -7.775 10.681 -3.037 1.00 0.00 N ATOM 412 CA GLU A 28 -8.421 9.384 -3.177 1.00 0.00 C ATOM 413 C GLU A 28 -8.935 8.988 -1.798 1.00 0.00 C ATOM 414 O GLU A 28 -10.123 8.689 -1.648 1.00 0.00 O ATOM 415 CB GLU A 28 -7.482 8.317 -3.722 1.00 0.00 C ATOM 416 CG GLU A 28 -7.216 8.570 -5.203 1.00 0.00 C ATOM 417 CD GLU A 28 -6.459 7.418 -5.863 1.00 0.00 C ATOM 418 OE1 GLU A 28 -6.644 7.237 -7.089 1.00 0.00 O ATOM 419 OE2 GLU A 28 -5.734 6.680 -5.160 1.00 0.00 O ATOM 0 H GLU A 28 -6.768 10.667 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.234 9.462 -3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.544 8.328 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.921 7.329 -3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.164 8.721 -5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.642 9.490 -5.315 1.00 0.00 H new ATOM 426 N TYR A 29 -8.026 9.108 -0.818 1.00 0.00 N ATOM 427 CA TYR A 29 -8.174 8.825 0.614 1.00 0.00 C ATOM 428 C TYR A 29 -9.417 9.485 1.241 1.00 0.00 C ATOM 429 O TYR A 29 -9.846 9.125 2.337 1.00 0.00 O ATOM 430 CB TYR A 29 -6.899 9.263 1.356 1.00 0.00 C ATOM 431 CG TYR A 29 -6.342 8.238 2.325 1.00 0.00 C ATOM 432 CD1 TYR A 29 -6.045 6.943 1.861 1.00 0.00 C ATOM 433 CD2 TYR A 29 -6.050 8.587 3.660 1.00 0.00 C ATOM 434 CE1 TYR A 29 -5.428 6.017 2.713 1.00 0.00 C ATOM 435 CE2 TYR A 29 -5.405 7.668 4.510 1.00 0.00 C ATOM 436 CZ TYR A 29 -5.057 6.388 4.023 1.00 0.00 C ATOM 437 OH TYR A 29 -4.309 5.538 4.778 1.00 0.00 O ATOM 0 H TYR A 29 -7.084 9.436 -1.030 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.320 7.750 0.717 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.131 9.501 0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.112 10.181 1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.293 6.663 0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.322 9.564 4.032 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.235 5.013 2.365 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.177 7.940 5.530 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.771 4.967 4.191 1.00 0.00 H new ATOM 447 N LEU A 30 -9.975 10.500 0.580 1.00 0.00 N ATOM 448 CA LEU A 30 -11.152 11.239 0.987 1.00 0.00 C ATOM 449 C LEU A 30 -12.399 10.354 0.887 1.00 0.00 C ATOM 450 O LEU A 30 -13.139 10.197 1.866 1.00 0.00 O ATOM 451 CB LEU A 30 -11.249 12.461 0.058 1.00 0.00 C ATOM 452 CG LEU A 30 -12.220 13.549 0.528 1.00 0.00 C ATOM 453 CD1 LEU A 30 -11.829 14.852 -0.168 1.00 0.00 C ATOM 454 CD2 LEU A 30 -13.696 13.241 0.238 1.00 0.00 C ATOM 0 H LEU A 30 -9.590 10.841 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.082 11.560 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.257 12.900 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.555 12.124 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.138 13.615 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.503 15.649 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.806 15.115 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.899 14.723 -1.248 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.317 14.060 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.839 13.126 -0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.981 12.318 0.743 1.00 0.00 H new ATOM 466 N ARG A 31 -12.663 9.807 -0.303 1.00 0.00 N ATOM 467 CA ARG A 31 -13.828 8.967 -0.554 1.00 0.00 C ATOM 468 C ARG A 31 -13.615 7.528 -0.120 1.00 0.00 C ATOM 469 O ARG A 31 -14.472 6.955 0.551 1.00 0.00 O ATOM 470 CB ARG A 31 -14.205 8.957 -2.043 1.00 0.00 C ATOM 471 CG ARG A 31 -14.541 10.328 -2.646 1.00 0.00 C ATOM 472 CD ARG A 31 -14.880 10.121 -4.126 1.00 0.00 C ATOM 473 NE ARG A 31 -15.166 11.388 -4.811 1.00 0.00 N ATOM 474 CZ ARG A 31 -15.049 11.618 -6.121 1.00 0.00 C ATOM 475 NH1 ARG A 31 -14.681 10.652 -6.955 1.00 0.00 N ATOM 476 NH2 ARG A 31 -15.319 12.826 -6.589 1.00 0.00 N ATOM 0 H ARG A 31 -12.068 9.938 -1.121 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.631 9.405 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.379 8.524 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.063 8.299 -2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.383 10.780 -2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.697 11.009 -2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.047 9.622 -4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.743 9.461 -4.211 1.00 0.00 H new ATOM 0 HE ARG A 31 -15.484 12.165 -4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.483 9.717 -6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.596 10.845 -7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -15.612 13.566 -5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.234 13.017 -7.587 1.00 0.00 H new ATOM 490 N GLU A 32 -12.506 6.923 -0.524 1.00 0.00 N ATOM 491 CA GLU A 32 -12.172 5.539 -0.230 1.00 0.00 C ATOM 492 C GLU A 32 -10.763 5.465 0.357 1.00 0.00 C ATOM 493 O GLU A 32 -10.116 6.498 0.460 1.00 0.00 O ATOM 494 CB GLU A 32 -12.279 4.773 -1.554 1.00 0.00 C ATOM 495 CG GLU A 32 -13.730 4.654 -2.057 1.00 0.00 C ATOM 496 CD GLU A 32 -13.874 4.869 -3.567 1.00 0.00 C ATOM 497 OE1 GLU A 32 -13.541 3.941 -4.341 1.00 0.00 O ATOM 498 OE2 GLU A 32 -14.406 5.921 -3.996 1.00 0.00 O ATOM 0 H GLU A 32 -11.795 7.397 -1.081 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.845 5.102 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.677 5.277 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.860 3.775 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.115 3.667 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.348 5.383 -1.534 1.00 0.00 H new ATOM 505 N HIS A 33 -10.281 4.298 0.799 1.00 0.00 N ATOM 506 CA HIS A 33 -8.947 4.154 1.386 1.00 0.00 C ATOM 507 C HIS A 33 -8.269 2.914 0.803 1.00 0.00 C ATOM 508 O HIS A 33 -7.975 2.914 -0.393 1.00 0.00 O ATOM 509 CB HIS A 33 -8.961 4.111 2.926 1.00 0.00 C ATOM 510 CG HIS A 33 -9.559 5.251 3.700 1.00 0.00 C ATOM 511 ND1 HIS A 33 -10.349 6.280 3.249 1.00 0.00 N ATOM 512 CD2 HIS A 33 -9.488 5.353 5.058 1.00 0.00 C ATOM 513 CE1 HIS A 33 -10.804 6.946 4.318 1.00 0.00 C ATOM 514 NE2 HIS A 33 -10.303 6.417 5.447 1.00 0.00 N ATOM 0 H HIS A 33 -10.808 3.425 0.759 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.374 5.044 1.125 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.490 3.205 3.221 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.929 3.999 3.257 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.906 4.723 5.715 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.478 7.789 4.278 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -10.483 6.731 6.401 1.00 0.00 H new ATOM 522 N ILE A 34 -8.036 1.865 1.614 1.00 0.00 N ATOM 523 CA ILE A 34 -7.377 0.618 1.236 1.00 0.00 C ATOM 524 C ILE A 34 -7.253 -0.363 2.415 1.00 0.00 C ATOM 525 O ILE A 34 -7.367 0.074 3.560 1.00 0.00 O ATOM 526 CB ILE A 34 -5.930 0.999 0.750 1.00 0.00 C ATOM 527 CG1 ILE A 34 -5.753 0.706 -0.756 1.00 0.00 C ATOM 528 CG2 ILE A 34 -4.766 0.506 1.640 1.00 0.00 C ATOM 529 CD1 ILE A 34 -4.524 -0.106 -1.156 1.00 0.00 C ATOM 0 H ILE A 34 -8.318 1.872 2.594 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.968 0.124 0.465 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.855 2.079 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.639 0.177 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.720 1.658 -1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.817 0.826 1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.870 0.926 2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.789 -0.582 1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.515 -0.243 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.622 0.424 -0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.556 -1.080 -0.667 1.00 0.00 H new ATOM 541 N PRO A 35 -6.917 -1.645 2.145 1.00 0.00 N ATOM 542 CA PRO A 35 -6.678 -2.690 3.126 1.00 0.00 C ATOM 543 C PRO A 35 -5.425 -2.385 3.976 1.00 0.00 C ATOM 544 O PRO A 35 -4.309 -2.767 3.637 1.00 0.00 O ATOM 545 CB PRO A 35 -6.552 -3.997 2.347 1.00 0.00 C ATOM 546 CG PRO A 35 -6.182 -3.596 0.921 1.00 0.00 C ATOM 547 CD PRO A 35 -6.818 -2.223 0.813 1.00 0.00 C ATOM 0 HA PRO A 35 -7.498 -2.758 3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.788 -4.640 2.783 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.488 -4.556 2.366 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.103 -3.560 0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.582 -4.292 