USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Set 1.2: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 1 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 3 MET CE :methyl 145:sc= -0.0696 (180deg=-0.334) USER MOD Set 3.1: A 2 HIS : no HE2:sc= 0.808 K(o=1.6,f=-2.1) USER MOD Set 3.2: A 5 ASN :FLIP amide:sc= 0.799 F(o=-0.5,f=1.6) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -139:sc= -0.0546 (180deg=-0.397) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= -0.0128 (180deg=-0.128) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -35:sc= 0.603 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -160:sc= 1.4 USER MOD Single : A 20 GLN : amide:sc= -1.99 K(o=-2,f=-4.5!) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0.67 (180deg=0.625) USER MOD Single : A 29 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.15) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -109:sc= 0.0315 USER MOD Single : A 32 HIS : no HD1:sc= -0.431 X(o=-0.43,f=0.059) USER MOD Single : A 33 TYR OH : rot 180:sc= 0.563 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 44 MET CE :methyl 180:sc= -0.414 (180deg=-0.414) USER MOD Single : A 46 THR OG1 : rot -73:sc= 0.975 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.137 K(o=-0.14,f=-11!) USER MOD Single : A 58 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.079) USER MOD Single : A 59 ASN : amide:sc= 0.675 K(o=0.68,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc=-0.00916 (180deg=-0.181) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 73 MET CE :methyl -165:sc= -0.167 (180deg=-0.593) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.0159 K(o=-0.016,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 29.921 -6.871 -25.623 1.00 41.11 N ATOM 2 CA SER A 1 29.576 -5.416 -25.651 1.00 15.32 C ATOM 3 C SER A 1 28.044 -5.217 -25.580 1.00 21.21 C ATOM 4 O SER A 1 27.385 -4.956 -26.596 1.00 14.35 O ATOM 5 CB SER A 1 30.173 -4.751 -26.917 1.00 20.25 C ATOM 6 OG SER A 1 29.872 -3.362 -26.981 1.00 21.24 O ATOM 0 H1 SER A 1 30.954 -6.984 -25.672 1.00 41.11 H new ATOM 0 H2 SER A 1 29.567 -7.295 -24.742 1.00 41.11 H new ATOM 0 H3 SER A 1 29.482 -7.348 -26.437 1.00 41.11 H new ATOM 0 HA SER A 1 30.012 -4.933 -24.776 1.00 15.32 H new ATOM 0 HB2 SER A 1 31.254 -4.888 -26.923 1.00 20.25 H new ATOM 0 HB3 SER A 1 29.783 -5.248 -27.806 1.00 20.25 H new ATOM 0 HG SER A 1 30.267 -2.979 -27.792 1.00 21.24 H new ATOM 14 N HIS A 2 27.475 -5.395 -24.369 1.00 53.03 N ATOM 15 CA HIS A 2 26.027 -5.191 -24.115 1.00 54.42 C ATOM 16 C HIS A 2 25.721 -3.681 -23.947 1.00 61.02 C ATOM 17 O HIS A 2 26.381 -2.992 -23.167 1.00 74.10 O ATOM 18 CB HIS A 2 25.581 -5.994 -22.858 1.00 11.14 C ATOM 19 CG HIS A 2 24.095 -5.939 -22.576 1.00 63.32 C ATOM 20 ND1 HIS A 2 23.198 -6.857 -23.077 1.00 14.41 N ATOM 21 CD2 HIS A 2 23.352 -5.067 -21.847 1.00 35.44 C ATOM 22 CE1 HIS A 2 21.981 -6.554 -22.679 1.00 65.33 C ATOM 23 NE2 HIS A 2 22.043 -5.476 -21.933 1.00 54.22 N ATOM 0 H HIS A 2 28.000 -5.682 -23.543 1.00 53.03 H new ATOM 0 HA HIS A 2 25.462 -5.560 -24.971 1.00 54.42 H new ATOM 0 HB2 HIS A 2 25.876 -7.036 -22.984 1.00 11.14 H new ATOM 0 HB3 HIS A 2 26.118 -5.613 -21.989 1.00 11.14 H new ATOM 0 HD1 HIS A 2 23.441 -7.652 -23.668 1.00 14.41 H new ATOM 0 HD2 HIS A 2 23.721 -4.211 -21.301 1.00 35.44 H new ATOM 0 HE1 HIS A 2 21.082 -7.100 -22.925 1.00 65.33 H new ATOM 32 N MET A 3 24.691 -3.187 -24.663 1.00 25.25 N ATOM 33 CA MET A 3 24.367 -1.739 -24.731 1.00 40.23 C ATOM 34 C MET A 3 22.866 -1.508 -25.082 1.00 34.02 C ATOM 35 O MET A 3 22.047 -2.426 -24.947 1.00 41.40 O ATOM 36 CB MET A 3 25.300 -1.054 -25.777 1.00 33.05 C ATOM 37 CG MET A 3 25.259 -1.682 -27.182 1.00 64.23 C ATOM 38 SD MET A 3 26.228 -0.758 -28.395 1.00 21.01 S ATOM 39 CE MET A 3 27.870 -0.767 -27.666 1.00 64.23 C ATOM 0 H MET A 3 24.060 -3.773 -25.210 1.00 25.25 H new ATOM 0 HA MET A 3 24.536 -1.292 -23.751 1.00 40.23 H new ATOM 0 HB2 MET A 3 25.025 -0.002 -25.856 1.00 33.05 H new ATOM 0 HB3 MET A 3 26.325 -1.089 -25.408 1.00 33.05 H new ATOM 0 HG2 MET A 3 25.633 -2.704 -27.128 1.00 64.23 H new ATOM 0 HG3 MET A 3 24.224 -1.739 -27.519 1.00 64.23 H new ATOM 0 HE1 MET A 3 28.618 -0.829 -28.456 1.00 64.23 H new ATOM 0 HE2 MET A 3 28.020 0.149 -27.095 1.00 64.23 H new ATOM 0 HE3 MET A 3 27.969 -1.627 -27.004 1.00 64.23 H new ATOM 49 N SER A 4 22.526 -0.246 -25.473 1.00 10.13 N ATOM 50 CA SER A 4 21.171 0.170 -25.963 1.00 3.21 C ATOM 51 C SER A 4 20.105 0.265 -24.842 1.00 71.25 C ATOM 52 O SER A 4 18.930 0.544 -25.122 1.00 1.14 O ATOM 53 CB SER A 4 20.661 -0.745 -27.118 1.00 40.14 C ATOM 54 OG SER A 4 21.553 -0.743 -28.229 1.00 0.43 O ATOM 0 H SER A 4 23.194 0.525 -25.458 1.00 10.13 H new ATOM 0 HA SER A 4 21.311 1.179 -26.352 1.00 3.21 H new ATOM 0 HB2 SER A 4 20.543 -1.764 -26.749 1.00 40.14 H new ATOM 0 HB3 SER A 4 19.677 -0.407 -27.442 1.00 40.14 H new ATOM 0 HG SER A 4 21.201 -1.328 -28.932 