USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 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 44 GLN : amide:sc= -0.0179 K(o=-0.01,f=-1.1) USER MOD Set 1.2: A 75 SER OG : rot -160:sc= 0.00782 USER MOD Set 2.1: A 52 SER OG : rot 77:sc= 1.7 USER MOD Set 2.2: A 81 TYR OH : rot -44:sc= 0.891 USER MOD Set 3.1: A 15 ASN : amide:sc= 0.434 K(o=0.62,f=-4.8!) USER MOD Set 3.2: A 35 ASN : amide:sc= 0.188 X(o=0.62,f=0.13) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.64) USER MOD Single : A 37 THR OG1 : rot 165:sc=0.000371 USER MOD Single : A 40 SER OG : rot 180:sc=-0.00096 USER MOD Single : A 42 ASN : amide:sc= -0.845 K(o=-0.85,f=-2.2!) USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= 0.678 (180deg=0.533) USER MOD Single : A 53 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.25) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ -131:sc= -0.175 (180deg=-1.51!) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0.57 (180deg=0.524) USER MOD Single : A 58 LYS NZ :NH3+ -125:sc= 0.735 (180deg=-0.0303) USER MOD Single : A 62 HIS : no HD1:sc= -3.36 K(o=-3.4,f=-4.1!) USER MOD Single : A 63 CYS SG : rot 40:sc= -2.02! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -158:sc= -0.307 (180deg=-1.33) USER MOD Single : A 77 HIS : no HD1:sc= -0.852 K(o=-0.85,f=-3.2!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -1.91 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 142:sc= -0.456 (180deg=-2.36!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 160:sc= -1.4 (180deg=-1.93) USER MOD Single : A 102 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -5.534 12.836 -6.696 1.00 0.00 N ATOM 21 CA LEU A 2 -4.861 11.554 -6.391 1.00 0.00 C ATOM 22 C LEU A 2 -5.748 10.353 -6.759 1.00 0.00 C ATOM 23 O LEU A 2 -5.276 9.225 -6.789 1.00 0.00 O ATOM 24 CB LEU A 2 -4.424 11.451 -4.907 1.00 0.00 C ATOM 25 CG LEU A 2 -5.464 10.889 -3.885 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.763 10.450 -2.594 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.588 11.905 -3.603 1.00 0.00 C ATOM 0 HA LEU A 2 -3.961 11.531 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.535 10.823 -4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.129 12.446 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.935 10.012 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.502 10.061 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.034 9.672 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.254 11.304 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.292 11.479 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.158 12.818 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.110 12.138 -4.531 1.00 0.00 H new ATOM 39 N GLU A 3 -7.044 10.605 -6.998 1.00 0.00 N ATOM 40 CA GLU A 3 -7.993 9.576 -7.494 1.00 0.00 C ATOM 41 C GLU A 3 -7.575 9.058 -8.891 1.00 0.00 C ATOM 42 O GLU A 3 -8.074 8.031 -9.354 1.00 0.00 O ATOM 43 CB GLU A 3 -9.472 10.085 -7.488 1.00 0.00 C ATOM 44 CG GLU A 3 -9.690 11.562 -7.911 1.00 0.00 C ATOM 45 CD GLU A 3 -9.635 12.566 -6.729 1.00 0.00 C ATOM 46 OE1 GLU A 3 -10.670 12.770 -6.063 1.00 0.00 O ATOM 47 OE2 GLU A 3 -8.559 13.139 -6.451 1.00 0.00 O ATOM 0 H GLU A 3 -7.470 11.521 -6.856 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.948 8.737 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.056 9.449 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.876 9.953 -6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.931 11.836 -8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.657 11.650 -8.405 1.00 0.00 H new ATOM 54 N ASP A 4 -6.671 9.805 -9.547 1.00 0.00 N ATOM 55 CA ASP A 4 -5.951 9.367 -10.756 1.00 0.00 C ATOM 56 C ASP A 4 -4.974 8.213 -10.412 1.00 0.00 C ATOM 57 O ASP A 4 -4.826 7.264 -11.181 1.00 0.00 O ATOM 58 CB ASP A 4 -5.170 10.576 -11.344 1.00 0.00 C ATOM 59 CG ASP A 4 -4.420 10.256 -12.652 1.00 0.00 C ATOM 60 OD1 ASP A 4 -5.042 10.319 -13.733 1.00 0.00 O ATOM 61 OD2 ASP A 4 -3.208 9.943 -12.600 1.00 0.00 O ATOM 0 H ASP A 4 -6.415 10.746 -9.247 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.665 9.000 -11.493 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.868 11.393 -11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.453 10.929 -10.602 1.00 0.00 H new ATOM 66 N TYR A 5 -4.331 8.319 -9.233 1.00 0.00 N ATOM 67 CA TYR A 5 -3.341 7.336 -8.711 1.00 0.00 C ATOM 68 C TYR A 5 -4.031 6.076 -8.125 1.00 0.00 C ATOM 69 O TYR A 5 -3.351 5.201 -7.562 1.00 0.00 O ATOM 70 CB TYR A 5 -2.456 8.009 -7.610 1.00 0.00 C ATOM 71 CG TYR A 5 -1.528 9.153 -8.093 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.000 10.197 -8.904 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.175 9.188 -7.734 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.168 11.211 -9.332 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.656 10.205 -8.163 1.00 0.00 C ATOM 76 CZ TYR A 5 0.155 11.212 -8.959 1.00 0.00 C ATOM 77 OH TYR A 5 0.979 12.225 -9.381 1.00 0.00 O ATOM 0 H TYR A 5 -4.483 9.103 -8.599 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.719 7.018 -9.547 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.112 8.403 -6.834 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.840 7.239 -7.146 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.039 10.207 -9.200 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.227 8.404 -7.109 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.555 12.001 -9.958 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.697 10.211 -7.875 1.00 0.00 H new ATOM 0 HH TYR A 5 1.882 12.079 -9.030 1.00 0.00 H new ATOM 87 N ALA A 6 -5.380 6.007 -8.230 1.00 0.00 N ATOM 88 CA ALA A 6 -6.174 4.856 -7.766 1.00 0.00 C ATOM 89 C ALA A 6 -5.969 3.645 -8.687 1.00 0.00 C ATOM 90 O ALA A 6 -6.670 3.498 -9.699 1.00 0.00 O ATOM 91 CB ALA A 6 -7.670 5.225 -7.674 1.00 0.00 C ATOM 0 H ALA A 6 -5.944 6.752 -8.640 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.828 4.586 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.237 4.360 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.799 6.048 -6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.031 5.528 -8.657 1.00 0.00 H new ATOM 97 N ILE A 7 -4.977 2.811 -8.358 1.00 0.00 N ATOM 98 CA ILE A 7 -4.677 1.587 -9.112 1.00 0.00 C ATOM 99 C ILE A 7 -5.568 0.443 -8.593 1.00 0.00 C ATOM 100 O ILE A 7 -5.662 0.230 -7.377 1.00 0.00 O ATOM 101 CB ILE A 7 -3.148 1.213 -9.020 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.269 2.446 -9.456 1.00 0.00 C ATOM 103 CG2 ILE A 7 -2.826 -0.043 -9.880 1.00 0.00 C ATOM 104 CD1 ILE A 7 -0.775 2.182 -9.560 1.00 0.00 C ATOM 0 H ILE A 7 -4.359 2.965 -7.561 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.894 1.757 -10.167 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.909 0.966 -7.986 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.626 2.800 -10.423 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.428 3.254 -8.742 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.765 -0.278 -9.798 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.414 -0.889 -9.523 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.074 0.157 -10.923 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.265 3.095 -9.866 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.394 1.861 -8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.594 1.400 -10.298 1.00 0.00 H new ATOM 116 N SER A 8 -6.273 -0.236 -9.512 1.00 0.00 N ATOM 117 CA SER A 8 -7.153 -1.375 -9.187 1.00 0.00 C ATOM 118 C SER A 8 -6.357 -2.688 -9.164 1.00 0.00 C ATOM 119 O SER A 8 -5.326 -2.809 -9.833 1.00 0.00 O ATOM 120 CB SER A 8 -8.294 -1.453 -10.217 1.00 0.00 C ATOM 121 OG SER A 8 -9.075 -0.272 -10.192 1.00 0.00 O ATOM 0 H SER A 8 -6.250 -0.011 -10.507 1.00 0.00 H new ATOM 0 HA SER A 8 -7.577 -1.223 -8.194 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.880 -1.600 -11.215 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.925 -2.316 -10.003 1.00 0.00 H new ATOM 0 HG SER A 8 -9.794 -0.341 -10.855 1.00 0.00 H new ATOM 127 N LEU A 9 -6.856 -3.671 -8.399 1.00 0.00 N ATOM 128 CA LEU A 9 -6.173 -4.963 -8.188 1.00 0.00 C ATOM 129 C LEU A 9 -6.100 -5.810 -9.490 1.00 0.00 C ATOM 130 O LEU A 9 -5.194 -6.641 -9.660 1.00 0.00 O ATOM 131 CB LEU A 9 -6.879 -5.731 -7.036 1.00 0.00 C ATOM 132 CG LEU A 9 -6.279 -7.118 -6.648 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.753 -7.038 -6.429 1.00 0.00 C ATOM 134 CD2 LEU A 9 -6.992 -7.704 -5.406 1.00 0.00 C ATOM 0 H LEU A 9 -7.746 -3.595 -7.907 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.139 -4.768 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.871 -5.097 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.923 -5.877 -7.314 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.451 -7.794 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.372 -8.023 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.271 -6.700 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.537 -6.334 -5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.554 -8.671 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.872 -7.024 -4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.053 -7.831 -5.622 1.00 0.00 H new ATOM 146 N GLU A 10 -7.042 -5.573 -10.405 1.00 0.00 N ATOM 147 CA GLU A 10 -7.081 -6.260 -11.715 1.00 0.00 C ATOM 148 C GLU A 10 -5.949 -5.772 -12.655 1.00 0.00 C ATOM 149 O GLU A 10 -5.421 -6.551 -13.449 1.00 0.00 O ATOM 150 CB GLU A 10 -8.467 -6.054 -12.376 1.00 0.00 C ATOM 151 CG GLU A 10 -8.851 -4.575 -12.613 1.00 0.00 C ATOM 152 CD GLU A 10 -10.275 -4.399 -13.142 1.00 0.00 C ATOM 153 OE1 GLU A 10 -10.491 -4.590 -14.358 1.00 0.00 O ATOM 154 OE2 GLU A 10 -11.186 -4.095 -12.345 1.00 0.00 O ATOM 0 H GLU A 10 -7.800 -4.904 -10.268 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.920 -7.324 -11.543 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.481 -6.577 -13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.228 -6.517 -11.748 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.747 -4.025 -11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.150 -4.134 -13.321 1.00 0.00 H new ATOM 161 N GLU A 11 -5.578 -4.482 -12.541 1.00 0.00 N ATOM 162 CA GLU A 11 -4.615 -3.830 -13.463 1.00 0.00 C ATOM 163 C GLU A 11 -3.222 -3.672 -12.828 1.00 0.00 C ATOM 164 O GLU A 11 -2.264 -3.318 -13.529 1.00 0.00 O ATOM 165 CB GLU A 11 -5.159 -2.438 -13.891 1.00 0.00 C ATOM 166 CG GLU A 11 -5.349 -1.445 -12.725 1.00 0.00 C ATOM 167 CD GLU A 11 -5.758 -0.031 -13.159 1.00 0.00 C ATOM 168 OE1 GLU A 11 -5.068 0.560 -14.022 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.735 0.517 -12.603 1.00 0.00 O ATOM 0 H GLU A 11 -5.932 -3.862 -11.813 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.507 -4.473 -14.336 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.474 -2.001 -14.617 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.115 -2.574 -14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.108 -1.838 -12.048 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.419 -1.384 -12.160 1.00 0.00 H new ATOM 176 N VAL A 12 -3.114 -3.936 -11.509 1.00 0.00 N ATOM 177 CA VAL A 12 -1.893 -3.644 -10.727 1.00 0.00 C ATOM 178 C VAL A 12 -0.711 -4.560 -11.105 1.00 0.00 C ATOM 179 O VAL A 12 -0.905 -5.704 -11.526 1.00 0.00 O ATOM 180 CB VAL A 12 -2.167 -3.749 -9.180 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.420 -5.201 -8.720 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.041 -3.094 -8.355 1.00 0.00 C ATOM 0 H VAL A 12 -3.864 -4.354 -10.959 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.615 -2.620 -10.976 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.085 -3.192 -8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.603 -5.216 -7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.289 -5.602 -9.242 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.547 -5.812 -8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.267 -3.187 -7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.096 -3.592 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.963 -2.039 -8.618 1.00 0.00 H new ATOM 192 N ASN A 13 0.510 -4.017 -10.977 1.00 0.00 N ATOM 193 CA ASN A 13 1.761 -4.781 -11.090 1.00 0.00 C ATOM 194 C ASN A 13 2.616 -4.474 -9.851 1.00 0.00 C ATOM 195 O ASN A 13 3.396 -3.517 -9.858 1.00 0.00 O ATOM 196 CB ASN A 13 2.522 -4.419 -12.398 1.00 0.00 C ATOM 197 CG ASN A 13 1.712 -4.693 -13.668 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.732 -5.800 -14.201 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.998 -3.688 -14.162 1.00 0.00 N ATOM 0 H ASN A 13 0.657 -3.025 -10.790 1.00 0.00 H new ATOM 0 HA ASN A 13 1.543 -5.848 -11.138 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.795 -3.364 -12.371 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.451 -4.988 -12.439 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.445 -3.823 -15.008 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.003 -2.781 -13.695 1.00 0.00 H new ATOM 206 N PHE A 14 2.433 -5.273 -8.773 1.00 0.00 N ATOM 207 CA PHE A 14 3.092 -5.029 -7.465 1.00 0.00 C ATOM 208 C PHE A 14 4.632 -5.009 -7.584 1.00 0.00 C ATOM 209 O PHE A 14 5.284 -4.203 -6.934 1.00 0.00 O ATOM 210 CB PHE A 14 2.649 -6.075 -6.397 1.00 0.00 C ATOM 211 CG PHE A 14 1.200 -5.922 -5.911 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.790 -4.772 -5.244 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.264 -6.931 -6.088 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.508 -4.639 -4.781 1.00 0.00 C ATOM 215 CE2 PHE A 14 -1.034 -6.801 -5.627 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.418 -5.654 -4.974 1.00 0.00 C ATOM 0 H PHE A 14 1.831 -6.097 -8.783 1.00 0.00 H new ATOM 0 HA PHE A 14 2.769 -4.041 -7.137 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.775 -7.075 -6.813 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.316 -6.001 -5.538 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.496 -3.970 -5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.555 -7.838 -6.597 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.807 -3.737 -4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.745 -7.600 -5.780 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.431 -5.549 -4.613 1.00 0.00 H new ATOM 226 N ASN A 15 5.185 -5.873 -8.447 1.00 0.00 N ATOM 227 CA ASN A 15 6.653 -5.980 -8.647 1.00 0.00 C ATOM 228 C ASN A 15 7.234 -4.721 -9.331 1.00 0.00 C ATOM 229 O ASN A 15 8.429 -4.432 -9.206 1.00 0.00 O ATOM 230 CB ASN A 15 6.995 -7.233 -9.493 1.00 0.00 C ATOM 231 CG ASN A 15 6.454 -8.536 -8.910 1.00 0.00 C ATOM 232 OD1 ASN A 15 6.271 -8.665 -7.707 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.197 -9.509 -9.766 1.00 0.00 N ATOM 0 H ASN A 15 4.642 -6.515 -9.024 1.00 0.00 H new ATOM 0 HA ASN A 15 7.106 -6.070 -7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.595 -7.102 -10.498 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.078 -7.311 -9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.834 -10.401 -9.430 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.361 -9.368 -10.763 1.00 0.00 H new ATOM 240 N ASP A 16 6.371 -3.991 -10.061 1.00 0.00 N ATOM 241 CA ASP A 16 6.764 -2.774 -10.801 1.00 0.00 C ATOM 242 C ASP A 16 6.927 -1.581 -9.836 1.00 0.00 C ATOM 243 O ASP A 16 7.669 -0.645 -10.123 1.00 0.00 O ATOM 244 CB ASP A 16 5.709 -2.442 -11.903 1.00 0.00 C ATOM 245 CG ASP A 16 6.206 -1.409 -12.939 1.00 0.00 C ATOM 246 OD1 ASP A 16 7.049 -1.769 -13.789 1.00 0.00 O ATOM 247 OD2 ASP A 16 5.763 -0.248 -12.923 1.00 0.00 O ATOM 0 H ASP A 16 5.383 -4.226 -10.156 1.00 0.00 H new ATOM 0 HA ASP A 16 7.724 -2.960 -11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.434 -3.361 -12.421 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.805 -2.062 -11.427 1.00 0.00 H new ATOM 252 N PHE A 17 6.226 -1.623 -8.681 1.00 0.00 N ATOM 253 CA PHE A 17 6.237 -0.516 -7.687 1.00 0.00 C ATOM 254 C PHE A 17 6.878 -1.014 -6.371 1.00 0.00 C ATOM 255 O PHE A 17 6.929 -2.222 -6.122 1.00 0.00 O ATOM 256 CB PHE A 17 4.780 0.003 -7.403 1.00 0.00 C ATOM 257 CG PHE A 17 3.812 -0.058 -8.600 1.00 0.00 C ATOM 258 CD1 PHE A 17 4.112 0.575 -9.798 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.615 -0.767 -8.524 1.00 0.00 C ATOM 260 CE1 PHE A 17 3.257 0.507 -10.879 1.00 0.00 C ATOM 261 CE2 PHE A 17 1.758 -0.839 -9.606 1.00 0.00 C ATOM 262 CZ PHE A 17 2.082 -0.201 -10.782 1.00 0.00 C ATOM 0 H PHE A 17 5.642 -2.414 -8.410 1.00 0.00 H new ATOM 0 HA PHE A 17 6.820 0.310 -8.095 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.357 -0.581 -6.585 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.841 1.035 -7.059 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.033 1.132 -9.886 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.352 -1.269 -7.604 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.510 1.010 -11.801 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.835 -1.395 -9.529 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.413 -0.256 -11.628 1.00 0.00 H new ATOM 272 N ILE A 18 7.386 -0.088 -5.544 1.00 0.00 N ATOM 273 CA ILE A 18 7.766 -0.385 -4.150 1.00 0.00 C ATOM 274 C ILE A 18 6.486 -0.346 -3.312 1.00 0.00 C ATOM 275 O ILE A 18 5.956 0.732 -3.032 1.00 0.00 O ATOM 276 CB ILE A 18 8.812 0.648 -3.586 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.094 0.687 -4.478 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.172 0.327 -2.104 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.114 1.736 -4.073 1.00 0.00 C ATOM 0 H ILE A 18 7.545 0.882 -5.818 1.00 0.00 H new ATOM 0 HA ILE A 18 8.243 -1.364 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 18 8.354 1.637 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.570 -0.293 -4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.797 0.868 -5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.896 1.056 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.271 0.374 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.601 -0.673 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.970 1.691 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.660 2.725 -4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.445 1.546 -3.052 1.00 0.00 H new ATOM 291 N VAL A 19 5.974 -1.521 -2.936 1.00 0.00 N ATOM 292 CA VAL A 19 4.665 -1.626 -2.288 1.00 0.00 C ATOM 293 C VAL A 19 4.828 -1.330 -0.787 1.00 0.00 C ATOM 294 O VAL A 19 5.914 -1.517 -0.226 1.00 0.00 O ATOM 295 CB VAL A 19 4.023 -3.047 -2.525 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.542 -3.089 -2.110 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.178 -3.492 -3.994 1.00 0.00 C ATOM 0 H VAL A 19 6.448 -2.414 -3.070 1.00 0.00 H new ATOM 0 HA VAL A 19 3.985 -0.896 -2.727 1.00 0.00 H new ATOM 0 HB VAL A 19 4.567 -3.746 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.142 -4.087 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.454 -2.849 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.980 -2.361 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.726 -4.475 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.681 -2.774 -4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.237 -3.542 -4.249 1.00 0.00 H new ATOM 307 N VAL A 20 3.764 -0.824 -0.160 1.00 0.00 N ATOM 308 CA VAL A 20 3.710 -0.550 1.282 1.00 0.00 C ATOM 309 C VAL A 20 2.401 -1.113 1.840 1.00 0.00 C ATOM 310 O VAL A 20 1.321 -0.807 1.327 1.00 0.00 O ATOM 311 CB VAL A 20 3.815 0.997 1.595 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.486 1.321 3.074 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.212 1.562 1.222 1.00 0.00 C ATOM 0 H VAL A 20 2.899 -0.588 -0.647 1.00 0.00 H new ATOM 0 HA VAL A 20 4.564 -1.031 1.758 1.00 0.00 H new ATOM 0 HB VAL A 20 3.066 1.485 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.572 2.395 3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.469 0.999 3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.185 0.797 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.247 2.627 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.980 1.042 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.392 1.414 0.157 1.00 0.00 H new ATOM 323 N ASP A 21 2.509 -1.956 2.871 1.00 0.00 N ATOM 324 CA ASP A 21 1.353 -2.476 3.606 1.00 0.00 C ATOM 325 C ASP A 21 0.869 -1.372 4.551 1.00 0.00 C ATOM 326 O ASP A 21 1.498 -1.172 5.581 1.00 0.00 O ATOM 327 CB ASP A 21 1.795 -3.756 4.398 1.00 0.00 C ATOM 328 CG ASP A 21 0.627 -4.563 5.004 1.00 0.00 C ATOM 329 OD1 ASP A 21 0.164 -4.247 6.113 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.168 -5.532 4.352 1.00 0.00 O ATOM 0 H ASP A 21 3.404 -2.298 3.220 1.00 0.00 H new ATOM 0 HA ASP A 21 0.539 -2.756 2.937 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.361 -4.405 3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.470 -3.458 5.200 1.00 0.00 H new ATOM 335 N VAL A 22 -0.224 -0.642 4.190 1.00 0.00 N ATOM 336 CA VAL A 22 -0.760 0.457 5.036 1.00 0.00 C ATOM 337 C VAL A 22 -1.866 -0.086 5.944 1.00 0.00 C ATOM 338 O VAL A 22 -3.071 0.073 5.688 1.00 0.00 O ATOM 339 CB VAL A 22 -1.259 1.711 4.210 1.00 0.00 C ATOM 340 CG1 VAL A 22 -0.061 2.508 3.647 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.227 1.300 3.071 1.00 0.00 C ATOM 0 H VAL A 22 -0.745 -0.795 3.327 1.00 0.00 H new ATOM 0 HA VAL A 22 0.067 0.825 5.643 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.812 2.354 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.427 3.366 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.564 2.855 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.527 1.866 2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.547 2.189 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.717 0.621 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.098 0.801 3.496 1.00 0.00 H new ATOM 351 N ARG A 23 -1.437 -0.739 7.029 1.00 0.00 N ATOM 352 CA ARG A 23 -2.346 -1.409 7.967 1.00 0.00 C ATOM 353 C ARG A 23 -1.743 -1.353 9.382 1.00 0.00 C ATOM 354 O ARG A 23 -1.884 -0.328 10.046 1.00 0.00 O ATOM 355 CB ARG A 23 -2.671 -2.879 7.520 1.00 0.00 C ATOM 356 CG ARG A 23 -3.446 -3.029 6.183 1.00 0.00 C ATOM 357 CD ARG A 23 -3.870 -4.475 5.889 1.00 0.00 C ATOM 358 NE ARG A 23 -2.727 -5.381 5.706 1.00 0.00 N ATOM 359 CZ ARG A 23 -2.736 -6.698 5.951 1.00 0.00 C ATOM 360 NH1 ARG A 23 -3.770 -7.290 6.553 1.00 0.00 N ATOM 361 NH2 ARG A 23 -1.673 -7.406 5.654 1.00 0.00 N ATOM 0 H ARG A 23 -0.452 -0.818 7.282 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.301 -0.883 7.972 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.733 -3.428 7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.251 -3.357 8.309 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.333 -2.396 6.211 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.822 -2.667 5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.489 -4.840 6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.488 -4.492 4.991 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.856 -4.974 5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.579 -6.738 6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.751 -8.295 6.728 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.857 -6.953 5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.662 -8.410 5.834 1.00 0.00 H new ATOM 375 N GLU A 24 -1.011 -2.406 9.804 1.00 0.00 N ATOM 376 CA GLU A 24 -0.509 -2.540 11.200 1.00 0.00 C ATOM 377 C GLU A 24 0.465 -3.741 11.258 1.00 0.00 C ATOM 378 O GLU A 24 0.468 -4.567 10.339 1.00 0.00 O ATOM 379 CB GLU A 24 -1.724 -2.727 12.201 1.00 0.00 C ATOM 380 CG GLU A 24 -1.583 -2.058 13.597 1.00 0.00 C ATOM 381 CD GLU A 24 -0.513 -2.695 14.499 1.00 0.00 C ATOM 382 OE1 GLU A 24 -0.715 -3.844 14.941 1.00 0.00 O ATOM 383 OE2 GLU A 24 0.555 -2.076 14.725 1.00 0.00 O ATOM 0 H GLU A 24 -0.750 -3.184 9.198 1.00 0.00 H new ATOM 0 HA GLU A 24 0.023 -1.638 11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.622 -2.335 11.724 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.882 -3.795 12.349 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.344 -1.003 13.459 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.545 -2.103 14.107 1.00 0.00 H new ATOM 390 N LEU A 25 1.297 -3.807 12.322 1.00 0.00 N ATOM 391 CA LEU A 25 2.189 -4.948 12.606 1.00 0.00 C ATOM 392 C LEU A 25 1.427 -6.286 12.579 1.00 0.00 C ATOM 393 O LEU A 25 1.794 -7.177 11.832 1.00 0.00 O ATOM 394 CB LEU A 25 2.871 -4.764 13.989 1.00 0.00 C ATOM 395 CG LEU A 25 3.786 -5.935 14.481 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.990 -6.156 13.538 1.00 0.00 C ATOM 397 CD2 LEU A 25 4.254 -5.699 15.938 1.00 0.00 C ATOM 0 H LEU A 25 1.367 -3.060 13.013 1.00 0.00 H new ATOM 0 HA LEU A 25 2.948 -4.974 11.824 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.471 -3.854 13.955 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.092 -4.604 14.734 1.00 0.00 H new ATOM 0 HG LEU A 25 3.188 -6.846 14.461 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.601 -6.977 13.914 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.629 -6.400 12.539 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.590 -5.247 13.495 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.888 -6.527 16.255 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.818 -4.768 15.993 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.385 -5.636 16.593 1.00 0.00 H new ATOM 409 N ASP A 26 0.349 -6.378 13.378 1.00 0.00 N ATOM 410 CA ASP A 26 -0.484 -7.601 13.501 1.00 0.00 C ATOM 411 C ASP A 26 -1.038 -8.052 12.128 1.00 0.00 C ATOM 412 O ASP A 26 -1.045 -9.248 11.812 1.00 0.00 O ATOM 413 CB ASP A 26 -1.628 -7.335 14.513 1.00 0.00 C ATOM 414 CG ASP A 26 -2.603 -8.514 14.691 1.00 0.00 C ATOM 415 OD1 ASP A 26 -2.213 -9.541 15.287 1.00 0.00 O ATOM 416 OD2 ASP A 26 -3.758 -8.419 14.238 1.00 0.00 O ATOM 0 H ASP A 26 0.025 -5.607 13.961 1.00 0.00 H new ATOM 0 HA ASP A 26 0.137 -8.418 13.869 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.191 -7.090 15.481 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.190 -6.460 14.187 1.00 0.00 H new ATOM 421 N GLU A 27 -1.447 -7.062 11.320 1.00 0.00 N ATOM 422 CA GLU A 27 -1.945 -7.264 9.943 1.00 0.00 C ATOM 423 C GLU A 27 -0.833 -7.820 9.008 1.00 0.00 C ATOM 424 O GLU A 27 -1.093 -8.661 8.148 1.00 0.00 O ATOM 425 CB GLU A 27 -2.463 -5.913 9.401 1.00 0.00 C ATOM 426 CG GLU A 27 -3.691 -5.335 10.131 1.00 0.00 C ATOM 427 CD GLU A 27 -4.953 -6.175 9.908 1.00 0.00 C ATOM 428 OE1 GLU A 27 -5.480 -6.180 8.769 1.00 0.00 O ATOM 429 OE2 GLU A 27 -5.421 -6.829 10.853 1.00 0.00 O ATOM 0 H GLU A 27 -1.443 -6.083 11.605 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.750 -7.998 9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.654 -5.185 9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.712 -6.035 8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.481 -5.277 11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.870 -4.317 9.785 1.00 0.00 H new ATOM 436 N TYR A 28 0.388 -7.317 9.199 1.00 0.00 N ATOM 437 CA TYR A 28 1.597 -7.762 8.473 1.00 0.00 C ATOM 438 C TYR A 28 1.939 -9.232 8.816 1.00 0.00 C ATOM 439 O TYR A 28 2.333 -10.015 7.933 1.00 0.00 O ATOM 440 CB TYR A 28 2.759 -6.778 8.842 1.00 0.00 C ATOM 441 CG TYR A 28 4.199 -7.260 8.582 1.00 0.00 C ATOM 442 CD1 TYR A 28 4.900 -7.988 9.555 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.856 -6.983 7.385 1.00 0.00 C ATOM 444 CE1 TYR A 28 6.179 -8.421 9.334 1.00 0.00 C ATOM 445 CE2 TYR A 28 6.147 -7.415 7.166 1.00 0.00 C ATOM 446 CZ TYR A 28 6.800 -8.133 8.137 1.00 0.00 C ATOM 447 OH TYR A 28 8.077 -8.588 7.907 1.00 0.00 O ATOM 0 H TYR A 28 0.576 -6.575 9.873 1.00 0.00 H new ATOM 0 HA TYR A 28 1.432 -7.738 7.396 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.607 -5.852 8.287 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.671 -6.533 9.900 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.421 -8.211 10.497 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.346 -6.421 6.617 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.700 -8.986 10.093 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.643 -7.189 6.234 1.00 0.00 H new ATOM 0 HH TYR A 28 8.371 -8.301 7.017 1.00 0.00 H new ATOM 457 N GLU A 29 1.763 -9.577 10.108 1.00 0.00 N ATOM 458 CA GLU A 29 2.158 -10.880 10.677 1.00 0.00 C ATOM 459 C GLU A 29 1.336 -12.042 10.098 1.00 0.00 C ATOM 460 O GLU A 29 1.909 -13.072 9.697 1.00 0.00 O ATOM 461 CB GLU A 29 2.034 -10.862 12.228 1.00 0.00 C ATOM 462 CG GLU A 29 2.951 -9.845 12.933 1.00 0.00 C ATOM 463 CD GLU A 29 2.881 -9.925 14.461 1.00 0.00 C ATOM 464 OE1 GLU A 29 3.402 -10.911 15.031 1.00 0.00 O ATOM 465 OE2 GLU A 29 2.285 -9.032 15.098 1.00 0.00 O ATOM 0 H GLU A 29 1.338 -8.951 10.792 1.00 0.00 H new ATOM 0 HA GLU A 29 3.200 -11.043 10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.000 -10.644 12.494 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.258 -11.858 12.609 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.980 -10.012 12.614 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.678 -8.839 12.616 1.00 0.00 H new ATOM 472 N GLU A 30 0.004 -11.861 10.081 1.00 0.00 N ATOM 473 CA GLU A 30 -0.943 -12.865 9.552 1.00 0.00 C ATOM 474 C GLU A 30 -0.676 -13.154 8.054 1.00 0.00 C ATOM 475 O GLU A 30 -0.533 -14.322 7.657 1.00 0.00 O ATOM 476 CB GLU A 30 -2.424 -12.415 9.795 1.00 0.00 C ATOM 477 CG GLU A 30 -2.695 -10.919 9.545 1.00 0.00 C ATOM 478 CD GLU A 30 -4.176 -10.513 9.468 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.005 -11.062 10.217 1.00 0.00 O ATOM 480 OE2 GLU A 30 -4.517 -9.646 8.637 1.00 0.00 O ATOM 0 H GLU A 30 -0.448 -11.017 10.432 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.785 -13.797 10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.077 -13.001 9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.697 -12.652 10.823 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.221 -10.345 10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.210 -10.632 8.612 1.00 0.00 H new ATOM 487 N LEU A 31 -0.576 -12.081 7.246 1.00 0.00 N ATOM 488 CA LEU A 31 -0.288 -12.170 5.795 1.00 0.00 C ATOM 489 C LEU A 31 0.025 -10.782 5.229 1.00 0.00 C ATOM 490 O LEU A 31 -0.453 -9.788 5.755 1.00 0.00 O ATOM 491 CB LEU A 31 -1.443 -12.884 4.987 1.00 0.00 C ATOM 492 CG LEU A 31 -2.871 -12.213 4.818 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.396 -11.559 6.101 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.945 -11.235 3.631 1.00 0.00 C ATOM 0 H LEU A 31 -0.692 -11.124 7.579 1.00 0.00 H new ATOM 0 HA LEU A 31 0.594 -12.799 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.060 -13.071 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.602 -13.856 5.454 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.536 -13.047 4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.376 -11.121 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.481 -12.312 6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.705 -10.779 6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.947 -10.811 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.220 -10.434 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.720 -11.767 2.707 1.00 0.00 H new ATOM 506 N HIS A 32 0.833 -10.733 4.159 1.00 0.00 N ATOM 507 CA HIS A 32 1.186 -9.475 3.454 1.00 0.00 C ATOM 508 C HIS A 32 1.952 -9.814 2.163 1.00 0.00 C ATOM 509 O HIS A 32 2.286 -10.974 1.922 1.00 0.00 O ATOM 510 CB HIS A 32 2.042 -8.531 4.360 1.00 0.00 C ATOM 511 CG HIS A 32 3.443 -9.020 4.610 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.728 -10.182 5.286 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.639 -8.528 4.209 1.00 0.00 C ATOM 514 CE1 HIS A 32 5.029 -10.381 5.276 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.600 -9.399 4.629 1.00 0.00 N ATOM 0 H HIS A 32 1.265 -11.562 3.751 1.00 0.00 H new ATOM 0 HA HIS A 32 0.265 -8.946 3.208 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.090 -7.546 3.896 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.536 -8.408 5.317 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.802 -7.614 3.658 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.541 -11.218 5.728 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.602 -9.300 4.465 1.00 0.00 H new ATOM 524 N LEU A 33 2.230 -8.792 1.340 1.00 0.00 N ATOM 525 CA LEU A 33 3.047 -8.942 0.116 1.00 0.00 C ATOM 526 C LEU A 33 4.549 -8.907 0.459 1.00 0.00 C ATOM 527 O LEU A 33 4.952 -8.122 1.311 1.00 0.00 O ATOM 528 CB LEU A 33 2.708 -7.810 -0.874 1.00 0.00 C ATOM 529 CG LEU A 33 1.298 -7.895 -1.509 1.00 0.00 C ATOM 530 CD1 LEU A 33 0.896 -6.545 -2.125 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.212 -9.041 -2.558 1.00 0.00 C ATOM 0 H LEU A 33 1.899 -7.840 1.499 1.00 0.00 H new ATOM 0 HA LEU A 33 2.820 -9.905 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.800 -6.855 -0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.450 -7.812 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 33 0.589 -8.130 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.098 -6.627 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.887 -5.779 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.614 -6.270 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.209 -9.071 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.937 -8.863 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.430 -9.994 -2.075 1.00 0.00 H new ATOM 543 N PRO A 34 5.403 -9.714 -0.238 1.00 0.00 N ATOM 544 CA PRO A 34 6.873 -9.739 0.017 1.00 0.00 C ATOM 545 C PRO A 34 7.581 -8.448 -0.462 1.00 0.00 C ATOM 546 O PRO A 34 8.739 -8.206 -0.128 1.00 0.00 O ATOM 547 CB PRO A 34 7.339 -10.984 -0.784 1.00 0.00 C ATOM 548 CG PRO A 34 6.346 -11.103 -1.900 1.00 0.00 C ATOM 549 CD PRO A 34 5.017 -10.651 -1.333 1.00 0.00 C ATOM 0 HA PRO A 34 7.116 -9.791 1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.352 -10.855 -1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.345 -11.878 -0.161 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.638 -10.484 -2.748 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.286 -12.130 -2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.407 -10.156 -2.088 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.436 -11.492 -0.955 1.00 0.00 H new ATOM 557 N ASN A 35 6.858 -7.639 -1.258 1.00 0.00 N ATOM 558 CA ASN A 35 7.335 -6.345 -1.788 1.00 0.00 C ATOM 559 C ASN A 35 6.760 -5.174 -0.958 1.00 0.00 C ATOM 560 O ASN A 35 7.022 -4.001 -1.266 1.00 0.00 O ATOM 561 CB ASN A 35 6.888 -6.209 -3.272 1.00 0.00 C ATOM 562 CG ASN A 35 7.274 -7.413 -4.145 1.00 0.00 C ATOM 563 OD1 ASN A 35 8.324 -8.032 -3.964 1.00 0.00 O ATOM 564 ND2 ASN A 35 6.402 -7.779 -5.065 1.00 0.00 N ATOM 0 H ASN A 35 5.910 -7.868 -1.557 1.00 0.00 H new ATOM 0 HA ASN A 35 8.423 -6.311 -1.723 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.806 -6.078 -3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.331 -5.308 -3.695 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.589 -8.594 -5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.541 -7.247 -5.192 1.00 0.00 H new ATOM 571 N ALA A 36 5.955 -5.511 0.080 1.00 0.00 N ATOM 572 CA ALA A 36 5.256 -4.525 0.933 1.00 0.00 C ATOM 573 C ALA A 36 6.082 -4.144 2.175 1.00 0.00 C ATOM 574 O ALA A 36 6.470 -5.013 2.964 1.00 0.00 O ATOM 575 CB ALA A 36 3.873 -5.054 1.352 1.00 0.00 C ATOM 0 H ALA A 36 5.774 -6.478 0.348 1.00 0.00 H new ATOM 0 HA ALA A 36 5.125 -3.621 0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.375 -4.314 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.270 -5.241 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.993 -5.982 1.911 1.00 0.00 H new ATOM 581 N THR A 37 6.334 -2.833 2.331 1.00 0.00 N ATOM 582 CA THR A 37 6.977 -2.250 3.516 1.00 0.00 C ATOM 583 C THR A 37 5.919 -2.026 4.613 1.00 0.00 C ATOM 584 O THR A 37 4.872 -1.437 4.344 1.00 0.00 O ATOM 585 CB THR A 37 7.652 -0.888 3.147 1.00 0.00 C ATOM 586 OG1 THR A 37 8.609 -1.100 2.095 1.00 0.00 O ATOM 587 CG2 THR A 37 8.339 -0.219 4.360 1.00 0.00 C ATOM 0 H THR A 37 6.092 -2.139 1.624 1.00 0.00 H new ATOM 0 HA THR A 37 7.743 -2.934 3.881 1.00 0.00 H new ATOM 0 HB THR A 37 6.867 -0.210 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.853 -0.239 1.696 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.791 0.723 4.048 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.599 -0.027 5.137 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.112 -0.881 4.751 1.00 0.00 H new ATOM 595 N LEU A 38 6.198 -2.500 5.835 1.00 0.00 N ATOM 596 CA LEU A 38 5.282 -2.354 6.975 1.00 0.00 C ATOM 597 C LEU A 38 5.239 -0.888 7.458 1.00 0.00 C ATOM 598 O LEU A 38 6.215 -0.378 8.025 1.00 0.00 O ATOM 599 CB LEU A 38 5.704 -3.300 8.131 1.00 0.00 C ATOM 600 CG LEU A 38 4.933 -3.126 9.485 1.00 0.00 C ATOM 601 CD1 LEU A 38 3.398 -3.210 9.289 1.00 0.00 C ATOM 602 CD2 LEU A 38 5.424 -4.156 10.525 1.00 0.00 C ATOM 0 H LEU A 38 7.062 -2.994 6.061 1.00 0.00 H new ATOM 0 HA LEU A 38 4.280 -2.632 6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.578 -4.329 7.795 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.767 -3.155 8.321 1.00 0.00 H new ATOM 0 HG LEU A 38 5.150 -2.128 9.865 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.901 -3.085 10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.075 -2.423 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.137 -4.182 8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.877 -4.020 11.458 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.252 -5.164 10.148 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.490 -4.012 10.704 1.00 0.00 H new ATOM 614 N ILE A 39 4.106 -0.218 7.170 1.00 0.00 N ATOM 615 CA ILE A 39 3.782 1.126 7.686 1.00 0.00 C ATOM 616 C ILE A 39 2.293 1.155 8.069 1.00 0.00 C ATOM 617 O ILE A 39 1.440 0.690 7.323 1.00 0.00 O ATOM 618 CB ILE A 39 4.069 2.264 6.625 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.581 2.299 6.219 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.606 3.654 7.142 1.00 0.00 C ATOM 621 CD1 ILE A 39 5.953 3.326 5.155 1.00 0.00 C ATOM 0 H ILE A 39 3.380 -0.601 6.564 1.00 0.00 H new ATOM 0 HA ILE A 39 4.418 1.319 8.550 1.00 0.00 H new ATOM 0 HB ILE A 39 3.487 2.027 5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.174 2.496 7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.865 1.310 5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.818 4.412 6.388 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.534 3.630 7.340 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.140 3.897 8.061 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.022 3.266 4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.395 3.122 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.709 4.326 5.513 1.00 0.00 H new ATOM 633 N SER A 40 1.977 1.727 9.218 1.00 0.00 N ATOM 