0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.221 -1.580 0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.807 -2.300 0.361 1.00 0.00 H new ATOM 555 N GLU A 36 -5.640 -1.706 5.103 1.00 0.00 N ATOM 556 CA GLU A 36 -4.716 -1.298 6.162 1.00 0.00 C ATOM 557 C GLU A 36 -3.380 -0.641 5.773 1.00 0.00 C ATOM 558 O GLU A 36 -2.301 -1.244 5.862 1.00 0.00 O ATOM 559 CB GLU A 36 -4.495 -2.533 7.043 1.00 0.00 C ATOM 560 CG GLU A 36 -4.422 -2.236 8.546 1.00 0.00 C ATOM 561 CD GLU A 36 -5.718 -2.562 9.294 1.00 0.00 C ATOM 562 OE1 GLU A 36 -6.812 -2.572 8.677 1.00 0.00 O ATOM 563 OE2 GLU A 36 -5.631 -2.817 10.518 1.00 0.00 O ATOM 0 H GLU A 36 -6.585 -1.390 5.322 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.199 -0.464 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.304 -3.241 6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.570 -3.022 6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.605 -2.810 8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.184 -1.182 8.689 1.00 0.00 H new ATOM 570 N ALA A 37 -3.444 0.632 5.389 1.00 0.00 N ATOM 571 CA ALA A 37 -2.291 1.430 4.993 1.00 0.00 C ATOM 572 C ALA A 37 -2.235 2.737 5.774 1.00 0.00 C ATOM 573 O ALA A 37 -2.975 2.909 6.753 1.00 0.00 O ATOM 574 CB ALA A 37 -2.379 1.683 3.497 1.00 0.00 C ATOM 0 H ALA A 37 -4.323 1.148 5.344 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.371 0.890 5.219 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.524 2.280 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.375 0.731 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.301 2.220 3.272 1.00 0.00 H new ATOM 580 N ASP A 38 -1.308 3.614 5.394 1.00 0.00 N ATOM 581 CA ASP A 38 -1.103 4.924 5.986 1.00 0.00 C ATOM 582 C ASP A 38 -0.683 5.890 4.878 1.00 0.00 C ATOM 583 O ASP A 38 0.179 5.556 4.055 1.00 0.00 O ATOM 584 CB ASP A 38 -0.051 4.862 7.095 1.00 0.00 C ATOM 585 CG ASP A 38 -0.597 5.500 8.360 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.970 4.745 9.288 1.00 0.00 O ATOM 587 OD2 ASP A 38 -0.660 6.750 8.415 1.00 0.00 O ATOM 0 H ASP A 38 -0.656 3.419 4.635 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.028 5.274 6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.225 3.826 7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.855 5.379 6.778 1.00 0.00 H new ATOM 592 N LEU A 39 -1.269 7.091 4.888 1.00 0.00 N ATOM 593 CA LEU A 39 -1.039 8.154 3.918 1.00 0.00 C ATOM 594 C LEU A 39 0.411 8.627 3.874 1.00 0.00 C ATOM 595 O LEU A 39 0.912 9.141 4.879 1.00 0.00 O ATOM 596 CB LEU A 39 -1.981 9.332 4.226 1.00 0.00 C ATOM 597 CG LEU A 39 -1.886 10.490 3.215 1.00 0.00 C ATOM 598 CD1 LEU A 39 -2.298 10.058 1.809 1.00 0.00 C ATOM 599 CD2 LEU A 39 -2.813 11.629 3.642 1.00 0.00 C ATOM 0 H LEU A 39 -1.945 7.355 5.605 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.252 7.746 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.008 8.967 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.756 9.713 5.222 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.845 10.812 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.216 10.906 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.644 9.255 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.329 9.704 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.742 12.445 2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.841 11.267 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.519 11.987 4.628 1.00 0.00 H new ATOM 611 N ALA A 40 1.076 8.490 2.722 1.00 0.00 N ATOM 612 CA ALA A 40 2.453 8.921 2.500 1.00 0.00 C ATOM 613 C ALA A 40 2.726 9.026 0.985 1.00 0.00 C ATOM 614 O ALA A 40 3.474 8.195 0.459 1.00 0.00 O ATOM 615 CB ALA A 40 3.430 7.966 3.202 1.00 0.00 C ATOM 0 H ALA A 40 0.655 8.063 1.897 1.00 0.00 H new ATOM 0 HA ALA A 40 2.605 9.909 2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.453 8.299 3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.227 7.961 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.304 6.959 2.804 1.00 0.00 H new ATOM 621 N PRO A 41 2.152 10.020 0.272 1.00 0.00 N ATOM 622 CA PRO A 41 2.363 10.199 -1.166 1.00 0.00 C ATOM 623 C PRO A 41 3.846 10.449 -1.481 1.00 0.00 C ATOM 624 O PRO A 41 4.641 10.742 -0.584 1.00 0.00 O ATOM 625 CB PRO A 41 1.428 11.334 -1.602 1.00 0.00 C ATOM 626 CG PRO A 41 1.153 12.106 -0.314 1.00 0.00 C ATOM 627 CD PRO A 41 1.253 11.044 0.779 1.00 0.00 C ATOM 0 HA PRO A 41 2.120 9.301 -1.733 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.896 11.969 -2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.508 10.947 -2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.880 12.904 -0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.168 12.572 -0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.636 11.474 1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.273 10.624 1.004 1.00 0.00 H new ATOM 635 N LEU A 42 4.221 10.397 -2.767 1.00 0.00 N ATOM 636 CA LEU A 42 5.609 10.562 -3.231 1.00 0.00 C ATOM 637 C LEU A 42 6.248 11.864 -2.733 1.00 0.00 C ATOM 638 O LEU A 42 7.454 11.911 -2.478 1.00 0.00 O ATOM 639 CB LEU A 42 5.635 10.356 -4.755 1.00 0.00 C ATOM 640 CG LEU A 42 7.041 10.374 -5.386 1.00 0.00 C ATOM 641 CD1 LEU A 42 7.885 9.164 -4.962 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.914 10.373 -6.913 1.00 0.00 C ATOM 0 H LEU A 42 3.560 10.237 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 42 6.251 9.801 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.160 9.403 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.032 11.134 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 42 7.543 11.276 -5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.866 9.222 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.002 9.163 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.387 8.246 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.908 10.386 -7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.383 9.477 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.361 11.256 -7.233 1.00 0.00 H new ATOM 654 N SER A 43 5.410 12.873 -2.491 1.00 0.00 N ATOM 655 CA SER A 43 5.746 14.194 -1.980 1.00 0.00 C ATOM 656 C SER A 43 6.395 14.093 -0.587 1.00 0.00 C ATOM 657 O SER A 43 7.093 15.005 -0.144 1.00 0.00 O ATOM 658 CB SER A 43 4.413 14.958 -1.919 1.00 0.00 C ATOM 659 OG SER A 43 4.559 16.323 -1.617 1.00 0.00 O ATOM 0 H SER A 43 4.409 12.777 -2.660 1.00 0.00 H new ATOM 0 HA SER A 43 6.470 14.704 -2.615 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.903 14.859 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.773 14.495 -1.168 1.00 0.00 H new ATOM 0 HG SER A 43 3.677 16.749 -1.595 1.00 0.00 H new ATOM 665 N VAL A 44 6.191 12.975 0.111 1.00 0.00 N ATOM 666 CA VAL A 44 6.697 12.679 1.436 1.00 0.00 C ATOM 667 C VAL A 44 7.909 11.740 1.330 1.00 0.00 C ATOM 668 O VAL A 44 8.920 11.989 1.991 1.00 0.00 O ATOM 669 CB VAL A 44 5.551 12.065 2.279 1.00 0.00 C ATOM 670 CG1 VAL A 44 5.904 12.039 3.766 1.00 0.00 C ATOM 671 CG2 VAL A 44 4.219 12.826 2.145 1.00 0.00 C ATOM 0 H VAL A 44 5.632 12.209 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 44 7.037 13.588 1.933 1.00 0.00 H new ATOM 0 HB VAL A 44 5.429 11.056 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.079 11.602 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.802 11.440 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.083 13.056 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.460 12.343 2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.353 13.856 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.899 12.819 1.103 1.00 0.00 H new ATOM 681 N LEU A 45 7.836 10.689 0.497 1.00 0.00 N ATOM 682 CA LEU A 45 8.916 9.707 0.326 1.00 0.00 C ATOM 683 C LEU A 45 10.221 10.350 -0.132 1.00 0.00 C ATOM 684 O LEU A 45 11.275 10.057 0.422 1.00 0.00 O ATOM 685 CB LEU A 45 8.563 8.604 -0.681 1.00 0.00 C ATOM 686 CG LEU A 45 7.662 7.463 -0.171 1.00 0.00 C ATOM 687 CD1 LEU A 45 8.439 6.174 0.010 1.00 0.00 C ATOM 688 CD2 LEU A 45 6.902 7.693 1.149 1.00 0.00 C ATOM 0 H LEU A 45 7.018 10.497 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 45 9.045 9.270 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.072 9.069 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.492 8.166 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 45 6.918 7.414 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.769 5.393 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.869 5.871 