USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.5!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.131 (180deg=-0.72) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00843 USER MOD Single : A 12 GLN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00469) USER MOD Single : A 28 SER OG : rot 171:sc= -0.165 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= -0.693 (180deg=-0.821) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= -1.86 (180deg=-4.41!) USER MOD Single : A 43 HIS : no HD1:sc= -0.769 K(o=-0.77,f=-0.24) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 93:sc= 1.02 USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.171) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.88! X(o=-2.9!,f=-2.5) USER MOD Single : A 63 GLN : amide:sc= -9.26! C(o=-9.3!,f=-16!) USER MOD Single : A 67 SER OG : rot 100:sc= 0.965 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 170:sc= -0.407 USER MOD Single : A 76 THR OG1 : rot -61:sc= 0.0141 USER MOD Single : A 78 GLN : amide:sc= -1.96! C(o=-2!,f=-3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= 0.286 (180deg=0.247) USER MOD Single : A 90 SER OG : rot 105:sc= 1.12 USER MOD Single : A 93 ASN : amide:sc= -1.66 K(o=-1.7,f=-4.1!) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= -0.645 (180deg=-2.1!) USER MOD Single : A 96 LYS NZ :NH3+ -148:sc= -0.138 (180deg=-0.899) USER MOD Single : A 100 THR OG1 : rot 74:sc= 0.144 USER MOD Single : A 102 ASN : amide:sc= -1.26 K(o=-1.3,f=-1.8!) USER MOD Single : B 5 TYR OH : rot 156:sc= -6.33! USER MOD Single : B 11 SER OG : rot -16:sc= 0.379 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.695 -1.492 8.996 1.00 0.24 N ATOM 21 CA VAL A 2 -2.457 -1.514 8.160 1.00 0.19 C ATOM 22 C VAL A 2 -1.713 -2.838 8.371 1.00 0.22 C ATOM 23 O VAL A 2 -2.046 -3.619 9.239 1.00 0.28 O ATOM 24 CB VAL A 2 -1.557 -0.342 8.569 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.296 -0.315 7.694 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.332 0.968 8.397 1.00 0.30 C ATOM 0 HA VAL A 2 -2.723 -1.422 7.107 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.259 -0.461 9.611 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.336 0.521 7.993 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.253 -1.248 7.819 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.581 -0.199 6.648 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -1.698 1.806 8.686 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.629 1.081 7.354 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.221 0.951 9.028 1.00 0.30 H new ATOM 36 N LYS A 3 -0.703 -3.091 7.580 1.00 0.18 N ATOM 37 CA LYS A 3 0.072 -4.360 7.724 1.00 0.22 C ATOM 38 C LYS A 3 1.491 -4.140 7.195 1.00 0.16 C ATOM 39 O LYS A 3 1.687 -3.742 6.065 1.00 0.13 O ATOM 40 CB LYS A 3 -0.597 -5.475 6.910 1.00 0.26 C ATOM 41 CG LYS A 3 0.045 -6.836 7.240 1.00 0.34 C ATOM 42 CD LYS A 3 -0.623 -7.456 8.474 1.00 0.81 C ATOM 43 CE LYS A 3 0.027 -8.807 8.777 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.422 -9.284 10.116 1.00 1.97 N ATOM 0 H LYS A 3 -0.380 -2.471 6.837 1.00 0.18 H new ATOM 0 HA LYS A 3 0.102 -4.648 8.775 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.664 -5.505 7.130 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.497 -5.267 5.845 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.055 -7.509 6.388 1.00 0.34 H new ATOM 0 HG3 LYS A 3 1.112 -6.708 7.422 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -0.520 -6.790 9.331 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.691 -7.585 8.297 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.244 -9.533 8.011 1.00 1.37 H new ATOM 0 HE3 LYS A 3 1.113 -8.713 8.758 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 0.019 -10.203 10.323 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -0.142 -8.594 10.842 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.457 -9.389 10.118 1.00 1.97 H new ATOM 58 N GLN A 4 2.484 -4.392 8.005 1.00 0.18 N ATOM 59 CA GLN A 4 3.893 -4.193 7.552 1.00 0.15 C ATOM 60 C GLN A 4 4.427 -5.487 6.928 1.00 0.13 C ATOM 61 O GLN A 4 4.368 -6.548 7.518 1.00 0.14 O ATOM 62 CB GLN A 4 4.759 -3.802 8.757 1.00 0.20 C ATOM 63 CG GLN A 4 6.251 -3.917 8.403 1.00 0.21 C ATOM 64 CD GLN A 4 7.087 -3.153 9.433 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.559 -2.634 10.396 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.378 -3.064 9.269 1.00 0.98 N ATOM 0 H GLN A 4 2.381 -4.728 8.963 1.00 0.18 H new ATOM 0 HA GLN A 4 3.927 -3.400 6.805 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.529 -2.781 9.063 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.529 -4.448 9.604 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.550 -4.965 8.383 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.430 -3.516 7.406 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.821 -3.500 8.460 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.945 -2.558 9.950 1.00 0.98 H new ATOM 75 N ILE A 5 4.968 -5.390 5.743 1.00 0.10 N ATOM 76 CA ILE A 5 5.542 -6.583 5.051 1.00 0.10 C ATOM 77 C ILE A 5 7.066 -6.438 5.051 1.00 0.10 C ATOM 78 O ILE A 5 7.610 -5.594 4.365 1.00 0.11 O ATOM 79 CB ILE A 5 5.051 -6.616 3.600 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.545 -6.271 3.520 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.333 -7.989 2.983 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.690 -7.185 4.415 1.00 0.19 C ATOM 0 H ILE A 5 5.038 -4.520 5.216 1.00 0.10 H new ATOM 0 HA ILE A 5 5.237 -7.498 5.559 1.00 0.10 H new ATOM 0 HB ILE A 5 5.593 -5.862 3.030 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.396 -5.233 3.816 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.208 -6.359 2.487 1.00 0.12 H new ATOM 0 HG21 ILE A 5 4.981 -8.004 1.952 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.405 -8.184 3.003 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.814 -8.758 3.555 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.641 -6.904 4.325 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.816 -8.222 4.103 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.007 -7.078 5.452 1.00 0.19 H new ATOM 94 N GLU A 6 7.759 -7.236 5.816 1.00 0.11 N ATOM 95 CA GLU A 6 9.249 -7.124 5.862 1.00 0.14 C ATOM 96 C GLU A 6 9.885 -8.206 4.984 1.00 0.14 C ATOM 97 O GLU A 6 11.078 -8.210 4.760 1.00 0.17 O ATOM 98 CB GLU A 6 9.710 -7.306 7.305 1.00 0.18 C ATOM 99 CG GLU A 6 8.830 -6.468 8.232 1.00 0.31 C ATOM 100 CD GLU A 6 9.441 -6.447 9.633 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.349 -7.454 10.314 1.00 1.97 O ATOM 102 OE2 GLU A 6 9.992 -5.422 10.001 1.00 1.96 O ATOM 0 H GLU A 6 7.360 -7.961 6.412 1.00 0.11 H new ATOM 0 HA GLU A 6 9.553 -6.145 5.491 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.654 -8.358 7.586 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.753 -7.004 7.405 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.742 -5.452 7.847 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.823 -6.884 8.269 1.00 0.31 H new ATOM 109 N SER A 7 9.101 -9.126 4.483 1.00 0.13 N ATOM 110 CA SER A 7 9.674 -10.202 3.619 1.00 0.15 C ATOM 111 C SER A 7 8.613 -10.697 2.635 1.00 0.14 C ATOM 112 O SER A 7 7.427 -10.616 2.888 1.00 0.12 O ATOM 113 CB SER A 7 10.139 -11.365 4.493 1.00 0.20 C ATOM 114 OG SER A 7 9.123 -11.682 5.437 1.00 0.23 O ATOM 0 H SER A 7 8.094 -9.179 4.634 1.00 0.13 H new ATOM 0 HA SER A 7 10.522 -9.802 3.063 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.359 -12.234 3.874 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.061 -11.100 5.010 1.00 0.20 H new ATOM 0 HG SER A 7 9.419 -12.429 5.998 1.00 0.23 H new ATOM 120 N LYS A 8 9.034 -11.206 1.511 1.00 0.15 N ATOM 121 CA LYS A 8 8.060 -11.707 0.501 1.00 0.14 C ATOM 122 C LYS A 8 7.086 -12.689 1.162 1.00 0.14 C ATOM 123 O LYS A 8 5.973 -12.871 0.714 1.00 0.13 O ATOM 124 CB LYS A 8 8.822 -12.418 -0.623 1.00 0.17 C ATOM 125 CG LYS A 8 7.921 -12.549 -1.854 1.00 0.21 C ATOM 126 CD LYS A 8 8.652 -13.339 -2.942 1.00 0.22 C ATOM 127 CE LYS A 8 7.774 -13.424 -4.192 1.00 1.06 C ATOM 128 NZ LYS A 8 6.451 -14.011 -3.831 1.00 1.90 N ATOM 0 H LYS A 8 10.015 -11.297 1.247 1.00 0.15 H new ATOM 0 HA LYS A 8 7.497 -10.868 0.091 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.722 -11.857 -0.877 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.144 -13.404 -0.290 1.00 0.17 H new ATOM 0 HG2 LYS A 8 6.992 -13.053 -1.586 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.651 -11.561 -2.227 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.599 -12.856 -3.183 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.888 -14.340 -2.582 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.638 -12.432 -4.622 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.261 -14.037 -4.951 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 5.983 -14.366 -4.689 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 6.590 -14.796 -3.163 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 5.856 -13.281 -3.389 1.00 1.90 H new ATOM 142 N THR A 9 7.500 -13.330 2.220 1.00 0.16 N ATOM 143 CA THR A 9 6.602 -14.305 2.902 1.00 0.18 C ATOM 144 C THR A 9 5.333 -13.598 3.387 1.00 0.16 C ATOM 145 O THR A 9 4.230 -14.045 3.144 1.00 0.17 O ATOM 146 CB THR A 9 7.336 -14.916 4.092 1.00 0.21 C ATOM 147 OG1 THR A 9 8.654 -15.274 3.701 1.00 0.24 O ATOM 148 CG2 THR A 9 6.590 -16.160 4.579 1.00 0.25 C ATOM 0 H THR A 9 8.422 -13.221 2.642 1.00 0.16 H new ATOM 0 HA THR A 9 6.322 -15.091 2.200 1.00 0.18 H new ATOM 0 HB THR A 9 7.381 -14.187 4.901 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.127 -15.665 4.465 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.119 -16.592 5.429 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.580 -15.883 4.882 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.539 -16.892 3.773 1.00 0.25 H new ATOM 156 N ALA A 10 5.483 -12.501 4.076 1.00 0.16 N ATOM 157 CA ALA A 10 4.291 -11.763 4.585 1.00 0.17 C ATOM 158 C ALA A 10 3.536 -11.125 3.413 1.00 0.15 C ATOM 159 O ALA A 10 2.364 -10.820 3.513 1.00 0.17 O ATOM 160 CB ALA A 10 4.752 -10.676 5.561 1.00 0.20 C ATOM 0 H ALA A 10 6.383 -12.082 4.310 1.00 0.16 H new ATOM 0 HA ALA A 10 3.624 -12.455 5.099 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.885 -10.133 5.937 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.281 -11.137 6.395 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.419 -9.984 5.046 1.00 0.20 H new ATOM 166 N PHE A 11 4.194 -10.917 2.305 1.00 0.12 N ATOM 167 CA PHE A 11 3.503 -10.297 1.138 1.00 0.11 C ATOM 168 C PHE A 11 2.326 -11.170 0.708 1.00 0.13 C ATOM 169 O PHE A 11 1.185 -10.773 0.807 1.00 0.16 O ATOM 170 CB PHE A 11 4.482 -10.155 -0.030 1.00 0.10 C ATOM 171 CG PHE A 11 3.795 -9.460 -1.184 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.449 -8.099 -1.078 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.508 -10.166 -2.371 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.817 -7.445 -2.152 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.874 -9.512 -3.445 1.00 0.18 C ATOM 176 CZ PHE A 11 2.529 -8.151 -3.335 1.00 0.21 C ATOM 0 H PHE A 11 5.176 -11.148 2.157 1.00 0.12 H new ATOM 0 HA PHE A 11 3.137 -9.312 1.427 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.357 -9.585 0.283 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.836 -11.137 -0.342 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.669 -7.556 -0.171 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.775 -11.209 -2.456 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.553 -6.401 -2.068 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.652 -10.054 -4.353 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.043 -7.649 -4.159 1.00 0.21 H new ATOM 186 N GLN A 12 2.592 -12.350 0.225 1.00 0.15 N ATOM 187 CA GLN A 12 1.482 -13.236 -0.221 1.00 0.19 C ATOM 188 C GLN A 12 0.480 -13.422 0.919 1.00 0.17 C ATOM 189 O GLN A 12 -0.716 -13.341 0.724 1.00 0.16 O ATOM 190 CB GLN A 12 2.048 -14.598 -0.625 1.00 0.24 C ATOM 191 CG GLN A 12 3.036 -14.417 -1.779 1.00 1.21 C ATOM 192 CD GLN A 12 3.666 -15.765 -2.132 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.070 -15.983 -3.258 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.771 -16.686 -1.214 1.00 2.47 N ATOM 0 H GLN A 12 3.529 -12.739 0.120 1.00 0.15 H new ATOM 0 HA GLN A 12 0.979 -12.780 -1.074 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.547 -15.063 0.225 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.240 -15.265 -0.925 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.524 -14.005 -2.648 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.811 -13.704 -1.499 1.00 1.21 H new ATOM 0 HE21 GLN A 12 3.433 -16.505 -0.269 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.191 -17.587 -1.441 1.00 2.47 H new ATOM 203 N GLU A 13 0.955 -13.674 2.105 1.00 0.19 N ATOM 204 CA GLU A 13 0.024 -13.870 3.248 1.00 0.20 C ATOM 205 C GLU A 13 -0.839 -12.618 3.433 1.00 0.18 C ATOM 206 O GLU A 13 -1.999 -12.705 3.783 1.00 0.19 O ATOM 207 CB GLU A 13 0.837 -14.139 4.521 1.00 0.25 C ATOM 208 CG GLU A 13 1.290 -15.603 4.559 1.00 0.30 C ATOM 209 CD GLU A 13 1.942 -15.898 5.912 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.741 -15.087 6.352 1.00 2.03 O ATOM 211 OE2 GLU A 13 1.633 -16.930 6.483 1.00 2.10 O ATOM 0 H GLU A 13 1.946 -13.753 2.332 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.627 -14.721 3.048 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.705 -13.481 4.553 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.234 -13.914 5.401 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.437 -16.263 4.402 1.00 0.30 H new ATOM 0 HG3 GLU A 13 1.997 -15.798 3.752 1.00 0.30 H new ATOM 218 N ALA A 14 -0.291 -11.457 3.204 