634 CA SER A 40 0.585 1.878 9.654 1.00 0.00 C ATOM 635 C SER A 40 -0.018 3.148 9.030 1.00 0.00 C ATOM 636 O SER A 40 0.628 4.200 9.009 1.00 0.00 O ATOM 637 CB SER A 40 0.515 1.912 11.185 1.00 0.00 C ATOM 638 OG SER A 40 1.020 0.707 11.739 1.00 0.00 O ATOM 0 H SER A 40 2.664 2.099 9.874 1.00 0.00 H new ATOM 0 HA SER A 40 -0.001 1.024 9.315 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.089 2.759 11.561 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.517 2.060 11.503 1.00 0.00 H new ATOM 0 HG SER A 40 0.968 0.750 12.717 1.00 0.00 H new ATOM 644 N VAL A 41 -1.243 3.012 8.489 1.00 0.00 N ATOM 645 CA VAL A 41 -2.023 4.117 7.876 1.00 0.00 C ATOM 646 C VAL A 41 -2.180 5.346 8.821 1.00 0.00 C ATOM 647 O VAL A 41 -2.227 6.493 8.361 1.00 0.00 O ATOM 648 CB VAL A 41 -3.437 3.573 7.424 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.183 2.913 8.613 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.302 4.672 6.743 1.00 0.00 C ATOM 0 H VAL A 41 -1.732 2.117 8.462 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.467 4.471 7.008 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.262 2.806 6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.153 2.547 8.276 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.593 2.080 8.995 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.328 3.648 9.405 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.263 4.249 6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.464 5.493 7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.786 5.045 5.859 1.00 0.00 H new ATOM 660 N ASN A 42 -2.219 5.089 10.142 1.00 0.00 N ATOM 661 CA ASN A 42 -2.390 6.132 11.174 1.00 0.00 C ATOM 662 C ASN A 42 -1.090 6.922 11.425 1.00 0.00 C ATOM 663 O ASN A 42 -1.118 7.992 12.036 1.00 0.00 O ATOM 664 CB ASN A 42 -2.871 5.482 12.492 1.00 0.00 C ATOM 665 CG ASN A 42 -1.933 4.379 13.004 1.00 0.00 C ATOM 666 OD1 ASN A 42 -2.103 3.206 12.678 1.00 0.00 O ATOM 667 ND2 ASN A 42 -0.918 4.746 13.765 1.00 0.00 N ATOM 0 H ASN A 42 -2.132 4.148 10.526 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.136 6.839 10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.964 6.253 13.256 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.865 5.062 12.340 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.251 4.049 14.097 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.801 5.726 14.021 1.00 0.00 H new ATOM 674 N ASP A 43 0.049 6.358 10.999 1.00 0.00 N ATOM 675 CA ASP A 43 1.369 6.997 11.136 1.00 0.00 C ATOM 676 C ASP A 43 1.717 7.759 9.854 1.00 0.00 C ATOM 677 O ASP A 43 2.444 7.260 8.981 1.00 0.00 O ATOM 678 CB ASP A 43 2.469 5.961 11.501 1.00 0.00 C ATOM 679 CG ASP A 43 2.297 5.408 12.921 1.00 0.00 C ATOM 680 OD1 ASP A 43 2.494 6.178 13.880 1.00 0.00 O ATOM 681 OD2 ASP A 43 1.977 4.212 13.095 1.00 0.00 O ATOM 0 H ASP A 43 0.083 5.444 10.548 1.00 0.00 H new ATOM 0 HA ASP A 43 1.323 7.710 11.959 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.442 5.138 10.787 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.450 6.428 11.411 1.00 0.00 H new ATOM 686 N GLN A 44 1.147 8.972 9.743 1.00 0.00 N ATOM 687 CA GLN A 44 1.460 9.920 8.659 1.00 0.00 C ATOM 688 C GLN A 44 2.941 10.335 8.687 1.00 0.00 C ATOM 689 O GLN A 44 3.490 10.694 7.653 1.00 0.00 O ATOM 690 CB GLN A 44 0.529 11.180 8.726 1.00 0.00 C ATOM 691 CG GLN A 44 -0.871 10.979 8.095 1.00 0.00 C ATOM 692 CD GLN A 44 -1.793 9.999 8.823 1.00 0.00 C ATOM 693 OE1 GLN A 44 -1.736 9.861 10.039 1.00 0.00 O ATOM 694 NE2 GLN A 44 -2.656 9.321 8.082 1.00 0.00 N ATOM 0 H GLN A 44 0.454 9.323 10.404 1.00 0.00 H new ATOM 0 HA GLN A 44 1.274 9.410 7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.405 11.469 9.770 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.025 12.010 8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.369 11.947 8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.741 10.633 7.070 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.679 9.458 7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.298 8.661 8.522 1.00 0.00 H new ATOM 703 N GLU A 45 3.570 10.282 9.874 1.00 0.00 N ATOM 704 CA GLU A 45 4.996 10.617 10.033 1.00 0.00 C ATOM 705 C GLU A 45 5.917 9.530 9.428 1.00 0.00 C ATOM 706 O GLU A 45 6.987 9.847 8.915 1.00 0.00 O ATOM 707 CB GLU A 45 5.328 10.922 11.526 1.00 0.00 C ATOM 708 CG GLU A 45 4.937 9.843 12.568 1.00 0.00 C ATOM 709 CD GLU A 45 5.878 8.627 12.615 1.00 0.00 C ATOM 710 OE1 GLU A 45 7.098 8.812 12.820 1.00 0.00 O ATOM 711 OE2 GLU A 45 5.412 7.488 12.436 1.00 0.00 O ATOM 0 H GLU A 45 3.110 10.009 10.742 1.00 0.00 H new ATOM 0 HA GLU A 45 5.194 11.526 9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.401 11.097 11.606 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.832 11.853 11.800 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.910 10.303 13.556 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.927 9.496 12.351 1.00 0.00 H new ATOM 718 N LYS A 46 5.482 8.257 9.486 1.00 0.00 N ATOM 719 CA LYS A 46 6.238 7.118 8.918 1.00 0.00 C ATOM 720 C LYS A 46 6.060 7.068 7.395 1.00 0.00 C ATOM 721 O LYS A 46 7.018 6.797 6.657 1.00 0.00 O ATOM 722 CB LYS A 46 5.790 5.778 9.564 1.00 0.00 C ATOM 723 CG LYS A 46 6.594 4.500 9.163 1.00 0.00 C ATOM 724 CD LYS A 46 8.058 4.454 9.708 1.00 0.00 C ATOM 725 CE LYS A 46 9.097 5.155 8.807 1.00 0.00 C ATOM 726 NZ LYS A 46 10.417 5.286 9.479 1.00 0.00 N ATOM 0 H LYS A 46 4.602 7.987 9.925 1.00 0.00 H new ATOM 0 HA LYS A 46 7.295 7.263 9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.845 5.888 10.647 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.742 5.613 9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.058 3.622 9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.623 4.431 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.080 4.917 10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.352 3.412 9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.215 4.590 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.730 6.144 8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.997 5.984 8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.277 5.600 10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.901 4.366 9.476 1.00 0.00 H new ATOM 740 N LEU A 47 4.824 7.331 6.951 1.00 0.00 N ATOM 741 CA LEU A 47 4.479 7.488 5.530 1.00 0.00 C ATOM 742 C LEU A 47 5.312 8.614 4.886 1.00 0.00 C ATOM 743 O LEU A 47 5.923 8.425 3.829 1.00 0.00 O ATOM 744 CB LEU A 47 2.964 7.798 5.411 1.00 0.00 C ATOM 745 CG LEU A 47 2.003 6.592 5.657 1.00 0.00 C ATOM 746 CD1 LEU A 47 0.545 7.059 5.881 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.095 5.581 4.482 1.00 0.00 C ATOM 0 H LEU A 47 4.025 7.442 7.575 1.00 0.00 H new ATOM 0 HA LEU A 47 4.706 6.563 5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.717 8.586 6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.771 8.195 4.415 1.00 0.00 H new ATOM 0 HG LEU A 47 2.321 6.090 6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.093 6.191 6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.502 7.714 6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.197 7.601 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.420 4.746 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.813 6.076 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.117 5.210 4.400 1.00 0.00 H new ATOM 759 N ALA A 48 5.346 9.768 5.582 1.00 0.00 N ATOM 760 CA ALA A 48 6.082 10.961 5.148 1.00 0.00 C ATOM 761 C ALA A 48 7.592 10.700 5.135 1.00 0.00 C ATOM 762 O ALA A 48 8.266 11.106 4.204 1.00 0.00 O ATOM 763 CB ALA A 48 5.753 12.161 6.047 1.00 0.00 C ATOM 0 H ALA A 48 4.857 9.894 6.468 1.00 0.00 H new ATOM 0 HA ALA A 48 5.768 11.196 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.310 13.034 5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.684 12.370 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.031 11.932 7.076 1.00 0.00 H new ATOM 769 N ASP A 49 8.087 9.990 6.173 1.00 0.00 N ATOM 770 CA ASP A 49 9.523 9.648 6.325 1.00 0.00 C ATOM 771 C ASP A 49 10.006 8.754 5.174 1.00 0.00 C ATOM 772 O ASP A 49 11.084 8.988 4.628 1.00 0.00 O ATOM 773 CB ASP A 49 9.778 8.933 7.675 1.00 0.00 C ATOM 774 CG ASP A 49 11.242 8.474 7.875 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.092 9.303 8.242 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.549 7.285 7.638 1.00 0.00 O ATOM 0 H ASP A 49 7.503 9.637 6.931 1.00 0.00 H new ATOM 0 HA ASP A 49 10.084 10.582 6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.504 9.605 8.488 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.123 8.065 7.745 1.00 0.00 H new ATOM 781 N PHE A 50 9.183 7.748 4.814 1.00 0.00 N ATOM 782 CA PHE A 50 9.501 6.786 3.737 1.00 0.00 C ATOM 783 C PHE A 50 9.638 7.528 2.394 1.00 0.00 C ATOM 784 O PHE A 50 10.515 7.229 1.571 1.00 0.00 O ATOM 785 CB PHE A 50 8.384 5.711 3.659 1.00 0.00 C ATOM 786 CG PHE A 50 8.694 4.537 2.723 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.583 3.534 3.117 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.107 4.434 1.462 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.872 2.471 2.284 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.401 3.368 0.631 1.00 0.00 C ATOM 791 CZ PHE A 50 9.281 2.387 1.042 1.00 0.00 C ATOM 0 H PHE A 50 8.281 7.579 5.260 1.00 0.00 H new ATOM 0 HA PHE A 50 10.449 6.293 3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.202 5.322 4.661 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.461 6.188 3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.052 3.591 4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.416 5.195 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.562 1.705 2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.940 3.303 -0.344 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.506 1.555 0.391 1.00 0.00 H new ATOM 801 N LEU A 51 8.756 8.515 2.219 1.00 0.00 N ATOM 802 CA LEU A 51 8.726 9.401 1.050 1.00 0.00 C ATOM 803 C LEU A 51 9.769 10.533 1.147 1.00 0.00 C ATOM 804 O LEU A 51 10.030 11.188 0.169 1.00 0.00 O ATOM 805 CB LEU A 51 7.299 9.953 0.856 1.00 0.00 C ATOM 806 CG LEU A 51 6.199 8.867 0.606 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.800 9.493 0.591 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.460 8.073 -0.700 1.00 0.00 C ATOM 0 H LEU A 51 8.027 8.726 2.900 1.00 0.00 H new ATOM 0 HA LEU A 51 9.000 8.817 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.025 10.530 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.304 10.644 0.013 1.00 0.00 H new ATOM 0 HG LEU A 51 6.249 8.161 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.056 8.716 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.605 9.972 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.743 10.237 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.675 7.330 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.463 8.758 -1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.426 7.572 -0.635 1.00 0.00 H new ATOM 820 N SER A 52 10.288 10.820 2.351 1.00 0.00 N ATOM 821 CA SER A 52 11.398 11.789 2.529 1.00 0.00 C ATOM 822 C SER A 52 12.767 11.146 2.209 1.00 0.00 C ATOM 823 O SER A 52 13.725 11.860 1.902 1.00 0.00 O ATOM 824 CB SER A 52 11.394 12.373 3.956 1.00 0.00 C ATOM 825 OG SER A 52 10.225 13.133 4.192 1.00 0.00 O ATOM 0 H SER A 52 9.961 10.398 3.220 1.00 0.00 H new ATOM 0 HA SER A 52 11.239 12.604 1.822 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.458 11.564 4.684 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.274 13.000 4.098 1.00 0.00 H new ATOM 0 HG SER A 52 9.468 12.530 4.347 1.00 0.00 H new ATOM 831 N GLN A 53 12.850 9.793 2.285 1.00 0.00 N ATOM 832 CA GLN A 53 14.070 9.036 1.899 1.00 0.00 C ATOM 833 C GLN A 53 14.363 9.208 0.392 1.00 0.00 C ATOM 834 O GLN A 53 15.517 9.134 -0.044 1.00 0.00 O ATOM 835 CB GLN A 53 13.921 7.529 2.250 1.00 0.00 C ATOM 836 CG GLN A 53 13.605 7.241 3.740 1.00 0.00 C ATOM 837 CD GLN A 53 14.593 7.878 4.732 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.782 8.017 4.452 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.105 8.285 5.890 1.00 0.00 N ATOM 0 H GLN A 53 12.085 9.202 2.611 1.00 0.00 H new ATOM 0 HA GLN A 53 14.910 9.439 2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.128 7.103 1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.844 7.014 1.982 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.601 7.603 3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.597 6.162 3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.115 8.158 6.099 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.718 8.726 6.575 1.00 0.00 H new ATOM 848 N HIS A 54 13.277 9.446 -0.356 1.00 0.00 N ATOM 849 CA HIS A 54 13.241 9.720 -1.794 1.00 0.00 C ATOM 850 C HIS A 54 11.806 10.143 -2.077 1.00 0.00 C ATOM 851 O HIS A 54 10.905 9.358 -1.837 1.00 0.00 O ATOM 852 CB HIS A 54 13.629 8.476 -2.671 1.00 0.00 C ATOM 853 CG HIS A 54 15.095 