1.00 0.43 H new ATOM 60 N ASN A 5 20.520 0.065 -23.578 1.00 41.32 N ATOM 61 CA ASN A 5 19.606 0.111 -22.413 1.00 62.40 C ATOM 62 C ASN A 5 19.309 1.566 -21.986 1.00 4.23 C ATOM 63 O ASN A 5 20.147 2.228 -21.360 1.00 2.13 O ATOM 64 CB ASN A 5 20.200 -0.697 -21.229 1.00 0.11 C ATOM 65 CG ASN A 5 20.348 -2.187 -21.522 1.00 31.05 C ATOM 66 OD1 ASN A 5 19.391 -2.773 -22.225 1.00 14.23 O flip ATOM 67 ND2 ASN A 5 21.298 -2.823 -21.084 1.00 21.42 N flip ATOM 0 H ASN A 5 21.490 -0.132 -23.332 1.00 41.32 H new ATOM 0 HA ASN A 5 18.661 -0.345 -22.709 1.00 62.40 H new ATOM 0 HB2 ASN A 5 21.177 -0.286 -20.973 1.00 0.11 H new ATOM 0 HB3 ASN A 5 19.561 -0.568 -20.355 1.00 0.11 H new ATOM 0 HD21 ASN A 5 22.023 -2.350 -20.545 1.00 21.42 H new ATOM 0 HD22 ASN A 5 21.364 -3.826 -21.258 1.00 21.42 H new ATOM 74 N LYS A 6 18.119 2.064 -22.369 1.00 73.24 N ATOM 75 CA LYS A 6 17.602 3.383 -21.945 1.00 20.01 C ATOM 76 C LYS A 6 16.157 3.242 -21.418 1.00 51.41 C ATOM 77 O LYS A 6 15.186 3.258 -22.191 1.00 40.45 O ATOM 78 CB LYS A 6 17.669 4.415 -23.111 1.00 34.12 C ATOM 79 CG LYS A 6 19.109 4.796 -23.526 1.00 53.01 C ATOM 80 CD LYS A 6 19.171 5.927 -24.570 1.00 52.05 C ATOM 81 CE LYS A 6 20.622 6.367 -24.856 1.00 65.14 C ATOM 82 NZ LYS A 6 21.327 6.799 -23.615 1.00 13.34 N ATOM 0 H LYS A 6 17.482 1.560 -22.986 1.00 73.24 H new ATOM 0 HA LYS A 6 18.233 3.756 -21.139 1.00 20.01 H new ATOM 0 HB2 LYS A 6 17.148 4.006 -23.976 1.00 34.12 H new ATOM 0 HB3 LYS A 6 17.135 5.318 -22.815 1.00 34.12 H new ATOM 0 HG2 LYS A 6 19.665 5.100 -22.639 1.00 53.01 H new ATOM 0 HG3 LYS A 6 19.608 3.914 -23.928 1.00 53.01 H new ATOM 0 HD2 LYS A 6 18.704 5.592 -25.496 1.00 52.05 H new ATOM 0 HD3 LYS A 6 18.596 6.782 -24.214 1.00 52.05 H new ATOM 0 HE2 LYS A 6 21.168 5.543 -25.315 1.00 65.14 H new ATOM 0 HE3 LYS A 6 20.618 7.186 -25.575 1.00 65.14 H new ATOM 0 HZ1 LYS A 6 21.899 7.644 -23.817 1.00 13.34 H new ATOM 0 HZ2 LYS A 6 20.628 7.022 -22.878 1.00 13.34 H new ATOM 0 HZ3 LYS A 6 21.947 6.033 -23.283 1.00 13.34 H new ATOM 96 N GLY A 7 16.036 3.063 -20.088 1.00 43.22 N ATOM 97 CA GLY A 7 14.727 2.977 -19.422 1.00 0.14 C ATOM 98 C GLY A 7 14.062 4.343 -19.227 1.00 3.14 C ATOM 99 O GLY A 7 14.467 5.339 -19.841 1.00 3.32 O ATOM 0 H GLY A 7 16.831 2.975 -19.456 1.00 43.22 H new ATOM 0 HA2 GLY A 7 14.068 2.339 -20.011 1.00 0.14 H new ATOM 0 HA3 GLY A 7 14.851 2.498 -18.451 1.00 0.14 H new ATOM 103 N LYS A 8 13.022 4.392 -18.381 1.00 30.40 N ATOM 104 CA