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.238 6.330 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.309 6.810 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.615 7.877 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.243 8.555 1.044 1.00 0.00 H new ATOM 700 N GLU A 46 10.175 11.206 -1.147 1.00 0.00 N ATOM 701 CA GLU A 46 11.352 11.858 -1.685 1.00 0.00 C ATOM 702 C GLU A 46 11.915 12.911 -0.735 1.00 0.00 C ATOM 703 O GLU A 46 13.126 13.148 -0.695 1.00 0.00 O ATOM 704 CB GLU A 46 10.948 12.479 -3.016 1.00 0.00 C ATOM 705 CG GLU A 46 10.827 11.436 -4.138 1.00 0.00 C ATOM 706 CD GLU A 46 11.635 11.840 -5.367 1.00 0.00 C ATOM 707 OE1 GLU A 46 11.429 12.948 -5.912 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.481 11.055 -5.850 1.00 0.00 O ATOM 0 H GLU A 46 9.309 11.466 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 46 12.150 11.128 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.995 12.994 -2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.684 13.231 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.174 10.468 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.779 11.316 -4.413 1.00 0.00 H new ATOM 715 N GLN A 47 11.039 13.545 0.042 1.00 0.00 N ATOM 716 CA GLN A 47 11.433 14.564 0.997 1.00 0.00 C ATOM 717 C GLN A 47 12.079 13.969 2.251 1.00 0.00 C ATOM 718 O GLN A 47 12.689 14.705 3.027 1.00 0.00 O ATOM 719 CB GLN A 47 10.209 15.394 1.365 1.00 0.00 C ATOM 720 CG GLN A 47 9.804 16.392 0.265 1.00 0.00 C ATOM 721 CD GLN A 47 10.931 17.328 -0.161 1.00 0.00 C ATOM 722 OE1 GLN A 47 11.613 17.913 0.675 1.00 0.00 O ATOM 723 NE2 GLN A 47 11.154 17.473 -1.454 1.00 0.00 N ATOM 0 H GLN A 47 10.036 13.362 0.023 1.00 0.00 H new ATOM 0 HA GLN A 47 12.189 15.196 0.531 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.372 14.726 1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.411 15.940 2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.456 15.837 -0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.963 16.988 0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.574 16.976 -2.130 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.906 18.082 -1.777 1.00 0.00 H new ATOM 732 N SER A 48 11.922 12.666 2.473 1.00 0.00 N ATOM 733 CA SER A 48 12.507 11.976 3.615 1.00 0.00 C ATOM 734 C SER A 48 12.770 10.526 3.223 1.00 0.00 C ATOM 735 O SER A 48 13.871 10.181 2.796 1.00 0.00 O ATOM 736 CB SER A 48 11.605 12.134 4.854 1.00 0.00 C ATOM 737 OG SER A 48 12.219 11.686 6.052 1.00 0.00 O ATOM 0 H SER A 48 11.381 12.057 1.860 1.00 0.00 H new ATOM 0 HA SER A 48 13.464 12.416 3.893 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.330 13.183 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.681 11.577 4.696 1.00 0.00 H new ATOM 0 HG SER A 48 11.602 11.812 6.803 1.00 0.00 H new ATOM 743 N GLY A 49 11.748 9.680 3.322 1.00 0.00 N ATOM 744 CA GLY A 49 11.792 8.265 3.017 1.00 0.00 C ATOM 745 C GLY A 49 10.724 7.603 3.868 1.00 0.00 C ATOM 746 O GLY A 49 9.688 8.208 4.159 1.00 0.00 O ATOM 0 H GLY A 49 10.825 9.984 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.605 8.091 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.776 7.851 3.239 1.00 0.00 H new ATOM 750 N LEU A 50 10.957 6.348 4.230 1.00 0.00 N ATOM 751 CA LEU A 50 10.060 5.559 5.054 1.00 0.00 C ATOM 752 C LEU A 50 9.958 6.185 6.454 1.00 0.00 C ATOM 753 O LEU A 50 11.006 6.456 7.055 1.00 0.00 O ATOM 754 CB LEU A 50 10.620 4.131 5.162 1.00 0.00 C ATOM 755 CG LEU A 50 9.656 3.159 5.859 1.00 0.00 C ATOM 756 CD1 LEU A 50 8.402 2.925 5.018 1.00 0.00 C ATOM 757 CD2 LEU A 50 10.359 1.815 6.043 1.00 0.00 C ATOM 0 H LEU A 50 11.797 5.841 3.950 1.00 0.00 H new ATOM 0 HA LEU A 50 9.067 5.535 4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.844 3.758 4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.561 4.156 5.711 1.00 0.00 H new ATOM 0 HG LEU A 50 9.367 3.592 6.816 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.739 2.233 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.887 3.873 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.684 2.502 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.684 1.116 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.644 1.417 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.251 1.952 6.654 1.00 0.00 H new ATOM 769 N PRO A 51 8.752 6.428 6.996 1.00 0.00 N ATOM 770 CA PRO A 51 8.610 7.000 8.323 1.00 0.00 C ATOM 771 C PRO A 51 8.826 5.925 9.391 1.00 0.00 C ATOM 772 O PRO A 51 8.399 4.782 9.211 1.00 0.00 O ATOM 773 CB PRO A 51 7.175 7.505 8.389 1.00 0.00 C ATOM 774 CG PRO A 51 6.411 6.587 7.446 1.00 0.00 C ATOM 775 CD PRO A 51 7.446 6.171 6.407 1.00 0.00 C ATOM 0 HA PRO A 51 9.338 7.791 8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.780 7.451 9.404 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.105 8.546 8.075 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.006 5.723 7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.569 7.102 6.985 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.337 5.117 6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.319 6.738 5.485 1.00 0.00 H new ATOM 783 N ALA A 52 9.348 6.311 10.560 1.00 0.00 N ATOM 784 CA ALA A 52 9.592 5.389 11.673 1.00 0.00 C ATOM 785 C ALA A 52 8.319 4.626 12.070 1.00 0.00 C ATOM 786 O ALA A 52 8.365 3.443 12.417 1.00 0.00 O ATOM 787 CB ALA A 52 10.109 6.166 12.882 1.00 0.00 C ATOM 0 H ALA A 52 9.614 7.275 10.761 1.00 0.00 H new ATOM 0 HA ALA A 52 10.335 4.663 11.344 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.289 5.477 13.707 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.039 6.670 12.620 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.368 6.906 13.183 1.00 0.00 H new ATOM 793 N LYS A 53 7.156 5.286 12.002 1.00 0.00 N ATOM 794 CA LYS A 53 5.884 4.656 12.348 1.00 0.00 C ATOM 795 C LYS A 53 5.550 3.471 11.441 1.00 0.00 C ATOM 796 O LYS A 53 4.802 2.597 11.874 1.00 0.00 O ATOM 797 CB LYS A 53 4.756 5.694 12.463 1.00 0.00 C ATOM 798 CG LYS A 53 4.333 6.285 11.117 1.00 0.00 C ATOM 799 CD LYS A 53 3.572 7.609 11.231 1.00 0.00 C ATOM 800 CE LYS A 53 2.066 7.353 11.132 1.00 0.00 C ATOM 801 NZ LYS A 53 1.286 8.600 11.207 1.00 0.00 N ATOM 0 H LYS A 53 7.074 6.260 11.709 1.00 0.00 H new ATOM 0 HA LYS A 53 5.991 4.220 13.341 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.891 5.228 12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.081 6.501 13.120 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.221 6.440 10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.707 5.562 10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.806 8.093 12.179 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.887 8.289 10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.846 6.844 10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.759 6.685 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.272 8.380 11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.475 9.074 12.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.560 9.228 10.425 1.00 0.00 H new ATOM 815 N LEU A 54 6.101 3.394 10.221 1.00 0.00 N ATOM 816 CA LEU A 54 5.844 2.294 9.291 1.00 0.00 C ATOM 817 C LEU A 54 7.178 1.662 8.873 1.00 0.00 C ATOM 818 O LEU A 54 7.288 1.127 7.776 1.00 0.00 O ATOM 819 CB LEU A 54 5.086 2.816 8.039 1.00 0.00 C ATOM 820 CG LEU A 54 3.943 3.818 8.288 1.00 0.00 C ATOM 821 CD1 LEU A 54 3.486 4.529 7.015 1.00 0.00 C ATOM 822 CD2 LEU A 54 2.729 3.210 8.994 1.00 0.00 C ATOM 0 H LEU A 54 6.740 4.099 9.853 1.00 0.00 H new ATOM 0 HA LEU A 54 5.225 1.543 9.783 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.811 3.286 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.676 1.957 7.508 1.00 0.00 H new ATOM 0 HG LEU A 54 4.385 4.553 8.961 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.679 5.222 7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.323 5.081 6.586 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.130 3.792 6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.967 3.977 9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.322 2.401 8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.031 2.818 9.965 1.00 0.00 H new ATOM 834 N ARG A 55 8.143 1.578 9.793 1.00 0.00 N ATOM 835 CA ARG A 55 9.470 0.992 9.556 1.00 0.00 C ATOM 836 C ARG A 55 9.522 -0.518 9.825 1.00 0.00 C ATOM 837 O ARG A 55 10.609 -1.092 9.820 1.00 0.00 O ATOM 838 CB ARG A 55 10.553 1.777 10.317 1.00 0.00 C ATOM 839 CG ARG A 55 10.633 1.386 11.802 1.00 0.00 C