USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 115 GLN : amide:sc= 0.564! C(o=0.98!,f=-17!) USER MOD Set 1.2: B 118 LYS NZ :NH3+ -118:sc= 0.418 (180deg=0) USER MOD Set 2.1: B 114 TYR OH : rot 143:sc= 0.68 USER MOD Set 2.2: B 123 ASN : amide:sc= 0.189 K(o=0.87,f=-6!) USER MOD Set 3.1: A 33 GLN : amide:sc= 0.738 K(o=3,f=-0.32) USER MOD Set 3.2: B 113 SER OG : rot 47:sc= 2.22 USER MOD Set 4.1: A 11 SER OG : rot -137:sc= 0.509 USER MOD Set 4.2: B 102 LYS NZ :NH3+ 149:sc= 0.117! (180deg=-0.0236) USER MOD Set 5.1: A 31 THR OG1 : rot 100:sc= -0.317 USER MOD Set 5.2: B 131 THR OG1 : rot -155:sc= 0.0734 USER MOD Set 6.1: A 14 TYR OH : rot -30:sc= -0.921! USER MOD Set 6.2: A 23 ASN : amide:sc= -1.5 K(o=-2.4,f=-6.6!) USER MOD Set 7.1: A 13 SER OG : rot -56:sc= 0.461 USER MOD Set 7.2: B 133 GLN : amide:sc= 0.131 K(o=0.59,f=1.6) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.859 K(o=-0.86,f=-1.8) USER MOD Single : A 6 THR OG1 : rot -127:sc= -1.88! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00867) USER MOD Single : A 20 TYR OH : rot 107:sc= 1.16 USER MOD Single : A 25 SER OG : rot 180:sc= -0.176 USER MOD Single : A 29 SER OG : rot -92:sc= 0.126 USER MOD Single : A 30 THR OG1 : rot 61:sc= 1.05 USER MOD Single : A 32 MET CE :methyl -160:sc= -16.8! (180deg=-18!) USER MOD Single : A 34 ASN : amide:sc= -1.98 K(o=-2,f=-2.6!) USER MOD Single : B 103 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.5!) USER MOD Single : B 106 THR OG1 : rot -140:sc= -3! USER MOD Single : B 108 THR OG1 : rot -170:sc= -1.6! USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 120 TYR OH : rot 148:sc= 0.376 USER MOD Single : B 125 SER OG : rot 180:sc= -0.168 USER MOD Single : B 129 SER OG : rot 175:sc= -0.525 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl 134:sc= -18! (180deg=-23.1!) USER MOD Single : B 134 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.415 -13.178 -18.304 1.00 0.00 N ATOM 21 CA LYS A 2 -13.212 -12.661 -16.940 1.00 0.00 C ATOM 22 C LYS A 2 -11.966 -13.255 -16.270 1.00 0.00 C ATOM 23 O LYS A 2 -11.916 -14.451 -15.978 1.00 0.00 O ATOM 24 CB LYS A 2 -14.449 -12.933 -16.074 1.00 0.00 C ATOM 25 CG LYS A 2 -15.691 -12.168 -16.513 1.00 0.00 C ATOM 26 CD LYS A 2 -15.583 -10.679 -16.201 1.00 0.00 C ATOM 27 CE LYS A 2 -15.958 -10.372 -14.758 1.00 0.00 C ATOM 28 NZ LYS A 2 -17.434 -10.245 -14.572 1.00 0.00 N ATOM 0 HA LYS A 2 -13.057 -11.586 -17.028 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.666 -14.001 -16.094 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.221 -12.673 -15.040 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.841 -12.304 -17.584 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.567 -12.581 -16.013 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.564 -10.341 -16.391 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.234 -10.119 -16.872 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.579 -11.162 -14.110 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.474 -9.446 -14.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.641 -10.036 -13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.794 -9.474 -15.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.896 -11.137 -14.842 1.00 0.00 H new ATOM 42 N GLN A 3 -10.968 -12.407 -16.035 1.00 0.00 N ATOM 43 CA GLN A 3 -9.716 -12.832 -15.408 1.00 0.00 C ATOM 44 C GLN A 3 -9.732 -12.589 -13.910 1.00 0.00 C ATOM 45 O GLN A 3 -9.810 -11.451 -13.449 1.00 0.00 O ATOM 46 CB GLN A 3 -8.512 -12.111 -16.057 1.00 0.00 C ATOM 47 CG GLN A 3 -7.230 -12.190 -15.236 1.00 0.00 C ATOM 48 CD GLN A 3 -5.982 -11.918 -16.055 1.00 0.00 C ATOM 49 OE1 GLN A 3 -5.989 -11.103 -16.976 1.00 0.00 O ATOM 50 NE2 GLN A 3 -4.897 -12.595 -15.716 1.00 0.00 N ATOM 0 H GLN A 3 -11.001 -11.415 -16.270 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.614 -13.905 -15.570 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.329 -12.543 -17.041 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.769 -11.063 -16.212 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.284 -11.472 -14.418 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.154 -13.180 -14.786 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.932 -13.262 -14.946 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.025 -12.449 -16.225 1.00 0.00 H new ATOM 59 N ARG A 4 -9.665 -13.673 -13.148 1.00 0.00 N ATOM 60 CA ARG A 4 -9.692 -13.568 -11.712 1.00 0.00 C ATOM 61 C ARG A 4 -8.348 -13.174 -11.118 1.00 0.00 C ATOM 62 O ARG A 4 -7.473 -14.011 -10.896 1.00 0.00 O ATOM 63 CB ARG A 4 -10.152 -14.875 -11.105 1.00 0.00 C ATOM 64 CG ARG A 4 -11.126 -14.667 -9.976 1.00 0.00 C ATOM 65 CD ARG A 4 -11.564 -15.991 -9.402 1.00 0.00 C ATOM 66 NE ARG A 4 -12.640 -16.619 -10.183 1.00 0.00 N ATOM 67 CZ ARG A 4 -13.880 -16.162 -10.255 1.00 0.00 C ATOM 68 NH1 ARG A 4 -14.225 -15.062 -9.632 1.00 0.00 N ATOM 69 NH2 ARG A 4 -14.780 -16.816 -10.959 1.00 0.00 N ATOM 0 H ARG A 4 -9.592 -14.625 -13.506 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.395 -12.771 -11.470 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.618 -15.488 -11.877 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -9.287 -15.428 -10.739 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.663 -14.062 -9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -11.995 -14.115 -10.335 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.709 -16.666 -9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.903 -15.844 -8.377 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.415 -17.466 -10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -13.535 -14.548 -9.084 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.184 -14.720 -9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.521 -17.673 -11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.736 -16.466 -11.016 1.00 0.00 H new ATOM 83 N ILE A 5 -8.235 -11.897 -10.799 1.00 0.00 N ATOM 84 CA ILE A 5 -7.052 -11.359 -10.150 1.00 0.00 C ATOM 85 C ILE A 5 -7.408 -11.162 -8.703 1.00 0.00 C ATOM 86 O ILE A 5 -8.475 -10.617 -8.399 1.00 0.00 O ATOM 87 CB ILE A 5 -6.592 -10.017 -10.758 1.00 0.00 C ATOM 88 CG1 ILE A 5 -7.253 -8.843 -10.016 1.00 0.00 C ATOM 89 CG2 ILE A 5 -6.927 -9.992 -12.236 1.00 0.00 C ATOM 90 CD1 ILE A 5 -6.967 -7.484 -10.606 1.00 0.00 C ATOM 0 H ILE A 5 -8.960 -11.204 -10.982 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.222 -12.053 -10.284 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.513 -9.915 -10.646 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.332 -8.999 -10.004 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.918 -8.852 -8.979 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.603 -9.045 -12.667 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.416 -10.813 -12.739 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.004 -10.100 -12.367 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.473 -6.718 -10.018 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.893 -7.300 -10.593 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.328 -7.450 -11.634 1.00 0.00 H new ATOM 102 N THR A 6 -6.582 -11.640 -7.804 1.00 0.00 N ATOM 103 CA THR A 6 -6.930 -11.521 -6.411 1.00 0.00 C ATOM 104 C THR A 6 -5.809 -10.936 -5.537 1.00 0.00 C ATOM 105 O THR A 6 -4.689 -11.445 -5.510 1.00 0.00 O ATOM 106 CB THR A 6 -7.444 -12.878 -5.892 1.00 0.00 C ATOM 107 OG1 THR A 6 -6.939 -13.166 -4.605 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.107 -14.055 -6.790 1.00 0.00 C ATOM 0 H THR A 6 -5.693 -12.100 -8.002 1.00 0.00 H new ATOM 0 HA THR A 6 -7.732 -10.787 -6.334 1.00 0.00 H new ATOM 0 HB THR A 6 -8.528 -12.761 -5.872 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.519 -14.052 -4.609 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.504 -14.971 -6.353 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.550 -13.900 -7.774 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.025 -14.139 -6.888 1.00 0.00 H new ATOM 116 N VAL A 7 -6.171 -9.887 -4.773 1.00 0.00 N ATOM 117 CA VAL A 7 -5.286 -9.215 -3.815 1.00 0.00 C ATOM 118 C VAL A 7 -5.622 -9.707 -2.404 1.00 0.00 C ATOM 119 O VAL A 7 -6.718 -9.437 -1.911 1.00 0.00 O ATOM 120 CB VAL A 7 -5.450 -7.652 -3.899 1.00 0.00 C ATOM 121 CG1 VAL A 7 -5.642 -6.955 -2.530 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.273 -7.055 -4.633 1.00 0.00 C ATOM 0 H VAL A 7 -7.105 -9.479 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.250 -9.454 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.374 -7.472 -4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.747 -5.881 -2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.539 -7.343 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.776 -7.150 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.390 -5.973 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.353 -7.293 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.225 -7.468 -5.641 1.00 0.00 H new ATOM 132 N THR A 8 -4.725 -10.444 -1.750 1.00 0.00 N ATOM 133 CA THR A 8 -5.016 -10.931 -0.404 1.00 0.00 C ATOM 134 C THR A 8 -4.999 -9.770 0.600 1.00 0.00 C ATOM 135 O THR A 8 -3.984 -9.490 1.243 1.00 0.00 O ATOM 136 CB THR A 8 -4.060 -12.046 0.005 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.746 -11.809 -0.461 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.495 -13.405 -0.495 1.00 0.00 C ATOM 0 H THR A 8 -3.813 -10.712 -2.119 1.00 0.00 H new ATOM 0 HA THR A 8 -6.018 -11.360 -0.405 1.00 0.00 H new ATOM 0 HB THR A 8 -4.077 -12.046 1.095 