LYS A 8 12.285 5.639 -18.087 1.00 51.05 C ATOM 105 C LYS A 8 13.027 6.467 -17.012 1.00 75.32 C ATOM 106 O LYS A 8 13.190 6.017 -15.874 1.00 4.20 O ATOM 107 CB LYS A 8 10.819 5.335 -17.633 1.00 13.52 C ATOM 108 CG LYS A 8 9.850 4.889 -18.763 1.00 2.41 C ATOM 109 CD LYS A 8 10.210 3.520 -19.399 1.00 61.32 C ATOM 110 CE LYS A 8 9.230 3.107 -20.517 1.00 11.43 C ATOM 111 NZ LYS A 8 7.833 2.997 -20.015 1.00 60.31 N ATOM 0 H LYS A 8 12.667 3.576 -17.882 1.00 30.40 H new ATOM 0 HA LYS A 8 12.237 6.225 -19.005 1.00 51.05 H new ATOM 0 HB2 LYS A 8 10.847 4.555 -16.872 1.00 13.52 H new ATOM 0 HB3 LYS A 8 10.411 6.228 -17.159 1.00 13.52 H new ATOM 0 HG2 LYS A 8 8.838 4.836 -18.360 1.00 2.41 H new ATOM 0 HG3 LYS A 8 9.843 5.650 -19.543 1.00 2.41 H new ATOM 0 HD2 LYS A 8 11.220 3.567 -19.806 1.00 61.32 H new ATOM 0 HD3 LYS A 8 10.214 2.754 -18.624 1.00 61.32 H new ATOM 0 HE2 LYS A 8 9.270 3.839 -21.324 1.00 11.43 H new ATOM 0 HE3 LYS A 8 9.541 2.151 -20.938 1.00 11.43 H new ATOM 0 HZ1 LYS A 8 7.232 2.573 -20.750 1.00 60.31 H new ATOM 0 HZ2 LYS A 8 7.816 2.397 -19.165 1.00 60.31 H new ATOM 0 HZ3 LYS A 8 7.474 3.944 -19.778 1.00 60.31 H new ATOM 125 N LYS A 9 13.466 7.686 -17.386 1.00 10.23 N ATOM 126 CA LYS A 9 14.078 8.669 -16.445 1.00 60.31 C ATOM 127 C LYS A 9 12.988 9.522 -15.734 1.00 40.32 C ATOM 128 O LYS A 9 13.221 10.676 -15.345 1.00 5.12 O ATOM 129 CB LYS A 9 15.073 9.576 -17.223 1.00 74.23 C ATOM 130 CG LYS A 9 14.442 10.391 -18.377 1.00 54.31 C ATOM 131 CD LYS A 9 15.482 11.225 -19.159 1.00 71.21 C ATOM 132 CE LYS A 9 14.853 12.023 -20.318 1.00 33.44 C ATOM 133 NZ LYS A 9 15.878 12.736 -21.123 1.00 42.23 N ATOM 0 H LYS A 9 13.410 8.024 -18.347 1.00 10.23 H new ATOM 0 HA LYS A 9 14.619 8.126 -15.670 1.00 60.31 H new ATOM 0 HB2 LYS A 9 15.538 10.268 -16.520 1.00 74.23 H new ATOM 0 HB3 LYS A 9 15.869 8.952 -17.630 1.00 74.23 H new ATOM 0 HG2 LYS A 9 13.938 9.710 -19.063 1.00 54.31 H new ATOM 0 HG3 LYS A 9 13.680 11.056 -17.971 1.00 54.31 H new ATOM 0 HD2 LYS A 9 15.977 11.914 -18.475 1.00 71.21 H new ATOM 0 HD3 LYS A 9 16.251 10.561 -19.555 1.00 71.21 H new ATOM 0 HE2 LYS A 9 14.293 11.346 -20.962 1.00 33.44 H new ATOM 0 HE3 LYS A 9 14.141 12.744 -19.917 1.00 33.44 H new ATOM 0 HZ1 LYS A 9 15.413 13.260 -21.892 1.00 42.23 H new ATOM 0 HZ2 LYS A 9 16.396 13.401 -20.514 1.00 42.23 H new ATOM 0 HZ3 LYS A 9 16.543 12.046 -21.527 1.00 42.23 H new ATOM 147 N ARG A 10 11.820 8.900 -15.522 1.00 22.41 N ATOM 148 CA