8.381 -3.025 1.00 0.00 C ATOM 854 ND1 HIS A 54 15.951 7.450 -2.486 1.00 0.00 N ATOM 855 CD2 HIS A 54 15.831 9.084 -3.913 1.00 0.00 C ATOM 856 CE1 HIS A 54 17.144 7.591 -3.023 1.00 0.00 C ATOM 857 NE2 HIS A 54 17.099 8.574 -3.894 1.00 0.00 N ATOM 0 H HIS A 54 12.344 9.452 0.055 1.00 0.00 H new ATOM 0 HA HIS A 54 13.973 10.485 -2.053 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.339 7.570 -2.139 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.048 8.504 -3.593 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.481 9.901 -4.527 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.015 6.998 -2.787 1.00 0.00 H new ATOM 0 HE2 HIS A 54 17.880 8.902 -4.462 1.00 0.00 H new ATOM 866 N LYS A 55 11.583 11.396 -2.466 1.00 0.00 N ATOM 867 CA LYS A 55 10.226 11.873 -2.806 1.00 0.00 C ATOM 868 C LYS A 55 9.768 11.273 -4.132 1.00 0.00 C ATOM 869 O LYS A 55 8.655 10.740 -4.232 1.00 0.00 O ATOM 870 CB LYS A 55 10.154 13.422 -2.797 1.00 0.00 C ATOM 871 CG LYS A 55 10.288 14.034 -1.384 1.00 0.00 C ATOM 872 CD LYS A 55 10.198 15.584 -1.327 1.00 0.00 C ATOM 873 CE LYS A 55 8.881 16.176 -1.882 1.00 0.00 C ATOM 874 NZ LYS A 55 8.883 16.307 -3.369 1.00 0.00 N ATOM 0 H LYS A 55 12.313 12.103 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 55 9.533 11.530 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.945 13.819 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.206 13.737 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.507 13.616 -0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.243 13.725 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.316 15.903 -0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.034 16.004 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.048 15.542 -1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.713 17.156 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.570 17.263 -3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.845 16.146 -3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.236 15.604 -3.780 1.00 0.00 H new ATOM 888 N ASP A 56 10.657 11.315 -5.127 1.00 0.00 N ATOM 889 CA ASP A 56 10.400 10.743 -6.447 1.00 0.00 C ATOM 890 C ASP A 56 10.831 9.264 -6.480 1.00 0.00 C ATOM 891 O ASP A 56 12.008 8.953 -6.693 1.00 0.00 O ATOM 892 CB ASP A 56 11.130 11.559 -7.541 1.00 0.00 C ATOM 893 CG ASP A 56 10.876 11.006 -8.959 1.00 0.00 C ATOM 894 OD1 ASP A 56 9.709 11.021 -9.412 1.00 0.00 O ATOM 895 OD2 ASP A 56 11.827 10.524 -9.613 1.00 0.00 O ATOM 0 H ASP A 56 11.576 11.748 -5.038 1.00 0.00 H new ATOM 0 HA ASP A 56 9.330 10.791 -6.649 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.801 12.597 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.201 11.554 -7.339 1.00 0.00 H new ATOM 900 N LYS A 57 9.870 8.381 -6.173 1.00 0.00 N ATOM 901 CA LYS A 57 9.955 6.933 -6.457 1.00 0.00 C ATOM 902 C LYS A 57 8.528 6.354 -6.454 1.00 0.00 C ATOM 903 O LYS A 57 7.638 6.867 -5.751 1.00 0.00 O ATOM 904 CB LYS A 57 10.917 6.160 -5.488 1.00 0.00 C ATOM 905 CG LYS A 57 10.388 5.746 -4.091 1.00 0.00 C ATOM 906 CD LYS A 57 9.851 6.917 -3.244 1.00 0.00 C ATOM 907 CE LYS A 57 9.722 6.571 -1.750 1.00 0.00 C ATOM 908 NZ LYS A 57 11.046 6.451 -1.083 1.00 0.00 N ATOM 0 H LYS A 57 9.000 8.651 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 57 10.405 6.798 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.245 5.255 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.802 6.779 -5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.593 5.011 -4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.191 5.254 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.515 7.774 -3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.876 7.217 -3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.134 7.341 -1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.177 5.633 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.908 6.284 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.572 5.655 -1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.585 7.330 -1.220 1.00 0.00 H new ATOM 922 N LYS A 58 8.317 5.301 -7.244 1.00 0.00 N ATOM 923 CA LYS A 58 6.986 4.753 -7.502 1.00 0.00 C ATOM 924 C LYS A 58 6.575 3.811 -6.367 1.00 0.00 C ATOM 925 O LYS A 58 6.974 2.647 -6.339 1.00 0.00 O ATOM 926 CB LYS A 58 6.981 4.053 -8.876 1.00 0.00 C ATOM 927 CG LYS A 58 5.572 3.812 -9.463 1.00 0.00 C ATOM 928 CD LYS A 58 5.581 3.766 -11.004 1.00 0.00 C ATOM 929 CE LYS A 58 6.500 2.665 -11.567 1.00 0.00 C ATOM 930 NZ LYS A 58 6.420 2.568 -13.045 1.00 0.00 N ATOM 0 H LYS A 58 9.067 4.803 -7.724 1.00 0.00 H new ATOM 0 HA LYS A 58 6.249 5.555 -7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.556 4.655 -9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.492 3.095 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.175 2.874 -9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.901 4.604 -9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.565 3.603 -11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.904 4.733 -11.389 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.530 2.869 -11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.227 1.706 -11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.179 1.593 -13.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.687 3.217 -13.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.338 2.826 -13.460 1.00 0.00 H new ATOM 944 N VAL A 59 5.836 4.358 -5.392 1.00 0.00 N ATOM 945 CA VAL A 59 5.353 3.612 -4.220 1.00 0.00 C ATOM 946 C VAL A 59 3.846 3.406 -4.304 1.00 0.00 C ATOM 947 O VAL A 59 3.107 4.324 -4.653 1.00 0.00 O ATOM 948 CB VAL A 59 5.745 4.342 -2.881 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.000 3.780 -1.643 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.263 4.246 -2.676 1.00 0.00 C ATOM 0 H VAL A 59 5.554 5.338 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 59 5.835 2.634 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 59 5.441 5.384 -2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.313 4.324 -0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.925 3.897 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.237 2.723 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.538 4.751 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.557 3.198 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.774 4.721 -3.513 1.00 0.00 H new ATOM 960 N LEU A 60 3.416 2.185 -3.968 1.00 0.00 N ATOM 961 CA LEU A 60 2.014 1.781 -3.994 1.00 0.00 C ATOM 962 C LEU A 60 1.555 1.403 -2.576 1.00 0.00 C ATOM 963 O LEU A 60 1.938 0.347 -2.059 1.00 0.00 O ATOM 964 CB LEU A 60 1.848 0.571 -4.934 1.00 0.00 C ATOM 965 CG LEU A 60 0.388 0.074 -5.123 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.430 1.052 -5.986 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.360 -1.340 -5.708 1.00 0.00 C ATOM 0 H LEU A 60 4.045 1.441 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 60 1.405 2.609 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.255 0.832 -5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.448 -0.253 -4.548 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.079 0.037 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.446 0.675 -6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.457 2.029 -5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.033 1.146 -6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.674 -1.663 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.858 -1.342 -6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.876 -2.023 -5.034 1.00 0.00 H new ATOM 979 N LEU A 61 0.747 2.266 -1.950 1.00 0.00 N ATOM 980 CA LEU A 61 0.174 2.002 -0.624 1.00 0.00 C ATOM 981 C LEU A 61 -1.002 1.009 -0.773 1.00 0.00 C ATOM 982 O LEU A 61 -2.099 1.407 -1.138 1.00 0.00 O ATOM 983 CB LEU A 61 -0.299 3.344 0.023 1.00 0.00 C ATOM 984 CG LEU A 61 0.757 4.510 0.066 1.00 0.00 C ATOM 985 CD1 LEU A 61 0.184 5.767 0.757 1.00 0.00 C ATOM 986 CD2 LEU A 61 2.071 4.072 0.751 1.00 0.00 C ATOM 0 H LEU A 61 0.472 3.165 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 61 0.926 1.560 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.175 3.696 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.621 3.137 1.044 1.00 0.00 H new ATOM 0 HG LEU A 61 0.987 4.763 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.940 6.552 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.692 6.115 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.101 5.522 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.772 4.906 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.862 3.763 1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.507 3.237 0.202 1.00 0.00 H new ATOM 998 N HIS A 62 -0.761 -0.295 -0.531 1.00 0.00 N ATOM 999 CA HIS A 62 -1.807 -1.334 -0.696 1.00 0.00 C ATOM 1000 C HIS A 62 -2.593 -1.503 0.620 1.00 0.00 C ATOM 1001 O HIS A 62 -1.999 -1.556 1.708 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.208 -2.698 -1.178 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.788 -3.657 -0.080 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.675 -4.504 0.544 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.404 -3.892 0.505 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -1.048 -5.196 1.467 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.215 -4.852 1.459 1.00 0.00 N ATOM 0 H HIS A 62 0.142 -0.656 -0.222 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.493 -1.001 -1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.946 -3.196 -1.807 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.341 -2.492 -1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.339 -3.409 0.263 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.499 -5.926 2.123 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.939 -5.237 2.065 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.926 -1.606 0.508 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.839 -1.711 1.670 1.00 0.00 C ATOM 1018 C CYS A 63 -5.556 -3.064 1.729 1.00 0.00 C ATOM 1019 O CYS A 63 -5.602 -3.804 0.739 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.857 -0.564 1.638 1.00 0.00 C ATOM 1021 SG CYS A 63 -7.180 -0.646 2.859 1.00 0.00 S ATOM 0 H CYS A 63 -4.408 -1.619 -0.391 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.232 -1.635 2.572 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.321 0.375 1.775 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.307 -0.532 0.646 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.699 -1.062 3.993 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.024 -3.395 2.955 1.00 0.00 N ATOM 1028 CA ARG A 64 -6.897 -4.553 3.262 1.00 0.00 C ATOM 1029 C ARG A 64 -8.118 -4.606 2.298 1.00 0.00 C ATOM 1030 O ARG A 64 -8.516 -5.690 1.859 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.360 -4.443 4.759 1.00 0.00 C ATOM 1032 CG ARG A 64 -7.651 -5.763 5.509 1.00 0.00 C ATOM 1033 CD ARG A 64 -8.903 -6.507 5.025 1.00 0.00 C ATOM 1034 NE ARG A 64 -9.202 -7.659 5.893 1.00 0.00 N ATOM 1035 CZ ARG A 64 -10.253 -8.478 5.777 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -11.121 -8.355 4.786 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -10.414 -9.455 6.654 1.00 0.00 N ATOM 0 H ARG A 64 -5.797 -2.846 3.784 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.341 -5.480 3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.591 -3.904 5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.262 -3.832 4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.789 -6.422 5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.761 -5.546 6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.754 -5.825 5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.754 -6.848 4.001 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.548 -7.850 6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.997 -7.622 4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.914 -8.993 4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.740 -9.578 7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.212 -10.085 6.575 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.695 -3.426 1.981 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.840 -3.312 1.047 1.00 0.00 C ATOM 1053 C ALA A 65 -9.615 -2.175 0.027 1.00 0.00 C ATOM 1054 O ALA A 65 -9.792 -2.383 -1.179 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.158 -3.116 1.821 1.00 0.00 C ATOM 0 H ALA A 65 -8.384 -2.532 2.361 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.915 -4.245 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.985 -3.035 1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.324 -3.969 2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.098 -2.205 2.417 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.238 -0.966 0.507 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.911 0.148 -0.401 1.00 0.00 C ATOM 1063 C GLY A 66 -8.923 1.529 0.244 1.00 0.00 C ATOM 1064 O GLY