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.161 -12.543 -0.179 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.776 -14.158 -0.173 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.478 -13.645 -0.089 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.545 -13.393 -1.584 1.00 0.00 H new ATOM 146 N VAL A 9 -6.148 -9.104 0.699 1.00 0.00 N ATOM 147 CA VAL A 9 -6.359 -7.951 1.581 1.00 0.00 C ATOM 148 C VAL A 9 -6.432 -8.335 3.057 1.00 0.00 C ATOM 149 O VAL A 9 -5.960 -9.401 3.447 1.00 0.00 O ATOM 150 CB VAL A 9 -7.657 -7.225 1.202 1.00 0.00 C ATOM 151 CG1 VAL A 9 -7.671 -6.918 -0.277 1.00 0.00 C ATOM 152 CG2 VAL A 9 -8.872 -8.052 1.586 1.00 0.00 C ATOM 0 H VAL A 9 -6.977 -9.353 0.159 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.495 -7.301 1.444 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.699 -6.286 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.597 -6.403 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.821 -6.282 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.605 -7.848 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.780 -7.516 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.841 -9.009 1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.869 -8.225 2.662 1.00 0.00 H new ATOM 162 N ASP A 10 -6.987 -7.420 3.881 1.00 0.00 N ATOM 163 CA ASP A 10 -7.095 -7.601 5.333 1.00 0.00 C ATOM 164 C ASP A 10 -5.787 -7.159 5.999 1.00 0.00 C ATOM 165 O ASP A 10 -5.767 -6.756 7.161 1.00 0.00 O ATOM 166 CB ASP A 10 -7.452 -9.048 5.696 1.00 0.00 C ATOM 167 CG ASP A 10 -7.496 -9.287 7.188 1.00 0.00 C ATOM 168 OD1 ASP A 10 -6.412 -9.433 7.792 1.00 0.00 O ATOM 169 OD2 ASP A 10 -8.605 -9.359 7.755 1.00 0.00 O ATOM 0 H ASP A 10 -7.372 -6.535 3.551 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.908 -6.978 5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.422 -9.297 5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.721 -9.721 5.247 1.00 0.00 H new ATOM 174 N SER A 11 -4.710 -7.186 5.215 1.00 0.00 N ATOM 175 CA SER A 11 -3.405 -6.749 5.671 1.00 0.00 C ATOM 176 C SER A 11 -3.180 -5.304 5.243 1.00 0.00 C ATOM 177 O SER A 11 -3.209 -4.400 6.074 1.00 0.00 O ATOM 178 CB SER A 11 -2.303 -7.655 5.107 1.00 0.00 C ATOM 179 OG SER A 11 -1.256 -7.848 6.054 1.00 0.00 O ATOM 0 H SER A 11 -4.725 -7.512 4.249 1.00 0.00 H new ATOM 0 HA SER A 11 -3.366 -6.813 6.758 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.728 -8.620 4.831 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.896 -7.213 4.197 1.00 0.00 H new ATOM 0 HG SER A 11 -0.389 -7.781 5.602 1.00 0.00 H new ATOM 185 N ASP A 12 -2.892 -5.105 3.953 1.00 0.00 N ATOM 186 CA ASP A 12 -2.591 -3.783 3.425 1.00 0.00 C ATOM 187 C ASP A 12 -3.640 -2.704 3.781 1.00 0.00 C ATOM 188 O ASP A 12 -3.466 -2.000 4.775 1.00 0.00 O ATOM 189 CB ASP A 12 -2.394 -3.893 1.929 1.00 0.00 C ATOM 190 CG ASP A 12 -1.085 -4.549 1.548 1.00 0.00 C ATOM 191 OD1 ASP A 12 -0.768 -5.624 2.102 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.391 -3.989 0.673 1.00 0.00 O ATOM 0 H ASP A 12 -2.863 -5.850 3.257 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.675 -3.439 3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.218 -4.465 1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.435 -2.897 1.489 1.00 0.00 H new ATOM 197 N SER A 13 -4.711 -2.532 2.974 1.00 0.00 N ATOM 198 CA SER A 13 -5.718 -1.486 3.263 1.00 0.00 C ATOM 199 C SER A 13 -6.896 -1.514 2.261 1.00 0.00 C ATOM 200 O SER A 13 -7.378 -0.471 1.817 1.00 0.00 O ATOM 201 CB SER A 13 -5.047 -0.116 3.208 1.00 0.00 C ATOM 202 OG SER A 13 -5.814 0.867 3.893 1.00 0.00 O ATOM 0 H SER A 13 -4.898 -3.087 2.139 1.00 0.00 H new ATOM 0 HA SER A 13 -6.123 -1.681 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.053 -0.178 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.914 0.184 2.169 1.00 0.00 H new ATOM 0 HG SER A 13 -6.720 0.893 3.520 1.00 0.00 H new ATOM 208 N TYR A 14 -7.357 -2.716 1.933 1.00 0.00 N ATOM 209 CA TYR A 14 -8.480 -2.909 1.002 1.00 0.00 C ATOM 210 C TYR A 14 -9.852 -2.771 1.674 1.00 0.00 C ATOM 211 O TYR A 14 -10.780 -2.211 1.086 1.00 0.00 O ATOM 212 CB TYR A 14 -8.383 -4.278 0.365 1.00 0.00 C ATOM 213 CG TYR A 14 -9.729 -4.915 0.157 1.00 0.00 C ATOM 214 CD1 TYR A 14 -10.334 -5.648 1.162 1.00 0.00 C ATOM 215 CD2 TYR A 14 -10.396 -4.758 -1.033 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.572 -6.214 0.981 1.00 0.00 C ATOM 217 CE2 TYR A 14 -11.635 -5.308 -1.226 1.00 0.00 C ATOM 218 CZ TYR A 14 -12.226 -6.041 -0.219 1.00 0.00 C ATOM 219 OH TYR A 14 -13.472 -6.588 -0.414 1.00 0.00 O ATOM 0 H TYR A 14 -6.969 -3.585 2.299 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.403 -2.121 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.873 -4.193 -0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.772 -4.925 0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.824 -5.777 2.105 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.936 -4.192 -1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.029 -6.790 1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.149 -5.168 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.557 -7.407 0.117 1.00 0.00 H new ATOM 229 N GLN A 15 -10.002 -3.371 2.860 1.00 0.00 N ATOM 230 CA GLN A 15 -11.295 -3.408 3.547 1.00 0.00 C ATOM 231 C GLN A 15 -12.008 -2.053 3.614 1.00 0.00 C ATOM 232 O GLN A 15 -13.223 -2.017 3.498 1.00 0.00 O ATOM 233 CB GLN A 15 -11.131 -3.979 4.957 1.00 0.00 C ATOM 234 CG GLN A 15 -10.355 -5.288 5.005 1.00 0.00 C ATOM 235 CD GLN A 15 -10.695 -6.123 6.223 1.00 0.00 C ATOM 236 OE1 GLN A 15 -10.206 -5.865 7.315 1.00 0.00 O ATOM 237 NE2 GLN A 15 -11.536 -7.129 6.038 1.00 0.00 N ATOM 0 H GLN A 15 -9.246 -3.836 3.362 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.931 -4.058 2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.622 -3.243 5.580 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.118 -4.137 5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.566 -5.864 4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.286 -5.073 5.003 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.920 -7.309 5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.800 -7.724 6.823 1.00 0.00 H new ATOM 246 N LEU A 16 -11.296 -0.949 3.806 1.00 0.00 N ATOM 247 CA LEU A 16 -11.964 0.360 3.874 1.00 0.00 C ATOM 248 C LEU A 16 -12.758 0.661 2.590 1.00 0.00 C ATOM 249 O LEU A 16 -13.950 0.954 2.645 1.00 0.00 O ATOM 250 CB LEU A 16 -10.950 1.481 4.114 1.00 0.00 C ATOM 251 CG LEU A 16 -11.228 2.362 5.337 1.00 0.00 C ATOM 252 CD1 LEU A 16 -9.997 3.178 5.704 1.00 0.00 C ATOM 253 CD2 LEU A 16 -12.413 3.279 5.074 1.00 0.00 C ATOM 0 H LEU A 16 -10.282 -0.924 3.916 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.660 0.316 4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.961 1.037 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.918 2.116 3.229 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.471 1.712 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.216 3.796 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.171 2.506 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.721 3.817 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.597 3.897 5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.195 3.919 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.298 2.679 4.862 1.00 0.00 H new ATOM 265 N LEU A 17 -12.066 0.621 1.449 1.00 0.00 N ATOM 266 CA LEU A 17 -12.714 0.931 0.160 1.00 0.00 C ATOM 267 C LEU A 17 -14.038 0.182 0.000 1.00 0.00 C ATOM 268 O LEU A 17 -15.069 0.764 -0.346 1.00 0.00 O ATOM 269 CB LEU A 17 -11.803 0.616 -1.010 1.00 0.00 C ATOM 270 CG LEU A 17 -11.335 1.838 -1.803 1.00 0.00 C ATOM 271 CD1 LEU A 17 -12.396 2.255 -2.803 1.00 0.00 C ATOM 272 CD2 LEU A 17 -11.001 2.983 -0.870 1.00 0.00 C ATOM 0 H LEU A 17 -11.076 0.383 1.384 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.920 2.001 0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.927 0.084 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.324 -0.061 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.431 1.570 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.049 3.125 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.587 1.434 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.316 2.505 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.670 3.843 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.886 3.254 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.206 2.678 -0.190 1.00 0.00 H new ATOM 284 N LYS A 18 -13.995 -1.104 0.281 1.00 0.00 N ATOM 285 CA LYS A 18 -15.175 -1.963 0.202 1.00 0.00 C ATOM 286 C LYS A 18 -16.078 -1.738 1.409 1.00 0.00 C ATOM 287 O LYS A 18 -17.293 -1.915 1.342 1.00 0.00 O ATOM 288 CB LYS A 18 -14.747 -3.425 0.133 1.00 0.00 C ATOM 289 CG LYS A 18 -13.903 -3.824 1.320 1.00 0.00 C ATOM 290 CD LYS A 18 -14.443 -5.077 1.999 1.00 0.00 C ATOM 291 CE LYS A 18 -14.263 -5.026 3.509 1.00 0.00 C ATOM 292 NZ LYS A 18 -15.551 -4.775 4.213 1.00 0.00 N ATOM 0 H LYS A 18 -13.146 -1.590 0.571 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.733 -1.711 -0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.632 -4.060 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.185 -3.595 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.877 -3.999 0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.874 -3.004 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.501 -5.190 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.932 -5.954 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.837 -5.967 