ARG A 10 10.624 9.557 -14.984 1.00 4.44 C ATOM 149 C ARG A 10 10.735 9.700 -13.450 1.00 41.21 C ATOM 150 O ARG A 10 10.538 8.724 -12.712 1.00 4.53 O ATOM 151 CB ARG A 10 9.358 8.727 -15.379 1.00 60.23 C ATOM 152 CG ARG A 10 8.036 9.529 -15.433 1.00 31.14 C ATOM 153 CD ARG A 10 8.024 10.558 -16.585 1.00 11.04 C ATOM 154 NE ARG A 10 6.701 11.185 -16.764 1.00 22.22 N ATOM 155 CZ ARG A 10 5.824 10.864 -17.697 1.00 44.44 C ATOM 156 NH1 ARG A 10 6.048 9.888 -18.532 1.00 20.02 N ATOM 157 NH2 ARG A 10 4.716 11.519 -17.781 1.00 3.34 N ATOM 0 H ARG A 10 11.679 7.910 -15.723 1.00 22.41 H new ATOM 0 HA ARG A 10 10.536 10.558 -15.406 1.00 4.44 H new ATOM 0 HB2 ARG A 10 9.530 8.274 -16.356 1.00 60.23 H new ATOM 0 HB3 ARG A 10 9.241 7.911 -14.666 1.00 60.23 H new ATOM 0 HG2 ARG A 10 7.200 8.840 -15.555 1.00 31.14 H new ATOM 0 HG3 ARG A 10 7.888 10.046 -14.485 1.00 31.14 H new ATOM 0 HD2 ARG A 10 8.766 11.331 -16.386 1.00 11.04 H new ATOM 0 HD3 ARG A 10 8.318 10.065 -17.512 1.00 11.04 H new ATOM 0 HE ARG A 10 6.443 11.927 -16.114 1.00 22.22 H new ATOM 0 HH11 ARG A 10 6.915 9.355 -18.472 1.00 20.02 H new ATOM 0 HH12 ARG A 10 5.356 9.658 -19.245 1.00 20.02 H new ATOM 0 HH21 ARG A 10 4.522 12.279 -17.129 1.00 3.34 H new ATOM 0 HH22 ARG A 10 4.034 11.277 -18.499 1.00 3.34 H new ATOM 171 N ARG A 11 11.104 10.908 -12.979 1.00 13.51 N ATOM 172 CA ARG A 11 11.145 11.235 -11.532 1.00 53.35 C ATOM 173 C ARG A 11 9.703 11.392 -10.984 1.00 24.10 C ATOM 174 O ARG A 11 9.186 12.509 -10.838 1.00 1.55 O ATOM 175 CB ARG A 11 12.013 12.517 -11.267 1.00 21.40 C ATOM 176 CG ARG A 11 13.552 12.294 -11.170 1.00 13.21 C ATOM 177 CD ARG A 11 14.166 11.556 -12.374 1.00 13.12 C ATOM 178 NE ARG A 11 15.640 11.518 -12.335 1.00 74.45 N ATOM 179 CZ ARG A 11 16.377 10.700 -11.611 1.00 54.23 C ATOM 180 NH1 ARG A 11 15.850 9.839 -10.799 1.00 34.20 N ATOM 181 NH2 ARG A 11 17.663 10.754 -11.708 1.00 11.32 N ATOM 0 H ARG A 11 11.381 11.682 -13.583 1.00 13.51 H new ATOM 0 HA ARG A 11 11.622 10.413 -10.998 1.00 53.35 H new ATOM 0 HB2 ARG A 11 11.820 13.233 -12.065 1.00 21.40 H new ATOM 0 HB3 ARG A 11 11.673 12.975 -10.338 1.00 21.40 H new ATOM 0 HG2 ARG A 11 14.041 13.262 -11.065 1.00 13.21 H new ATOM 0 HG3 ARG A 11 13.768 11.728 -10.264 1.00 13.21 H new ATOM 0 HD2 ARG A 11 13.782 10.536 -12.402 1.00 13.12 H new ATOM 0 HD3 ARG A 11 13.845 12.043 -13.295 1.00 13.12 H new ATOM 0 HE ARG A 11 16.135 12.188 -12.924 1.00 74.45 H new ATOM 0 HH11 ARG A 11 14.836 