1.00 0.18 N ATOM 219 CA ALA A 14 -1.100 -10.218 3.373 1.00 0.18 C ATOM 220 C ALA A 14 -2.296 -10.266 2.417 1.00 0.18 C ATOM 221 O ALA A 14 -3.425 -10.034 2.800 1.00 0.19 O ATOM 222 CB ALA A 14 -0.235 -9.001 3.049 1.00 0.20 C ATOM 0 H ALA A 14 0.675 -11.313 2.909 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.456 -10.146 4.401 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.825 -8.092 3.172 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.620 -8.973 3.724 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.117 -9.069 2.020 1.00 0.20 H new ATOM 228 N LEU A 15 -2.047 -10.572 1.172 1.00 0.17 N ATOM 229 CA LEU A 15 -3.152 -10.649 0.170 1.00 0.18 C ATOM 230 C LEU A 15 -4.105 -11.787 0.543 1.00 0.18 C ATOM 231 O LEU A 15 -5.308 -11.668 0.419 1.00 0.18 O ATOM 232 CB LEU A 15 -2.556 -10.910 -1.220 1.00 0.19 C ATOM 233 CG LEU A 15 -1.291 -10.066 -1.406 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.784 -10.225 -2.841 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.617 -8.593 -1.145 1.00 0.62 C ATOM 0 H LEU A 15 -1.118 -10.774 0.802 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.703 -9.709 0.160 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.319 -11.968 -1.332 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.286 -10.664 -1.991 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.525 -10.399 -0.706 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.116 -9.626 -2.977 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.554 -11.273 -3.032 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.552 -9.889 -3.538 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.717 -7.992 -1.277 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.382 -8.260 -1.846 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.984 -8.477 -0.125 1.00 0.62 H new ATOM 247 N ASP A 16 -3.576 -12.892 0.992 1.00 0.19 N ATOM 248 CA ASP A 16 -4.452 -14.037 1.368 1.00 0.21 C ATOM 249 C ASP A 16 -5.341 -13.642 2.548 1.00 0.20 C ATOM 250 O ASP A 16 -6.518 -13.945 2.579 1.00 0.20 O ATOM 251 CB ASP A 16 -3.585 -15.235 1.761 1.00 0.24 C ATOM 252 CG ASP A 16 -4.461 -16.482 1.883 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.346 -16.643 1.059 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.232 -17.256 2.799 1.00 1.09 O ATOM 0 H ASP A 16 -2.576 -13.051 1.115 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.080 -14.304 0.518 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.808 -15.395 1.014 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.081 -15.038 2.707 1.00 0.24 H new ATOM 259 N ALA A 17 -4.791 -12.971 3.524 1.00 0.22 N ATOM 260 CA ALA A 17 -5.611 -12.563 4.700 1.00 0.24 C ATOM 261 C ALA A 17 -6.450 -11.337 4.340 1.00 0.21 C ATOM 262 O ALA A 17 -7.397 -10.999 5.023 1.00 0.22 O ATOM 263 CB ALA A 17 -4.687 -12.221 5.870 1.00 0.30 C ATOM 0 H ALA A 17 -3.811 -12.688 3.558 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.271 -13.383 4.983 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.285 -11.922 6.731 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -4.089 -13.095 6.129 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -4.027 -11.402 5.585 1.00 0.30 H new ATOM 269 N ALA A 18 -6.114 -10.666 3.272 1.00 0.21 N ATOM 270 CA ALA A 18 -6.897 -9.464 2.874 1.00 0.22 C ATOM 271 C ALA A 18 -8.289 -9.892 2.409 1.00 0.21 C ATOM 272 O ALA A 18 -9.156 -9.072 2.177 1.00 0.24 O ATOM 273 CB ALA A 18 -6.180 -8.743 1.731 1.00 0.23 C ATOM 0 H ALA A 18 -5.332 -10.898 2.659 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.989 -8.793 3.728 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.753 -7.863 1.440 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.187 -8.437 2.060 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.088 -9.415 0.878 1.00 0.23 H new ATOM 279 N GLY A 19 -8.512 -11.170 2.268 1.00 0.22 N ATOM 280 CA GLY A 19 -9.847 -11.643 1.812 1.00 0.24 C ATOM 281 C GLY A 19 -10.079 -11.180 0.373 1.00 0.20 C ATOM 282 O GLY A 19 -9.246 -11.376 -0.489 1.00 0.28 O ATOM 0 H GLY A 19 -7.828 -11.905 2.449 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.900 -12.730 1.870 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.628 -11.250 2.464 1.00 0.24 H new ATOM 286 N ASP A 20 -11.206 -10.564 0.111 1.00 0.13 N ATOM 287 CA ASP A 20 -11.511 -10.074 -1.272 1.00 0.18 C ATOM 288 C ASP A 20 -11.639 -8.548 -1.256 1.00 0.15 C ATOM 289 O ASP A 20 -11.985 -7.939 -2.248 1.00 0.22 O ATOM 290 CB ASP A 20 -12.831 -10.688 -1.745 1.00 0.26 C ATOM 291 CG ASP A 20 -12.819 -12.193 -1.476 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.738 -12.750 -1.383 1.00 2.21 O ATOM 293 OD2 ASP A 20 -13.892 -12.764 -1.366 1.00 2.19 O ATOM 0 H ASP A 20 -11.934 -10.378 0.801 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.707 -10.365 -1.948 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.668 -10.222 -1.225 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.971 -10.499 -2.809 1.00 0.26 H new ATOM 298 N LYS A 21 -11.360 -7.922 -0.143 1.00 0.12 N ATOM 299 CA LYS A 21 -11.464 -6.441 -0.082 1.00 0.19 C ATOM 300 C LYS A 21 -10.352 -5.824 -0.921 1.00 0.15 C ATOM 301 O LYS A 21 -9.424 -6.495 -1.327 1.00 0.15 O ATOM 302 CB LYS A 21 -11.326 -5.987 1.366 1.00 0.27 C ATOM 303 CG LYS A 21 -12.630 -6.280 2.107 1.00 0.29 C ATOM 304 CD LYS A 21 -12.431 -6.025 3.603 1.00 0.30 C ATOM 305 CE LYS A 21 -13.787 -5.844 4.287 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.495 -7.156 4.346 1.00 1.90 N ATOM 0 H LYS A 21 -11.066 -8.374 0.723 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.431 -6.122 -0.471 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.496 -6.506 1.846 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.102 -4.921 1.406 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.430 -5.648 1.722 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.932 -7.314 1.940 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.895 -6.860 4.055 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.818 -5.136 3.751 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -13.649 -5.448 5.293 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.388 -5.119 3.739 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.402 -7.039 4.841 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -14.670 -7.500 3.380 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.907 -7.845 4.858 1.00 1.90 H new ATOM 320 N LEU A 22 -10.437 -4.554 -1.188 1.00 0.13 N ATOM 321 CA LEU A 22 -9.379 -3.910 -2.006 1.00 0.11 C ATOM 322 C LEU A 22 -8.059 -3.961 -1.217 1.00 0.10 C ATOM 323 O LEU A 22 -8.056 -4.151 -0.018 1.00 0.11 O ATOM 324 CB LEU A 22 -9.793 -2.449 -2.300 1.00 0.12 C ATOM 325 CG LEU A 22 -9.580 -2.078 -3.783 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.988 -0.600 -3.997 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.109 -2.284 -4.186 1.00 0.11 C ATOM 0 H LEU A 22 -11.188 -3.938 -0.877 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.246 -4.429 -2.955 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.842 -2.309 -2.038 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.214 -1.774 -1.670 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.197 -2.724 -4.407 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.841 -0.330 -5.043 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -11.038 -0.470 -3.733 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.373 0.042 -3.366 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.978 -2.017 -5.235 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.471 -1.652 -3.569 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.835 -3.329 -4.040 1.00 0.11 H new ATOM 339 N VAL A 23 -6.938 -3.793 -1.875 1.00 0.08 N ATOM 340 CA VAL A 23 -5.630 -3.832 -1.152 1.00 0.09 C ATOM 341 C VAL A 23 -4.658 -2.839 -1.793 1.00 0.08 C ATOM 342 O VAL A 23 -4.148 -3.064 -2.873 1.00 0.09 O ATOM 343 CB VAL A 23 -5.041 -5.242 -1.242 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.890 -5.377 -0.247 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.124 -6.271 -0.914 1.00 0.10 C ATOM 0 H VAL A 23 -6.873 -3.631 -2.880 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.788 -3.564 -0.107 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.670 -5.417 -2.252 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.470 -6.381 -0.310 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.118 -4.645 -0.483 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.260 -5.202 0.763 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.704 -7.275 -0.978 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.497 -6.098 0.096 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.944 -6.175 -1.625 1.00 0.10 H new ATOM 355 N VAL A 24 -4.387 -1.744 -1.123 1.00 0.08 N ATOM 356 CA VAL A 24 -3.435 -0.726 -1.669 1.00 0.08 C ATOM 357 C VAL A 24 -2.113 -0.833 -0.903 1.00 0.08 C ATOM 358 O VAL A 24 -2.094 -0.890 0.311 1.00 0.08 O ATOM 359 CB VAL A 24 -4.033 0.675 -1.499 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.337 1.657 -2.446 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.528 0.631 -1.823 1.00 0.09 C ATOM 0 H VAL A 24 -4.788 -1.511 -0.215 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.258 -0.904 -2.730 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.888 1.005 -0.470 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.767 2.651 -2.320 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.272 1.691 -2.217 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.476 1.330 -3.476 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.956 1.626 -1.703 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.668 0.298 -2.851 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.027 -0.062 -1.146 1.00 0.09 H new ATOM 371 N VAL A 25 -1.010 -0.881 -1.608 1.00 0.09 N ATOM 372 CA VAL A 25 0.326 -1.006 -0.940 1.00 0.09 C ATOM 373 C VAL A 25 1.096 0.305 -1.076 1.00 0.10 C ATOM 374 O VAL A 25 1.089 0.935 -2.115 1.00 0.17 O ATOM 375 CB VAL A 25 1.126 -2.120 -1.625 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.271 -2.577 -0.715 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.203 -3.304 -1.919 1.00 0.09 C ATOM 0 H VAL A 25 -0.976 -0.839 -2.627 1.00 0.09 H new ATOM 0 HA VAL A 25 0.181 -1.238 0.115 1.00 0.09 H new ATOM 0 HB VAL A 25 1.542 -1.740 -2.558 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.835 -3.369 -1.209 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.932 -1.735 -0.511 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.862 -2.953 0.223 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.771 -4.096 -2.406 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.216 -3.679 -0.985 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.605 -2.981 -2.575 1.00 0.09 H new ATOM 387 N ASP A 26 1.774 0.709 -0.034 1.00 0.08 N ATOM 388 CA ASP A 26 2.570 1.970 -0.081 1.00 0.08 C ATOM 389 C ASP A 26 4.059 1.625 -0.050 1.00 0.08 C ATOM 390 O ASP A 26 4.615 1.324 0.988 1.00 0.09 O ATOM 391 CB ASP A 26 2.222 2.839 1.131 1.00 0.09 C ATOM 392 CG ASP A 26 3.140 4.062 1.165 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.361 4.641 0.115 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.607 4.399 2.240 1.00 0.93 O ATOM 0 H ASP A 26 1.810 0.213 0.857 1.00 0.08 H new ATOM 0 HA ASP A 26 2.339 2.516 -0.996 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.180 3.155 1.078 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.334 2.262 2.049 1.00 0.09 H new ATOM 399 N PHE A 27 4.713 1.675 -1.177 1.00 0.08 N ATOM 400 CA PHE A 27 6.168 1.365 -1.211 1.00 0.09 C ATOM 401 C PHE A 27 6.927 2.650 -0.886 1.00 0.11 C ATOM 402 O PHE A 27 7.349 3.365 -1.771 1.00 0.13 O ATOM 403 CB PHE A 27 6.557 0.900 -2.617 1.00 0.10 C ATOM 404 CG PHE A 27 6.130 -0.533 -2.845 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.809 -0.832 -3.235 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.065 -1.572 -2.687 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.427 -2.172 -3.461 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.685 -2.908 -2.916 1.00 0.21 C ATOM 409 CZ PHE A 27 5.366 -3.207 -3.302 1.00 0.23 C ATOM 0 H PHE A 27 4.301 1.918 -2.078 1.00 0.08 H new ATOM 0 HA PHE A 27 6.407 0.580 -0.493 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.091 1.546 -3.361 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.635 0.988 -2.749 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.090 -0.036 -3.361 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.078 -1.344 -2.389 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.414 -2.402 -3.756 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.406 -3.703 -2.795 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.074 -4.232 -3.476 1.00 0.23 H new ATOM 419 N SER A 28 7.081 2.957 0.378 1.00 0.11 N ATOM 420 CA SER A 28 7.800 4.208 0.783 1.00 0.12 C ATOM 421 C SER A 28 9.085 3.850 1.526 1.00 0.10 C ATOM 422 O SER A 28 9.181 2.816 2.158 1.00 0.11 O ATOM 423 CB SER A 28 6.903 5.020 1.709 1.00 0.17 C ATOM 424 OG SER A 28 5.807 5.540 0.967 1.00 1.03 O ATOM 0 H SER A 28 6.737 2.391 1.154 1.00 0.11 H new ATOM 0 HA SER A 28 8.045 4.787 -0.107 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.540 4.393 2.524 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.470 5.834 2.161 1.00 0.17 H new ATOM 0 HG SER A 28 5.155 5.937 1.581 1.00 1.03 H new ATOM 430 N ALA A 29 10.069 4.707 1.474 1.00 0.10 N ATOM 431 CA ALA A 29 11.344 4.432 2.199 1.00 0.15 C ATOM 432 C ALA A 29 11.270 5.090 3.585 1.00 0.18 C ATOM 433 O ALA A 29 10.900 6.240 3.719 1.00 0.26 O ATOM 434 CB ALA A 29 12.513 5.006 1.386 1.00 0.19 C ATOM 0 H ALA A 29 10.045 5.588 0.960 1.00 0.10 H new ATOM 0 HA ALA A 29 11.497 3.360 2.322 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.450 