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.551 -4.241 3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.374 -4.663 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.987 -3.908 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.193 -5.579 4.060 1.00 0.00 H new ATOM 306 N ALA A 19 -15.455 -1.319 2.502 1.00 0.00 N ATOM 307 CA ALA A 19 -16.160 -1.023 3.741 1.00 0.00 C ATOM 308 C ALA A 19 -17.069 0.176 3.543 1.00 0.00 C ATOM 309 O ALA A 19 -18.101 0.288 4.203 1.00 0.00 O ATOM 310 CB ALA A 19 -15.184 -0.764 4.881 1.00 0.00 C ATOM 0 H ALA A 19 -14.447 -1.175 2.554 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.763 -1.891 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.740 -0.546 5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.564 -1.647 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.549 0.086 4.631 1.00 0.00 H new ATOM 316 N TYR A 20 -16.703 1.062 2.611 1.00 0.00 N ATOM 317 CA TYR A 20 -17.531 2.213 2.339 1.00 0.00 C ATOM 318 C TYR A 20 -18.578 1.853 1.285 1.00 0.00 C ATOM 319 O TYR A 20 -19.735 2.220 1.461 1.00 0.00 O ATOM 320 CB TYR A 20 -16.699 3.482 2.023 1.00 0.00 C ATOM 321 CG TYR A 20 -16.153 3.664 0.615 1.00 0.00 C ATOM 322 CD1 TYR A 20 -16.931 3.465 -0.517 1.00 0.00 C ATOM 323 CD2 TYR A 20 -14.837 4.090 0.431 1.00 0.00 C ATOM 324 CE1 TYR A 20 -16.416 3.677 -1.781 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.321 4.296 -0.827 1.00 0.00 C ATOM 326 CZ TYR A 20 -15.111 4.087 -1.928 1.00 0.00 C ATOM 327 OH TYR A 20 -14.602 4.312 -3.183 1.00 0.00 O ATOM 0 H TYR A 20 -15.854 0.997 2.049 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.076 2.487 3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.318 4.349 2.252 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -15.854 3.503 2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.955 3.139 -0.408 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -14.211 4.261 1.294 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.036 3.521 -2.651 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.298 4.621 -0.947 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.506 5.276 -3.329 1.00 0.00 H new ATOM 337 N ASP A 21 -18.191 1.074 0.240 1.00 0.00 N ATOM 338 CA ASP A 21 -19.158 0.605 -0.790 1.00 0.00 C ATOM 339 C ASP A 21 -18.522 0.378 -2.164 1.00 0.00 C ATOM 340 O ASP A 21 -19.223 0.404 -3.178 1.00 0.00 O ATOM 341 CB ASP A 21 -20.336 1.580 -0.951 1.00 0.00 C ATOM 342 CG ASP A 21 -21.617 1.058 -0.329 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.863 -0.167 -0.407 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.379 1.872 0.227 1.00 0.00 O ATOM 0 H ASP A 21 -17.232 0.761 0.089 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.516 -0.355 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.077 2.535 -0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -20.503 1.770 -2.011 1.00 0.00 H new ATOM 349 N VAL A 22 -17.211 0.177 -2.215 1.00 0.00 N ATOM 350 CA VAL A 22 -16.534 -0.010 -3.487 1.00 0.00 C ATOM 351 C VAL A 22 -15.240 -0.775 -3.328 1.00 0.00 C ATOM 352 O VAL A 22 -14.181 -0.182 -3.128 1.00 0.00 O ATOM 353 CB VAL A 22 -16.232 1.369 -4.103 1.00 0.00 C ATOM 354 CG1 VAL A 22 -15.344 1.249 -5.335 1.00 0.00 C ATOM 355 CG2 VAL A 22 -17.517 2.103 -4.443 1.00 0.00 C ATOM 0 H VAL A 22 -16.602 0.140 -1.397 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.190 -0.590 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.689 1.948 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.152 2.241 -5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.399 0.781 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.845 0.639 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.278 3.074 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.092 1.517 -5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -18.105 2.245 -3.537 1.00 0.00 H new ATOM 365 N ASN A 23 -15.329 -2.096 -3.418 1.00 0.00 N ATOM 366 CA ASN A 23 -14.150 -2.929 -3.310 1.00 0.00 C ATOM 367 C ASN A 23 -13.207 -2.541 -4.461 1.00 0.00 C ATOM 368 O ASN A 23 -12.513 -1.532 -4.380 1.00 0.00 O ATOM 369 CB ASN A 23 -14.538 -4.426 -3.339 1.00 0.00 C ATOM 370 CG ASN A 23 -15.757 -4.742 -2.481 1.00 0.00 C ATOM 371 OD1 ASN A 23 -16.802 -4.111 -2.617 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.632 -5.719 -1.593 1.00 0.00 N ATOM 0 H ASN A 23 -16.200 -2.605 -3.564 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.640 -2.771 -2.360 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.738 -4.724 -4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.693 -5.021 -2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.420 -5.968 -0.995 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.748 -6.221 -1.508 1.00 0.00 H new ATOM 379 N ILE A 24 -13.179 -3.310 -5.535 1.00 0.00 N ATOM 380 CA ILE A 24 -12.301 -2.952 -6.647 1.00 0.00 C ATOM 381 C ILE A 24 -12.834 -3.301 -8.026 1.00 0.00 C ATOM 382 O ILE A 24 -12.114 -3.131 -9.007 1.00 0.00 O ATOM 383 CB ILE A 24 -10.891 -3.545 -6.514 1.00 0.00 C ATOM 384 CG1 ILE A 24 -10.831 -4.527 -5.372 1.00 0.00 C ATOM 385 CG2 ILE A 24 -9.862 -2.447 -6.314 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.866 -5.599 -5.512 1.00 0.00 C ATOM 0 H ILE A 24 -13.731 -4.158 -5.665 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.259 -1.865 -6.571 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.660 -4.073 -7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.840 -4.980 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.978 -3.999 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.870 -2.890 -6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.880 -1.771 -7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.096 -1.890 -5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.792 -6.288 -4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.858 -5.147 -5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.703 -6.143 -6.442 1.00 0.00 H new ATOM 398 N SER A 25 -14.062 -3.798 -8.115 1.00 0.00 N ATOM 399 CA SER A 25 -14.597 -4.167 -9.433 1.00 0.00 C ATOM 400 C SER A 25 -14.260 -3.053 -10.434 1.00 0.00 C ATOM 401 O SER A 25 -13.456 -3.239 -11.365 1.00 0.00 O ATOM 402 CB SER A 25 -16.113 -4.387 -9.373 1.00 0.00 C ATOM 403 OG SER A 25 -16.789 -3.196 -8.998 1.00 0.00 O ATOM 0 H SER A 25 -14.691 -3.953 -7.327 1.00 0.00 H new ATOM 0 HA SER A 25 -14.141 -5.104 -9.752 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.473 -4.722 -10.345 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.341 -5.178 -8.659 1.00 0.00 H new ATOM 0 HG SER A 25 -17.754 -3.363 -8.969 1.00 0.00 H new ATOM 409 N GLY A 26 -14.836 -1.877 -10.195 1.00 0.00 N ATOM 410 CA GLY A 26 -14.563 -0.722 -11.031 1.00 0.00 C ATOM 411 C GLY A 26 -13.315 0.015 -10.576 1.00 0.00 C ATOM 412 O GLY A 26 -12.631 0.640 -11.386 1.00 0.00 O ATOM 0 H GLY A 26 -15.491 -1.704 -9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.440 -1.042 -12.066 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.416 -0.044 -11.006 1.00 0.00 H new ATOM 416 N LEU A 27 -13.013 -0.065 -9.272 1.00 0.00 N ATOM 417 CA LEU A 27 -11.839 0.585 -8.706 1.00 0.00 C ATOM 418 C LEU A 27 -10.570 0.087 -9.375 1.00 0.00 C ATOM 419 O LEU A 27 -9.831 0.871 -9.955 1.00 0.00 O ATOM 420 CB LEU A 27 -11.754 0.310 -7.205 1.00 0.00 C ATOM 421 CG LEU A 27 -11.235 1.446 -6.325 1.00 0.00 C ATOM 422 CD1 LEU A 27 -10.016 0.972 -5.561 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.911 2.685 -7.145 1.00 0.00 C ATOM 0 H LEU A 27 -13.574 -0.578 -8.592 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.935 1.657 -8.878 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.748 0.035 -6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.111 -0.557 -7.054 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.018 1.725 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.644 1.781 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.287 0.121 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.239 0.672 -6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.545 3.472 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.145 2.443 -7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.811 3.029 -7.656 1.00 0.00 H new ATOM 435 N VAL A 28 -10.319 -1.223 -9.291 1.00 0.00 N ATOM 436 CA VAL A 28 -9.129 -1.796 -9.904 1.00 0.00 C ATOM 437 C VAL A 28 -9.046 -1.378 -11.369 1.00 0.00 C ATOM 438 O VAL A 28 -8.124 -0.692 -11.757 1.00 0.00 O ATOM 439 CB VAL A 28 -9.095 -3.337 -9.755 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.386 -4.009 -10.923 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.413 -3.700 -8.452 1.00 0.00 C ATOM 0 H VAL A 28 -10.918 -1.894 -8.810 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.254 -1.409 -9.381 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.123 -3.698 -9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.386 -5.089 -10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.905 -3.769 -11.851 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.358 -3.651 -10.980 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.388 -4.784 -8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.395 -3.312 -8.454 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.965 -3.266 -7.619 1.00 0.00 H new ATOM 451 N SER A 29 -10.031 -1.762 -12.164 1.00 0.00 N ATOM 452 CA SER A 29 -10.070 -1.397 -13.582 1.00 0.00 C ATOM 453 C SER A 29 -9.867 0.106 -13.823 1.00 0.00 C ATOM 454 O SER A 29 -9.138 0.492 -14.738 1.00 0.00 O ATOM 455 CB SER A 29 -11.401 -1.821 -14.170 1.00 0.00 C ATOM 456 