A 66 -8.179 2.418 -0.192 1.00 0.00 O ATOM 0 H GLY A 66 -9.155 -0.744 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.924 -0.029 -0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.621 0.143 -1.228 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.786 1.727 1.258 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.933 3.032 1.937 1.00 0.00 C ATOM 1070 C ARG A 67 -8.629 3.473 2.631 1.00 0.00 C ATOM 1071 O ARG A 67 -8.236 4.620 2.480 1.00 0.00 O ATOM 1072 CB ARG A 67 -11.111 3.020 2.955 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.229 4.304 3.821 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.408 5.593 2.985 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.026 6.790 3.752 1.00 0.00 N ATOM 1076 CZ ARG A 67 -11.091 8.048 3.308 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -11.589 8.327 2.110 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.650 9.035 4.077 1.00 0.00 N ATOM 0 H ARG A 67 -10.395 0.997 1.628 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.161 3.761 1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -12.044 2.878 2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.994 2.161 3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.075 4.199 4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.336 4.401 4.438 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.801 5.529 2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.447 5.680 2.666 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.683 6.647 4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.930 7.575 1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.631 9.294 1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.265 8.830 4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.696 9.999 3.746 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.964 2.566 3.374 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.712 2.913 4.110 1.00 0.00 C ATOM 1094 C ARG A 68 -5.585 3.307 3.135 1.00 0.00 C ATOM 1095 O ARG A 68 -4.691 4.069 3.488 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.251 1.741 5.012 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.305 1.285 6.036 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.683 2.372 7.060 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.773 1.925 7.952 1.00 0.00 N ATOM 1100 CZ ARG A 68 -8.894 2.204 9.261 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -7.932 2.843 9.920 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -9.986 1.821 9.913 1.00 0.00 N ATOM 0 H ARG A 68 -8.261 1.597 3.486 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.934 3.770 4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.983 0.894 4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.348 2.040 5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.203 0.971 5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.928 0.412 6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.808 2.631 7.656 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.990 3.276 6.535 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.504 1.349 7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.084 3.130 9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.042 3.046 10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.725 1.319 9.420 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.086 2.029 10.907 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.660 2.758 1.915 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.761 3.109 0.805 1.00 0.00 C ATOM 1118 C ALA A 69 -4.961 4.575 0.397 1.00 0.00 C ATOM 1119 O ALA A 69 -4.004 5.356 0.377 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.009 2.165 -0.384 1.00 0.00 C ATOM 0 H ALA A 69 -6.353 2.051 1.668 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.727 2.991 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.341 2.429 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.819 1.136 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.043 2.260 -0.714 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.229 4.924 0.092 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.639 6.289 -0.278 1.00 0.00 C ATOM 1128 C LEU A 70 -6.284 7.293 0.828 1.00 0.00 C ATOM 1129 O LEU A 70 -5.522 8.213 0.592 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.167 6.320 -0.573 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.804 7.731 -0.823 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.173 8.451 -2.037 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.334 7.631 -0.980 1.00 0.00 C ATOM 0 H LEU A 70 -7.001 4.258 0.097 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.096 6.580 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.358 5.700 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.686 5.856 0.266 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.588 8.335 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.647 9.424 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.106 8.588 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.321 7.850 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.748 8.625 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.572 6.987 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.766 7.210 -0.072 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.832 7.044 2.029 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.707 7.899 3.234 1.00 0.00 C ATOM 1147 C ASP A 71 -5.242 8.272 3.532 1.00 0.00 C ATOM 1148 O ASP A 71 -4.912 9.462 3.707 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.340 7.143 4.436 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.335 7.925 5.763 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -8.250 8.750 5.974 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -6.429 7.707 6.598 1.00 0.00 O ATOM 0 H ASP A 71 -7.397 6.212 2.200 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.232 8.838 3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.369 6.887 4.185 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.804 6.205 4.581 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.379 7.238 3.567 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.928 7.405 3.752 1.00 0.00 C ATOM 1159 C ALA A 72 -2.339 8.309 2.660 1.00 0.00 C ATOM 1160 O ALA A 72 -1.704 9.324 2.958 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.244 6.034 3.740 1.00 0.00 C ATOM 0 H ALA A 72 -4.670 6.265 3.468 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.751 7.883 4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.170 6.162 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.643 5.421 4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.432 5.542 2.786 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.631 7.957 1.397 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.110 8.666 0.224 1.00 0.00 C ATOM 1169 C ALA A 73 -2.579 10.131 0.174 1.00 0.00 C ATOM 1170 O ALA A 73 -1.813 10.981 -0.269 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.489 7.922 -1.064 1.00 0.00 C ATOM 0 H ALA A 73 -3.237 7.170 1.164 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.024 8.686 0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.095 8.461 -1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.067 6.917 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.574 7.858 -1.142 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.816 10.424 0.670 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.369 11.803 0.674 1.00 0.00 C ATOM 1179 C LYS A 74 -3.472 12.678 1.520 1.00 0.00 C ATOM 1180 O LYS A 74 -2.920 13.641 1.012 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.842 11.889 1.189 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.852 10.973 0.446 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.315 11.491 0.444 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.524 12.661 -0.542 1.00 0.00 C ATOM 1185 NZ LYS A 74 -9.933 13.129 -0.589 1.00 0.00 N ATOM 0 H LYS A 74 -4.442 9.725 1.069 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.396 12.146 -0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.856 11.635 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.181 12.922 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.522 10.853 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.831 9.984 0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.987 10.674 0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.584 11.814 1.449 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.879 13.492 -0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.216 12.349 -1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.016 13.914 -1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.549 12.347 -0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.222 13.454 0.355 1.00 0.00 H new ATOM 1199 N SER A 75 -3.255 12.228 2.767 1.00 0.00 N ATOM 1200 CA SER A 75 -2.423 12.920 3.769 1.00 0.00 C ATOM 1201 C SER A 75 -1.024 13.272 3.212 1.00 0.00 C ATOM 1202 O SER A 75 -0.544 14.386 3.389 1.00 0.00 O ATOM 1203 CB SER A 75 -2.295 12.021 5.011 1.00 0.00 C ATOM 1204 OG SER A 75 -3.562 11.542 5.436 1.00 0.00 O ATOM 0 H SER A 75 -3.659 11.358 3.114 1.00 0.00 H new ATOM 0 HA SER A 75 -2.906 13.861 4.034 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.642 11.178 4.786 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.826 12.580 5.820 1.00 0.00 H new ATOM 0 HG SER A 75 -3.506 11.253 6.371 1.00 0.00 H new ATOM 1210 N MET A 76 -0.417 12.301 2.505 1.00 0.00 N ATOM 1211 CA MET A 76 0.912 12.449 1.878 1.00 0.00 C ATOM 1212 C MET A 76 0.894 13.493 0.746 1.00 0.00 C ATOM 1213 O MET A 76 1.811 14.314 0.643 1.00 0.00 O ATOM 1214 CB MET A 76 1.392 11.070 1.364 1.00 0.00 C ATOM 1215 CG MET A 76 1.881 10.090 2.452 1.00 0.00 C ATOM 1216 SD MET A 76 0.812 9.985 3.906 1.00 0.00 S ATOM 1217 CE MET A 76 1.570 11.148 5.040 1.00 0.00 C ATOM 0 H MET A 76 -0.837 11.384 2.351 1.00 0.00 H new ATOM 0 HA MET A 76 1.614 12.814 2.628 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.574 10.600 0.817 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.202 11.229 0.652 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.973 9.097 2.013 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.879 10.391 2.772 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.275 10.905 6.061 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.655 11.088 4.951 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.241 12.159 4.798 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.161 13.455 -0.089 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.364 14.429 -1.185 1.00 0.00 C ATOM 1229 C HIS A 77 -0.579 15.861 -0.635 1.00 0.00 C ATOM 1230 O HIS A 77 -0.189 16.838 -1.281 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.535 13.986 -2.111 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.195 12.918 -3.137 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.220 13.152 -4.498 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -0.859 11.612 -3.011 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.931 12.043 -5.145 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.713 11.094 -4.267 1.00 0.00 N ATOM 0 H HIS A 77 -0.897 12.751 -0.026 1.00 0.00 H new ATOM 0 HA HIS A 77 0.544 14.451 -1.788 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.349 13.618 -1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.910 14.864 -2.638 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.729 11.075 -2.083 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.882 11.933 -6.218 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.474 10.127 -4.486 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.166 15.959 0.576 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.398 17.239 1.275 1.00 0.00 C ATOM 1247 C GLU A 78 -0.091 17.805 1.857 1.00 0.00 C ATOM 1248 O GLU A 78 0.031 19.017 2.055 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.449 17.044 2.396 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.771 16.423 1.912 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.494 17.257 0.842 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.256 18.181 1.204 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -4.318 16.986 -0.370 1.00 0.00 O ATOM 0 H GLU A 78 -1.494 15.147 1.099 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.776 17.960 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.023 16.408 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.660 18.010 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.569 15.430 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.434 16.292 2.767 1.00 0.00 H new ATOM 1260 N LEU A 79 0.867 16.907 2.156 1.00 0.00 N ATOM 1261 CA LEU A 79 2.227 17.299 2.597 1.00 0.00 C ATOM 1262 C LEU A 79 3.112 17.694 1.397 1.00 0.00 C ATOM 1263 O LEU A 79 4.153 18.331 1.577 1.00 0.00 O ATOM 1264 CB LEU A 79 2.905 16.154 3.391 1.00 0.00 C ATOM 1265 CG