9.780 -10.706 1.00 34.20 H new ATOM 0 HH12 ARG A 11 16.449 9.220 -10.253 1.00 34.20 H new ATOM 0 HH21 ARG A 11 18.099 11.425 -12.340 1.00 11.32 H new ATOM 0 HH22 ARG A 11 18.243 10.126 -11.152 1.00 11.32 H new ATOM 195 N ASN A 12 9.042 10.245 -10.739 1.00 5.04 N ATOM 196 CA ASN A 12 7.647 10.207 -10.266 1.00 44.02 C ATOM 197 C ASN A 12 7.580 10.491 -8.747 1.00 51.11 C ATOM 198 O ASN A 12 7.753 9.592 -7.915 1.00 33.03 O ATOM 199 CB ASN A 12 6.985 8.843 -10.618 1.00 35.01 C ATOM 200 CG ASN A 12 5.496 8.774 -10.249 1.00 1.24 C ATOM 201 OD1 ASN A 12 4.785 9.777 -10.257 1.00 64.30 O ATOM 202 ND2 ASN A 12 5.014 7.593 -9.919 1.00 61.25 N ATOM 0 H ASN A 12 9.459 9.322 -10.863 1.00 5.04 H new ATOM 0 HA ASN A 12 7.086 10.990 -10.776 1.00 44.02 H new ATOM 0 HB2 ASN A 12 7.096 8.659 -11.687 1.00 35.01 H new ATOM 0 HB3 ASN A 12 7.517 8.045 -10.100 1.00 35.01 H new ATOM 0 HD21 ASN A 12 4.031 7.497 -9.663 1.00 61.25 H new ATOM 0 HD22 ASN A 12 5.623 6.775 -9.920 1.00 61.25 H new ATOM 209 N ARG A 13 7.380 11.772 -8.410 1.00 72.41 N ATOM 210 CA ARG A 13 7.196 12.233 -7.025 1.00 22.24 C ATOM 211 C ARG A 13 6.216 13.431 -7.034 1.00 41.21 C ATOM 212 O ARG A 13 6.603 14.594 -6.875 1.00 52.25 O ATOM 213 CB ARG A 13 8.575 12.583 -6.382 1.00 65.55 C ATOM 214 CG ARG A 13 8.541 12.913 -4.868 1.00 25.33 C ATOM 215 CD ARG A 13 8.095 11.725 -3.991 1.00 55.11 C ATOM 216 NE ARG A 13 7.931 12.121 -2.575 1.00 42.43 N ATOM 217 CZ ARG A 13 6.964 11.724 -1.771 1.00 70.33 C ATOM 218 NH1 ARG A 13 6.073 10.866 -2.162 1.00 52.51 N ATOM 219 NH2 ARG A 13 6.909 12.185 -0.562 1.00 15.23 N ATOM 0 H ARG A 13 7.341 12.525 -9.097 1.00 72.41 H new ATOM 0 HA ARG A 13 6.764 11.445 -6.409 1.00 22.24 H new ATOM 0 HB2 ARG A 13 9.252 11.743 -6.538 1.00 65.55 H new ATOM 0 HB3 ARG A 13 8.998 13.436 -6.913 1.00 65.55 H new ATOM 0 HG2 ARG A 13 9.533 13.236 -4.552 1.00 25.33 H new ATOM 0 HG3 ARG A 13 7.865 13.752 -4.702 1.00 25.33 H new ATOM 0 HD2 ARG A 13 7.153 11.327 -4.369 1.00 55.11 H new ATOM 0 HD3 ARG A 13 8.831 10.924 -4.062 1.00 55.11 H new ATOM 0 HE ARG A 13 8.627 12.757 -2.186 1.00 42.43 H new ATOM 0 HH11 ARG A 13 6.112 10.485 -3.107 1.00 52.51 H new ATOM 0 HH12 ARG A 13 5.333 10.572 -1.524 1.00 52.51 H new ATOM 0 HH21 ARG A 13 7.611 12.850 -0.238 1.00 15.23 H new ATOM 0 HH22 ARG A 13 6.164 11.883 0.066 1.00 15.23 H new ATOM 233 N THR A 14 4.937 13.112 -7.296 1.00 33.04 N ATOM 234 CA THR A 14 3.837 14.108 -7.395 1.00 53.41 C ATOM 235 C THR A 14 