OG SER A 29 -12.485 -1.423 -13.340 1.00 0.00 O ATOM 0 H SER A 29 -10.821 -2.329 -11.855 1.00 0.00 H new ATOM 0 HA SER A 29 -9.243 -1.914 -14.069 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.519 -1.382 -15.161 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.416 -2.903 -14.297 1.00 0.00 H new ATOM 0 HG SER A 29 -12.704 -2.148 -12.718 1.00 0.00 H new ATOM 462 N THR A 30 -10.508 0.948 -13.007 1.00 0.00 N ATOM 463 CA THR A 30 -10.387 2.395 -13.149 1.00 0.00 C ATOM 464 C THR A 30 -9.010 2.829 -12.716 1.00 0.00 C ATOM 465 O THR A 30 -8.292 3.505 -13.455 1.00 0.00 O ATOM 466 CB THR A 30 -11.443 3.111 -12.306 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.742 2.699 -12.676 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.392 4.618 -12.420 1.00 0.00 C ATOM 0 H THR A 30 -11.114 0.649 -12.243 1.00 0.00 H new ATOM 0 HA THR A 30 -10.544 2.658 -14.195 1.00 0.00 H new ATOM 0 HB THR A 30 -11.216 2.837 -11.276 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.836 1.736 -12.523 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.170 5.057 -11.795 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.417 4.975 -12.090 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.553 4.910 -13.458 1.00 0.00 H new ATOM 476 N THR A 31 -8.641 2.427 -11.507 1.00 0.00 N ATOM 477 CA THR A 31 -7.346 2.764 -10.972 1.00 0.00 C ATOM 478 C THR A 31 -6.245 2.215 -11.876 1.00 0.00 C ATOM 479 O THR A 31 -5.257 2.898 -12.157 1.00 0.00 O ATOM 480 CB THR A 31 -7.185 2.268 -9.533 1.00 0.00 C ATOM 481 OG1 THR A 31 -6.398 3.178 -8.790 1.00 0.00 O ATOM 482 CG2 THR A 31 -6.535 0.909 -9.414 1.00 0.00 C ATOM 0 H THR A 31 -9.226 1.868 -10.885 1.00 0.00 H new ATOM 0 HA THR A 31 -7.260 3.850 -10.945 1.00 0.00 H new ATOM 0 HB THR A 31 -8.201 2.189 -9.146 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.982 3.750 -8.249 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.459 0.633 -8.362 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.138 0.170 -9.941 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.538 0.943 -9.853 1.00 0.00 H new ATOM 490 N MET A 32 -6.450 0.984 -12.353 1.00 0.00 N ATOM 491 CA MET A 32 -5.516 0.332 -13.252 1.00 0.00 C ATOM 492 C MET A 32 -5.295 1.206 -14.471 1.00 0.00 C ATOM 493 O MET A 32 -4.167 1.528 -14.796 1.00 0.00 O ATOM 494 CB MET A 32 -6.032 -1.047 -13.676 1.00 0.00 C ATOM 495 CG MET A 32 -6.051 -2.069 -12.549 1.00 0.00 C ATOM 496 SD MET A 32 -5.132 -3.558 -12.942 1.00 0.00 S ATOM 497 CE MET A 32 -5.022 -4.303 -11.333 1.00 0.00 C ATOM 0 H MET A 32 -7.268 0.420 -12.123 1.00 0.00 H new ATOM 0 HA MET A 32 -4.570 0.189 -12.729 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.041 -0.940 -14.074 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.408 -1.425 -14.486 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.634 -1.618 -11.649 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.084 -2.334 -12.323 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.206 -5.025 -11.322 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.834 -3.531 -10.587 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.959 -4.810 -11.102 1.00 0.00 H new ATOM 507 N GLN A 33 -6.379 1.613 -15.132 1.00 0.00 N ATOM 508 CA GLN A 33 -6.271 2.483 -16.302 1.00 0.00 C ATOM 509 C GLN A 33 -5.457 3.725 -15.959 1.00 0.00 C ATOM 510 O GLN A 33 -4.448 4.008 -16.598 1.00 0.00 O ATOM 511 CB GLN A 33 -7.654 2.910 -16.794 1.00 0.00 C ATOM 512 CG GLN A 33 -8.418 1.830 -17.543 1.00 0.00 C ATOM 513 CD GLN A 33 -9.584 2.389 -18.338 1.00 0.00 C ATOM 514 OE1 GLN A 33 -9.804 3.598 -18.376 1.00 0.00 O ATOM 515 NE2 GLN A 33 -10.336 1.519 -18.985 1.00 0.00 N ATOM 0 H GLN A 33 -7.334 1.357 -14.880 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.772 1.922 -17.092 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.248 3.230 -15.938 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.542 3.777 -17.446 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.738 1.310 -18.218 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.788 1.091 -16.832 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.124 0.523 -18.931 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.129 1.843 -19.539 1.00 0.00 H new ATOM 524 N ASN A 34 -5.904 4.457 -14.937 1.00 0.00 N ATOM 525 CA ASN A 34 -5.213 5.671 -14.502 1.00 0.00 C ATOM 526 C ASN A 34 -3.742 5.376 -14.206 1.00 0.00 C ATOM 527 O ASN A 34 -2.855 6.021 -14.774 1.00 0.00 O ATOM 528 CB ASN A 34 -5.939 6.295 -13.293 1.00 0.00 C ATOM 529 CG ASN A 34 -5.059 6.497 -12.075 1.00 0.00 C ATOM 530 OD1 ASN A 34 -4.026 7.154 -12.143 1.00 0.00 O ATOM 531 ND2 ASN A 34 -5.475 5.947 -10.947 1.00 0.00 N ATOM 0 H ASN A 34 -6.739 4.231 -14.397 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.235 6.404 -15.309 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.355 7.258 -13.591 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.779 5.656 -13.019 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.931 6.062 -10.092 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.340 5.407 -10.932 1.00 0.00 H new ATOM 538 N GLU A 35 -3.479 4.380 -13.358 1.00 0.00 N ATOM 539 CA GLU A 35 -2.102 4.003 -13.049 1.00 0.00 C ATOM 540 C GLU A 35 -1.431 3.415 -14.290 1.00 0.00 C ATOM 541 O GLU A 35 -0.214 3.453 -14.419 1.00 0.00 O ATOM 542 CB GLU A 35 -2.035 3.009 -11.885 1.00 0.00 C ATOM 543 CG GLU A 35 -0.900 3.300 -10.904 1.00 0.00 C ATOM 544 CD GLU A 35 0.465 3.397 -11.571 1.00 0.00 C ATOM 545 OE1 GLU A 35 1.122 2.349 -11.733 1.00 0.00 O ATOM 546 OE2 GLU A 35 0.880 4.523 -11.918 1.00 0.00 O ATOM 0 H GLU A 35 -4.191 3.828 -12.880 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.568 4.903 -12.743 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.983 3.026 -11.348 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.912 2.002 -12.283 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.110 4.235 -10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.872 2.515 -10.149 1.00 0.00 H new ATOM 553 N ALA A 36 -2.234 2.901 -15.221 1.00 0.00 N ATOM 554 CA ALA A 36 -1.720 2.345 -16.463 1.00 0.00 C ATOM 555 C ALA A 36 -1.232 3.473 -17.360 1.00 0.00 C ATOM 556 O ALA A 36 -0.121 3.423 -17.881 1.00 0.00 O ATOM 557 CB ALA A 36 -2.796 1.528 -17.159 1.00 0.00 C ATOM 0 H ALA A 36 -3.249 2.860 -15.133 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.883 1.682 -16.244 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.398 1.118 -18.087 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.112 0.713 -16.508 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.651 2.167 -17.382 1.00 0.00 H new ATOM 563 N ARG A 37 -2.059 4.513 -17.506 1.00 0.00 N ATOM 564 CA ARG A 37 -1.668 5.677 -18.303 1.00 0.00 C ATOM 565 C ARG A 37 -0.466 6.318 -17.657 1.00 0.00 C ATOM 566 O ARG A 37 0.548 6.580 -18.303 1.00 0.00 O ATOM 567 CB ARG A 37 -2.758 6.744 -18.361 1.00 0.00 C ATOM 568 CG ARG A 37 -4.162 6.230 -18.088 1.00 0.00 C ATOM 569 CD ARG A 37 -5.222 7.171 -18.626 1.00 0.00 C ATOM 570 NE ARG A 37 -5.775 6.700 -19.901 1.00 0.00 N ATOM 571 CZ ARG A 37 -5.296 7.021 -21.099 1.00 0.00 C ATOM 572 NH1 ARG A 37 -4.271 7.844 -21.219 1.00 0.00 N ATOM 573 NH2 ARG A 37 -5.857 6.522 -22.183 1.00 0.00 N ATOM 0 H ARG A 37 -2.988 4.572 -17.090 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.469 5.321 -19.314 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.524 7.524 -17.636 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.741 7.209 -19.347 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.284 5.247 -18.543 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.300 6.103 -17.014 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.025 7.269 -17.896 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.792 8.163 -18.761 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.585 6.082 -19.866 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.836 8.242 -20.387 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.914 8.082 -22.144 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.655 5.892 -22.100 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.493 6.766 -23.104 1.00 0.00 H new ATOM 587 N ARG A 38 -0.611 6.577 -16.360 1.00 0.00 N ATOM 588 CA ARG A 38 0.447 7.196 -15.596 1.00 0.00 C ATOM 589 C ARG A 38 1.700 6.311 -15.615 1.00 0.00 C ATOM 590 O ARG A 38 2.786 6.771 -15.962 1.00 0.00 O ATOM 591 CB ARG A 38 -0.007 7.466 -14.155 1.00 0.00 C ATOM 592 CG ARG A 38 -1.162 8.453 -14.051 1.00 0.00 C ATOM 593 CD ARG A 38 -0.734 9.757 -13.392 1.00 0.00 C ATOM 594 NE ARG A 38 -0.037 10.642 -14.332 1.00 0.00 N ATOM 595 CZ ARG A 38 0.294 11.905 -14.073 1.00 0.00 C ATOM 596 NH1 ARG A 38 0.000 12.457 -12.909 1.00 0.00 N ATOM 597 NH2 ARG A 38 0.921 12.615 -14.990 1.00 0.00 N ATOM 0 H ARG A 38 -1.453 6.365 -15.825 1.00 0.00 H new ATOM 0 HA ARG A 38 0.691 8.154 -16.055 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.304 6.524 -13.694 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.838 7.848 -13.583 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.554 8.660 -15.047 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.973 8.005 -13.477 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.611 10.268 -12.995 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.082 9.539 -12.546 1.00 0.00 H new ATOM 0 HE ARG A 38 0.211 10.264 -15.246 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.487 11.914 -12.196 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.260 13.426 -12.724 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.150 12.196 -15.891 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.178 13.583 -14.798 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.666 -12.362 6.310 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.588 -12.079 4.867 1.00 0.00 C ATOM 1186 C LYS B 102 -6.884 -12.440 4.142 1.00 0.00 C ATOM 1187 O LYS B 102 -7.257 -13.614 4.058 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.413 -12.828 4.228 1.00 0.00 C ATOM 1189 CG LYS B 102 -3.197 -11.950 3.967 1.00 0.00 C ATOM 1190 CD LYS B 102 -2.679 -11.310 5.249 1.00 0.00 C ATOM 1191 CE LYS B 102 -1.268 -10.767 5.076 1.00 0.00 C ATOM 1192 NZ LYS B 102 -0.764 -10.119 6.322 1.00 0.00 N ATOM 0 HA LYS B 102 -5.431 -11.005 4.763 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.122 -13.652 4.879 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.742 -13.267 3.286 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.407 -12.548 3.514 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -3.458 -11.171 3.251 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -3.346 -10.501 5.548 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -2.690 -12.046 6.053 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -0.599 -11.579 4.793 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -1.255 -10.044 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 0.268 -10.234 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -0.999 -9.106 6.