ATOM 840 CD ARG A 55 11.934 0.635 12.129 1.00 0.00 C ATOM 841 NE ARG A 55 11.739 -0.236 13.291 1.00 0.00 N ATOM 842 CZ ARG A 55 12.433 -1.333 13.601 1.00 0.00 C ATOM 843 NH1 ARG A 55 13.596 -1.612 13.025 1.00 0.00 N ATOM 844 NH2 ARG A 55 11.929 -2.145 14.515 1.00 0.00 N ATOM 0 H ARG A 55 8.023 1.923 10.745 1.00 0.00 H new ATOM 0 HA ARG A 55 9.682 1.088 8.491 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.521 1.603 9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.347 2.844 10.237 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.568 2.283 12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.778 0.760 12.059 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.246 0.042 11.269 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.733 1.348 12.330 1.00 0.00 H new ATOM 0 HE ARG A 55 10.991 0.025 13.933 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.983 -0.980 12.324 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.103 -2.459 13.283 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.037 -1.924 14.958 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.432 -2.993 14.777 1.00 0.00 H new ATOM 858 N HIS A 56 8.375 -1.140 10.097 1.00 0.00 N ATOM 859 CA HIS A 56 8.192 -2.567 10.363 1.00 0.00 C ATOM 860 C HIS A 56 9.011 -3.425 9.376 1.00 0.00 C ATOM 861 O HIS A 56 9.236 -3.024 8.238 1.00 0.00 O ATOM 862 CB HIS A 56 6.686 -2.875 10.283 1.00 0.00 C ATOM 863 CG HIS A 56 6.356 -4.329 10.495 1.00 0.00 C ATOM 864 ND1 HIS A 56 5.931 -5.204 9.523 1.00 0.00 N ATOM 865 CD2 HIS A 56 6.473 -5.032 11.664 1.00 0.00 C ATOM 866 CE1 HIS A 56 5.791 -6.411 10.091 1.00 0.00 C ATOM 867 NE2 HIS A 56 6.139 -6.360 11.385 1.00 0.00 N ATOM 0 H HIS A 56 7.493 -0.629 10.140 1.00 0.00 H new ATOM 0 HA HIS A 56 8.560 -2.817 11.358 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.162 -2.279 11.030 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.311 -2.564 9.308 1.00 0.00 H new ATOM 0 HD1 HIS A 56 5.754 -4.976 8.545 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.769 -4.634 12.624 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.447 -7.298 9.579 1.00 0.00 H new ATOM 875 N GLU A 57 9.418 -4.632 9.773 1.00 0.00 N ATOM 876 CA GLU A 57 10.225 -5.537 8.941 1.00 0.00 C ATOM 877 C GLU A 57 9.573 -5.953 7.624 1.00 0.00 C ATOM 878 O GLU A 57 10.278 -6.282 6.672 1.00 0.00 O ATOM 879 CB GLU A 57 10.557 -6.805 9.725 1.00 0.00 C ATOM 880 CG GLU A 57 11.477 -6.520 10.904 1.00 0.00 C ATOM 881 CD GLU A 57 11.862 -7.803 11.637 1.00 0.00 C ATOM 882 OE1 GLU A 57 13.047 -7.930 12.018 1.00 0.00 O ATOM 883 OE2 GLU A 57 10.971 -8.656 11.877 1.00 0.00 O ATOM 0 H GLU A 57 9.196 -5.016 10.691 1.00 0.00 H new ATOM 0 HA GLU A 57 11.117 -4.964 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.635 -7.260 10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.031 -7.528 9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.377 -6.017 10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.982 -5.839 11.596 1.00 0.00 H new ATOM 890 N GLN A 58 8.246 -5.920 7.533 1.00 0.00 N ATOM 891 CA GLN A 58 7.508 -6.295 6.337 1.00 0.00 C ATOM 892 C GLN A 58 6.559 -5.160 5.970 1.00 0.00 C ATOM 893 O GLN A 58 5.644 -4.850 6.746 1.00 0.00 O ATOM 894 CB GLN A 58 6.739 -7.605 6.566 1.00 0.00 C ATOM 895 CG GLN A 58 7.640 -8.857 6.649 1.00 0.00 C ATOM 896 CD GLN A 58 8.329 -9.045 8.004 1.00 0.00 C ATOM 897 OE1 GLN A 58 7.743 -8.769 9.051 1.00 0.00 O ATOM 898 NE2 GLN A 58 9.558 -9.528 8.039 1.00 0.00 N ATOM 0 H GLN A 58 7.646 -5.626 8.304 1.00 0.00 H new ATOM 0 HA GLN A 58 8.202 -6.464 5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.166 -7.521 7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.022 -7.739 5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.037 -9.740 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.402 -8.795 5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.041 -9.756 7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.024 -9.673 8.935 1.00 0.00 H new ATOM 907 N ILE A 59 6.789 -4.512 4.826 1.00 0.00 N ATOM 908 CA ILE A 59 5.955 -3.426 4.336 1.00 0.00 C ATOM 909 C ILE A 59 5.548 -3.720 2.885 1.00 0.00 C ATOM 910 O ILE A 59 6.135 -4.565 2.216 1.00 0.00 O ATOM 911 CB ILE A 59 6.482 -2.006 4.665 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.708 -1.128 3.430 1.00 0.00 C ATOM 913 CG2 ILE A 59 7.651 -1.894 5.668 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.322 0.210 3.778 1.00 0.00 C ATOM 0 H ILE A 59 7.571 -4.734 4.210 1.00 0.00 H new ATOM 0 HA ILE A 59 5.025 -3.394 4.904 1.00 0.00 H new ATOM 0 HB ILE A 59 5.635 -1.600 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.358 -1.652 2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.757 -0.967 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.915 -0.845 5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.350 -2.319 6.626 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.513 -2.439 5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.462 0.794 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.661 0.748 4.457 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.287 0.053 4.260 1.00 0.00 H new ATOM 926 N ILE A 60 4.534 -3.039 2.367 1.00 0.00 N ATOM 927 CA ILE A 60 3.992 -3.213 1.029 1.00 0.00 C ATOM 928 C ILE A 60 3.790 -1.835 0.404 1.00 0.00 C ATOM 929 O ILE A 60 3.751 -0.815 1.096 1.00 0.00 O ATOM 930 CB ILE A 60 2.688 -4.047 1.139 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.994 -5.380 1.862 1.00 0.00 C ATOM 932 CG2 ILE A 60 2.055 -4.335 -0.234 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.873 -6.416 1.864 1.00 0.00 C ATOM 0 H ILE A 60 4.045 -2.316 2.895 1.00 0.00 H new ATOM 0 HA ILE A 60 4.669 -3.760 0.373 1.00 0.00 H new ATOM 0 HB ILE A 60 1.968 -3.459 1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.874 -5.827 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.257 -5.157 2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.146 -4.921 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.811 -3.394 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.760 -4.894 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.202 -7.307 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.994 -6.000 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.621 -6.681 0.837 1.00 0.00 H new ATOM 945 N PHE A 61 3.650 -1.819 -0.917 1.00 0.00 N ATOM 946 CA PHE A 61 3.443 -0.650 -1.749 1.00 0.00 C ATOM 947 C PHE A 61 2.290 -0.908 -2.707 1.00 0.00 C ATOM 948 O PHE A 61 2.117 -2.031 -3.192 1.00 0.00 O ATOM 949 CB PHE A 61 4.746 -0.374 -2.507 1.00 0.00 C ATOM 950 CG PHE A 61 5.693 0.412 -1.635 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.615 1.815 -1.596 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.518 -0.268 -0.728 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.307 2.522 -0.599 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.230 0.444 0.242 1.00 0.00 C ATOM 955 CZ PHE A 61 7.073 1.829 0.343 1.00 0.00 C ATOM 0 H PHE A 61 3.681 -2.679 -1.465 1.00 0.00 H new ATOM 0 HA PHE A 61 3.186 0.221 -1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.209 -1.315 -2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.534 0.181 -3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.026 2.347 -2.329 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.604 -1.343 -0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.247 3.600 -0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.900 -0.075 0.912 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.545 2.366 1.152 1.00 0.00 H new ATOM 965 N HIS A 62 1.512 0.136 -2.996 1.00 0.00 N ATOM 966 CA HIS A 62 0.374 0.081 -3.899 1.00 0.00 C ATOM 967 C HIS A 62 0.161 1.467 -4.527 1.00 0.00 C ATOM 968 O HIS A 62 0.667 2.459 -4.009 1.00 0.00 O ATOM 969 CB HIS A 62 -0.874 -0.362 -3.124 1.00 0.00 C ATOM 970 CG HIS A 62 -1.731 0.801 -2.700 1.00 0.00 C ATOM 971 ND1 HIS A 62 -2.818 1.277 -3.399 1.00 0.00 N ATOM 972 CD2 HIS A 62 -1.441 1.706 -1.716 1.00 0.00 C ATOM 973 CE1 HIS A 62 -3.208 2.420 -2.823 1.00 0.00 C ATOM 974 NE2 HIS A 62 -2.381 2.731 -1.817 1.00 0.00 N ATOM 0 H HIS A 62 1.664 1.062 -2.597 1.00 0.00 H new ATOM 0 HA HIS A 62 0.561 -0.641 -4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.463 -1.036 -3.745 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.569 -0.926 -2.242 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -3.249 0.836 -4.212 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.637 1.639 -0.998 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.064 3.005 -3.125 1.00 0.00 H new ATOM 982 N CYS A 63 -0.580 1.509 -5.634 1.00 0.00 N ATOM 983 CA CYS A 63 -0.976 2.678 -6.414 1.00 0.00 C ATOM 984 C CYS A 63 -2.385 2.331 -6.939 1.00 0.00 C ATOM 985 O CYS A 63 -3.098 1.557 -6.298 1.00 0.00 O ATOM 986 CB CYS A 63 0.039 2.964 -7.539 1.00 0.00 C ATOM 987 SG CYS A 63 1.672 3.347 -6.871 1.00 0.00 S ATOM 0 H CYS A 63 -0.950 0.650 -6.042 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.994 3.597 -5.828 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.108 2.098 -8.198 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.313 3.799 -8.145 1.00 0.00 H new ATOM 0 HG CYS A 63 1.735 2.962 -5.631 1.00 0.00 H new ATOM 1073 N THR A 69 3.598 0.900 -9.214 1.00 0.00 N ATOM 1074 CA THR A 69 4.479 0.437 -8.158 1.00 0.00 C ATOM 1075 C THR A 69 5.697 -0.233 -8.776 1.00 0.00 C ATOM 1076 O THR A 69 6.833 0.162 -8.524 1.00 0.00 O ATOM 1077 CB THR A 69 3.711 -0.583 -7.304 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.911 -1.412 -8.142 1.00 0.00 O ATOM 1079 CG2 THR A 69 2.787 0.065 -6.289 1.00 0.00 C ATOM 0 HA THR A 69 4.806 1.274 -7.542 1.00 0.00 H new ATOM 0 HB THR A 69 4.467 -1.157 -6.768 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.726 -0.945 -8.984 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.274 -0.709 -5.718 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.371 0.689 -5.612 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.052 0.681 -6.807 1.00 0.00 H new ATOM 1087 N SER A 70 5.450 -1.222 -9.638 1.00 0.00 N ATOM 1088 CA SER A 70 6.473 -1.987 -10.324 1.00 0.00 C ATOM 1089 C SER A 70 7.370 -1.066 -11.151 1.00 0.00 C ATOM 1090 O SER A 70 8.545 -1.355 -11.373 1.00 0.00 O ATOM 1091 CB SER A 70 5.772 -3.028 -11.206 1.00 0.00 C ATOM 1092 OG SER A 70 6.655 -3.953 -11.813 1.00 0.00 O ATOM 0 H SER A 70 4.503 -1.515 -9.879 1.00 0.00 H new ATOM 0 HA SER A 70 7.117 -2.492 -9.605 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.049 -3.574 -10.601 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.211 -2.511 -11.985 1.00 0.00 H new ATOM 0 HG SER A 70 6.142 -4.586 -12.358 1.00 0.00 H new ATOM 1098 N ASN A 71 6.810 0.048 -11.617 1.00 0.00 N ATOM 1099 CA ASN A 71 7.510 1.037 -12.432 1.00 0.00 C ATOM 1100 C ASN A 71 8.404 1.974 -11.621 1.00 0.00 C ATOM 1101 O ASN A 71 9.149 2.757 -12.212 1.00 0.00 O ATOM 1102 CB ASN A 71 6.515 1.831 -13.287 1.00 0.00 C ATOM 1103 CG ASN A 71 7.024 2.029 -14.711 1.00 0.00 C ATOM 1104 OD1 ASN A 71 6.323 1.710 -15.665 1.00 0.00 O ATOM 1105 ND2 ASN A 71 8.241 2.499 -14.916 1.00 0.00 N ATOM 0 H ASN A 71 5.837 0.293 -11.435 1.00 0.00 H new ATOM 0 HA ASN A 71 8.179 0.478 -13.086 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.559 1.308 -13.312 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.335 2.803 -12.827 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.597 2.596 -15.867 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.825 2.765 -14.123 1.00 0.00 H new ATOM 1112 N ASN A 72 8.354 1.912 -10.291 1.00 0.00 N ATOM 1113 CA ASN A 72 9.143 2.733 -9.368 1.00 0.00 C ATOM 1114 C ASN A 72 9.766 1.848 -8.282 1.00 0.00 C ATOM 1115 O ASN A 72 10.306 2.343 -7.290 1.00 0.00 O ATOM 1116 CB ASN A 72 8.259 3.831 -8.759 1.00 0.00 C ATOM 1117 CG ASN A 72 7.768 4.807 -9.817 1.00 0.00 C ATOM 1118 OD1 ASN A 72 8.381 5.840 -10.068 1.00 0.00 O ATOM 1119 ND2 ASN A 72 6.669 4.500 -10.483 1.00 0.00 N ATOM 0 H ASN A 72 7.737 1.261 -9.805 1.00 0.00 H new ATOM 0 HA ASN A 72 9.954 3.217 -9.913 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.404 3.375 -8.259 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.822 4.372 -7.998 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.324 5.124 -11.212 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.166 3.639 -10.268 1.00 0.00 H new ATOM 1126 N ALA A 73 9.714 0.526 -8.488 1.00 0.00 N ATOM 1127 CA ALA A 73 10.218 -0.504 -7.600 1.00 0.00 C ATOM 1128 C ALA A 73 11.680 -0.298 -7.200 1.00 0.00 C ATOM 1129 O ALA A 73 12.081 -0.781 -6.145 1.00 0.00 O ATOM 1130 CB ALA A 73 10.049 -1.857 -8.304 1.00 0.00 C ATOM 0 H ALA A 73 9.293 0.134 -9.330 1.00 0.00 H new ATOM 0 HA ALA A 73 9.647 -0.462 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.421 -2.652 -7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.994 -2.027 -8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.612 -1.855 -9.237 1.00 0.00 H new ATOM 1136 N ASP A 74 12.485 0.390 -8.007 1.00 0.00 N ATOM 1137 CA ASP A 74 13.896 0.625 -7.710 1.00 0.00 C ATOM 1138 C ASP A 74 14.014 1.630 -6.562 1.00 0.00 C ATOM 1139 O ASP A 74 14.611 1.329 -5.525 1.00 0.00 O ATOM 1140 CB ASP A 74 14.657 1.107 -8.955 1.00 0.00 C ATOM 1141 CG ASP A 74 15.023 -0.006 -9.940 1.00 0.00 C ATOM 1142 OD1 ASP A 74 14.268 -0.992 -10.075 1.00 0.00 O ATOM 1143 OD2 ASP A 74 16.053 0.141 -10.641 1.00 0.00 O ATOM 0 H ASP A 74 12.176 0.801 -8.888 1.00 0.00 H new ATOM 0 HA ASP A 74 14.353 -0.316 -7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.050 1.849 -9.473 1.00 0.00 H new ATOM 0 HB3 ASP A 74 15.571 1.609 -8.636 1.00 0.00 H new ATOM 1148 N LYS A 75 13.468 2.843 -6.714 1.00 0.00 N ATOM 1149 CA LYS A 75 13.516 3.880 -5.677 1.00 0.00 C ATOM 1150 C LYS A 75 12.858 3.390 -4.400 1.00 0.00 C ATOM 1151 O LYS A 75 13.465 3.402 -3.330 1.00 0.00 O ATOM 1152 CB LYS A 75 12.838 5.179 -6.172 1.00 0.00 C ATOM 1153 CG LYS A 75 13.885 6.188 -6.667 1.00 0.00 C ATOM 1154 CD LYS A 75 14.593 6.851 -5.479 1.00 0.00 C ATOM 1155 CE LYS A 75 13.875 8.134 -5.036 1.00 0.00 C ATOM 1156 NZ LYS A 75 14.590 9.375 -5.399 1.00 0.00 N ATOM 0 H LYS A 75 12.980 3.133 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 75 14.562 4.099 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.142 4.946 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.255 5.621 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.616 5.683 -7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.404 6.948 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.637 6.151 -4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.622 7.085 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.881 8.155 -5.482 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.739 8.108 -3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.919 10.169 -5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.332 9.566 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.023 9.264 -6.338 1.00 0.00 H new ATOM 1170 N LEU A 76 11.621 2.930 -4.535 1.00 0.00 N ATOM 1171 CA LEU A 76 10.799 2.429 -3.439 1.00 0.00 C ATOM 1172 C LEU A 76 11.450 1.267 -2.678 1.00 0.00 C ATOM 1173 O LEU A 76 11.076 1.032 -1.530 1.00 0.00 O ATOM 1174 CB LEU A 76 9.405 2.033 -3.960 1.00 0.00 C ATOM 1175 CG LEU A 76 8.607 3.190 -4.600 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.366 2.628 -5.298 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.194 4.255 -3.574 1.00 0.00 C ATOM 0 H LEU A 76 11.147 2.894 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 76 10.699 3.242 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.519 1.237 -4.696 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.825 1.623 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 76 9.258 3.679 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.802 3.444 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.671 1.925 -6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.740 2.114 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.636 5.046 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.568 3.798 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.085 4.678 -3.110 1.00 0.00 H new ATOM 1189 N ALA A 77 12.376 0.521 -3.288 1.00 0.00 N ATOM 1190 CA ALA A 77 13.063 -0.591 -2.636 1.00 0.00 C ATOM 1191 C ALA A 77 14.111 -0.009 -1.699 1.00 0.00 C ATOM 1192 O ALA A 77 14.049 -0.247 -0.499 1.00 0.00 O ATOM 1193 CB ALA A 77 13.741 -1.540 -3.637 1.00 0.00 C ATOM 0 H ALA A 77 12.669 0.675 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 77 12.323 -1.181 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.235 -2.347 -3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.990 -1.959 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.479 -0.988 -4.219 1.00 0.00 H new ATOM 1199 N ALA A 78 15.056 0.755 -2.257 1.00 0.00 N ATOM 1200 CA ALA A 78 16.152 1.398 -1.540 1.00 0.00 C ATOM 1201 C ALA A 78 15.649 2.183 -0.325 1.00 0.00 C ATOM 1202 O ALA A 78 16.173 2.045 0.777 1.00 