2.456 13.449 -7.102 1.00 11.42 C ATOM 236 O THR A 14 1.399 14.068 -7.269 1.00 51.30 O ATOM 237 CB THR A 14 3.830 14.786 -8.818 1.00 35.33 C ATOM 238 OG1 THR A 14 2.836 15.831 -8.882 1.00 33.41 O ATOM 239 CG2 THR A 14 3.588 13.767 -9.955 1.00 3.51 C ATOM 0 H THR A 14 4.627 12.152 -7.447 1.00 33.04 H new ATOM 0 HA THR A 14 4.013 14.877 -6.643 1.00 53.41 H new ATOM 0 HB THR A 14 4.821 15.217 -8.963 1.00 35.33 H new ATOM 0 HG1 THR A 14 2.054 15.572 -8.351 1.00 33.41 H new ATOM 0 HG21 THR A 14 3.592 14.284 -10.914 1.00 3.51 H new ATOM 0 HG22 THR A 14 4.378 13.016 -9.944 1.00 3.51 H new ATOM 0 HG23 THR A 14 2.623 13.281 -9.809 1.00 3.51 H new ATOM 247 N THR A 15 2.491 12.193 -6.625 1.00 64.31 N ATOM 248 CA THR A 15 1.295 11.338 -6.446 1.00 12.02 C ATOM 249 C THR A 15 0.988 11.093 -4.943 1.00 44.50 C ATOM 250 O THR A 15 -0.030 11.560 -4.416 1.00 20.32 O ATOM 251 CB THR A 15 1.516 9.968 -7.181 1.00 3.24 C ATOM 252 OG1 THR A 15 1.790 10.189 -8.576 1.00 33.43 O ATOM 253 CG2 THR A 15 0.310 9.025 -7.045 1.00 61.52 C ATOM 0 H THR A 15 3.359 11.733 -6.348 1.00 64.31 H new ATOM 0 HA THR A 15 0.438 11.855 -6.878 1.00 12.02 H new ATOM 0 HB THR A 15 2.370 9.489 -6.701 1.00 3.24 H new ATOM 0 HG1 THR A 15 1.928 9.328 -9.023 1.00 33.43 H new ATOM 0 HG21 THR A 15 0.516 8.093 -7.571 1.00 61.52 H new ATOM 0 HG22 THR A 15 0.130 8.814 -5.991 1.00 61.52 H new ATOM 0 HG23 THR A 15 -0.572 9.498 -7.476 1.00 61.52 H new ATOM 261 N PHE A 16 1.885 10.354 -4.265 1.00 4.02 N ATOM 262 CA PHE A 16 1.700 9.937 -2.856 1.00 21.22 C ATOM 263 C PHE A 16 2.246 11.004 -1.880 1.00 35.54 C ATOM 264 O PHE A 16 3.369 11.489 -2.058 1.00 53.13 O ATOM 265 CB PHE A 16 2.419 8.584 -2.603 1.00 61.34 C ATOM 266 CG PHE A 16 2.036 7.477 -3.587 1.00 23.34 C ATOM 267 CD1 PHE A 16 0.812 6.824 -3.484 1.00 23.13 C ATOM 268 CD2 PHE A 16 2.901 7.089 -4.615 1.00 42.23 C ATOM 269 CE1 PHE A 16 0.460 5.824 -4.372 1.00 2.31 C ATOM 270 CE2 PHE A 16 2.548 6.086 -5.503 1.00 54.33 C ATOM 271 CZ PHE A 16 1.325 5.454 -5.381 1.00 5.03 C ATOM 0 H PHE A 16 2.760 10.027 -4.675 1.00 4.02 H new ATOM 0 HA PHE A 16 0.631 9.823 -2.678 1.00 21.22 H new ATOM 0 HB2 PHE A 16 3.496 8.743 -2.653 1.00 61.34 H new ATOM 0 HB3 PHE A 16 2.193 8.249 -1.591 1.00 61.34 H new ATOM 0 HD1 PHE A 16 0.126 7.102 -2.698 1.00 23.13 H new ATOM 0 HD2 PHE A 16 3.858 7.578 -4.718 1.00 42.23 H new ATOM 0 HE1 PHE A 16 -0.496 5.331 -4.275 1.00 2.31 H new ATOM 0 HE2 PHE A 16 3.229 5.798 -6.291 1.00 54.33 H new