4.810 1.908 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.539 4.534 0.404 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.381 6.082 1.269 1.00 0.19 H new ATOM 440 N THR A 30 11.594 4.359 4.617 1.00 0.18 N ATOM 441 CA THR A 30 11.519 4.923 5.999 1.00 0.23 C ATOM 442 C THR A 30 12.569 6.023 6.205 1.00 0.26 C ATOM 443 O THR A 30 12.370 6.939 6.980 1.00 0.31 O ATOM 444 CB THR A 30 11.764 3.801 7.010 1.00 0.26 C ATOM 445 OG1 THR A 30 11.691 4.330 8.328 1.00 0.32 O ATOM 446 CG2 THR A 30 13.150 3.196 6.777 1.00 0.28 C ATOM 0 H THR A 30 11.909 3.390 4.564 1.00 0.18 H new ATOM 0 HA THR A 30 10.530 5.358 6.142 1.00 0.23 H new ATOM 0 HB THR A 30 11.007 3.027 6.886 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.846 3.613 8.977 1.00 0.32 H new ATOM 0 HG21 THR A 30 13.324 2.397 7.498 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.205 2.792 5.766 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.909 3.968 6.901 1.00 0.28 H new ATOM 454 N TRP A 31 13.691 5.934 5.546 1.00 0.26 N ATOM 455 CA TRP A 31 14.756 6.967 5.737 1.00 0.32 C ATOM 456 C TRP A 31 14.544 8.142 4.784 1.00 0.32 C ATOM 457 O TRP A 31 15.249 9.130 4.842 1.00 0.36 O ATOM 458 CB TRP A 31 16.115 6.336 5.444 1.00 0.34 C ATOM 459 CG TRP A 31 16.175 5.918 4.012 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.795 4.709 3.542 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.628 6.684 2.862 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.997 4.677 2.173 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.506 5.871 1.703 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.132 7.996 2.709 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.872 6.343 0.435 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.502 8.476 1.436 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.372 7.650 0.300 1.00 0.40 C ATOM 0 H TRP A 31 13.919 5.193 4.884 1.00 0.26 H new ATOM 0 HA TRP A 31 14.713 7.331 6.763 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.912 7.048 5.659 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.274 5.474 6.092 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.398 3.900 4.137 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.794 3.870 1.583 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.234 8.635 3.574 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.771 5.707 -0.432 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.886 9.480 1.330 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.657 8.022 -0.673 1.00 0.40 H new ATOM 478 N CYS A 32 13.595 8.038 3.899 1.00 0.28 N ATOM 479 CA CYS A 32 13.348 9.141 2.925 1.00 0.30 C ATOM 480 C CYS A 32 12.190 10.017 3.419 1.00 0.31 C ATOM 481 O CYS A 32 11.158 9.531 3.838 1.00 0.29 O ATOM 482 CB CYS A 32 13.025 8.509 1.570 1.00 0.28 C ATOM 483 SG CYS A 32 13.571 9.603 0.234 1.00 0.32 S ATOM 0 H CYS A 32 12.975 7.233 3.806 1.00 0.28 H new ATOM 0 HA CYS A 32 14.227 9.779 2.827 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.518 7.541 1.484 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.953 8.329 1.489 1.00 0.28 H new ATOM 488 N GLY A 33 12.374 11.307 3.386 1.00 0.34 N ATOM 489 CA GLY A 33 11.318 12.245 3.865 1.00 0.36 C ATOM 490 C GLY A 33 10.153 12.362 2.865 1.00 0.35 C ATOM 491 O GLY A 33 9.017 12.190 3.249 1.00 0.33 O ATOM 0 H GLY A 33 13.222 11.758 3.043 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.937 11.901 4.827 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.755 13.230 4.029 1.00 0.36 H new ATOM 495 N PRO A 34 10.448 12.684 1.621 1.00 0.37 N ATOM 496 CA PRO A 34 9.395 12.862 0.602 1.00 0.38 C ATOM 497 C PRO A 34 8.414 11.680 0.590 1.00 0.35 C ATOM 498 O PRO A 34 7.221 11.860 0.443 1.00 0.36 O ATOM 499 CB PRO A 34 10.164 12.989 -0.735 1.00 0.42 C ATOM 500 CG PRO A 34 11.655 13.240 -0.373 1.00 0.44 C ATOM 501 CD PRO A 34 11.828 12.889 1.123 1.00 0.40 C ATOM 0 HA PRO A 34 8.776 13.737 0.798 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.058 12.082 -1.330 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.768 13.810 -1.333 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.310 12.625 -0.991 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.926 14.279 -0.558 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.433 11.992 1.252 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.329 13.692 1.663 1.00 0.40 H new ATOM 509 N ALA A 35 8.888 10.481 0.746 1.00 0.33 N ATOM 510 CA ALA A 35 7.952 9.322 0.738 1.00 0.32 C ATOM 511 C ALA A 35 7.191 9.287 2.065 1.00 0.39 C ATOM 512 O ALA A 35 5.977 9.293 2.102 1.00 0.81 O ATOM 513 CB ALA A 35 8.747 8.027 0.567 1.00 0.36 C ATOM 0 H ALA A 35 9.873 10.251 0.878 1.00 0.33 H new ATOM 0 HA ALA A 35 7.246 9.422 -0.087 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.063 7.178 0.561 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.295 8.058 -0.375 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.451 7.920 1.393 1.00 0.36 H new ATOM 519 N LYS A 36 7.904 9.253 3.152 1.00 0.30 N ATOM 520 CA LYS A 36 7.251 9.222 4.491 1.00 0.28 C ATOM 521 C LYS A 36 6.390 10.472 4.690 1.00 0.24 C ATOM 522 O LYS A 36 5.506 10.503 5.524 1.00 0.25 O ATOM 523 CB LYS A 36 8.349 9.183 5.557 1.00 0.35 C ATOM 524 CG LYS A 36 7.739 8.911 6.932 1.00 0.38 C ATOM 525 CD LYS A 36 8.844 8.965 7.990 1.00 0.49 C ATOM 526 CE LYS A 36 8.237 8.784 9.381 1.00 1.22 C ATOM 527 NZ LYS A 36 7.307 9.913 9.667 1.00 1.92 N ATOM 0 H LYS A 36 8.924 9.245 3.172 1.00 0.30 H new ATOM 0 HA LYS A 36 6.610 8.344 4.569 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.075 8.408 5.313 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.887 10.131 5.571 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.969 9.650 7.155 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.256 7.934 6.942 1.00 0.38 H new ATOM 0 HD2 LYS A 36 9.581 8.184 7.800 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.368 9.919 7.933 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.703 7.836 9.436 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.026 8.749 10.132 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 7.052 9.906 10.675 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 7.772 10.814 9.434 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 6.447 9.809 9.091 1.00 1.92 H new ATOM 541 N MET A 37 6.650 11.507 3.945 1.00 0.23 N ATOM 542 CA MET A 37 5.862 12.761 4.104 1.00 0.24 C ATOM 543 C MET A 37 4.375 12.501 3.831 1.00 0.20 C ATOM 544 O MET A 37 3.521 13.253 4.259 1.00 0.20 O ATOM 545 CB MET A 37 6.391 13.818 3.123 1.00 0.29 C ATOM 546 CG MET A 37 5.686 15.162 3.350 1.00 1.31 C ATOM 547 SD MET A 37 6.067 15.785 5.008 1.00 2.12 S ATOM 548 CE MET A 37 4.746 17.019 5.096 1.00 3.13 C ATOM 0 H MET A 37 7.377 11.540 3.230 1.00 0.23 H new ATOM 0 HA MET A 37 5.968 13.119 5.128 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.466 13.938 3.254 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.230 13.484 2.098 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.008 15.883 2.598 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.609 15.041 3.236 1.00 1.31 H new ATOM 0 HE1 MET A 37 4.793 17.535 6.055 1.00 3.13 H new ATOM 0 HE2 MET A 37 4.869 17.742 4.289 1.00 3.13 H new ATOM 0 HE3 MET A 37 3.779 16.525 4.997 1.00 3.13 H new ATOM 558 N ILE A 38 4.053 11.457 3.109 1.00 0.18 N ATOM 559 CA ILE A 38 2.614 11.178 2.792 1.00 0.15 C ATOM 560 C ILE A 38 2.008 10.161 3.762 1.00 0.16 C ATOM 561 O ILE A 38 0.941 9.634 3.522 1.00 0.16 O ATOM 562 CB ILE A 38 2.508 10.649 1.355 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.051 11.725 0.399 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.034 10.336 1.009 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.289 11.135 -1.012 1.00 0.28 C ATOM 0 H ILE A 38 4.720 10.787 2.726 1.00 0.18 H new ATOM 0 HA ILE A 38 2.055 12.108 2.895 1.00 0.15 H new ATOM 0 HB ILE A 38 3.087 9.731 1.256 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.345 12.553 0.338 1.00 0.17 H new ATOM 0 HG13 ILE A 38 3.984 12.130 0.791 1.00 0.17 H new ATOM 0 HG21 ILE A 38 0.972 9.962 -0.013 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.651 9.581 1.696 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.438 11.244 1.099 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.673 11.913 -1.672 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.013 10.323 -0.949 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.349 10.753 -1.410 1.00 0.28 H new ATOM 577 N LYS A 39 2.645 9.875 4.866 1.00 0.19 N ATOM 578 CA LYS A 39 2.025 8.889 5.793 1.00 0.22 C ATOM 579 C LYS A 39 0.731 9.409 6.443 1.00 0.20 C ATOM 580 O LYS A 39 -0.129 8.614 6.739 1.00 0.21 O ATOM 581 CB LYS A 39 3.006 8.387 6.890 1.00 0.31 C ATOM 582 CG LYS A 39 3.168 9.386 8.067 1.00 0.34 C ATOM 583 CD LYS A 39 3.625 8.641 9.330 1.00 0.45 C ATOM 584 CE LYS A 39 4.863 7.796 9.032 1.00 1.16 C ATOM 585 NZ LYS A 39 4.449 6.470 8.491 1.00 1.62 N ATOM 0 H LYS A 39 3.540 10.268 5.159 1.00 0.19 H new ATOM 0 HA LYS A 39 1.766 8.040 5.160 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.650 7.433 7.278 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.982 8.204 6.440 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.895 10.154 7.805 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.222 9.894 8.257 1.00 0.34 H new ATOM 0 HD2 LYS A 39 3.847 9.357 10.122 1.00 0.45 H new ATOM 0 HD3 LYS A 39 2.820 8.002 9.694 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.501 8.310 8.313 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.450 7.662 9.940 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 5.010 5.720 8.943 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.440 6.314 8.688 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.608 6.449 7.463 1.00 1.62 H new ATOM 599 N PRO A 40 0.609 10.692 6.719 1.00 0.20 N ATOM 600 CA PRO A 40 -0.593 11.165 7.415 1.00 0.21 C ATOM 601 C PRO A 40 -1.841 10.940 6.554 1.00 0.17 C ATOM 602 O PRO A 40 -2.954 11.110 7.011 1.00 0.20 O ATOM 603 CB PRO A 40 -0.337 12.660 7.693 1.00 0.24 C ATOM 604 CG PRO A 40 1.092 12.990 7.168 1.00 0.25 C ATOM 605 CD PRO A 40 1.578 11.761 6.374 1.00 0.21 C ATOM 0 HA PRO A 40 -0.778 10.623 8.342 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -1.083 13.277 7.192 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.413 12.871 8.760 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.074 13.876 6.534 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.767 13.205 7.997 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.587 11.959 5.302 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.594 11.483 6.655 1.00 0.21 H new ATOM 613 N PHE A 41 -1.663 10.560 5.315 1.00 0.14 N ATOM 614 CA PHE A 41 -2.835 10.320 4.417 1.00 0.14 C ATOM 615 C PHE A 41 -3.017 8.820 4.199 1.00 0.11 C ATOM 616 O PHE A 41 -3.954 8.229 4.690 1.00 0.13 O ATOM 617 CB PHE A 41 -2.586 11.011 3.078 1.00 0.15 C ATOM 618 CG PHE A 41 -2.841 12.486 3.241 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.814 13.330 3.703 1.00 0.19 C ATOM 620 CD2 PHE A 41 -4.112 13.010 2.946 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.059 14.708 3.867 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.359 14.387 3.111 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.333 15.236 3.571 1.00 0.27 C ATOM 0 H PHE A 41 -0.752 10.405 4.884 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.738 10.724 4.875 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.561 10.839 2.749 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.241 10.597 2.311 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.840 12.923 3.931 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.897 12.358 2.594 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.272 15.359 4.219 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.334 14.792 2.885 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.522 16.292 3.697 1.00 0.27 H new ATOM 633 N PHE A 42 -2.134 8.204 3.466 1.00 0.10 N ATOM 634 CA PHE A 42 -2.260 6.741 3.201 1.00 0.11 C ATOM 635 C PHE A 42 -2.636 5.990 4.488 1.00 0.11 C ATOM 636 O PHE A 42 -3.597 5.247 4.522 1.00 0.12 O ATOM 637 CB PHE A 42 -0.926 6.214 2.666 1.00 0.13 C ATOM 638 CG PHE A 42 -1.011 4.722 2.464 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.740 4.208 1.380 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.354 3.845 3.350 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.817 2.822 1.177 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.431 2.453 3.148 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.164 1.941 2.060 1.00 0.10 C ATOM 0 H PHE A 42 -1.325 8.652 3.036 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.047 6.578 2.465 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.682 6.705 1.724 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.124 6.451 3.365 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.243 4.881 0.701 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.208 4.240 4.183 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.378 2.430 0.342 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.071 1.779 3.827 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.225 0.874 1.903 1.00 0.10 H new ATOM 653 N HIS A 43 -1.892 6.176 5.541 1.00 0.14 N ATOM 654 CA HIS A 43 -2.213 5.470 6.819 1.00 0.16 C ATOM 655 C HIS A 43 -3.525 6.016 7.407 1.00 0.16 C ATOM 656 O HIS A 43 -4.282 5.292 8.022 1.00 0.18 O ATOM 657 CB HIS A 43 -1.038 5.655 7.808 1.00 0.21 C ATOM 658 CG HIS A 43 -1.513 5.580 9.237 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.425 4.421 9.990 1.00 0.35 N ATOM 660 CD2 HIS A 43 -2.105 6.516 10.051 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.955 4.682 11.199 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.385 