LEU A 79 2.123 15.622 4.628 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.902 14.504 5.343 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.752 16.757 5.616 1.00 0.00 C ATOM 0 H LEU A 79 0.726 15.898 2.101 1.00 0.00 H new ATOM 0 HA LEU A 79 2.118 18.165 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.079 15.321 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.882 16.501 3.726 1.00 0.00 H new ATOM 0 HG LEU A 79 1.190 15.200 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.330 14.154 6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.065 13.676 4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.864 14.889 5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.208 16.339 6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.661 17.241 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.125 17.491 5.109 1.00 0.00 H new ATOM 1279 N GLY A 80 2.702 17.284 0.181 1.00 0.00 N ATOM 1280 CA GLY A 80 3.406 17.646 -1.062 1.00 0.00 C ATOM 1281 C GLY A 80 4.064 16.463 -1.755 1.00 0.00 C ATOM 1282 O GLY A 80 4.750 16.646 -2.767 1.00 0.00 O ATOM 0 H GLY A 80 1.880 16.698 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.698 18.111 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.167 18.393 -0.835 1.00 0.00 H new ATOM 1286 N TYR A 81 3.882 15.248 -1.207 1.00 0.00 N ATOM 1287 CA TYR A 81 4.356 13.998 -1.849 1.00 0.00 C ATOM 1288 C TYR A 81 3.310 13.518 -2.873 1.00 0.00 C ATOM 1289 O TYR A 81 2.219 14.081 -2.953 1.00 0.00 O ATOM 1290 CB TYR A 81 4.607 12.901 -0.792 1.00 0.00 C ATOM 1291 CG TYR A 81 5.482 13.339 0.395 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.844 13.630 0.236 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.942 13.460 1.679 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.622 14.018 1.315 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.720 13.848 2.749 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.058 14.124 2.565 1.00 0.00 C ATOM 1297 OH TYR A 81 7.837 14.520 3.633 1.00 0.00 O ATOM 0 H TYR A 81 3.408 15.100 -0.316 1.00 0.00 H new ATOM 0 HA TYR A 81 5.298 14.200 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.646 12.557 -0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.080 12.048 -1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.294 13.551 -0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.895 13.245 1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.670 14.237 1.175 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.281 13.936 3.732 1.00 0.00 H new ATOM 0 HH TYR A 81 8.698 14.052 3.601 1.00 0.00 H new ATOM 1307 N THR A 82 3.636 12.466 -3.645 1.00 0.00 N ATOM 1308 CA THR A 82 2.700 11.871 -4.633 1.00 0.00 C ATOM 1309 C THR A 82 2.876 10.328 -4.724 1.00 0.00 C ATOM 1310 O THR A 82 3.355 9.807 -5.745 1.00 0.00 O ATOM 1311 CB THR A 82 2.853 12.536 -6.059 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.244 12.708 -6.363 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.139 13.892 -6.177 1.00 0.00 C ATOM 0 H THR A 82 4.544 12.004 -3.608 1.00 0.00 H new ATOM 0 HA THR A 82 1.690 12.076 -4.278 1.00 0.00 H new ATOM 0 HB THR A 82 2.379 11.861 -6.771 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.337 13.119 -7.248 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.284 14.293 -7.180 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.073 13.760 -5.989 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.553 14.586 -5.445 1.00 0.00 H new ATOM 1321 N PRO A 83 2.530 9.557 -3.636 1.00 0.00 N ATOM 1322 CA PRO A 83 2.434 8.081 -3.715 1.00 0.00 C ATOM 1323 C PRO A 83 1.131 7.614 -4.406 1.00 0.00 C ATOM 1324 O PRO A 83 0.109 8.314 -4.396 1.00 0.00 O ATOM 1325 CB PRO A 83 2.447 7.647 -2.227 1.00 0.00 C ATOM 1326 CG PRO A 83 1.806 8.797 -1.515 1.00 0.00 C ATOM 1327 CD PRO A 83 2.276 10.037 -2.245 1.00 0.00 C ATOM 0 HA PRO A 83 3.239 7.647 -4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.891 6.722 -2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.462 7.471 -1.870 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.719 8.716 -1.538 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.102 8.823 -0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.521 10.823 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.178 10.449 -1.793 1.00 0.00 H new ATOM 1335 N TYR A 84 1.195 6.423 -4.994 1.00 0.00 N ATOM 1336 CA TYR A 84 0.024 5.706 -5.536 1.00 0.00 C ATOM 1337 C TYR A 84 -0.621 4.895 -4.414 1.00 0.00 C ATOM 1338 O TYR A 84 -0.087 4.844 -3.293 1.00 0.00 O ATOM 1339 CB TYR A 84 0.457 4.761 -6.689 1.00 0.00 C ATOM 1340 CG TYR A 84 1.190 5.479 -7.829 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.552 5.785 -7.730 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.520 5.877 -8.988 1.00 0.00 C ATOM 1343 CE1 TYR A 84 3.208 6.451 -8.739 1.00 0.00 C ATOM 1344 CE2 TYR A 84 1.178 6.545 -10.000 1.00 0.00 C ATOM 1345 CZ TYR A 84 2.523 6.828 -9.870 1.00 0.00 C ATOM 1346 OH TYR A 84 3.187 7.496 -10.871 1.00 0.00 O ATOM 0 H TYR A 84 2.071 5.914 -5.114 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.692 6.426 -5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.104 3.982 -6.286 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.426 4.265 -7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.098 5.493 -6.845 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.532 5.658 -9.094 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.260 6.677 -8.643 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.644 6.845 -10.889 1.00 0.00 H new ATOM 0 HH TYR A 84 2.565 7.691 -11.602 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.754 4.248 -4.712 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.461 3.426 -3.726 1.00 0.00 C ATOM 1358 C TYR A 85 -3.318 2.357 -4.425 1.00 0.00 C ATOM 1359 O TYR A 85 -3.834 2.580 -5.528 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.293 4.320 -2.777 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.441 5.115 -3.421 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.223 6.380 -3.966 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.745 4.604 -3.460 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.251 7.097 -4.520 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.773 5.328 -4.014 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.519 6.572 -4.539 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.541 7.296 -5.096 1.00 0.00 O ATOM 0 H TYR A 85 -2.200 4.279 -5.629 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.731 2.897 -3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.712 3.689 -1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.618 5.026 -2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.229 6.801 -3.951 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.945 3.626 -3.048 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.064 8.074 -4.941 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.774 4.922 -4.037 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.376 6.786 -5.032 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.439 1.193 -3.768 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.095 0.003 -4.317 1.00 0.00 C ATOM 1379 C LEU A 86 -5.399 -0.262 -3.562 1.00 0.00 C ATOM 1380 O LEU A 86 -5.390 -0.532 -2.337 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.120 -1.215 -4.227 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.536 -2.569 -4.925 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.535 -3.409 -4.097 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.074 -2.324 -6.345 1.00 0.00 C ATOM 0 H LEU A 86 -3.077 1.053 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.343 0.162 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.164 -0.905 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.950 -1.425 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.622 -3.159 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.776 -4.324 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.088 -3.662 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.446 -2.834 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.352 -3.276 -6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.949 -1.677 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.303 -1.846 -6.949 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.504 -0.206 -4.322 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.838 -0.571 -3.852 1.00 0.00 C ATOM 1398 C GLU A 87 -8.149 -2.005 -4.321 1.00 0.00 C ATOM 1399 O GLU A 87 -8.429 -2.241 -5.506 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.886 0.449 -4.371 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.582 1.909 -3.967 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.665 2.906 -4.407 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -9.757 3.200 -5.619 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -10.441 3.381 -3.548 1.00 0.00 O ATOM 0 H GLU A 87 -6.489 0.100 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.879 -0.544 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.936 0.385 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.869 0.173 -3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.469 1.962 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.628 2.206 -4.402 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.022 -2.952 -3.382 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.283 -4.366 -3.624 1.00 0.00 C ATOM 1413 C GLY A 88 -8.121 -5.168 -2.342 1.00 0.00 C ATOM 1414 O GLY A 88 -7.378 -4.743 -1.443 1.00 0.00 O ATOM 0 H GLY A 88 -7.732 -2.750 -2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.293 -4.493 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.598 -4.743 -4.384 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.818 -6.316 -2.253 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.787 -7.178 -1.053 1.00 0.00 C ATOM 1420 C ASN A 89 -7.397 -7.807 -0.870 1.00 0.00 C ATOM 1421 O ASN A 89 -6.865 -8.412 -1.804 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.850 -8.291 -1.139 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.277 -7.759 -1.178 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.831 -7.511 -2.249 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -11.877 -7.571 -0.011 1.00 0.00 N ATOM 0 H ASN A 89 -9.413 -6.671 -3.001 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.010 -6.548 -0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.668 -8.889 -2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.741 -8.956 -0.282 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.830 -7.209 0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.386 -7.788 0.856 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.839 -7.678 0.352 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.465 -8.102 0.669 1.00 0.00 C ATOM 1434 C VAL A 90 -5.266 -9.632 0.513 1.00 0.00 C ATOM 1435 O VAL A 90 -4.201 -10.080 0.101 1.00 0.00 O ATOM 1436 CB VAL A 90 -5.016 -7.591 2.097 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.849 -8.215 3.234 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.504 -7.796 2.333 1.00 0.00 C ATOM 0 H VAL A 90 -7.334 -7.275 1.148 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.812 -7.631 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.209 -6.518 2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.501 -7.831 4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.899 -7.957 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.737 -9.299 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.238 -7.432 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.265 -8.857 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.940 -7.244 1.581 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.318 -10.415 0.790 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.281 -11.892 0.658 1.00 0.00 C ATOM 1450 C TYR A 91 -6.400 -12.328 -0.820 1.00 0.00 C ATOM 1451 O TYR A 91 -5.956 -13.424 -1.193 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.416 -12.529 1.498 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.315 -12.220 3.002 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -7.857 -11.047 3.538 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -6.659 -13.088 3.876 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -7.747 -10.757 4.881 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -6.552 -12.797 5.222 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.094 -11.634 5.719 1.00 0.00 C ATOM 1459 OH TYR A 91 -6.979 -11.348 7.058 1.00 0.00 O ATOM 0 H TYR A 91 -7.216 -10.053 1.110 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.319 -12.241 1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.376 -12.173 1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.400 -13.610 1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.371 -10.356 2.887 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.228 -14.002 