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -1.209 -10.565 7.150 1.00 0.00 H new ATOM 1206 N GLN B 103 -7.554 -11.424 3.611 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.800 -11.618 2.888 1.00 0.00 C ATOM 1208 C GLN B 103 -8.539 -11.611 1.396 1.00 0.00 C ATOM 1209 O GLN B 103 -7.939 -10.688 0.865 1.00 0.00 O ATOM 1210 CB GLN B 103 -9.821 -10.527 3.283 1.00 0.00 C ATOM 1211 CG GLN B 103 -11.078 -10.502 2.415 1.00 0.00 C ATOM 1212 CD GLN B 103 -12.290 -11.112 3.101 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -12.214 -11.568 4.238 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -13.419 -11.127 2.407 1.00 0.00 N ATOM 0 H GLN B 103 -7.251 -10.452 3.670 1.00 0.00 H new ATOM 0 HA GLN B 103 -9.223 -12.586 3.154 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -10.114 -10.678 4.322 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -9.335 -9.553 3.227 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -11.303 -9.471 2.142 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.883 -11.042 1.488 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -13.443 -10.738 1.464 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -14.264 -11.527 2.816 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.957 -12.656 0.714 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.703 -12.740 -0.707 1.00 0.00 C ATOM 1225 C ARG B 104 -9.664 -11.868 -1.490 1.00 0.00 C ATOM 1226 O ARG B 104 -10.869 -12.127 -1.542 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.815 -14.180 -1.188 1.00 0.00 C ATOM 1228 CG ARG B 104 -7.739 -14.570 -2.184 1.00 0.00 C ATOM 1229 CD ARG B 104 -7.497 -16.068 -2.154 1.00 0.00 C ATOM 1230 NE ARG B 104 -6.132 -16.411 -1.730 1.00 0.00 N ATOM 1231 CZ ARG B 104 -5.737 -16.567 -0.470 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -6.565 -16.359 0.534 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.499 -16.936 -0.213 1.00 0.00 N ATOM 0 H ARG B 104 -9.465 -13.446 1.112 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.688 -12.381 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -8.762 -14.847 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -9.793 -14.327 -1.646 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -8.037 -14.265 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -6.814 -14.043 -1.952 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -8.212 -16.534 -1.476 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -7.681 -16.482 -3.145 1.00 0.00 H new ATOM 0 HE ARG B 104 -5.432 -16.540 -2.461 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.527 -16.073 0.351 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -6.244 -16.484 1.494 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -3.847 -17.101 -0.979 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -4.193 -17.057 0.752 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.106 -10.850 -2.133 1.00 0.00 N ATOM 1248 CA ILE B 105 -9.885 -9.954 -2.960 1.00 0.00 C ATOM 1249 C ILE B 105 -9.652 -10.313 -4.398 1.00 0.00 C ATOM 1250 O ILE B 105 -8.578 -10.082 -4.915 1.00 0.00 O ATOM 1251 CB ILE B 105 -9.494 -8.476 -2.719 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -10.630 -7.770 -2.031 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -9.113 -7.734 -4.002 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -11.789 -7.471 -2.953 1.00 0.00 C ATOM 0 H ILE B 105 -8.111 -10.628 -2.093 1.00 0.00 H new ATOM 0 HA ILE B 105 -10.939 -10.061 -2.703 1.00 0.00 H new ATOM 0 HB ILE B 105 -8.604 -8.475 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -10.982 -8.384 -1.202 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -10.264 -6.837 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -8.850 -6.704 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -8.260 -8.227 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -9.957 -7.742 -4.691 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -12.575 -6.961 -2.396 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -11.450 -6.832 -3.768 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -12.179 -8.403 -3.361 1.00 0.00 H new ATOM 1266 N THR B 106 -10.637 -10.881 -5.047 1.00 0.00 N ATOM 1267 CA THR B 106 -10.465 -11.252 -6.434 1.00 0.00 C ATOM 1268 C THR B 106 -11.408 -10.434 -7.314 1.00 0.00 C ATOM 1269 O THR B 106 -12.627 -10.608 -7.271 1.00 0.00 O ATOM 1270 CB THR B 106 -10.607 -12.785 -6.633 1.00 0.00 C ATOM 1271 OG1 THR B 106 -11.501 -13.102 -7.682 1.00 0.00 O ATOM 1272 CG2 THR B 106 -11.064 -13.545 -5.405 1.00 0.00 C ATOM 0 H THR B 106 -11.552 -11.095 -4.649 1.00 0.00 H new ATOM 0 HA THR B 106 -9.449 -11.012 -6.747 1.00 0.00 H new ATOM 0 HB THR B 106 -9.591 -13.101 -6.871 1.00 0.00 H new ATOM 0 HG1 THR B 106 -12.047 -13.874 -7.425 1.00 0.00 H new ATOM 0 HG21 THR B 106 -11.134 -14.607 -5.640 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.346 -13.398 -4.598 1.00 0.00 H new ATOM 0 HG23 THR B 106 -12.041 -13.177 -5.092 1.00 0.00 H new ATOM 1280 N VAL B 107 -10.821 -9.577 -8.159 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.584 -8.773 -9.113 1.00 0.00 C ATOM 1282 C VAL B 107 -11.465 -9.440 -10.471 1.00 0.00 C ATOM 1283 O VAL B 107 -10.432 -9.323 -11.131 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.128 -7.267 -9.198 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -9.659 -7.091 -8.829 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -11.399 -6.664 -10.591 1.00 0.00 C ATOM 0 H VAL B 107 -9.813 -9.424 -8.199 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.617 -8.734 -8.769 1.00 0.00 H new ATOM 0 HB VAL B 107 -11.728 -6.726 -8.466 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -9.389 -6.037 -8.902 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -9.496 -7.438 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -9.040 -7.672 -9.513 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.070 -5.625 -10.608 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -10.852 -7.230 -11.345 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -12.467 -6.710 -10.806 1.00 0.00 H new ATOM 1296 N THR B 108 -12.494 -10.168 -10.880 1.00 0.00 N ATOM 1297 CA THR B 108 -12.459 -10.855 -12.155 1.00 0.00 C ATOM 1298 C THR B 108 -12.490 -9.846 -13.296 1.00 0.00 C ATOM 1299 O THR B 108 -13.550 -9.367 -13.697 1.00 0.00 O ATOM 1300 CB THR B 108 -13.610 -11.843 -12.246 1.00 0.00 C ATOM 1301 OG1 THR B 108 -14.866 -11.204 -12.094 1.00 0.00 O ATOM 1302 CG2 THR B 108 -13.522 -12.923 -11.219 1.00 0.00 C ATOM 0 H THR B 108 -13.356 -10.295 -10.349 1.00 0.00 H new ATOM 0 HA THR B 108 -11.530 -11.419 -12.238 1.00 0.00 H new ATOM 0 HB THR B 108 -13.529 -12.282 -13.240 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.568 -11.881 -12.000 1.00 0.00 H new ATOM 0 HG21 THR B 108 -14.369 -13.600 -11.330 1.00 0.00 H new ATOM 0 HG22 THR B 108 -12.594 -13.478 -11.353 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.539 -12.480 -10.223 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.297 -9.515 -13.775 1.00 0.00 N ATOM 1311 CA VAL B 109 -11.107 -8.536 -14.841 1.00 0.00 C ATOM 1312 C VAL B 109 -11.100 -9.174 -16.231 1.00 0.00 C ATOM 1313 O VAL B 109 -11.821 -10.135 -16.475 1.00 0.00 O ATOM 1314 CB VAL B 109 -9.787 -7.788 -14.634 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -9.735 -7.171 -13.251 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -8.621 -8.737 -14.850 1.00 0.00 C ATOM 0 H VAL B 109 -10.426 -9.921 -13.432 1.00 0.00 H new ATOM 0 HA VAL B 109 -11.952 -7.849 -14.791 1.00 0.00 H new ATOM 0 HB VAL B 109 -9.718 -6.979 -15.362 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -8.790 -6.644 -13.123 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -10.561 -6.469 -13.135 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -9.817 -7.956 -12.499 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -7.683 -8.201 -14.702 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -8.685 -9.560 -14.138 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -8.657 -9.132 -15.865 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.332 -8.576 -17.161 1.00 0.00 N ATOM 1327 CA ASP B 110 -10.268 -9.012 -18.555 1.00 0.00 C ATOM 1328 C ASP B 110 -11.362 -8.284 -19.342 1.00 0.00 C ATOM 1329 O ASP B 110 -11.338 -8.225 -20.573 1.00 0.00 O ATOM 1330 CB ASP B 110 -10.365 -10.533 -18.694 1.00 0.00 C ATOM 1331 CG ASP B 110 -9.821 -11.014 -20.023 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -8.624 -10.782 -20.292 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -10.593 -11.619 -20.798 1.00 0.00 O ATOM 0 H ASP B 110 -9.738 -7.772 -16.958 1.00 0.00 H new ATOM 0 HA ASP B 110 -9.294 -8.751 -18.969 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -9.813 -11.008 -17.883 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -11.406 -10.841 -18.595 1.00 0.00 H new ATOM 1338 N SER B 111 -12.278 -7.666 -18.586 1.00 0.00 N ATOM 1339 CA SER B 111 -13.350 -6.855 -19.126 1.00 0.00 C ATOM 1340 C SER B 111 -13.105 -5.419 -18.669 1.00 0.00 C ATOM 1341 O SER B 111 -12.908 -4.530 -19.495 1.00 0.00 O ATOM 1342 CB SER B 111 -14.716 -7.357 -18.641 1.00 0.00 C ATOM 1343 OG SER B 111 -15.773 -6.735 -19.356 1.00 0.00 O ATOM 0 H SER B 111 -12.286 -7.723 -17.568 1.00 0.00 H new ATOM 0 HA SER B 111 -13.361 -6.914 -20.214 1.00 0.00 H new ATOM 0 HB2 SER B 111 -14.775 -8.438 -18.766 1.00 0.00 H new ATOM 0 HB3 SER B 111 -14.824 -7.153 -17.576 1.00 0.00 H new ATOM 0 HG SER B 111 -16.633 -7.073 -19.029 1.00 0.00 H new ATOM 1349 N ASP B 112 -13.131 -5.208 -17.339 1.00 0.00 N ATOM 1350 CA ASP B 112 -12.921 -3.885 -16.752 1.00 0.00 C ATOM 1351 C ASP B 112 -11.669 -3.186 -17.338 1.00 0.00 C ATOM 1352 O ASP B 112 -11.786 -2.453 -18.325 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.848 -4.009 -15.223 1.00 0.00 C ATOM 1354 CG ASP B 112 -13.773 -5.069 -14.668 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -13.481 -6.266 -14.872 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -14.781 -4.705 -14.032 1.00 0.00 O ATOM 0 H ASP B 112 -13.297 -5.945 -16.654 1.00 0.00 H new ATOM 0 HA ASP B 112 -13.768 -3.249 -17.009 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.824 -4.241 -14.932 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -13.097 -3.047 -14.774 1.00 0.00 H new ATOM 1361 N SER B 113 -10.474 -3.385 -16.744 1.00 0.00 N ATOM 1362 CA SER B 113 -9.239 -2.748 -17.248 1.00 0.00 C ATOM 1363 C SER B 113 -8.035 -3.057 -16.339 1.00 0.00 C ATOM 1364 O SER B 113 -7.265 -2.169 -15.978 1.00 0.00 O ATOM 1365 CB SER B 113 -9.419 -1.231 -17.367 1.00 0.00 C ATOM 1366 OG SER B 113 -9.865 -0.876 -18.665 1.00 0.00 O ATOM 0 H SER B 113 -10.338 -3.975 -15.923 1.00 0.00 H new ATOM 0 HA SER B 113 -9.041 -3.163 -18.236 1.00 0.00 H new ATOM 0 HB2 SER B 113 -10.138 -0.886 -16.624 1.00 0.00 H new ATOM 0 HB3 SER B 113 -8.475 -0.731 -17.153 1.00 0.00 H new ATOM 0 HG SER B 113 -10.600 -1.467 -18.932 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.898 -4.327 -15.973 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.819 -4.802 -15.098 1.00 0.00 C ATOM 1374 C TYR B 114 -5.504 -5.060 -15.840 1.00 0.00 C ATOM 1375 O TYR B 114 -4.425 -4.752 -15.331 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.269 -6.089 -14.451 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.177 -7.108 -14.293 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.891 -8.005 -15.307 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -5.453 -7.175 -13.129 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.915 -8.954 -15.162 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -4.465 -8.119 -12.961 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.199 -9.019 -13.983 1.00 0.00 C ATOM 1383 OH TYR B 114 -3.218 -9.974 -13.835 1.00 0.00 O ATOM 0 H TYR B 114 -8.534 -5.065 -16.274 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.623 -4.018 -14.366 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -7.686 -5.864 -13.470 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.072 -6.522 -15.047 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -6.448 -7.956 -16.231 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -5.662 -6.476 -12.332 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.707 -9.647 -15.964 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -3.901 -8.159 -12.041 1.00 0.00 H new ATOM 0 HH TYR B 114 -2.466 -9.595 -13.334 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.586 -5.709 -17.000 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.383 -6.093 -17.735 1.00 0.00 C ATOM 1395 C GLN B 115 -3.365 -4.943 -17.899 1.00 0.00 C ATOM 1396 O GLN B 115 -2.176 -5.171 -17.736 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.751 -6.688 -19.100 1.00 0.00 C ATOM 1398 CG GLN B 115 -5.640 -7.930 -19.025 1.00 0.00 C ATOM 1399 CD GLN B 115 -5.097 -9.096 -19.840 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -3.896 -9.186 -20.096 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -5.968 -10.002 -20.249 1.00 0.00 N ATOM 0 H GLN B 115 -6.463 -5.977 -17.447 1.00 0.00 H new ATOM 0 HA GLN B 115 -3.887 -6.853 -17.130 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -5.260 -5.926 -19.690 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -3.834 -6.943 -19.631 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -5.741 -8.236 -17.984 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -6.639 -7.678 -19.381 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -6.957 -9.899 -20.020 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -5.652 -10.805 -20.793 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.811 -3.723 -18.215 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.881 -2.576 -18.390 1.00 0.00 C ATOM 1412 C LEU B 116 -1.923 -2.374 -17.193 1.00 0.00 C ATOM 1413 O LEU B 116 -0.798 -1.906 -17.363 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.666 -1.281 -18.619 1.00 0.00 C ATOM 1415 CG LEU B 116 -3.364 -0.568 -19.939 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.215 0.687 -20.081 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -1.883 -0.228 -20.031 1.00 0.00 C ATOM 0 H LEU B 116 -4.795 -3.494 -18.356 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.272 -2.816 -19.262 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.731 -1.508 -18.581 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -3.457 -0.596 -17.797 1.00 0.00 H new ATOM 0 HG LEU B 116 -3.615 -1.241 -20.759 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -3.984 1.178 -21.026 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -5.270 0.415 -20.062 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.000 1.367 -19.257 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -1.684 0.279 -20.975 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -1.608 0.426 -19.203 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -1.295 -1.145 -19.980 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.385 -2.741 -16.004 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.567 -2.610 -14.783 1.00 0.00 C ATOM 1431 C LEU B 117 -0.528 -3.723 -14.693 1.00 0.00 C ATOM 1432 O LEU B 117 0.671 -3.477 -14.549 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.450 -2.646 -13.545 1.00 0.00 C ATOM 1434 CG LEU B 117 -2.370 -1.441 -12.597 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -1.205 -1.592 -11.640 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -2.257 -0.129 -13.357 1.00 0.00 C ATOM 0 H LEU B 117 -3.315 -3.131 -15.849 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.051 -1.651 -14.835 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.485 -2.753 -13.870 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.200 -3.542 -12.976 1.00 0.00 H new ATOM 0 HG LEU B 117 -3.299 -1.416 -12.027 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -1.165 -0.728 -10.976 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.335 -2.498 -11.049 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -0.276 -1.658 -12.206 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -2.203 0.698 -12.649 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.356 -0.141 -13.971 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -3.131 -0.003 -13.997 1.00 0.00 H new ATOM 1448 N LYS B 118 -1.009 -4.947 -14.793 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.161 -6.131 -14.734 1.00 0.00 C ATOM 1450 C LYS B 118 0.689 -6.240 -15.985 1.00 0.00 C ATOM 1451 O LYS B 118 1.800 -6.770 -15.960 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.029 -7.371 -14.580 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.091 -7.452 -15.652 1.00 0.00 C ATOM 1454 CD LYS B 118 -1.938 -8.713 -16.492 1.00 0.00 C ATOM 1455 CE LYS B 118 -1.995 -8.397 -17.975 1.00 0.00 C ATOM 1456 NZ LYS B 118 -1.923 -9.622 -18.822 1.00 0.00 N ATOM 0 H LYS B 118 -2.000 -5.153 -14.918 1.00 0.00 H new ATOM 0 HA LYS B 118 0.504 -6.047 -13.875 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.401 -8.261 -14.623 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.504 -7.362 -13.599 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.078 -7.438 -15.190 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -2.028 -6.575 -16.296 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -0.990 -9.196 -16.257 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -2.728 -9.420 -16.238 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -2.919 -7.861 -18.194 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -1.172 -7.731 -18.233 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -1.071 -9.583 -19.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -1.881 -10.464 -18.