5.944 11.289 1.00 0.39 N ATOM 0 H HIS A 43 -1.075 6.786 5.576 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.349 4.405 6.631 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.286 4.887 7.631 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.558 6.618 7.631 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.320 7.537 9.773 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -2.024 3.960 11.999 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.824 6.392 12.093 1.00 0.39 H new ATOM 670 N SER A 44 -3.796 7.280 7.240 1.00 0.20 N ATOM 671 CA SER A 44 -5.052 7.848 7.812 1.00 0.25 C ATOM 672 C SER A 44 -6.275 7.152 7.205 1.00 0.20 C ATOM 673 O SER A 44 -7.236 6.868 7.892 1.00 0.21 O ATOM 674 CB SER A 44 -5.120 9.342 7.514 1.00 0.34 C ATOM 675 OG SER A 44 -6.474 9.772 7.573 1.00 0.97 O ATOM 0 H SER A 44 -3.207 7.943 6.735 1.00 0.20 H new ATOM 0 HA SER A 44 -5.051 7.688 8.890 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.519 9.896 8.235 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.704 9.547 6.528 1.00 0.34 H new ATOM 0 HG SER A 44 -6.521 10.732 7.383 1.00 0.97 H new ATOM 681 N LEU A 45 -6.258 6.876 5.928 1.00 0.18 N ATOM 682 CA LEU A 45 -7.434 6.203 5.301 1.00 0.18 C ATOM 683 C LEU A 45 -7.793 4.953 6.109 1.00 0.16 C ATOM 684 O LEU A 45 -8.888 4.440 6.019 1.00 0.23 O ATOM 685 CB LEU A 45 -7.096 5.794 3.862 1.00 0.19 C ATOM 686 CG LEU A 45 -6.627 7.014 3.060 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.195 6.562 1.662 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.770 8.037 2.941 1.00 0.50 C ATOM 0 H LEU A 45 -5.486 7.086 5.295 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.278 6.893 5.291 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.317 5.032 3.867 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.972 5.352 3.387 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.786 7.481 3.573 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.861 7.426 1.087 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.379 5.845 1.748 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.038 6.093 1.155 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.428 8.900 2.370 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.618 7.578 2.432 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -8.075 8.359 3.937 1.00 0.50 H new ATOM 700 N SER A 46 -6.880 4.460 6.898 1.00 0.20 N ATOM 701 CA SER A 46 -7.177 3.246 7.708 1.00 0.25 C ATOM 702 C SER A 46 -8.383 3.508 8.612 1.00 0.17 C ATOM 703 O SER A 46 -9.117 2.605 8.961 1.00 0.15 O ATOM 704 CB SER A 46 -5.963 2.900 8.573 1.00 0.36 C ATOM 705 OG SER A 46 -4.841 2.661 7.733 1.00 0.51 O ATOM 0 H SER A 46 -5.943 4.844 7.017 1.00 0.20 H new ATOM 0 HA SER A 46 -7.400 2.415 7.039 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.748 3.717 9.262 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.173 2.018 9.179 1.00 0.36 H new ATOM 0 HG SER A 46 -4.337 3.493 7.616 1.00 0.51 H new ATOM 711 N GLU A 47 -8.592 4.739 9.005 1.00 0.21 N ATOM 712 CA GLU A 47 -9.746 5.062 9.901 1.00 0.21 C ATOM 713 C GLU A 47 -10.946 5.528 9.073 1.00 0.18 C ATOM 714 O GLU A 47 -12.077 5.447 9.510 1.00 0.18 O ATOM 715 CB GLU A 47 -9.335 6.176 10.867 1.00 0.32 C ATOM 716 CG GLU A 47 -7.938 5.884 11.418 1.00 0.39 C ATOM 717 CD GLU A 47 -7.589 6.908 12.500 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.991 8.051 12.358 1.00 2.00 O ATOM 719 OE2 GLU A 47 -6.928 6.531 13.454 1.00 1.98 O ATOM 0 H GLU A 47 -8.012 5.537 8.744 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.026 4.168 10.458 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.341 7.138 10.354 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.053 6.246 11.684 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.903 4.876 11.832 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.203 5.925 10.614 1.00 0.39 H new ATOM 726 N LYS A 48 -10.717 6.015 7.883 1.00 0.18 N ATOM 727 CA LYS A 48 -11.855 6.485 7.036 1.00 0.17 C ATOM 728 C LYS A 48 -12.352 5.328 6.168 1.00 0.15 C ATOM 729 O LYS A 48 -13.464 5.340 5.678 1.00 0.18 O ATOM 730 CB LYS A 48 -11.378 7.634 6.139 1.00 0.21 C ATOM 731 CG LYS A 48 -12.587 8.400 5.596 1.00 0.26 C ATOM 732 CD LYS A 48 -12.107 9.590 4.762 1.00 1.09 C ATOM 733 CE LYS A 48 -13.299 10.231 4.050 1.00 1.51 C ATOM 734 NZ LYS A 48 -14.210 10.844 5.057 1.00 2.16 N ATOM 0 H LYS A 48 -9.794 6.108 7.460 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.668 6.835 7.673 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.733 8.307 6.705 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.783 7.242 5.314 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -13.204 7.741 4.986 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.210 8.748 6.420 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.617 10.322 5.403 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.368 9.261 4.031 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -12.952 10.990 3.349 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.835 9.481 3.468 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -14.926 11.422 4.572 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -14.682 10.093 5.601 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.659 11.445 5.703 1.00 2.16 H new ATOM 748 N TYR A 49 -11.531 4.325 5.977 1.00 0.13 N ATOM 749 CA TYR A 49 -11.937 3.151 5.144 1.00 0.13 C ATOM 750 C TYR A 49 -11.525 1.860 5.852 1.00 0.11 C ATOM 751 O TYR A 49 -10.645 1.149 5.409 1.00 0.11 O ATOM 752 CB TYR A 49 -11.244 3.234 3.776 1.00 0.15 C ATOM 753 CG TYR A 49 -11.991 4.211 2.900 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.256 3.864 2.394 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.431 5.468 2.600 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.965 4.769 1.586 1.00 0.21 C ATOM 757 CE2 TYR A 49 -12.139 6.377 1.792 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.407 6.028 1.283 1.00 0.21 C ATOM 759 OH TYR A 49 -14.103 6.920 0.492 1.00 0.24 O ATOM 0 H TYR A 49 -10.590 4.269 6.366 1.00 0.13 H new ATOM 0 HA TYR A 49 -13.018 3.157 5.003 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.209 3.554 3.898 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.220 2.251 3.307 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.684 2.900 2.627 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.459 5.734 2.990 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.936 4.501 1.197 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.711 7.342 1.562 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.577 7.739 0.382 1.00 0.24 H new ATOM 769 N SER A 50 -12.159 1.550 6.947 1.00 0.12 N ATOM 770 CA SER A 50 -11.811 0.303 7.679 1.00 0.13 C ATOM 771 C SER A 50 -12.217 -0.905 6.834 1.00 0.13 C ATOM 772 O SER A 50 -11.946 -2.038 7.177 1.00 0.14 O ATOM 773 CB SER A 50 -12.559 0.268 9.011 1.00 0.16 C ATOM 774 OG SER A 50 -13.956 0.191 8.762 1.00 0.17 O ATOM 0 H SER A 50 -12.903 2.107 7.367 1.00 0.12 H new ATOM 0 HA SER A 50 -10.738 0.275 7.867 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.235 -0.589 9.601 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.330 1.160 9.594 1.00 0.16 H new ATOM 0 HG SER A 50 -14.439 0.167 9.614 1.00 0.17 H new ATOM 780 N ASN A 51 -12.873 -0.667 5.727 1.00 0.13 N ATOM 781 CA ASN A 51 -13.311 -1.791 4.848 1.00 0.15 C ATOM 782 C ASN A 51 -12.269 -2.021 3.753 1.00 0.13 C ATOM 783 O ASN A 51 -12.425 -2.881 2.907 1.00 0.14 O ATOM 784 CB ASN A 51 -14.654 -1.433 4.211 1.00 0.17 C ATOM 785 CG ASN A 51 -15.206 -2.646 3.460 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.032 -3.371 3.978 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.780 -2.901 2.253 1.00 0.32 N ATOM 0 H ASN A 51 -13.125 0.263 5.393 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.416 -2.701 5.439 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.359 -1.117 4.979 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.531 -0.594 3.526 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.141 -3.709 1.745 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.087 -2.293 1.818 1.00 0.32 H new ATOM 794 N VAL A 52 -11.202 -1.264 3.773 1.00 0.11 N ATOM 795 CA VAL A 52 -10.123 -1.424 2.747 1.00 0.10 C ATOM 796 C VAL A 52 -8.852 -1.901 3.447 1.00 0.10 C ATOM 797 O VAL A 52 -8.604 -1.578 4.591 1.00 0.11 O ATOM 798 CB VAL A 52 -9.851 -0.076 2.083 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.680 -0.210 1.106 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.101 0.377 1.325 1.00 0.12 C ATOM 0 H VAL A 52 -11.029 -0.533 4.463 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.432 -2.146 1.991 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.600 0.661 2.846 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.488 0.753 0.634 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.790 -0.533 1.647 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.927 -0.946 0.341 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.910 1.339 0.850 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.352 -0.361 0.563 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.933 0.476 2.022 1.00 0.12 H new ATOM 810 N ILE A 53 -8.053 -2.683 2.774 1.00 0.09 N ATOM 811 CA ILE A 53 -6.799 -3.206 3.397 1.00 0.09 C ATOM 812 C ILE A 53 -5.602 -2.367 2.926 1.00 0.09 C ATOM 813 O ILE A 53 -5.393 -2.180 1.743 1.00 0.14 O ATOM 814 CB ILE A 53 -6.599 -4.657 2.956 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.926 -5.439 3.069 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.500 -5.319 3.798 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.612 -5.225 4.430 1.00 0.17 C ATOM 0 H ILE A 53 -8.214 -2.985 1.813 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.875 -3.150 4.483 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.285 -4.669 1.912 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.599 -5.126 2.271 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.733 -6.502 2.924 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.366 -6.351 3.475 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.565 -4.774 3.668 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.787 -5.302 4.849 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.541 -5.794 4.463 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -7.951 -5.563 5.228 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.831 -4.166 4.565 1.00 0.17 H new ATOM 829 N PHE A 54 -4.812 -1.868 3.846 1.00 0.08 N ATOM 830 CA PHE A 54 -3.615 -1.044 3.475 1.00 0.08 C ATOM 831 C PHE A 54 -2.346 -1.787 3.895 1.00 0.08 C ATOM 832 O PHE A 54 -2.240 -2.269 5.003 1.00 0.11 O ATOM 833 CB PHE A 54 -3.676 0.298 4.207 1.00 0.08 C ATOM 834 CG PHE A 54 -4.872 1.079 3.720 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.880 1.602 2.413 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.978 1.283 4.567 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.994 2.330 1.953 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.092 2.011 4.107 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.100 2.534 2.800 1.00 0.09 C ATOM 0 H PHE A 54 -4.946 -1.997 4.849 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.606 -0.874 2.398 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.747 0.136 5.282 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.761 0.864 4.030 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.032 1.445 1.763 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.972 0.881 5.569 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.000 2.732 0.951 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.940 2.168 4.757 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.955 3.092 2.447 1.00 0.09 H new ATOM 849 N LEU A 55 -1.383 -1.883 3.014 1.00 0.08 N ATOM 850 CA LEU A 55 -0.105 -2.594 3.341 1.00 0.09 C ATOM 851 C LEU A 55 1.042 -1.578 3.340 1.00 0.09 C ATOM 852 O LEU A 55 0.881 -0.444 2.933 1.00 0.10 O ATOM 853 CB LEU A 55 0.176 -3.669 2.273 1.00 0.10 C ATOM 854 CG LEU A 55 -0.619 -4.952 2.560 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.113 -4.634 2.736 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.426 -5.920 1.384 1.00 0.12 C ATOM 0 H LEU A 55 -1.426 -1.496 2.071 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.189 -3.066 4.320 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.089 -3.286 1.288 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.242 -3.895 2.251 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.257 -5.405 3.483 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.660 -5.555 2.938 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.242 -3.944 3.570 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.498 -4.177 1.824 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.984 -6.837 1.572 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.789 -5.456 0.467 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.633 -6.156 1.277 1.00 0.12 H new ATOM 868 N GLU A 56 2.203 -1.984 3.778 1.00 0.09 N ATOM 869 CA GLU A 56 3.378 -1.061 3.796 1.00 0.09 C ATOM 870 C GLU A 56 4.622 -1.877 3.447 1.00 0.09 C ATOM 871 O GLU A 56 4.719 -3.041 3.782 1.00 0.10 O ATOM 872 CB GLU A 56 3.526 -0.436 5.191 1.00 0.09 C ATOM 873 CG GLU A 56 4.407 0.818 5.111 1.00 0.11 C ATOM 874 CD GLU A 56 4.364 1.561 6.449 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.442 2.335 6.647 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.255 1.344 7.253 1.00 1.24 O ATOM 0 H GLU A 56 2.391 -2.924 4.128 1.00 0.09 H new ATOM 0 HA GLU A 56 3.244 -0.256 3.074 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.545 -0.177 5.589 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.968 -1.158 5.878 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.433 0.539 4.871 