0.00 O ATOM 1203 CB ALA A 78 16.886 2.321 -2.519 1.00 0.00 C ATOM 0 H ALA A 78 15.075 0.947 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 78 16.831 0.636 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.711 2.814 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.275 1.734 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.194 3.073 -2.899 1.00 0.00 H new ATOM 1209 N ILE A 79 14.602 2.977 -0.537 1.00 0.00 N ATOM 1210 CA ILE A 79 13.955 3.821 0.451 1.00 0.00 C ATOM 1211 C ILE A 79 13.450 3.028 1.679 1.00 0.00 C ATOM 1212 O ILE A 79 13.437 3.579 2.784 1.00 0.00 O ATOM 1213 CB ILE A 79 12.821 4.570 -0.290 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.364 5.812 -1.031 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.695 5.005 0.633 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.292 6.631 -1.773 1.00 0.00 C ATOM 0 H ILE A 79 14.162 3.049 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 79 14.667 4.529 0.875 1.00 0.00 H new ATOM 0 HB ILE A 79 12.416 3.854 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.864 6.459 -0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.119 5.490 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.931 5.524 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.256 4.129 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.089 5.675 1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.761 7.483 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.807 6.003 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.548 6.987 -1.060 1.00 0.00 H new ATOM 1228 N ALA A 80 12.993 1.780 1.510 1.00 0.00 N ATOM 1229 CA ALA A 80 12.443 0.949 2.584 1.00 0.00 C ATOM 1230 C ALA A 80 13.313 -0.246 2.993 1.00 0.00 C ATOM 1231 O ALA A 80 12.928 -0.998 3.884 1.00 0.00 O ATOM 1232 CB ALA A 80 11.051 0.535 2.144 1.00 0.00 C ATOM 0 H ALA A 80 12.996 1.312 0.604 1.00 0.00 H new ATOM 0 HA ALA A 80 12.412 1.537 3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.597 -0.089 2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.439 1.424 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.116 -0.028 1.213 1.00 0.00 H new ATOM 1238 N ALA A 81 14.449 -0.465 2.331 1.00 0.00 N ATOM 1239 CA ALA A 81 15.376 -1.548 2.647 1.00 0.00 C ATOM 1240 C ALA A 81 16.039 -1.229 4.001 1.00 0.00 C ATOM 1241 O ALA A 81 15.999 -0.072 4.428 1.00 0.00 O ATOM 1242 CB ALA A 81 16.399 -1.610 1.511 1.00 0.00 C ATOM 0 H ALA A 81 14.754 0.114 1.549 1.00 0.00 H new ATOM 0 HA ALA A 81 14.882 -2.516 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.114 -2.409 1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.886 -1.806 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.927 -0.659 1.445 1.00 0.00 H new ATOM 1248 N PRO A 82 16.715 -2.176 4.682 1.00 0.00 N ATOM 1249 CA PRO A 82 16.964 -3.580 4.326 1.00 0.00 C ATOM 1250 C PRO A 82 15.753 -4.505 4.492 1.00 0.00 C ATOM 1251 O PRO A 82 15.867 -5.697 4.209 1.00 0.00 O ATOM 1252 CB PRO A 82 18.093 -4.012 5.274 1.00 0.00 C ATOM 1253 CG PRO A 82 17.831 -3.189 6.527 1.00 0.00 C ATOM 1254 CD PRO A 82 17.381 -1.859 5.936 1.00 0.00 C ATOM 0 HA PRO A 82 17.210 -3.657 3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 82 18.058 -5.082 5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 82 19.076 -3.801 4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.063 -3.637 7.158 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.725 -3.082 7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.705 -1.340 6.615 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.233 -1.200 5.769 1.00 0.00 H new ATOM 1262 N ALA A 83 14.629 -3.971 4.958 1.00 0.00 N ATOM 1263 CA ALA A 83 13.390 -4.690 5.192 1.00 0.00 C ATOM 1264 C ALA A 83 12.741 -5.212 3.892 1.00 0.00 C ATOM 1265 O ALA A 83 12.999 -4.720 2.785 1.00 0.00 O ATOM 1266 CB ALA A 83 12.511 -3.727 5.974 1.00 0.00 C ATOM 0 H ALA A 83 14.558 -2.981 5.192 1.00 0.00 H new ATOM 0 HA ALA A 83 13.558 -5.606 5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.553 -4.201 6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.003 -3.463 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.345 -2.825 5.385 1.00 0.00 H new ATOM 1272 N GLU A 84 11.865 -6.203 4.041 1.00 0.00 N ATOM 1273 CA GLU A 84 11.138 -6.876 2.963 1.00 0.00 C ATOM 1274 C GLU A 84 9.961 -6.052 2.449 1.00 0.00 C ATOM 1275 O GLU A 84 9.027 -5.791 3.213 1.00 0.00 O ATOM 1276 CB GLU A 84 10.567 -8.222 3.435 1.00 0.00 C ATOM 1277 CG GLU A 84 11.637 -9.238 3.811 1.00 0.00 C ATOM 1278 CD GLU A 84 11.988 -9.212 5.296 1.00 0.00 C ATOM 1279 OE1 GLU A 84 12.871 -8.417 5.693 1.00 0.00 O ATOM 1280 OE2 GLU A 84 11.449 -10.076 6.029 1.00 0.00 O ATOM 0 H GLU A 84 11.630 -6.578 4.960 1.00 0.00 H new ATOM 0 HA GLU A 84 11.868 -7.016 2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.921 -8.051 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.942 -8.640 2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.293 -10.237 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.537 -9.043 3.227 1.00 0.00 H new ATOM 1287 N ILE A 85 9.983 -5.650 1.177 1.00 0.00 N ATOM 1288 CA ILE A 85 8.915 -4.869 0.560 1.00 0.00 C ATOM 1289 C ILE A 85 8.183 -5.743 -0.455 1.00 0.00 C ATOM 1290 O ILE A 85 8.813 -6.503 -1.197 1.00 0.00 O ATOM 1291 CB ILE A 85 9.484 -3.565 -0.056 1.00 0.00 C ATOM 1292 CG1 ILE A 85 9.295 -2.394 0.906 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.755 -3.114 -1.336 1.00 0.00 C ATOM 1294 CD1 ILE A 85 9.832 -2.620 2.319 1.00 0.00 C ATOM 0 H ILE A 85 10.752 -5.861 0.541 1.00 0.00 H new ATOM 0 HA ILE A 85 8.189 -4.556 1.310 1.00 0.00 H new ATOM 0 HB ILE A 85 10.527 -3.801 -0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.784 -1.516 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.231 -2.166 0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.209 -2.196 -1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.836 -3.893 -2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.704 -2.934 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.650 -1.732 2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.326 -3.475 2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.904 -2.815 2.274 1.00 0.00 H new ATOM 1306 N PHE A 86 6.864 -5.561 -0.544 1.00 0.00 N ATOM 1307 CA PHE A 86 6.003 -6.281 -1.469 1.00 0.00 C ATOM 1308 C PHE A 86 5.103 -5.322 -2.243 1.00 0.00 C ATOM 1309 O PHE A 86 5.141 -4.106 -2.033 1.00 0.00 O ATOM 1310 CB PHE A 86 5.229 -7.410 -0.766 1.00 0.00 C ATOM 1311 CG PHE A 86 6.029 -8.301 0.174 1.00 0.00 C ATOM 1312 CD1 PHE A 86 6.348 -7.872 1.478 1.00 0.00 C ATOM 1313 CD2 PHE A 86 6.401 -9.596 -0.225 1.00 0.00 C ATOM 1314 CE1 PHE A 86 7.047 -8.709 2.363 1.00 0.00 C ATOM 1315 CE2 PHE A 86 7.097 -10.437 0.661 1.00 0.00 C ATOM 1316 CZ PHE A 86 7.419 -10.001 1.958 1.00 0.00 C ATOM 0 H PHE A 86 6.359 -4.894 0.040 1.00 0.00 H new ATOM 0 HA PHE A 86 6.635 -6.773 -2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.413 -6.962 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.777 -8.041 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.051 -6.885 1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.151 -9.946 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.298 -8.359 3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.387 -11.427 0.342 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.948 -10.654 2.637 1.00 0.00 H new ATOM 1326 N LEU A 87 4.307 -5.873 -3.159 1.00 0.00 N ATOM 1327 CA LEU A 87 3.393 -5.166 -4.036 1.00 0.00 C ATOM 1328 C LEU A 87 2.003 -5.784 -3.938 1.00 0.00 C ATOM 1329 O LEU A 87 1.822 -6.946 -4.314 1.00 0.00 O ATOM 1330 CB LEU A 87 3.914 -5.287 -5.480 1.00 0.00 C ATOM 1331 CG LEU A 87 4.455 -3.985 -6.071 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.770 -3.462 -5.480 1.00 0.00 C ATOM 1333 CD2 LEU A 87 4.669 -4.169 -7.579 1.00 0.00 C ATOM 0 H LEU A 87 4.287 -6.881 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 87 3.332 -4.117 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.703 -6.038 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.106 -5.651 -6.115 1.00 0.00 H new ATOM 0 HG LEU A 87 3.697 -3.242 -5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.050 -2.535 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.641 -3.275 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.555 -4.204 -5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.055 -3.244 -8.007 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.384 -4.974 -7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.720 -4.420 -8.053 1.00 0.00 H new ATOM 1345 N LEU A 88 1.031 -5.013 -3.447 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.357 -5.460 -3.308 1.00 0.00 C ATOM 1347 C LEU A 88 -1.043 -5.414 -4.672 1.00 0.00 C ATOM 1348 O LEU A 88 -1.621 -4.388 -5.037 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.125 -4.707 -2.201 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.026 -5.671 -1.393 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -2.466 -5.010 -0.086 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.274 -6.144 -2.151 1.00 0.00 C ATOM 0 H LEU A 88 1.185 -4.055 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.358 -6.495 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.417 -4.218 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.735 -3.922 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.414 -6.553 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.100 -5.698 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.588 -4.760 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.025 -4.101 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.852 -6.816 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.885 -5.282 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.972 -6.670 -3.057 1.00 0.00 H new ATOM 1364 N GLU A 89 -0.938 -6.528 -5.404 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.439 -6.850 -6.740 1.00 0.00 C ATOM 1366 C GLU A 89 -2.000 -5.640 -7.494 1.00 0.00 C ATOM 1367 O GLU A 89 -3.132 -5.193 -7.273 1.00 0.00 O ATOM 1368 CB GLU A 89 -2.392 -8.065 -6.739 1.00 0.00 C ATOM 1369 CG GLU A 89 -2.992 -8.278 -8.144 1.00 0.00 C ATOM 1370 CD GLU A 89 -3.626 -9.649 -8.398 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -3.415 -10.178 -9.512 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -4.396 -10.168 -7.565 1.00 0.00 O ATOM 0 H GLU A 89 -0.433 -7.327 -5.021 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.565 -7.154 -7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.852 -8.959 -6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.192 -7.908 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.748 -7.512 -8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.205 -8.120 -8.882 1.00 0.00 H new ATOM 1379 N ASP A 90 -1.173 -5.098 -8.388 1.00 0.00 N ATOM 1380 CA ASP A 90 -1.435 -3.955 -9.262 1.00 0.00 C ATOM 1381 C ASP A 90 -1.457 -2.615 -8.534 1.00 0.00 C ATOM 1382 O ASP A 90 -0.859 -1.643 -8.992 1.00 0.00 O ATOM 1383 CB ASP A 90 -2.740 -4.151 -10.046 1.00 0.00 C ATOM 1384 CG ASP A 90 -2.523 -3.826 -11.506 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -2.253 -4.785 -12.266 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -2.598 -2.639 -11.885 1.00 0.00 O ATOM 0 H ASP A 90 -0.235 -5.473 -8.530 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.594 -3.917 -9.954 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.085 -5.180 -9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.520 -3.510 -9.635 1.00 0.00 H new ATOM 1391 N GLY A 91 -2.160 -2.542 -7.408 1.00 0.00 N ATOM 1392 CA GLY A 91 -2.285 -1.349 -6.601 1.00 0.00 C ATOM 1393 C GLY A 91 -3.617 -1.327 -5.861 1.00 0.00 C ATOM 1394 O GLY A 91 -3.649 -1.117 -4.653 1.00 0.00 O ATOM 0 H GLY A 91 -2.671 -3.339 -7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.466 -1.304 -5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.203 -0.466 -7.235 1.00 0.00 H new ATOM 1398 N ILE A 92 -4.728 -1.513 -6.568 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.062 -1.536 -5.955 1.00 0.00 C ATOM 1400 C ILE A 92 -6.913 -2.648 -6.576 1.00 0.00 C ATOM 1401 O ILE A 92 -7.886 -3.107 -5.981 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.690 -0.123 -5.997 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.885 0.071 -5.049 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.166 0.276 -7.390 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -7.437 0.117 -3.600 1.00 0.00 C ATOM 0 H ILE A 92 -4.734 -1.652 -7.578 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.996 -1.789 -4.897 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.866 0.511 -5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.405 0.995 -5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.597 -0.743 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.597 1.277 -7.355 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.321 0.269 -8.079 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.921 -0.432 -7.733 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.305 0.255 -2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.939 -0.818 -3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.745 0.947 -3.459 1.00 0.00 H new ATOM 1417 N ASP A 93 -6.532 -3.096 -7.778 1.00 0.00 N ATOM 1418 CA ASP A 93 -7.199 -4.159 -8.516 1.00 0.00 C ATOM 1419 C ASP A 93 -7.177 -5.442 -7.693 1.00 0.00 C ATOM 1420 O ASP A 93 -8.165 -6.163 -7.663 1.00 0.00 O ATOM 1421 CB ASP A 93 -6.460 -4.360 -9.838 1.00 0.00 C ATOM 1422 CG ASP A 93 -7.061 -5.434 -10.733 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -8.301 -5.480 -10.915 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -6.259 -6.163 -11.361 1.00 0.00 O ATOM 0 H ASP A 93 -5.726 -2.713 -8.273 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.238 -3.895 -8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.448 -3.415 -10.382 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.423 -4.619 -9.626 1.00 0.00 H new ATOM 1429 N GLY A 94 -6.061 -5.709 -7.012 1.00 0.00 N ATOM 1430 CA GLY A 94 -5.863 -6.867 -6.169 1.00 0.00 C ATOM 1431 C GLY A 94 -6.814 -6.848 -4.982 1.00 0.00 C ATOM 1432 O GLY A 94 -7.459 -7.860 -4.719 1.00 0.00 O ATOM 0 H GLY A 94 -5.246 -5.096 -7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.020 -7.775 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.833 -6.890 -5.814 1.00 0.00 H new ATOM 1436 N TRP A 95 -6.930 -5.711 -4.280 1.00 0.00 N ATOM 1437 CA TRP A 95 -7.819 -5.609 -3.127 1.00 0.00 C ATOM 1438 C TRP A 95 -9.238 -6.040 -3.552 1.00 0.00 C ATOM 1439 O TRP A 95 -9.796 -7.018 -3.044 1.00 0.00 O ATOM 1440 CB TRP A 95 -7.877 -4.221 -2.504 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.832 -4.228 -1.346 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.927 -3.449 -1.236 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -8.862 -5.134 -0.189 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -10.516 -3.675 -0.010 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -9.905 -4.707 0.680 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -8.045 -6.197 0.278 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -10.125 -5.311 1.935 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -8.232 -6.756 1.555 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -9.274 -6.329 2.391 1.00 0.00 C ATOM 0 H TRP A 95 -6.419 -4.855 -4.494 1.00 0.00 H new ATOM 0 HA TRP A 95 -7.411 -6.267 -2.359 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.885 -3.920 -2.168 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.197 -3.491 -3.247 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.285 -2.760 -1.987 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -11.310 -3.143 0.347 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.264 -6.584 -0.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -10.953 -4.988 2.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -7.560 -7.529 1.898 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -9.418 -6.774 3.364 1.00 0.00 H new ATOM 1460 N LYS A 96 -9.820 -5.321 -4.528 1.00 0.00 N ATOM 1461 CA LYS A 96 -11.172 -5.626 -4.991 1.00 0.00 C ATOM 1462 C LYS A 96 -11.275 -6.973 -5.701 1.00 0.00 C ATOM 1463 O LYS A 96 -12.383 -7.492 -5.805 1.00 0.00 O ATOM 1464 CB LYS A 96 -11.817 -4.445 -5.740 1.00 0.00 C ATOM 1465 CG LYS A 96 -11.199 -3.974 -7.065 1.00 0.00 C ATOM 1466 CD LYS A 96 -11.376 -4.971 -8.215 1.00 0.00 C ATOM 1467 CE LYS A 96 -11.295 -4.256 -9.566 1.00 0.00 C ATOM 1468 NZ LYS A 96 -11.079 -5.213 -10.665 1.00 0.00 N ATOM 0 H LYS A 96 -9.376 -4.535 -5.003 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.788 -5.756 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.856 -4.709 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.828 -3.592 -5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.649 -3.023 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.135 -3.791 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.606 -5.740 -8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.338 -5.475 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.216 -3.699 -9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.482 -3.530 -9.