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -2.767 -9.675 -19.428 1.00 0.00 H new ATOM 1470 N ALA B 119 0.152 -5.707 -17.069 1.00 0.00 N ATOM 1471 CA ALA B 119 0.838 -5.698 -18.345 1.00 0.00 C ATOM 1472 C ALA B 119 2.144 -4.929 -18.224 1.00 0.00 C ATOM 1473 O ALA B 119 3.107 -5.205 -18.941 1.00 0.00 O ATOM 1474 CB ALA B 119 -0.042 -5.088 -19.430 1.00 0.00 C ATOM 0 H ALA B 119 -0.769 -5.270 -17.087 1.00 0.00 H new ATOM 0 HA ALA B 119 1.057 -6.727 -18.629 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.495 -5.092 -20.379 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.957 -5.673 -19.528 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.294 -4.062 -19.160 1.00 0.00 H new ATOM 1480 N TYR B 120 2.178 -3.966 -17.296 1.00 0.00 N ATOM 1481 CA TYR B 120 3.372 -3.186 -17.081 1.00 0.00 C ATOM 1482 C TYR B 120 4.284 -3.851 -16.043 1.00 0.00 C ATOM 1483 O TYR B 120 5.498 -3.826 -16.235 1.00 0.00 O ATOM 1484 CB TYR B 120 3.036 -1.709 -16.798 1.00 0.00 C ATOM 1485 CG TYR B 120 2.577 -1.324 -15.410 1.00 0.00 C ATOM 1486 CD1 TYR B 120 3.217 -1.760 -14.258 1.00 0.00 C ATOM 1487 CD2 TYR B 120 1.492 -0.473 -15.273 1.00 0.00 C ATOM 1488 CE1 TYR B 120 2.776 -1.358 -13.012 1.00 0.00 C ATOM 1489 CE2 TYR B 120 1.053 -0.067 -14.042 1.00 0.00 C ATOM 1490 CZ TYR B 120 1.695 -0.512 -12.908 1.00 0.00 C ATOM 1491 OH TYR B 120 1.264 -0.105 -11.670 1.00 0.00 O ATOM 0 H TYR B 120 1.393 -3.720 -16.693 1.00 0.00 H new ATOM 0 HA TYR B 120 3.956 -3.165 -18.001 1.00 0.00 H new ATOM 0 HB2 TYR B 120 3.922 -1.118 -17.029 1.00 0.00 H new ATOM 0 HB3 TYR B 120 2.259 -1.406 -17.500 1.00 0.00 H new ATOM 0 HD1 TYR B 120 4.068 -2.420 -14.337 1.00 0.00 H new ATOM 0 HD2 TYR B 120 0.981 -0.122 -16.158 1.00 0.00 H new ATOM 0 HE1 TYR B 120 3.278 -1.707 -12.122 1.00 0.00 H new ATOM 0 HE2 TYR B 120 0.207 0.599 -13.960 1.00 0.00 H new ATOM 0 HH TYR B 120 0.894 0.800 -11.734 1.00 0.00 H new ATOM 1501 N ASP B 121 3.699 -4.485 -14.984 1.00 0.00 N ATOM 1502 CA ASP B 121 4.491 -5.222 -13.957 1.00 0.00 C ATOM 1503 C ASP B 121 3.867 -5.149 -12.557 1.00 0.00 C ATOM 1504 O ASP B 121 4.572 -5.262 -11.553 1.00 0.00 O ATOM 1505 CB ASP B 121 5.948 -4.721 -13.893 1.00 0.00 C ATOM 1506 CG ASP B 121 6.824 -5.529 -12.958 1.00 0.00 C ATOM 1507 OD1 ASP B 121 6.847 -6.772 -13.092 1.00 0.00 O ATOM 1508 OD2 ASP B 121 7.500 -4.918 -12.105 1.00 0.00 O ATOM 0 H ASP B 121 2.692 -4.500 -14.822 1.00 0.00 H new ATOM 0 HA ASP B 121 4.482 -6.264 -14.276 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.377 -4.748 -14.894 1.00 0.00 H new ATOM 0 HB3 ASP B 121 5.952 -3.679 -13.572 1.00 0.00 H new ATOM 1513 N VAL B 122 2.555 -4.946 -12.474 1.00 0.00 N ATOM 1514 CA VAL B 122 1.900 -4.830 -11.177 1.00 0.00 C ATOM 1515 C VAL B 122 0.410 -5.094 -11.257 1.00 0.00 C ATOM 1516 O VAL B 122 -0.353 -4.216 -11.646 1.00 0.00 O ATOM 1517 CB VAL B 122 2.106 -3.404 -10.633 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.267 -3.154 -9.388 1.00 0.00 C ATOM 1519 CG2 VAL B 122 3.572 -3.139 -10.349 1.00 0.00 C ATOM 0 H VAL B 122 1.933 -4.860 -13.278 1.00 0.00 H new ATOM 0 HA VAL B 122 2.345 -5.578 -10.521 1.00 0.00 H new ATOM 0 HB VAL B 122 1.773 -2.710 -11.404 1.00 0.00 H new ATOM 0 HG11 VAL B 122 1.438 -2.138 -9.032 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.212 -3.281 -9.629 1.00 0.00 H new ATOM 0 HG13 VAL B 122 1.550 -3.863 -8.610 1.00 0.00 H new ATOM 0 HG21 VAL B 122 3.691 -2.125 -9.966 1.00 0.00 H new ATOM 0 HG22 VAL B 122 3.934 -3.852 -9.608 1.00 0.00 H new ATOM 0 HG23 VAL B 122 4.146 -3.249 -11.269 1.00 0.00 H new ATOM 1529 N ASN B 123 -0.013 -6.293 -10.867 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.436 -6.609 -10.869 1.00 0.00 C ATOM 1531 C ASN B 123 -2.134 -5.596 -9.947 1.00 0.00 C ATOM 1532 O ASN B 123 -2.506 -4.506 -10.378 1.00 0.00 O ATOM 1533 CB ASN B 123 -1.673 -8.059 -10.402 1.00 0.00 C ATOM 1534 CG ASN B 123 -1.007 -9.087 -11.296 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -1.440 -9.316 -12.423 1.00 0.00 O ATOM 1536 ND2 ASN B 123 0.041 -9.724 -10.792 1.00 0.00 N ATOM 0 H ASN B 123 0.596 -7.048 -10.552 1.00 0.00 H new ATOM 0 HA ASN B 123 -1.847 -6.537 -11.876 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -1.298 -8.173 -9.385 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -2.745 -8.254 -10.370 1.00 0.00 H new ATOM 0 HD21 ASN B 123 0.520 -10.435 -11.345 1.00 0.00 H new ATOM 0 HD22 ASN B 123 0.368 -9.503 -9.851 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.294 -5.945 -8.678 1.00 0.00 N ATOM 1544 CA ILE B 124 -2.925 -5.022 -7.732 1.00 0.00 C ATOM 1545 C ILE B 124 -2.534 -5.234 -6.278 1.00 0.00 C ATOM 1546 O ILE B 124 -3.138 -4.619 -5.397 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.460 -5.033 -7.797 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.965 -6.133 -8.692 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.985 -3.694 -8.276 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.443 -7.482 -8.291 1.00 0.00 C ATOM 0 H ILE B 124 -2.004 -6.839 -8.281 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.539 -4.058 -8.065 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.829 -5.219 -6.788 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -6.055 -6.146 -8.668 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.672 -5.924 -9.721 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -6.074 -3.723 -8.315 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.667 -2.911 -7.587 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.592 -3.484 -9.271 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.837 -8.240 -8.968 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.354 -7.481 -8.342 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.759 -7.706 -7.272 1.00 0.00 H new ATOM 1562 N SER B 125 -1.576 -6.118 -6.013 1.00 0.00 N ATOM 1563 CA SER B 125 -1.194 -6.404 -4.624 1.00 0.00 C ATOM 1564 C SER B 125 -1.211 -5.113 -3.797 1.00 0.00 C ATOM 1565 O SER B 125 -2.039 -4.950 -2.891 1.00 0.00 O ATOM 1566 CB SER B 125 0.192 -7.046 -4.567 1.00 0.00 C ATOM 1567 OG SER B 125 1.216 -6.095 -4.819 1.00 0.00 O ATOM 0 H SER B 125 -1.058 -6.640 -6.719 1.00 0.00 H new ATOM 0 HA SER B 125 -1.916 -7.105 -4.205 1.00 0.00 H new ATOM 0 HB2 SER B 125 0.346 -7.497 -3.586 1.00 0.00 H new ATOM 0 HB3 SER B 125 0.252 -7.850 -5.300 1.00 0.00 H new ATOM 0 HG SER B 125 2.090 -6.536 -4.774 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.329 -4.183 -4.153 1.00 0.00 N ATOM 1574 CA GLY B 126 -0.277 -2.900 -3.479 1.00 0.00 C ATOM 1575 C GLY B 126 -1.198 -1.880 -4.132 1.00 0.00 C ATOM 1576 O GLY B 126 -1.583 -0.899 -3.501 1.00 0.00 O ATOM 0 H GLY B 126 0.354 -4.298 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.559 -3.027 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY B 126 0.746 -2.525 -3.490 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.571 -2.122 -5.392 1.00 0.00 N ATOM 1581 CA LEU B 127 -2.456 -1.241 -6.110 1.00 0.00 C ATOM 1582 C LEU B 127 -3.814 -1.197 -5.418 1.00 0.00 C ATOM 1583 O LEU B 127 -4.221 -0.151 -4.930 1.00 0.00 O ATOM 1584 CB LEU B 127 -2.587 -1.725 -7.554 1.00 0.00 C ATOM 1585 CG LEU B 127 -2.657 -0.645 -8.627 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -3.740 -0.989 -9.630 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -2.907 0.713 -8.005 1.00 0.00 C ATOM 0 H LEU B 127 -1.262 -2.933 -5.928 1.00 0.00 H new ATOM 0 HA LEU B 127 -2.049 -0.230 -6.119 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -1.738 -2.372 -7.776 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -3.484 -2.339 -7.628 1.00 0.00 H new ATOM 0 HG LEU B 127 -1.700 -0.600 -9.147 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -3.787 -0.214 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -3.512 -1.947 -10.097 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.701 -1.053 -9.120 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -2.953 1.469 -8.789 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -3.851 0.696 -7.461 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -2.096 0.953 -7.317 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.496 -2.346 -5.325 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.778 -2.393 -4.632 1.00 0.00 C ATOM 1601 C VAL B 128 -5.601 -1.852 -3.214 1.00 0.00 C ATOM 1602 O VAL B 128 -6.140 -0.820 -2.850 1.00 0.00 O ATOM 1603 CB VAL B 128 -6.352 -3.840 -4.567 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -7.472 -3.954 -3.538 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.851 -4.282 -5.928 1.00 0.00 C ATOM 0 H VAL B 128 -4.185 -3.236 -5.714 1.00 0.00 H new ATOM 0 HA VAL B 128 -6.486 -1.780 -5.190 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.540 -4.497 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.848 -4.977 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -7.088 -3.692 -2.552 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -8.282 -3.275 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -7.247 -5.295 -5.859 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.638 -3.607 -6.264 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -6.027 -4.263 -6.641 1.00 0.00 H new ATOM 1615 N SER B 129 -4.824 -2.571 -2.433 1.00 0.00 N ATOM 1616 CA SER B 129 -4.550 -2.236 -1.046 1.00 0.00 C ATOM 1617 C SER B 129 -4.117 -0.781 -0.778 1.00 0.00 C ATOM 1618 O SER B 129 -4.644 -0.162 0.146 1.00 0.00 O ATOM 1619 CB SER B 129 -3.482 -3.185 -0.540 1.00 0.00 C ATOM 1620 OG SER B 129 -2.175 -2.657 -0.741 1.00 0.00 O ATOM 0 H SER B 129 -4.355 -3.421 -2.747 1.00 0.00 H new ATOM 0 HA SER B 129 -5.496 -2.340 -0.515 1.00 