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.058 1.470 4.310 1.00 0.11 H new ATOM 883 N VAL A 57 5.568 -1.291 2.756 1.00 0.08 N ATOM 884 CA VAL A 57 6.796 -2.052 2.363 1.00 0.08 C ATOM 885 C VAL A 57 8.042 -1.176 2.528 1.00 0.09 C ATOM 886 O VAL A 57 8.050 -0.006 2.185 1.00 0.14 O ATOM 887 CB VAL A 57 6.671 -2.482 0.892 1.00 0.09 C ATOM 888 CG1 VAL A 57 8.003 -3.069 0.410 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.581 -3.547 0.757 1.00 0.09 C ATOM 0 H VAL A 57 5.544 -0.319 2.447 1.00 0.08 H new ATOM 0 HA VAL A 57 6.893 -2.928 3.005 1.00 0.08 H new ATOM 0 HB VAL A 57 6.412 -1.612 0.289 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.911 -3.373 -0.633 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.786 -2.317 0.501 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.260 -3.936 1.019 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.495 -3.849 -0.287 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.841 -4.413 1.366 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.629 -3.138 1.096 1.00 0.09 H new ATOM 899 N ASP A 58 9.107 -1.756 3.029 1.00 0.09 N ATOM 900 CA ASP A 58 10.385 -1.004 3.203 1.00 0.09 C ATOM 901 C ASP A 58 11.284 -1.320 2.005 1.00 0.10 C ATOM 902 O ASP A 58 12.043 -2.268 2.012 1.00 0.11 O ATOM 903 CB ASP A 58 11.070 -1.453 4.500 1.00 0.11 C ATOM 904 CG ASP A 58 12.125 -0.423 4.910 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.767 0.520 5.597 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.271 -0.594 4.530 1.00 1.06 O ATOM 0 H ASP A 58 9.143 -2.731 3.328 1.00 0.09 H new ATOM 0 HA ASP A 58 10.195 0.068 3.260 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.331 -1.566 5.293 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.536 -2.428 4.358 1.00 0.11 H new ATOM 911 N VAL A 59 11.173 -0.545 0.969 1.00 0.12 N ATOM 912 CA VAL A 59 11.978 -0.787 -0.261 1.00 0.15 C ATOM 913 C VAL A 59 13.475 -0.877 0.051 1.00 0.18 C ATOM 914 O VAL A 59 14.270 -1.174 -0.819 1.00 0.27 O ATOM 915 CB VAL A 59 11.721 0.365 -1.231 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.237 0.349 -1.666 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.048 1.696 -0.536 1.00 0.22 C ATOM 0 H VAL A 59 10.549 0.260 0.918 1.00 0.12 H new ATOM 0 HA VAL A 59 11.680 -1.739 -0.699 1.00 0.15 H new ATOM 0 HB VAL A 59 12.353 0.254 -2.112 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.052 1.170 -2.358 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.012 -0.597 -2.158 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.600 0.463 -0.789 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.866 2.521 -1.225 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.415 1.812 0.344 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.095 1.701 -0.233 1.00 0.22 H new ATOM 927 N ASP A 60 13.874 -0.618 1.272 1.00 0.16 N ATOM 928 CA ASP A 60 15.333 -0.683 1.621 1.00 0.18 C ATOM 929 C ASP A 60 15.636 -1.951 2.425 1.00 0.17 C ATOM 930 O ASP A 60 16.690 -2.537 2.288 1.00 0.18 O ATOM 931 CB ASP A 60 15.713 0.545 2.445 1.00 0.21 C ATOM 932 CG ASP A 60 15.291 1.811 1.697 1.00 0.24 C ATOM 933 OD1 ASP A 60 15.638 1.931 0.534 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.627 2.638 2.300 1.00 1.08 O ATOM 0 H ASP A 60 13.256 -0.365 2.043 1.00 0.16 H new ATOM 0 HA ASP A 60 15.914 -0.705 0.699 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.227 0.507 3.420 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.788 0.557 2.625 1.00 0.21 H new ATOM 939 N ASP A 61 14.727 -2.380 3.265 1.00 0.17 N ATOM 940 CA ASP A 61 14.968 -3.612 4.084 1.00 0.17 C ATOM 941 C ASP A 61 14.240 -4.816 3.455 1.00 0.16 C ATOM 942 O ASP A 61 14.442 -5.943 3.862 1.00 0.18 O ATOM 943 CB ASP A 61 14.467 -3.356 5.517 1.00 0.19 C ATOM 944 CG ASP A 61 14.215 -4.680 6.250 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.159 -5.438 6.406 1.00 1.12 O ATOM 946 OD2 ASP A 61 13.082 -4.914 6.638 1.00 1.07 O ATOM 0 H ASP A 61 13.825 -1.930 3.420 1.00 0.17 H new ATOM 0 HA ASP A 61 16.033 -3.842 4.110 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.202 -2.766 6.064 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.548 -2.771 5.487 1.00 0.19 H new ATOM 951 N ALA A 62 13.399 -4.588 2.471 1.00 0.16 N ATOM 952 CA ALA A 62 12.658 -5.721 1.812 1.00 0.16 C ATOM 953 C ALA A 62 12.890 -5.670 0.300 1.00 0.16 C ATOM 954 O ALA A 62 11.960 -5.637 -0.483 1.00 0.15 O ATOM 955 CB ALA A 62 11.161 -5.594 2.100 1.00 0.17 C ATOM 0 H ALA A 62 13.192 -3.664 2.093 1.00 0.16 H new ATOM 0 HA ALA A 62 13.023 -6.669 2.207 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.627 -6.415 1.622 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.993 -5.630 3.176 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.794 -4.646 1.707 1.00 0.17 H new ATOM 961 N GLN A 63 14.125 -5.658 -0.115 1.00 0.20 N ATOM 962 CA GLN A 63 14.433 -5.604 -1.576 1.00 0.22 C ATOM 963 C GLN A 63 13.731 -6.750 -2.312 1.00 0.20 C ATOM 964 O GLN A 63 13.641 -6.749 -3.523 1.00 0.20 O ATOM 965 CB GLN A 63 15.947 -5.738 -1.782 1.00 0.29 C ATOM 966 CG GLN A 63 16.637 -4.421 -1.431 1.00 0.90 C ATOM 967 CD GLN A 63 16.219 -3.986 -0.032 1.00 1.53 C ATOM 968 OE1 GLN A 63 15.413 -3.093 0.115 1.00 2.17 O ATOM 969 NE2 GLN A 63 16.733 -4.586 1.008 1.00 2.22 N ATOM 0 H GLN A 63 14.941 -5.683 0.496 1.00 0.20 H new ATOM 0 HA GLN A 63 14.080 -4.652 -1.973 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.338 -6.541 -1.158 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.160 -6.006 -2.817 1.00 0.29 H new ATOM 0 HG2 GLN A 63 17.719 -4.541 -1.478 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.370 -3.653 -2.157 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.411 -5.337 0.880 1.00 2.22 H new ATOM 0 HE22 GLN A 63 16.456 -4.303 1.948 1.00 2.22 H new ATOM 978 N ASP A 64 13.249 -7.734 -1.606 1.00 0.19 N ATOM 979 CA ASP A 64 12.579 -8.873 -2.293 1.00 0.20 C ATOM 980 C ASP A 64 11.251 -8.413 -2.893 1.00 0.17 C ATOM 981 O ASP A 64 10.932 -8.728 -4.022 1.00 0.19 O ATOM 982 CB ASP A 64 12.328 -9.997 -1.284 1.00 0.22 C ATOM 983 CG ASP A 64 11.773 -9.404 0.013 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.520 -8.724 0.697 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.612 -9.642 0.301 1.00 1.09 O ATOM 0 H ASP A 64 13.289 -7.799 -0.589 1.00 0.19 H new ATOM 0 HA ASP A 64 13.221 -9.238 -3.094 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.624 -10.720 -1.696 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.255 -10.534 -1.083 1.00 0.22 H new ATOM 990 N VAL A 65 10.475 -7.670 -2.158 1.00 0.15 N ATOM 991 CA VAL A 65 9.177 -7.199 -2.706 1.00 0.16 C ATOM 992 C VAL A 65 9.450 -6.109 -3.746 1.00 0.16 C ATOM 993 O VAL A 65 8.883 -6.106 -4.821 1.00 0.19 O ATOM 994 CB VAL A 65 8.315 -6.638 -1.570 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.855 -6.556 -2.026 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.418 -7.562 -0.353 1.00 0.18 C ATOM 0 H VAL A 65 10.683 -7.370 -1.206 1.00 0.15 H new ATOM 0 HA VAL A 65 8.645 -8.027 -3.175 1.00 0.16 H new ATOM 0 HB VAL A 65 8.667 -5.641 -1.304 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.243 -6.157 -1.217 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.781 -5.901 -2.894 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.500 -7.552 -2.292 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.806 -7.166 0.457 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.065 -8.558 -0.621 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.457 -7.621 -0.028 1.00 0.18 H new ATOM 1006 N ALA A 66 10.327 -5.194 -3.437 1.00 0.16 N ATOM 1007 CA ALA A 66 10.655 -4.114 -4.409 1.00 0.18 C ATOM 1008 C ALA A 66 11.305 -4.732 -5.649 1.00 0.19 C ATOM 1009 O ALA A 66 11.080 -4.298 -6.762 1.00 0.20 O ATOM 1010 CB ALA A 66 11.629 -3.126 -3.762 1.00 0.22 C ATOM 0 H ALA A 66 10.831 -5.148 -2.552 1.00 0.16 H new ATOM 0 HA ALA A 66 9.743 -3.590 -4.696 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.870 -2.335 -4.472 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.169 -2.690 -2.875 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.542 -3.649 -3.477 1.00 0.22 H new ATOM 1016 N SER A 67 12.113 -5.742 -5.465 1.00 0.21 N ATOM 1017 CA SER A 67 12.779 -6.386 -6.632 1.00 0.26 C ATOM 1018 C SER A 67 11.724 -7.031 -7.533 1.00 0.26 C ATOM 1019 O SER A 67 11.738 -6.869 -8.737 1.00 0.29 O ATOM 1020 CB SER A 67 13.752 -7.459 -6.142 1.00 0.31 C ATOM 1021 OG SER A 67 14.875 -6.832 -5.536 1.00 1.29 O ATOM 0 H SER A 67 12.340 -6.148 -4.557 1.00 0.21 H new ATOM 0 HA SER A 67 13.326 -5.630 -7.195 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.257 -8.116 -5.426 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.075 -8.082 -6.976 1.00 0.31 H new ATOM 0 HG SER A 67 14.769 -6.842 -4.562 1.00 1.29 H new ATOM 1027 N GLU A 68 10.813 -7.765 -6.958 1.00 0.26 N ATOM 1028 CA GLU A 68 9.759 -8.427 -7.777 1.00 0.30 C ATOM 1029 C GLU A 68 8.897 -7.363 -8.466 1.00 0.31 C ATOM 1030 O GLU A 68 8.488 -7.523 -9.598 1.00 0.36 O ATOM 1031 CB GLU A 68 8.883 -9.295 -6.863 1.00 0.31 C ATOM 1032 CG GLU A 68 8.101 -10.316 -7.698 1.00 0.39 C ATOM 1033 CD GLU A 68 7.054 -9.590 -8.544 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.165 -8.987 -7.963 1.00 2.19 O ATOM 1035 OE2 GLU A 68 7.155 -9.652 -9.758 1.00 2.20 O ATOM 0 H GLU A 68 10.752 -7.936 -5.954 1.00 0.26 H new ATOM 0 HA GLU A 68 10.224 -9.054 -8.538 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.506 -9.811 -6.133 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.192 -8.665 -6.304 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.782 -10.873 -8.342 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.616 -11.041 -7.044 1.00 0.39 H new ATOM 1042 N ALA A 69 8.616 -6.279 -7.790 1.00 0.29 N ATOM 1043 CA ALA A 69 7.776 -5.206 -8.409 1.00 0.31 C ATOM 1044 C ALA A 69 8.670 -4.220 -9.168 1.00 0.29 C ATOM 1045 O ALA A 69 8.194 -3.311 -9.817 1.00 0.33 O ATOM 1046 CB ALA A 69 7.018 -4.460 -7.308 1.00 0.31 C ATOM 0 H ALA A 69 8.930 -6.089 -6.838 1.00 0.29 H new ATOM 0 HA ALA A 69 7.068 -5.657 -9.104 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.405 -3.677 -7.755 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.378 -5.159 -6.769 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.730 -4.012 -6.615 1.00 0.31 H new ATOM 1052 N GLU A 70 9.962 -4.394 -9.094 1.00 0.27 N ATOM 1053 CA GLU A 70 10.885 -3.467 -9.814 1.00 0.29 C ATOM 1054 C GLU A 70 10.480 -2.013 -9.542 1.00 0.25 C ATOM 1055 O GLU A 70 10.070 -1.298 -10.434 1.00 0.26 O ATOM 1056 CB GLU A 70 10.816 -3.748 -11.322 1.00 0.38 C ATOM 1057 CG GLU A 70 11.648 -4.991 -11.655 1.00 1.18 C ATOM 1058 CD GLU A 70 11.573 -5.270 -13.157 1.00 1.61 C ATOM 1059 OE1 GLU A 70 11.237 -4.358 -13.894 1.00 2.34 O ATOM 1060 OE2 GLU A 70 11.854 -6.392 -13.546 1.00 2.06 O ATOM 0 H GLU A 70 10.419 -5.138 -8.566 1.00 0.27 H new ATOM 0 HA GLU A 70 11.904 -3.625 -9.460 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.780 -3.900 -11.626 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.189 -2.889 -11.879 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.685 -4.839 -11.354 1.00 1.18 H new ATOM 0 HG3 GLU A 70 11.277 -5.850 -11.096 1.00 1.18 H new ATOM 1067 N VAL A 71 10.601 -1.569 -8.320 1.00 0.22 N ATOM 1068 CA VAL A 71 10.233 -0.159 -7.996 1.00 0.19 C ATOM 1069 C VAL A 71 11.371 0.773 -8.428 1.00 0.23 C ATOM 1070 O VAL A 71 12.521 0.546 -8.108 1.00 0.28 O ATOM 1071 CB VAL A 71 10.007 -0.020 -6.490 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.556 1.405 -6.171 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.925 -1.008 -6.047 1.00 0.19 C ATOM 0 H VAL A 71 10.939 -2.121 -7.532 1.00 0.22 H new ATOM 0 HA VAL A 71 9.318 0.108 -8.525 1.00 0.19 H new ATOM 0 HB VAL A 71 10.936 -0.233 -5.961 1.00 0.18 H new ATOM 0 HG11 VAL A 71 9.395 1.504 -5.098 1.00 0.19 H new ATOM 0 HG12 VAL A 71 10.324 2.110 -6.489 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.627 1.619 -6.699 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.762 -0.911 -4.974 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.997 -0.793 -6.576 1.00 0.19 H new ATOM 0 HG23 VAL A 71 9.245 -2.025 -6.275 1.00 0.19 H new ATOM 1083 N LYS A 72 11.057 1.820 -9.156 1.00 0.24 N ATOM 1084 CA LYS A 72 12.112 2.782 -9.620 1.00 0.29 C ATOM 1085 C LYS A 72 11.729 4.199 -9.192 1.00 0.26 C ATOM 1086 O LYS A 72 12.483 5.136 -9.367 1.00 0.27 O ATOM 1087 CB LYS A 72 12.209 2.727 -11.147 1.00 0.35 C ATOM 1088 CG LYS A 72 12.252 1.265 -11.610 1.00 0.43 C ATOM 1089 CD LYS A 72 12.624 1.192 -13.105 1.00 1.16 C ATOM 1090 CE LYS A 72 14.150 1.169 -13.275 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.502 1.634 -14.647 1.00 2.40 N ATOM 0 H LYS A 72 10.108 2.052 -9.451 1.00 0.24 H new ATOM 0 HA LYS A 72 13.072 2.512 -9.180 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.354 3.235 -11.594 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.103 3.252 -11.483 1.00 0.35 H new ATOM 0 HG2 LYS A 72 12.980 0.710 -11.019 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.283 0.795 -11.445 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.188 0.298 -13.552 1.00 1.16 H new ATOM 0 HD3 LYS A 72 12.205 2.049 -13.633 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.620 1.811 -12.530 1.00 1.66 H new ATOM 0 HE3 LYS A 72 14.530 0.160 -13.112 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 15.535 1.619 -14.764 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 14.065 1.004 -15.350 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.152 2.603 -14.785 1.00 2.40 H new ATOM 1105 N ALA A 73 10.564 4.361 -8.631 1.00 0.22 N ATOM 1106 CA ALA A 73 10.122 5.715 -8.184 1.00 0.20 C ATOM 1107 C ALA A 73 9.151 5.537 -7.014 1.00 0.18 C ATOM 1108 O ALA A 73 8.219 4.765 -7.101 1.00 0.16 O ATOM 