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.360 -4.776 -11.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.073 -5.474 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.651 -6.066 -10.500 1.00 0.00 H new ATOM 1482 N LYS A 97 -10.180 -7.580 -6.181 1.00 0.00 N ATOM 1483 CA LYS A 97 -10.242 -8.895 -6.831 1.00 0.00 C ATOM 1484 C LYS A 97 -10.744 -9.911 -5.805 1.00 0.00 C ATOM 1485 O LYS A 97 -11.472 -10.829 -6.177 1.00 0.00 O ATOM 1486 CB LYS A 97 -8.872 -9.316 -7.397 1.00 0.00 C ATOM 1487 CG LYS A 97 -8.728 -9.056 -8.903 1.00 0.00 C ATOM 1488 CD LYS A 97 -7.252 -9.154 -9.320 1.00 0.00 C ATOM 1489 CE LYS A 97 -7.065 -9.543 -10.790 1.00 0.00 C ATOM 1490 NZ LYS A 97 -7.575 -8.550 -11.752 1.00 0.00 N ATOM 0 H LYS A 97 -9.243 -7.181 -6.131 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.926 -8.847 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -8.087 -8.777 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.718 -10.377 -7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.320 -9.780 -9.463 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.118 -8.068 -9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.766 -8.195 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.751 -9.889 -8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.003 -9.702 -10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.566 -10.494 -10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.694 -8.998 -12.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.492 -8.187 -11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.899 -7.763 -11.830 1.00 0.00 H new ATOM 1504 N ALA A 98 -10.387 -9.748 -4.527 1.00 0.00 N ATOM 1505 CA ALA A 98 -10.825 -10.633 -3.457 1.00 0.00 C ATOM 1506 C ALA A 98 -12.297 -10.376 -3.081 1.00 0.00 C ATOM 1507 O ALA A 98 -12.869 -11.097 -2.261 1.00 0.00 O ATOM 1508 CB ALA A 98 -9.924 -10.420 -2.242 1.00 0.00 C ATOM 0 H ALA A 98 -9.781 -8.991 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.752 -11.665 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.242 -11.078 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.892 -10.647 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.994 -9.383 -1.915 1.00 0.00 H new ATOM 1514 N GLY A 99 -12.915 -9.329 -3.637 1.00 0.00 N ATOM 1515 CA GLY A 99 -14.295 -8.923 -3.412 1.00 0.00 C ATOM 1516 C GLY A 99 -14.510 -8.143 -2.116 1.00 0.00 C ATOM 1517 O GLY A 99 -15.650 -7.807 -1.774 1.00 0.00 O ATOM 0 H GLY A 99 -12.434 -8.712 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.624 -8.311 -4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.927 -9.811 -3.398 1.00 0.00 H new ATOM 1521 N LEU A 100 -13.430 -7.854 -1.399 1.00 0.00 N ATOM 1522 CA LEU A 100 -13.432 -7.147 -0.131 1.00 0.00 C ATOM 1523 C LEU A 100 -13.584 -5.633 -0.351 1.00 0.00 C ATOM 1524 O LEU A 100 -13.055 -5.122 -1.338 1.00 0.00 O ATOM 1525 CB LEU A 100 -12.103 -7.443 0.572 1.00 0.00 C ATOM 1526 CG LEU A 100 -11.776 -8.936 0.778 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -10.287 -9.107 1.059 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -12.583 -9.535 1.931 1.00 0.00 C ATOM 0 H LEU A 100 -12.492 -8.118 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.273 -7.480 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.298 -6.990 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.111 -6.953 1.546 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.045 -9.464 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.063 -10.164 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.711 -8.726 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.021 -8.553 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.326 -10.588 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.351 -9.002 2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.648 -9.443 1.716 1.00 0.00 H new ATOM 1540 N PRO A 101 -14.274 -4.903 0.544 1.00 0.00 N ATOM 1541 CA PRO A 101 -14.471 -3.464 0.435 1.00 0.00 C ATOM 1542 C PRO A 101 -13.359 -2.679 1.142 1.00 0.00 C ATOM 1543 O PRO A 101 -12.691 -3.189 2.043 1.00 0.00 O ATOM 1544 CB PRO A 101 -15.787 -3.232 1.178 1.00 0.00 C ATOM 1545 CG PRO A 101 -15.705 -4.221 2.342 1.00 0.00 C ATOM 1546 CD PRO A 101 -14.948 -5.405 1.734 1.00 0.00 C ATOM 0 HA PRO A 101 -14.471 -3.134 -0.604 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.877 -2.204 1.528 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -16.650 -3.429 0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -15.174 -3.798 3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.694 -4.512 2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.228 -5.810 2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.634 -6.213 1.479 1.00 0.00 H new ATOM 1554 N VAL A 102 -13.107 -1.439 0.732 1.00 0.00 N ATOM 1555 CA VAL A 102 -12.128 -0.553 1.336 1.00 0.00 C ATOM 1556 C VAL A 102 -12.806 0.104 2.560 1.00 0.00 C ATOM 1557 O VAL A 102 -14.025 -0.005 2.717 1.00 0.00 O ATOM 1558 CB VAL A 102 -11.665 0.449 0.256 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -10.569 -0.174 -0.606 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -12.770 0.915 -0.716 1.00 0.00 C ATOM 0 H VAL A 102 -13.597 -1.014 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.233 -1.063 1.692 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.323 1.315 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.251 0.542 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.719 -0.439 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.954 -1.070 -1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.349 1.616 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.178 0.053 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.565 1.406 -0.155 1.00 0.00 H new ATOM 1570 N ALA A 103 -12.065 0.842 3.395 1.00 0.00 N ATOM 1571 CA ALA A 103 -12.602 1.496 4.593 1.00 0.00 C ATOM 1572 C ALA A 103 -13.349 2.784 4.223 1.00 0.00 C ATOM 1573 O ALA A 103 -12.842 3.895 4.388 1.00 0.00 O ATOM 1574 CB ALA A 103 -11.436 1.815 5.533 1.00 0.00 C ATOM 0 H ALA A 103 -11.067 1.003 3.256 1.00 0.00 H new ATOM 0 HA ALA A 103 -13.311 0.830 5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.815 2.302 6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.928 0.891 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.734 2.479 5.029 1.00 0.00 H new ATOM 1580 N VAL A 104 -14.532 2.656 3.623 1.00 0.00 N ATOM 1581 CA VAL A 104 -15.359 3.791 3.195 1.00 0.00 C ATOM 1582 C VAL A 104 -16.107 4.376 4.404 1.00 0.00 C ATOM 1583 O VAL A 104 -16.126 3.773 5.481 1.00 0.00 O ATOM 1584 CB VAL A 104 -16.384 3.340 2.118 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -15.820 3.461 0.700 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -16.877 1.896 2.295 1.00 0.00 C ATOM 0 H VAL A 104 -14.951 1.750 3.416 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.708 4.553 2.766 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.225 4.019 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.571 3.135 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -15.554 4.499 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.933 2.835 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -17.589 1.655 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -16.029 1.213 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -17.363 1.794 3.265 1.00 0.00 H new ATOM 1596 N ASN A 105 -16.738 5.539 4.239 1.00 0.00 N ATOM 1597 CA ASN A 105 -17.517 6.223 5.264 1.00 0.00 C ATOM 1598 C ASN A 105 -18.882 6.512 4.653 1.00 0.00 C ATOM 1599 O ASN A 105 -19.108 7.594 4.116 1.00 0.00 O ATOM 1600 CB ASN A 105 -16.832 7.498 5.778 1.00 0.00 C ATOM 1601 CG ASN A 105 -17.663 8.084 6.915 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -18.198 7.341 7.735 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -17.820 9.392 7.014 1.00 0.00 N ATOM 0 H ASN A 105 -16.718 6.047 3.354 1.00 0.00 H new ATOM 0 HA ASN A 105 -17.614 5.591 6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -15.825 7.270 6.127 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -16.733 8.224 4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -18.384 9.782 7.769 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -17.377 10.012 6.335 1.00 0.00 H new