3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.171 -9.845 5.275 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.043 -13.482 5.884 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.491 -12.070 7.506 1.00 0.00 H new ATOM 1469 N ASP A 92 -6.987 -11.448 -1.651 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.252 -11.729 -3.077 1.00 0.00 C ATOM 1471 C ASP A 92 -6.002 -11.581 -3.950 1.00 0.00 C ATOM 1472 O ASP A 92 -6.007 -12.051 -5.078 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.407 -10.836 -3.630 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.804 -11.387 -3.308 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.192 -11.389 -2.121 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.524 -11.820 -4.239 1.00 0.00 O ATOM 0 H ASP A 92 -7.292 -10.521 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.563 -12.773 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.314 -9.833 -3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.300 -10.743 -4.711 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.937 -10.956 -3.427 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.680 -10.759 -4.190 1.00 0.00 C ATOM 1483 C PHE A 93 -3.128 -12.108 -4.700 1.00 0.00 C ATOM 1484 O PHE A 93 -2.730 -12.233 -5.865 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.610 -10.042 -3.320 1.00 0.00 C ATOM 1486 CG PHE A 93 -3.001 -8.668 -2.764 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.058 -7.935 -3.284 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.286 -8.100 -1.726 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.385 -6.689 -2.791 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.605 -6.856 -1.236 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.653 -6.146 -1.767 1.00 0.00 C ATOM 0 H PHE A 93 -4.914 -10.576 -2.481 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.909 -10.129 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.358 -10.692 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.705 -9.926 -3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.639 -8.350 -4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.461 -8.644 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.216 -6.142 -3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.027 -6.434 -0.427 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.899 -5.168 -1.381 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.189 -13.120 -3.811 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.673 -14.473 -4.070 1.00 0.00 C ATOM 1503 C GLU A 94 -3.430 -15.137 -5.252 1.00 0.00 C ATOM 1504 O GLU A 94 -2.811 -15.672 -6.173 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.771 -15.338 -2.765 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.530 -16.214 -2.461 1.00 0.00 C ATOM 1507 CD GLU A 94 -1.149 -17.172 -3.599 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -1.890 -18.146 -3.836 1.00 0.00 O ATOM 1509 OE2 GLU A 94 -0.100 -16.968 -4.251 1.00 0.00 O ATOM 0 H GLU A 94 -3.603 -13.016 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.624 -14.404 -4.357 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.942 -14.673 -1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.644 -15.986 -2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.682 -15.563 -2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.720 -16.795 -1.559 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.775 -15.057 -5.223 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.640 -15.679 -6.254 1.00 0.00 C ATOM 1518 C LYS A 95 -5.679 -14.842 -7.554 1.00 0.00 C ATOM 1519 O LYS A 95 -6.121 -15.338 -8.591 1.00 0.00 O ATOM 1520 CB LYS A 95 -7.066 -15.930 -5.688 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.781 -14.676 -5.157 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.123 -14.955 -4.423 1.00 0.00 C ATOM 1523 CE LYS A 95 -10.291 -15.322 -5.360 1.00 0.00 C ATOM 1524 NZ LYS A 95 -10.132 -16.650 -6.000 1.00 0.00 N ATOM 0 H LYS A 95 -5.291 -14.565 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.207 -16.644 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.679 -16.376 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.998 -16.661 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.111 -14.154 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.973 -14.003 -5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.973 -15.767 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.399 -14.073 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.221 -15.309 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.379 -14.561 -6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.057 -17.122 -6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.747 -16.530 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.480 -17.232 -5.436 1.00 0.00 H new ATOM 1538 N TYR A 96 -5.215 -13.575 -7.490 1.00 0.00 N ATOM 1539 CA TYR A 96 -4.978 -12.733 -8.688 1.00 0.00 C ATOM 1540 C TYR A 96 -3.613 -13.075 -9.329 1.00 0.00 C ATOM 1541 O TYR A 96 -3.352 -12.693 -10.470 1.00 0.00 O ATOM 1542 CB TYR A 96 -5.058 -11.214 -8.333 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.478 -10.603 -8.374 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.469 -10.992 -7.466 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.822 -9.631 -9.320 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.731 -10.436 -7.496 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.085 -9.069 -9.348 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.033 -9.472 -8.434 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.292 -8.907 -8.456 1.00 0.00 O ATOM 0 H TYR A 96 -4.994 -13.107 -6.611 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.763 -12.948 -9.413 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.646 -11.068 -7.335 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.422 -10.661 -9.024 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.241 -11.744 -6.725 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.086 -9.313 -10.043 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.480 -10.755 -6.787 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.327 -8.317 -10.084 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.341 -8.244 -9.176 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.731 -13.758 -8.566 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.471 -14.309 -9.109 1.00 0.00 C ATOM 1561 C GLY A 97 -0.229 -13.765 -8.415 1.00 0.00 C ATOM 1562 O GLY A 97 0.883 -14.236 -8.667 1.00 0.00 O ATOM 0 H GLY A 97 -2.869 -13.941 -7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.486 -15.395 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.412 -14.083 -10.174 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.423 -12.766 -7.549 1.00 0.00 N ATOM 1567 CA PHE A 98 0.657 -12.091 -6.811 1.00 0.00 C ATOM 1568 C PHE A 98 0.912 -12.847 -5.506 1.00 0.00 C ATOM 1569 O PHE A 98 0.046 -12.847 -4.626 1.00 0.00 O ATOM 1570 CB PHE A 98 0.238 -10.631 -6.523 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.250 -9.877 -7.767 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.656 -9.343 -8.686 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.617 -9.711 -8.014 1.00 0.00 C ATOM 1574 CE1 PHE A 98 0.212 -8.664 -9.805 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.056 -9.034 -9.135 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.144 -8.510 -10.028 1.00 0.00 C ATOM 0 H PHE A 98 -1.349 -12.395 -7.335 1.00 0.00 H new ATOM 0 HA PHE A 98 1.574 -12.082 -7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.553 -10.630 -5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.085 -10.096 -6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.717 -9.462 -8.520 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.338 -10.117 -7.320 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.924 -8.254 -10.505 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.115 -8.915 -9.313 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.490 -7.979 -10.902 1.00 0.00 H new ATOM 1586 N ARG A 99 2.088 -13.505 -5.390 1.00 0.00 N ATOM 1587 CA ARG A 99 2.421 -14.341 -4.213 1.00 0.00 C ATOM 1588 C ARG A 99 2.463 -13.490 -2.931 1.00 0.00 C ATOM 1589 O ARG A 99 2.717 -12.275 -2.967 1.00 0.00 O ATOM 1590 CB ARG A 99 3.760 -15.142 -4.388 1.00 0.00 C ATOM 1591 CG ARG A 99 5.083 -14.392 -4.058 1.00 0.00 C ATOM 1592 CD ARG A 99 5.309 -13.157 -4.929 1.00 0.00 C ATOM 1593 NE ARG A 99 6.678 -12.616 -4.772 1.00 0.00 N ATOM 1594 CZ ARG A 99 7.226 -11.649 -5.520 1.00 0.00 C ATOM 1595 NH1 ARG A 99 6.589 -11.143 -6.562 1.00 0.00 N ATOM 1596 NH2 ARG A 99 8.433 -11.191 -5.216 1.00 0.00 N ATOM 0 H ARG A 99 2.823 -13.473 -6.097 1.00 0.00 H new ATOM 0 HA ARG A 99 1.624 -15.079 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.708 -16.030 -3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.815 -15.487 -5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.071 -14.092 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.922 -15.076 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.137 -13.413 -5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.582 -12.389 -4.666 1.00 0.00 H new ATOM 0 HE ARG A 99 7.254 -13.014 -4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.662 -11.488 -6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.025 -10.407 -7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.938 -11.575 -4.417 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.856 -10.455 -5.781 1.00 0.00 H new ATOM 1610 N MET A 100 2.224 -14.155 -1.810 1.00 0.00 N ATOM 1611 CA MET A 100 2.059 -13.508 -0.501 1.00 0.00 C ATOM 1612 C MET A 100 2.745 -14.345 0.578 1.00 0.00 C ATOM 1613 O MET A 100 2.801 -15.576 0.477 1.00 0.00 O ATOM 1614 CB MET A 100 0.552 -13.329 -0.146 1.00 0.00 C ATOM 1615 CG MET A 100 -0.288 -12.580 -1.197 1.00 0.00 C ATOM 1616 SD MET A 100 -1.846 -11.965 -0.542 1.00 0.00 S ATOM 1617 CE MET A 100 -1.240 -10.767 0.638 1.00 0.00 C ATOM 0 H MET A 100 2.137 -15.171 -1.775 1.00 0.00 H new ATOM 0 HA MET A 100 2.518 -12.520 -0.550 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.113 -14.314 0.010 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.480 -12.794 0.801 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.291 -11.743 -1.588 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.490 -13.247 -2.035 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.031 -10.055 0.873 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.930 -11.279 1.549 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.389 -10.236 0.213 1.00 0.00 H new ATOM 1627 N VAL A 101 3.279 -13.666 1.599 1.00 0.00 N ATOM 1628 CA VAL A 101 3.931 -14.317 2.740 1.00 0.00 C ATOM 1629 C VAL A 101 2.911 -14.483 3.885 1.00 0.00 C ATOM 1630 O VAL A 101 2.396 -13.482 4.409 1.00 0.00 O ATOM 1631 CB VAL A 101 5.167 -13.497 3.255 1.00 0.00 C ATOM 1632 CG1 VAL A 101 6.013 -14.337 4.236 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.030 -12.969 2.088 1.00 0.00 C ATOM 0 H VAL A 101 3.271 -12.648 1.657 1.00 0.00 H new ATOM 0 HA VAL A 101 4.292 -15.290 2.409 1.00 0.00 H new ATOM 0 HB VAL A 101 4.784 -12.629 3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.864 -13.748 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.401 -14.623 5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.373 -15.233 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.875 -12.407 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.398 -13.809 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.427 -12.318 1.455 1.00 0.00 H new ATOM 1643 N TYR A 102 2.628 -15.743 4.248 1.00 0.00 N ATOM 1644 CA TYR A 102 1.671 -16.097 5.314 1.00 0.00 C ATOM 1645 C TYR A 102 2.419 -16.558 6.569 1.00 0.00 C ATOM 1646 O TYR A 102 3.481 -17.188 6.455 1.00 0.00 O ATOM 1647 CB TYR A 102 0.717 -17.216 4.818 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.216 -16.777 3.680 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -1.448 -16.187 3.955 1.00 0.00 C ATOM 1650 CD2 TYR A 102 0.141 -16.931 2.334 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -2.286 -15.770 2.943 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -0.701 -16.517 1.320 1.00 0.00 C ATOM 1653 CZ TYR A 102 -1.911 -15.934 1.633 1.00 0.00 C ATOM 1654 OH TYR A 102 -2.756 -15.512 0.634 1.00 0.00 O ATOM 0 H TYR A 102 3.060 -16.555 3.807 1.00 0.00 H new ATOM 0 HA TYR A 102 1.082 -15.215 5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.312 -18.064 4.480 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.113 -17.564 5.656 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.753 -16.054 4.982 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.091 -17.381 2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.236 -15.315 3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.413 -16.649 0.287 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.283 -14.749 0.952 1.00 0.00 H new