1109 CB ALA A 73 9.423 6.434 -9.362 1.00 0.21 C ATOM 0 H ALA A 73 9.894 3.611 -8.461 1.00 0.22 H new ATOM 0 HA ALA A 73 10.973 6.317 -7.865 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.097 7.424 -9.042 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.121 6.532 -10.194 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.558 5.853 -9.681 1.00 0.21 H new ATOM 1115 N THR A 74 9.363 6.233 -5.919 1.00 0.18 N ATOM 1116 CA THR A 74 8.443 6.085 -4.736 1.00 0.17 C ATOM 1117 C THR A 74 7.883 7.458 -4.329 1.00 0.17 C ATOM 1118 O THR A 74 8.482 8.467 -4.643 1.00 0.19 O ATOM 1119 CB THR A 74 9.243 5.470 -3.582 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.550 6.028 -3.582 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.310 3.946 -3.772 1.00 0.19 C ATOM 0 H THR A 74 10.129 6.895 -5.791 1.00 0.18 H new ATOM 0 HA THR A 74 7.602 5.440 -4.990 1.00 0.17 H new ATOM 0 HB THR A 74 8.762 5.685 -2.628 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.017 5.768 -2.761 1.00 0.22 H new ATOM 0 HG21 THR A 74 9.878 3.502 -2.954 1.00 0.19 H new ATOM 0 HG22 THR A 74 8.300 3.535 -3.778 1.00 0.19 H new ATOM 0 HG23 THR A 74 9.799 3.719 -4.719 1.00 0.19 H new ATOM 1129 N PRO A 75 6.746 7.479 -3.641 1.00 0.17 N ATOM 1130 CA PRO A 75 5.973 6.277 -3.230 1.00 0.16 C ATOM 1131 C PRO A 75 5.268 5.643 -4.431 1.00 0.14 C ATOM 1132 O PRO A 75 4.727 6.320 -5.282 1.00 0.14 O ATOM 1133 CB PRO A 75 4.941 6.808 -2.205 1.00 0.17 C ATOM 1134 CG PRO A 75 5.013 8.362 -2.240 1.00 0.20 C ATOM 1135 CD PRO A 75 6.150 8.752 -3.211 1.00 0.19 C ATOM 0 HA PRO A 75 6.613 5.501 -2.810 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.938 6.464 -2.456 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.165 6.435 -1.206 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.064 8.782 -2.572 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.206 8.759 -1.244 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.765 9.314 -4.062 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.888 9.385 -2.719 1.00 0.19 H new ATOM 1143 N THR A 76 5.282 4.334 -4.492 1.00 0.13 N ATOM 1144 CA THR A 76 4.622 3.616 -5.623 1.00 0.12 C ATOM 1145 C THR A 76 3.365 2.947 -5.088 1.00 0.12 C ATOM 1146 O THR A 76 3.434 1.997 -4.335 1.00 0.18 O ATOM 1147 CB THR A 76 5.570 2.539 -6.185 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.898 3.041 -6.203 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.147 2.172 -7.609 1.00 0.13 C ATOM 0 H THR A 76 5.726 3.729 -3.801 1.00 0.13 H new ATOM 0 HA THR A 76 4.375 4.319 -6.418 1.00 0.12 H new ATOM 0 HB THR A 76 5.522 1.652 -5.553 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.941 3.831 -6.781 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.819 1.410 -8.003 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.128 1.786 -7.598 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.192 3.058 -8.242 1.00 0.13 H new ATOM 1157 N PHE A 77 2.216 3.426 -5.464 1.00 0.09 N ATOM 1158 CA PHE A 77 0.965 2.794 -4.961 1.00 0.09 C ATOM 1159 C PHE A 77 0.580 1.660 -5.893 1.00 0.09 C ATOM 1160 O PHE A 77 0.333 1.854 -7.066 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.160 3.823 -4.897 1.00 0.10 C ATOM 1162 CG PHE A 77 0.144 4.797 -3.794 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.134 4.447 -2.460 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.711 6.049 -4.095 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.157 5.355 -1.423 1.00 0.09 C ATOM 1166 CE2 PHE A 77 1.001 6.957 -3.061 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.725 6.613 -1.725 1.00 0.12 C ATOM 0 H PHE A 77 2.087 4.220 -6.091 1.00 0.09 H new ATOM 0 HA PHE A 77 1.132 2.406 -3.956 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.249 4.346 -5.849 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.114 3.329 -4.714 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.569 3.485 -2.232 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.924 6.313 -5.120 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.054 5.090 -0.398 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.436 7.918 -3.292 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.947 7.310 -0.931 1.00 0.12 H new ATOM 1177 N GLN A 78 0.536 0.474 -5.363 1.00 0.07 N ATOM 1178 CA GLN A 78 0.179 -0.720 -6.171 1.00 0.07 C ATOM 1179 C GLN A 78 -1.107 -1.302 -5.598 1.00 0.06 C ATOM 1180 O GLN A 78 -1.302 -1.330 -4.399 1.00 0.07 O ATOM 1181 CB GLN A 78 1.320 -1.733 -6.052 1.00 0.08 C ATOM 1182 CG GLN A 78 2.655 -1.028 -6.311 1.00 0.12 C ATOM 1183 CD GLN A 78 3.736 -2.068 -6.610 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.808 -1.731 -7.071 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.498 -3.328 -6.366 1.00 1.03 N ATOM 0 H GLN A 78 0.737 0.278 -4.382 1.00 0.07 H new ATOM 0 HA GLN A 78 0.030 -0.467 -7.221 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.320 -2.182 -5.059 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.179 -2.542 -6.768 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.557 -0.339 -7.150 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.938 -0.434 -5.442 1.00 0.12 H new ATOM 0 HE21 GLN A 78 2.598 -3.611 -5.979 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.212 -4.029 -6.562 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.002 -1.733 -6.446 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.309 -2.279 -5.962 1.00 0.07 C ATOM 1196 C PHE A 79 -3.381 -3.780 -6.214 1.00 0.07 C ATOM 1197 O PHE A 79 -3.066 -4.262 -7.284 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.443 -1.578 -6.715 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.469 -0.124 -6.309 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.439 0.732 -6.719 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.511 0.371 -5.507 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.441 2.085 -6.334 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.519 1.720 -5.114 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.485 2.579 -5.527 1.00 0.11 C ATOM 0 H PHE A 79 -1.886 -1.731 -7.459 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.402 -2.101 -4.891 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.293 -1.667 -7.791 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.398 -2.051 -6.486 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.638 0.351 -7.335 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.308 -0.287 -5.192 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.646 2.742 -6.655 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.319 2.097 -4.495 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.491 3.616 -5.226 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.808 -4.517 -5.223 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.930 -5.996 -5.359 1.00 0.08 C ATOM 1216 C PHE A 80 -5.331 -6.406 -4.917 1.00 0.11 C ATOM 1217 O PHE A 80 -5.986 -5.717 -4.160 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.894 -6.689 -4.467 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.523 -6.585 -5.096 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -0.761 -5.412 -4.933 1.00 0.09 C ATOM 1221 CD2 PHE A 80 -1.003 -7.665 -5.836 1.00 0.14 C ATOM 1222 CE1 PHE A 80 0.519 -5.319 -5.511 1.00 0.11 C ATOM 1223 CE2 PHE A 80 0.279 -7.570 -6.413 1.00 0.17 C ATOM 1224 CZ PHE A 80 1.039 -6.396 -6.249 1.00 0.14 C ATOM 0 H PHE A 80 -4.081 -4.150 -4.312 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.757 -6.288 -6.395 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.886 -6.229 -3.479 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.162 -7.736 -4.329 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.159 -4.584 -4.365 1.00 0.09 H new ATOM 0 HD2 PHE A 80 -1.587 -8.565 -5.961 1.00 0.14 H new ATOM 0 HE1 PHE A 80 1.102 -4.419 -5.387 1.00 0.11 H new ATOM 0 HE2 PHE A 80 0.679 -8.397 -6.981 1.00 0.17 H new ATOM 0 HZ PHE A 80 2.022 -6.323 -6.691 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.793 -7.524 -5.385 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.147 -7.996 -5.001 1.00 0.14 C ATOM 1236 C LYS A 81 -7.161 -9.514 -5.170 1.00 0.14 C ATOM 1237 O LYS A 81 -6.890 -10.027 -6.237 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.193 -7.330 -5.915 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.579 -7.347 -5.250 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.538 -6.440 -6.035 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.831 -6.254 -5.239 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.877 -5.663 -6.121 1.00 1.48 N ATOM 0 H LYS A 81 -5.287 -8.138 -6.023 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.387 -7.735 -3.970 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.898 -6.302 -6.127 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.235 -7.853 -6.870 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.967 -8.365 -5.221 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.502 -7.006 -4.218 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.071 -5.473 -6.221 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.757 -6.880 -7.008 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.170 -7.213 -4.847 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.653 -5.604 -4.382 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.756 -5.536 -5.580 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.552 -4.740 -6.475 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -13.053 -6.299 -6.925 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.441 -10.233 -4.119 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.444 -11.721 -4.205 1.00 0.20 C ATOM 1258 C LYS A 82 -6.084 -12.213 -4.721 1.00 0.20 C ATOM 1259 O LYS A 82 -5.996 -13.211 -5.409 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.556 -12.188 -5.155 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.907 -12.170 -4.428 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.030 -12.613 -5.387 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.533 -11.419 -6.222 1.00 1.19 C ATOM 1264 NZ LYS A 82 -11.993 -11.910 -7.552 1.00 1.67 N ATOM 0 H LYS A 82 -7.669 -9.853 -3.200 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.625 -12.134 -3.213 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.595 -11.539 -6.030 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.340 -13.194 -5.514 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.873 -12.834 -3.564 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.113 -11.168 -4.052 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.662 -13.397 -6.049 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.856 -13.038 -4.817 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.350 -10.916 -5.704 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.736 -10.686 -6.347 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.334 -11.108 -8.119 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -11.202 -12.371 -8.044 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -12.765 -12.594 -7.421 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.023 -11.535 -4.382 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.675 -11.980 -4.839 1.00 0.21 C ATOM 1280 C GLY A 83 -3.444 -11.580 -6.299 1.00 0.19 C ATOM 1281 O GLY A 83 -2.446 -11.941 -6.891 1.00 0.22 O ATOM 0 H GLY A 83 -5.030 -10.692 -3.808 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.906 -11.535 -4.208 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.588 -13.061 -4.734 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.358 -10.846 -6.890 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.189 -10.427 -8.325 1.00 0.17 C ATOM 1287 C GLN A 84 -3.991 -8.909 -8.412 1.00 0.16 C ATOM 1288 O GLN A 84 -4.560 -8.152 -7.652 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.442 -10.812 -9.110 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.652 -12.324 -9.020 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.937 -12.707 -9.754 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -6.958 -13.656 -10.513 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.019 -12.006 -9.557 1.00 2.08 N ATOM 0 H GLN A 84 -5.214 -10.518 -6.443 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.315 -10.927 -8.742 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.310 -10.289 -8.710 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.339 -10.509 -10.152 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.801 -12.846 -9.458 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.712 -12.632 -7.976 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.002 -11.210 -8.920 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.882 -12.254 -10.040 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.190 -8.459 -9.346 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.953 -6.992 -9.497 1.00 0.17 C ATOM 1304 C LYS A 85 -4.052 -6.389 -10.373 1.00 0.16 C ATOM 1305 O LYS A 85 -4.493 -6.995 -11.330 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.590 -6.754 -10.153 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.385 -5.248 -10.381 1.00 0.25 C ATOM 1308 CD LYS A 85 0.108 -4.944 -10.555 1.00 0.30 C ATOM 1309 CE LYS A 85 0.647 -5.700 -11.770 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.988 -5.159 -12.134 1.00 1.70 N ATOM 0 H LYS A 85 -2.689 -9.047 -10.012 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.967 -6.520 -8.515 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.796 -7.148 -9.519 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.534 -7.287 -11.102 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.936 -4.927 -11.265 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.783 -4.686 -9.536 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.259 -3.872 -10.685 