0.00 H new ATOM 0 HB2 SER B 129 -3.638 -3.377 0.521 1.00 0.00 H new ATOM 0 HB3 SER B 129 -3.572 -4.142 -1.054 1.00 0.00 H new ATOM 0 HG SER B 129 -1.514 -3.257 -0.337 1.00 0.00 H new ATOM 1626 N THR B 130 -3.161 -0.229 -1.535 1.00 0.00 N ATOM 1627 CA THR B 130 -2.707 1.141 -1.278 1.00 0.00 C ATOM 1628 C THR B 130 -3.653 2.157 -1.892 1.00 0.00 C ATOM 1629 O THR B 130 -4.050 3.118 -1.226 1.00 0.00 O ATOM 1630 CB THR B 130 -1.267 1.360 -1.779 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.452 1.848 -0.729 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.147 2.345 -2.925 1.00 0.00 C ATOM 0 H THR B 130 -2.696 -0.698 -2.313 1.00 0.00 H new ATOM 0 HA THR B 130 -2.709 1.288 -0.198 1.00 0.00 H new ATOM 0 HB THR B 130 -0.945 0.382 -2.136 1.00 0.00 H new ATOM 0 HG1 THR B 130 0.461 1.982 -1.059 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.101 2.440 -3.215 1.00 0.00 H new ATOM 0 HG22 THR B 130 -1.728 1.987 -3.775 1.00 0.00 H new ATOM 0 HG23 THR B 130 -1.526 3.317 -2.610 1.00 0.00 H new ATOM 1640 N THR B 131 -4.009 1.964 -3.160 1.00 0.00 N ATOM 1641 CA THR B 131 -4.903 2.902 -3.816 1.00 0.00 C ATOM 1642 C THR B 131 -6.199 3.036 -3.020 1.00 0.00 C ATOM 1643 O THR B 131 -6.739 4.136 -2.888 1.00 0.00 O ATOM 1644 CB THR B 131 -5.170 2.525 -5.281 1.00 0.00 C ATOM 1645 OG1 THR B 131 -4.599 3.489 -6.144 1.00 0.00 O ATOM 1646 CG2 THR B 131 -6.636 2.407 -5.644 1.00 0.00 C ATOM 0 H THR B 131 -3.698 1.184 -3.739 1.00 0.00 H new ATOM 0 HA THR B 131 -4.410 3.874 -3.839 1.00 0.00 H new ATOM 0 HB THR B 131 -4.718 1.541 -5.401 1.00 0.00 H new ATOM 0 HG1 THR B 131 -5.075 3.484 -7.001 1.00 0.00 H new ATOM 0 HG21 THR B 131 -6.730 2.138 -6.696 1.00 0.00 H new ATOM 0 HG22 THR B 131 -7.102 1.637 -5.030 1.00 0.00 H new ATOM 0 HG23 THR B 131 -7.132 3.361 -5.468 1.00 0.00 H new ATOM 1654 N MET B 132 -6.678 1.920 -2.460 1.00 0.00 N ATOM 1655 CA MET B 132 -7.885 1.947 -1.652 1.00 0.00 C ATOM 1656 C MET B 132 -7.669 2.790 -0.405 1.00 0.00 C ATOM 1657 O MET B 132 -8.481 3.636 -0.103 1.00 0.00 O ATOM 1658 CB MET B 132 -8.316 0.537 -1.271 1.00 0.00 C ATOM 1659 CG MET B 132 -8.519 -0.359 -2.473 1.00 0.00 C ATOM 1660 SD MET B 132 -10.225 -0.488 -2.983 1.00 0.00 S ATOM 1661 CE MET B 132 -10.362 -2.251 -3.050 1.00 0.00 C ATOM 0 H MET B 132 -6.248 1.000 -2.554 1.00 0.00 H new ATOM 0 HA MET B 132 -8.681 2.397 -2.245 1.00 0.00 H new ATOM 0 HB2 MET B 132 -7.563 0.096 -0.618 1.00 0.00 H new ATOM 0 HB3 MET B 132 -9.243 0.587 -0.700 1.00 0.00 H new ATOM 0 HG2 MET B 132 -7.927 0.022 -3.305 1.00 0.00 H new ATOM 0 HG3 MET B 132 -8.140 -1.355 -2.242 1.00 0.00 H new ATOM 0 HE1 MET B 132 -11.283 -2.563 -2.558 1.00 0.00 H new ATOM 0 HE2 MET B 132 -10.379 -2.575 -4.090 1.00 0.00 H new ATOM 0 HE3 MET B 132 -9.509 -2.702 -2.543 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.569 2.573 0.317 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.295 3.354 1.531 1.00 0.00 C ATOM 1673 C GLN B 133 -6.466 4.852 1.260 1.00 0.00 C ATOM 1674 O GLN B 133 -7.062 5.575 2.064 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.878 3.071 2.028 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.513 3.816 3.305 1.00 0.00 C ATOM 1677 CD GLN B 133 -3.369 3.164 4.060 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -2.241 3.644 4.031 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -3.654 2.062 4.737 1.00 0.00 N ATOM 0 H GLN B 133 -5.861 1.875 0.090 1.00 0.00 H new ATOM 0 HA GLN B 133 -7.009 3.058 2.300 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.771 2.000 2.200 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.168 3.341 1.246 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -4.240 4.842 3.056 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -5.388 3.867 3.953 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -4.606 1.695 4.736 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -2.922 1.581 5.259 1.00 0.00 H new ATOM 1688 N ASN B 134 -5.973 5.298 0.109 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.093 6.697 -0.297 1.00 0.00 C ATOM 1690 C ASN B 134 -7.559 7.067 -0.480 1.00 0.00 C ATOM 1691 O ASN B 134 -8.061 7.993 0.165 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.317 6.915 -1.607 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.120 7.833 -1.468 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.085 8.713 -0.613 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -3.130 7.629 -2.326 1.00 0.00 N ATOM 0 H ASN B 134 -5.483 4.708 -0.564 1.00 0.00 H new ATOM 0 HA ASN B 134 -5.673 7.337 0.479 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -4.980 5.949 -1.983 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -5.994 7.329 -2.354 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -2.296 8.216 -2.292 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -3.202 6.885 -3.020 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.249 6.311 -1.328 1.00 0.00 N ATOM 1703 CA GLU B 135 -9.670 6.530 -1.564 1.00 0.00 C ATOM 1704 C GLU B 135 -10.483 6.097 -0.333 1.00 0.00 C ATOM 1705 O GLU B 135 -11.668 6.376 -0.229 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.108 5.762 -2.820 1.00 0.00 C ATOM 1707 CG GLU B 135 -11.614 5.556 -2.947 1.00 0.00 C ATOM 1708 CD GLU B 135 -12.421 6.847 -2.967 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -11.818 7.942 -3.055 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -13.665 6.753 -2.898 1.00 0.00 O ATOM 0 H GLU B 135 -7.846 5.541 -1.863 1.00 0.00 H new ATOM 0 HA GLU B 135 -9.854 7.592 -1.729 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.753 6.298 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -9.620 4.787 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -11.817 4.999 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -11.956 4.939 -2.116 1.00 0.00 H new ATOM 1717 N ALA B 136 -9.825 5.436 0.612 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.454 4.992 1.842 1.00 0.00 C ATOM 1719 C ALA B 136 -10.371 6.087 2.890 1.00 0.00 C ATOM 1720 O ALA B 136 -11.359 6.408 3.551 1.00 0.00 O ATOM 1721 CB ALA B 136 -9.776 3.728 2.345 1.00 0.00 C ATOM 0 H ALA B 136 -8.837 5.194 0.543 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.504 4.772 1.647 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.254 3.401 3.269 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -9.865 2.944 1.593 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -8.722 3.931 2.534 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.171 6.663 3.029 1.00 0.00 N ATOM 1728 CA ARG B 137 -8.952 7.734 3.990 1.00 0.00 C ATOM 1729 C ARG B 137 -9.782 8.934 3.642 1.00 0.00 C ATOM 1730 O ARG B 137 -10.560 9.435 4.460 1.00 0.00 O ATOM 1731 CB ARG B 137 -7.511 8.189 3.978 1.00 0.00 C ATOM 1732 CG ARG B 137 -6.765 7.902 5.265 1.00 0.00 C ATOM 1733 CD ARG B 137 -5.306 8.292 5.144 1.00 0.00 C ATOM 1734 NE ARG B 137 -4.590 8.110 6.410 1.00 0.00 N ATOM 1735 CZ ARG B 137 -4.725 8.897 7.472 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -5.472 9.987 7.421 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -4.086 8.604 8.586 1.00 0.00 N ATOM 0 H ARG B 137 -8.346 6.403 2.489 1.00 0.00 H new ATOM 0 HA ARG B 137 -9.223 7.337 4.968 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -6.993 7.700 3.153 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -7.481 9.261 3.783 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.225 8.451 6.087 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -6.843 6.842 5.506 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -4.832 7.691 4.368 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -5.232 9.333 4.831 1.00 0.00 H new ATOM 0 HE ARG B 137 -3.943 7.325 6.481 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -5.955 10.234 6.557 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -5.565 10.580 8.245 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -3.491 7.777 8.630 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -4.186 9.205 9.404 1.00 0.00 H new ATOM 1751 N ARG B 138 -9.592 9.409 2.418 1.00 0.00 N ATOM 1752 CA ARG B 138 -10.311 10.572 1.972 1.00 0.00 C ATOM 1753 C ARG B 138 -11.716 10.226 1.463 1.00 0.00 C ATOM 1754 O ARG B 138 -12.669 10.944 1.748 1.00 0.00 O ATOM 1755 CB ARG B 138 -9.532 11.337 0.905 1.00 0.00 C ATOM 1756 CG ARG B 138 -9.856 12.825 0.883 1.00 0.00 C ATOM 1757 CD ARG B 138 -10.052 13.390 2.285 1.00 0.00 C ATOM 1758 NE ARG B 138 -9.925 14.854 2.318 1.00 0.00 N ATOM 1759 CZ ARG B 138 -10.877 15.697 1.944 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -11.994 15.249 1.406 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -10.699 16.995 2.085 1.00 0.00 N ATOM 0 H ARG B 138 -8.953 9.007 1.732 1.00 0.00 H new ATOM 0 HA ARG B 138 -10.425 11.217 2.843 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -8.464 11.206 1.079 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -9.750 10.909 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -9.050 13.364 0.385 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -10.760 12.990 0.296 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -11.037 13.104 2.655 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -9.318 12.948 2.959 1.00 0.00 H new ATOM 0 HE ARG B 138 -9.045 15.248 2.651 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -12.131 14.247 1.275 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -12.722 15.905 1.121 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -9.829 17.350 2.482 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -11.431 17.644 1.797 1.00 0.00 H new