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.656 -5.237 -9.659 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.720 -6.764 -11.547 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.039 -5.597 -12.610 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.289 -5.562 -13.044 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.934 -4.123 -12.214 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.677 -5.414 -11.398 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.504 -5.200 -10.047 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.589 -4.541 -10.847 1.00 0.16 C ATOM 1326 C VAL A 86 -5.092 -3.206 -11.410 1.00 0.18 C ATOM 1327 O VAL A 86 -5.467 -2.807 -12.494 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.797 -4.290 -9.942 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.382 -5.629 -9.487 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.360 -3.484 -8.717 1.00 0.17 C ATOM 0 H VAL A 86 -4.165 -4.653 -9.255 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.871 -5.193 -11.674 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.553 -3.731 -10.494 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.242 -5.450 -8.842 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.695 -6.204 -10.358 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.626 -6.188 -8.936 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.221 -3.306 -8.073 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.603 -4.042 -8.165 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.944 -2.529 -9.039 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.254 -2.505 -10.690 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.754 -1.196 -11.208 1.00 0.18 C ATOM 1342 C GLY A 87 -2.604 -0.683 -10.336 1.00 0.10 C ATOM 1343 O GLY A 87 -2.191 -1.329 -9.393 1.00 0.08 O ATOM 0 H GLY A 87 -3.897 -2.779 -9.775 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.415 -1.310 -12.238 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.565 -0.468 -11.218 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.087 0.477 -10.648 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.962 1.037 -9.845 1.00 0.10 C ATOM 1349 C GLU A 88 -0.645 2.458 -10.301 1.00 0.10 C ATOM 1350 O GLU A 88 -0.928 2.844 -11.417 1.00 0.11 O ATOM 1351 CB GLU A 88 0.283 0.165 -10.017 1.00 0.17 C ATOM 1352 CG GLU A 88 0.628 0.038 -11.505 1.00 0.25 C ATOM 1353 CD GLU A 88 1.589 -1.135 -11.710 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.756 -0.981 -11.393 1.00 2.04 O ATOM 1355 OE2 GLU A 88 1.140 -2.167 -12.179 1.00 1.94 O ATOM 0 H GLU A 88 -2.396 1.061 -11.425 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.257 1.053 -8.796 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.122 0.603 -9.476 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.108 -0.822 -9.589 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.280 -0.117 -12.087 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.083 0.961 -11.863 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.038 3.231 -9.444 1.00 0.09 N ATOM 1363 CA PHE A 89 0.322 4.623 -9.826 1.00 0.09 C ATOM 1364 C PHE A 89 1.260 5.229 -8.779 1.00 0.09 C ATOM 1365 O PHE A 89 1.005 5.179 -7.596 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.947 5.487 -9.999 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.512 5.946 -8.664 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.861 6.954 -7.919 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.707 5.379 -8.174 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.404 7.385 -6.694 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.247 5.814 -6.950 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.597 6.817 -6.210 1.00 0.11 C ATOM 0 H PHE A 89 0.224 2.958 -8.497 1.00 0.09 H new ATOM 0 HA PHE A 89 0.843 4.601 -10.783 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.712 6.358 -10.611 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.704 4.915 -10.535 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.053 7.394 -8.289 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.209 4.608 -8.740 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.904 8.154 -6.124 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.162 5.377 -6.578 1.00 0.10 H new ATOM 0 HZ PHE A 89 -3.013 7.151 -5.271 1.00 0.11 H new ATOM 1382 N SER A 90 2.352 5.806 -9.215 1.00 0.13 N ATOM 1383 CA SER A 90 3.323 6.430 -8.262 1.00 0.14 C ATOM 1384 C SER A 90 3.141 7.949 -8.292 1.00 0.14 C ATOM 1385 O SER A 90 2.113 8.452 -8.700 1.00 0.17 O ATOM 1386 CB SER A 90 4.748 6.079 -8.692 1.00 0.15 C ATOM 1387 OG SER A 90 5.151 6.949 -9.741 1.00 0.16 O ATOM 0 H SER A 90 2.615 5.872 -10.198 1.00 0.13 H new ATOM 0 HA SER A 90 3.146 6.057 -7.253 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.429 6.172 -7.846 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.794 5.042 -9.026 1.00 0.15 H new ATOM 0 HG SER A 90 5.780 7.614 -9.391 1.00 0.16 H new ATOM 1393 N GLY A 91 4.126 8.684 -7.862 1.00 0.12 N ATOM 1394 CA GLY A 91 4.002 10.172 -7.865 1.00 0.13 C ATOM 1395 C GLY A 91 3.200 10.608 -6.640 1.00 0.13 C ATOM 1396 O GLY A 91 2.065 10.214 -6.459 1.00 0.13 O ATOM 0 H GLY A 91 5.012 8.322 -7.508 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.990 10.632 -7.851 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.508 10.507 -8.777 1.00 0.13 H new ATOM 1400 N ALA A 92 3.781 11.406 -5.789 1.00 0.15 N ATOM 1401 CA ALA A 92 3.045 11.845 -4.567 1.00 0.17 C ATOM 1402 C ALA A 92 1.639 12.342 -4.931 1.00 0.15 C ATOM 1403 O ALA A 92 1.446 13.492 -5.271 1.00 0.16 O ATOM 1404 CB ALA A 92 3.822 12.978 -3.872 1.00 0.20 C ATOM 0 H ALA A 92 4.728 11.773 -5.884 1.00 0.15 H new ATOM 0 HA ALA A 92 2.954 10.993 -3.894 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.282 13.296 -2.980 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.812 12.620 -3.588 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.924 13.822 -4.555 1.00 0.20 H new ATOM 1410 N ASN A 93 0.652 11.489 -4.821 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.754 11.909 -5.114 1.00 0.13 C ATOM 1412 C ASN A 93 -1.669 11.274 -4.065 1.00 0.12 C ATOM 1413 O ASN A 93 -2.342 10.293 -4.307 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.166 11.461 -6.516 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.366 12.290 -6.970 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.046 12.889 -6.160 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.659 12.353 -8.234 1.00 1.15 N ATOM 0 H ASN A 93 0.759 10.515 -4.539 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.833 12.995 -5.075 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.336 11.588 -7.211 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.420 10.401 -6.513 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.459 12.905 -8.545 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -2.089 11.851 -8.915 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.664 11.833 -2.893 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.492 11.297 -1.770 1.00 0.20 C ATOM 1426 C LYS A 94 -3.987 11.421 -2.080 1.00 0.18 C ATOM 1427 O LYS A 94 -4.764 10.542 -1.770 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.164 12.082 -0.492 1.00 0.29 C ATOM 1429 CG LYS A 94 -1.980 13.569 -0.838 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.856 14.402 0.444 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.480 14.188 1.091 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.596 14.371 0.075 1.00 1.19 N ATOM 0 H LYS A 94 -1.111 12.657 -2.655 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.260 10.240 -1.635 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -2.966 11.963 0.237 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.256 11.689 -0.034 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.089 13.699 -1.452 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.827 13.920 -1.427 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -1.996 15.458 0.214 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.642 14.121 1.145 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.341 14.893 1.911 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.422 13.187 1.518 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.502 14.545 0.556 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.673 13.513 -0.508 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.365 15.183 -0.533 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.400 12.505 -2.665 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.846 12.676 -2.964 1.00 0.20 C ATOM 1448 C GLU A 95 -6.291 11.643 -4.003 1.00 0.17 C ATOM 1449 O GLU A 95 -7.442 11.260 -4.059 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.079 14.086 -3.503 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.959 15.094 -2.357 1.00 0.33 C ATOM 1452 CD GLU A 95 -5.986 16.515 -2.923 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.462 16.681 -4.033 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -5.530 17.413 -2.234 1.00 1.86 O ATOM 0 H GLU A 95 -3.801 13.280 -2.949 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.427 12.530 -2.053 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.351 14.315 -4.281 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.066 14.154 -3.960 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.778 14.957 -1.651 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.033 14.927 -1.807 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.387 11.184 -4.825 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.758 10.174 -5.856 1.00 0.14 C ATOM 1463 C LYS A 96 -6.108 8.856 -5.168 1.00 0.12 C ATOM 1464 O LYS A 96 -6.960 8.120 -5.622 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.587 9.969 -6.822 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.875 8.786 -7.758 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.837 8.749 -8.900 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.304 9.621 -10.072 1.00 1.18 C ATOM 1469 NZ LYS A 96 -5.543 9.038 -10.660 1.00 2.05 N ATOM 0 H LYS A 96 -4.407 11.465 -4.827 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.622 10.525 -6.420 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.425 10.874 -7.407 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.671 9.784 -6.261 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.843 7.852 -7.197 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.879 8.876 -8.172 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.873 9.103 -8.536 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.693 7.722 -9.237 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.495 10.638 -9.730 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -3.522 9.681 -10.829 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.568 9.234 -11.681 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.550 8.010 -10.505 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -6.376 9.463 -10.205 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.468 8.550 -4.070 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.788 7.277 -3.363 1.00 0.11 C ATOM 1485 C LEU A 97 -7.303 7.194 -3.174 1.00 0.11 C ATOM 1486 O LEU A 97 -7.894 6.132 -3.216 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.115 7.270 -1.986 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.625 6.931 -2.123 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.948 7.190 -0.770 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.444 5.446 -2.558 1.00 0.13 C ATOM 0 H LEU A 97 -4.744 9.122 -3.636 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.429 6.430 -3.947 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.231 8.245 -1.512 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.603 6.541 -1.339 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.166 7.556 -2.890 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.886 6.955 -0.844 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.070 8.238 -0.497 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.407 6.561 -0.007 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.382 5.221 -2.651 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.890 4.791 -1.810 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.934 5.286 -3.518 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.929 8.315 -2.957 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.407 8.322 -2.755 1.00 0.14 C ATOM 1504 C GLU A 98 -10.105 7.926 -4.058 1.00 0.13 C ATOM 1505 O GLU A 98 -10.880 6.992 -4.104 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.856 9.729 -2.341 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.283 9.685 -1.781 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.274 9.426 -2.918 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -12.323 10.235 -3.830 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.967 8.424 -2.856 1.00 2.15 O ATOM 0 H GLU A 98 -7.481 9.230 -2.910 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.671 7.609 -1.974 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.175 10.130 -1.590 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.815 10.399 -3.199 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.365 8.901 -1.028 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.520 10.627 -1.287 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.842 8.644 -5.115 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.493 8.329 -6.419 1.00 0.14 C ATOM 1519 C ALA A 99 -10.159 6.900 -6.855 1.00 0.12 C ATOM 1520 O ALA A 99 -11.001 6.195 -7.368 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.996 9.311 -7.481 1.00 0.15 C ATOM 0 H ALA A 99 -9.202 9.438 -5.132 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.573 8.417 -6.304 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.470 9.084 -8.436 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.249 10.328 -7.183 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.914 9.221 -7.582 1.00 0.15 H new ATOM 1527 N THR A 100 -8.938 6.471 -6.674 1.00 0.11 N ATOM 1528 CA THR A 100 -8.560 5.090 -7.106 1.00 0.11 C ATOM 1529 C THR A 100 -9.290 4.047 -6.255 1.00 0.10 C ATOM 1530 O THR A 100 -9.863 3.105 -6.768 1.00 0.11 O ATOM 1531 CB THR A 100 -7.047 4.907 -6.959 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.381 6.024 -7.532 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.607 3.627 -7.675 1.00 0.12 C ATOM 0 H THR A 100 -8.187 7.014 -6.247 1.00 0.11 H new ATOM 0 HA THR A 100 -8.847 4.954 -8.149 1.00 0.11 H new ATOM 0 HB THR A 100 -6.793 4.831 -5.902 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.484 6.802 -6.946 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.530 3.502 -7.567 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.118 2.770 -7.235 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.860 3.697 -8.733 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.280 4.205 -4.961 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.979 3.219 -4.082 1.00 0.11 C ATOM 1543 C ILE A 101 -11.473 3.218 -4.429 1.00 0.13 C ATOM 1544 O ILE A 101 -12.073 2.180 -4.624 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.775 3.622 -2.609 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.323 3.304 -2.199 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.749 2.846 -1.710 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.966 3.991 -0.869 1.00 0.18 C ATOM 0 H ILE A 101 -8.819 4.972 -4.472 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.573 2.219 -4.236 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.967 4.689 -2.494 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.196 2.226 -2.102 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.639 3.636 -2.980 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.597 3.138 -0.671 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.774 3.072 -2.004 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.569 1.776 -1.816 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.937 3.752 -0.601 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.071 5.070 -0.977 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.637 3.638 -0.086 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.075 4.372 -4.507 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.526 4.436 -4.842 1.00 0.17 C ATOM 1562 C ASN A 102 -13.752 3.858 -6.243 1.00 0.18 C ATOM 1563 O ASN A 102 -14.861 3.534 -6.621 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.988 5.895 -4.810 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.516 5.952 -4.825 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.169 4.977 -5.140 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.118 7.063 -4.497 1.00 1.03 N ATOM 0 H ASN A 102 -11.625 5.274 -4.353 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.096 3.857 -4.115 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.605 6.388 -3.917 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.586 6.433 -5.669 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.137 7.113 -4.505 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.570 7.881 -4.233 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.710 3.738 -7.019 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.857 3.193 -8.400 1.00 0.18 C ATOM 1576 C GLU A 103 -12.984 1.666 -8.362 1.00 0.19 C ATOM 1577 O GLU A 103 -13.944 1.098 -8.844 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.620 3.574 -9.225 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.945 3.483 -10.719 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.705 3.851 -11.535 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.713 3.150 -11.417 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -10.768 4.827 -12.264 1.00 2.01 O ATOM 0 H GLU A 103 -11.759 3.995 -6.756 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.756 3.612 -8.852 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.301 4.586 -8.974 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.791 2.909 -8.983 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.272 2.474 -10.970 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.767 4.155 -10.965 1.00 0.22 H new ATOM 1589 N LEU A 104 -12.002 0.999 -7.817 1.00 0.17 N ATOM 1590 CA LEU A 104 -12.027 -0.494 -7.767 1.00 0.19 C ATOM 1591 C LEU A 104 -12.676 -0.974 -6.466 1.00 0.19 C ATOM 1592 O LEU A 104 -12.505 -2.107 -6.063 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.588 -1.012 -7.847 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.873 -0.385 -9.052 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.398 -0.799 -9.039 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.529 -0.863 -10.356 1.00 0.35 C ATOM 0 H LEU A 104 -11.176 1.428 -7.400 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.611 -0.875 -8.605 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -10.053 -0.769 -6.929 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.588 -2.098 -7.938 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.950 0.701 -8.991 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.888 -0.355 -9.894 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.931 -0.452 -8.117 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.324 -1.885 -9.097 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.017 -0.414 -11.207 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.459 -1.949 -10.422 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.578 -0.566 -10.366 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.424 -0.131 -5.810 1.00 0.20 N ATOM 1609 CA VAL A 105 -14.082 -0.561 -4.543 1.00 0.22 C ATOM 1610 C VAL A 105 -15.102 -1.661 -4.848 1.00 0.26 C ATOM 1611 O VAL A 105 -15.075 -2.672 -4.167 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.793 0.631 -3.896 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.779 1.252 -4.893 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.549 0.157 -2.649 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.889 -1.474 -5.761 1.00 1.18 O ATOM 0 H VAL A 105 -13.608 0.831 -6.093 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.326 -0.943 -3.856 1.00 0.22 H new ATOM 0 HB VAL A 105 -14.055 1.381 -3.611 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.282 2.100 -4.427 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.238 1.592 -5.776 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.519 0.507 -5.185 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -16.056 1.004 -2.187 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -16.285 -0.595 -2.934 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.844 -0.276 -1.939 1.00 0.27 H new ATOM 1692 N ARG B 4 18.220 3.227 -1.542 1.00 0.00 N ATOM 1693 CA ARG B 4 17.861 2.503 -2.800 1.00 0.00 C ATOM 1694 C ARG B 4 17.803 3.479 -3.991 1.00 0.00 C ATOM 1695 O ARG B 4 18.821 3.888 -4.515 1.00 0.00 O ATOM 1696 CB ARG B 4 16.503 1.825 -2.598 1.00 0.00 C ATOM 1697 CG ARG B 4 16.245 0.829 -3.738 1.00 0.00 C ATOM 1698 CD ARG B 4 17.142 -0.415 -3.595 1.00 0.00 C ATOM 1699 NE ARG B 4 16.432 -1.591 -4.175 1.00 0.00 N ATOM 1700 CZ ARG B 4 17.084 -2.692 -4.424 1.00 0.00 C ATOM 1701 NH1 ARG B 4 18.365 -2.763 -4.180 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.455 -3.724 -4.914 1.00 0.00 N ATOM 0 HA ARG B 4 18.621 1.754 -3.022 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.484 1.307 -1.639 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.712 2.575 -2.572 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.197 0.529 -3.734 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.435 1.311 -4.697 1.00 0.00 H new ATOM 0 HD2 ARG B 4 18.091 -0.257 -4.108 1.00 0.00 H new ATOM 0 HD3 ARG B 4 17.373 -0.594 -2.545 1.00 0.00 H new ATOM 0 HE ARG B 4 15.434 -1.534 -4.377 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.856 -1.957 -3.794 1.00 0.00 H new ATOM 0 HH12 ARG B 4 18.874 -3.625 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.454 -3.669 -5.102 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.964 -4.586 -5.109 1.00 0.00 H new ATOM 1716 N TYR B 5 16.620 3.840 -4.434 1.00 0.00 N ATOM 1717 CA TYR B 5 16.473 4.771 -5.605 1.00 0.00 C ATOM 1718 C TYR B 5 15.960 6.145 -5.137 1.00 0.00 C ATOM 1719 O TYR B 5 16.010 6.477 -3.970 1.00 0.00 O ATOM 1720 CB TYR B 5 15.472 4.151 -6.599 1.00 0.00 C ATOM 1721 CG TYR B 5 14.387 3.457 -5.825 1.00 0.00 C ATOM 1722 CD1 TYR B 5 13.505 4.218 -5.049 1.00 0.00 C ATOM 1723 CD2 TYR B 5 14.257 2.053 -5.870 1.00 0.00 C ATOM 1724 CE1 TYR B 5 12.496 3.592 -4.323 1.00 0.00 C ATOM 1725 CE2 TYR B 5 13.233 1.423 -5.136 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.352 2.197 -4.364 1.00 0.00 C ATOM 1727 OH TYR B 5 11.343 1.595 -3.657 1.00 0.00 O ATOM 0 H TYR B 5 15.738 3.526 -4.030 1.00 0.00 H new ATOM 0 HA TYR B 5 17.442 4.912 -6.084 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.045 4.925 -7.236 1.00 0.00 H new ATOM 0 HB3 TYR B 5 15.980 3.443 -7.254 1.00 0.00 H new ATOM 0 HD1 TYR B 5 13.608 5.293 -5.014 1.00 0.00 H new ATOM 0 HD2 TYR B 5 14.940 1.464 -6.465 1.00 0.00 H new ATOM 0 HE1 TYR B 5 11.820 4.184 -3.724 1.00 0.00 H new ATOM 0 HE2 TYR B 5 13.126 0.349 -5.167 1.00 0.00 H new ATOM 0 HH TYR B 5 11.130 0.729 -4.064 1.00 0.00 H new ATOM 1737 N VAL B 6 15.484 6.946 -6.058 1.00 0.00 N ATOM 1738 CA VAL B 6 14.979 8.308 -5.711 1.00 0.00 C ATOM 1739 C VAL B 6 13.535 8.264 -5.182 1.00 0.00 C ATOM 1740 O VAL B 6 12.712 7.472 -5.615 1.00 0.00 O ATOM 1741 CB VAL B 6 15.008 9.182 -6.970 1.00 0.00 C ATOM 1742 CG1 VAL B 6 15.007 10.659 -6.580 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.263 8.869 -7.777 1.00 0.00 C ATOM 0 H VAL B 6 15.424 6.709 -7.048 1.00 0.00 H new ATOM 0 HA VAL B 6 15.620 8.716 -4.929 1.00 0.00 H new ATOM 0 HB VAL B 6 14.124 8.971 -7.572 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.028 11.273 -7.480 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.107 10.884 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.886 10.876 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.284 9.490 -8.672 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.146 9.075 -7.172 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.258 7.818 -8.065 1.00 0.00 H new ATOM 1753 N CYS B 7 13.213 9.160 -4.279 1.00 0.00 N ATOM 1754 CA CYS B 7 11.821 9.240 -3.744 1.00 0.00 C ATOM 1755 C CYS B 7 11.112 10.398 -4.450 1.00 0.00 C ATOM 1756 O CYS B 7 11.233 11.540 -4.053 1.00 0.00 O ATOM 1757 CB CYS B 7 11.848 9.509 -2.234 1.00 0.00 C ATOM 1758 SG CYS B 7 13.177 8.563 -1.455 1.00 0.00 S ATOM 0 H CYS B 7 13.862 9.843 -3.888 1.00 0.00 H new ATOM 0 HA CYS B 7 11.300 8.299 -3.921 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.993 10.573 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.890 9.236 -1.791 1.00 0.00 H new ATOM 1763 N GLU B 8 10.386 10.129 -5.501 1.00 0.00 N ATOM 1764 CA GLU B 8 9.699 11.242 -6.221 1.00 0.00 C ATOM 1765 C GLU B 8 8.378 11.575 -5.529 1.00 0.00 C ATOM 1766 O GLU B 8 7.349 11.758 -6.162 1.00 0.00 O ATOM 1767 CB GLU B 8 9.424 10.838 -7.671 1.00 0.00 C ATOM 1768 CG GLU B 8 8.869 9.408 -7.716 1.00 0.00 C ATOM 1769 CD GLU B 8 8.090 9.198 -9.018 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.679 9.370 -10.073 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.918 8.870 -8.937 1.00 0.00 O ATOM 0 H GLU B 8 10.239 9.198 -5.890 1.00 0.00 H new ATOM 0 HA GLU B 8 10.346 12.119 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.711 11.529 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.342 10.900 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.685 8.688 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.218 9.233 -6.859 1.00 0.00 H new ATOM 1778 N GLY B 9 8.401 11.690 -4.237 1.00 0.00 N ATOM 1779 CA GLY B 9 7.156 12.052 -3.517 1.00 0.00 C ATOM 1780 C GLY B 9 6.884 13.536 -3.817 1.00 0.00 C ATOM 1781 O GLY B 9 6.957 13.923 -4.967 1.00 0.00 O ATOM 0 H GLY B 9 9.223 11.550 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.323 11.432 -3.849 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.268 11.889 -2.445 1.00 0.00 H new ATOM 1785 N PRO B 10 6.616 14.360 -2.820 1.00 0.00 N ATOM 1786 CA PRO B 10 6.398 15.792 -3.079 1.00 0.00 C ATOM 1787 C PRO B 10 7.735 16.421 -3.510 1.00 0.00 C ATOM 1788 O PRO B 10 7.954 17.607 -3.366 1.00 0.00 O ATOM 1789 CB PRO B 10 5.909 16.374 -1.731 1.00 0.00 C ATOM 1790 CG PRO B 10 6.007 15.236 -0.672 1.00 0.00 C ATOM 1791 CD PRO B 10 6.496 13.964 -1.402 1.00 0.00 C ATOM 0 HA PRO B 10 5.675 15.987 -3.871 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.521 17.227 -1.436 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.883 16.732 -1.817 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.699 15.511 0.124 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.037 15.062 -0.205 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.452 13.624 -1.005 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.790 13.143 -1.280 1.00 0.00 H new ATOM 1799 N SER B 11 8.630 15.618 -4.027 1.00 0.00 N ATOM 1800 CA SER B 11 9.963 16.129 -4.461 1.00 0.00 C ATOM 1801 C SER B 11 9.923 16.490 -5.948 1.00 0.00 C ATOM 1802 O SER B 11 10.835 17.103 -6.466 1.00 0.00 O ATOM 1803 CB SER B 11 11.013 15.035 -4.238 1.00 0.00 C ATOM 1804 OG SER B 11 12.260 15.468 -4.763 1.00 0.00 O ATOM 0 H SER B 11 8.491 14.617 -4.168 1.00 0.00 H new ATOM 0 HA SER B 11 10.217 17.017 -3.882 1.00 0.00 H new ATOM 0 HB2 SER B 11 11.109 14.818 -3.174 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.701 14.111 -4.725 1.00 0.00 H new ATOM 0 HG SER B 11 12.115 16.227 -5.366 1.00 0.00 H new