ATOM 0 HZ PHE A 16 1.047 4.673 -6.073 1.00 5.03 H new ATOM 281 N THR A 17 1.457 11.365 -0.849 1.00 1.41 N ATOM 282 CA THR A 17 1.923 12.282 0.228 1.00 23.24 C ATOM 283 C THR A 17 2.869 11.533 1.202 1.00 43.30 C ATOM 284 O THR A 17 2.968 10.299 1.152 1.00 42.14 O ATOM 285 CB THR A 17 0.731 12.907 1.045 1.00 61.13 C ATOM 286 OG1 THR A 17 0.130 11.921 1.912 1.00 2.32 O ATOM 287 CG2 THR A 17 -0.352 13.493 0.116 1.00 30.22 C ATOM 0 H THR A 17 0.497 11.041 -0.733 1.00 1.41 H new ATOM 0 HA THR A 17 2.456 13.096 -0.263 1.00 23.24 H new ATOM 0 HB THR A 17 1.148 13.715 1.646 1.00 61.13 H new ATOM 0 HG1 THR A 17 -0.607 12.330 2.412 1.00 2.32 H new ATOM 0 HG21 THR A 17 -1.158 13.915 0.717 1.00 30.22 H new ATOM 0 HG22 THR A 17 0.085 14.275 -0.505 1.00 30.22 H new ATOM 0 HG23 THR A 17 -0.750 12.704 -0.522 1.00 30.22 H new ATOM 295 N SER A 18 3.550 12.274 2.095 1.00 21.44 N ATOM 296 CA SER A 18 4.443 11.666 3.115 1.00 62.21 C ATOM 297 C SER A 18 3.635 10.799 4.112 1.00 61.40 C ATOM 298 O SER A 18 4.071 9.709 4.479 1.00 43.03 O ATOM 299 CB SER A 18 5.240 12.759 3.858 1.00 13.14 C ATOM 300 OG SER A 18 6.092 13.469 2.967 1.00 2.10 O ATOM 0 H SER A 18 3.503 13.292 2.136 1.00 21.44 H new ATOM 0 HA SER A 18 5.151 11.015 2.603 1.00 62.21 H new ATOM 0 HB2 SER A 18 4.550 13.454 4.337 1.00 13.14 H new ATOM 0 HB3 SER A 18 5.835 12.304 4.650 1.00 13.14 H new ATOM 0 HG SER A 18 6.584 14.156 3.463 1.00 2.10 H new ATOM 306 N TYR A 19 2.439 11.290 4.509 1.00 72.42 N ATOM 307 CA TYR A 19 1.468 10.527 5.341 1.00 33.22 C ATOM 308 C TYR A 19 1.063 9.186 4.671 1.00 62.23 C ATOM 309 O TYR A 19 0.999 8.137 5.329 1.00 70.34 O ATOM 310 CB TYR A 19 0.207 11.402 5.617 1.00 65.10 C ATOM 311 CG TYR A 19 -1.025 10.623 6.110 1.00 2.21 C ATOM 312 CD1 TYR A 19 -1.059 10.041 7.383 1.00 1.34 C ATOM 313 CD2 TYR A 19 -2.145 10.444 5.288 1.00 31.12 C ATOM 314 CE1 TYR A 19 -2.159 9.322 7.811 1.00 65.35 C ATOM 315 CE2 TYR A 19 -3.241 9.725 5.713 1.00 61.55 C ATOM 316 CZ TYR A 19 -3.245 9.169 6.973 1.00 51.10 C ATOM 317 OH TYR A 19 -4.341 8.456 7.398 1.00 74.11 O ATOM 0 H TYR A 19 2.116 12.226 4.264 1.00 72.42 H new ATOM 0 HA TYR A 19 1.953 10.283 6.286 1.00 33.22 H new ATOM 0 HB2 TYR A 19 0.462 12.158 6.360 1.00 65.10 H new ATOM 0 HB3 TYR A 19 -0.058 11.931 4.702 1.00 65.10 H new ATOM 0 HD1 TYR A 19 -0.211 10.156 8.042 1.00 1.34 H new ATOM 0 HD2 TYR A 19 -2.150 10.879 4.300 1.00 31.12 H new ATOM 0 HE1 TYR A 19 -2.169 8.882 8.797 1.00 65.35 H new ATOM 0 HE2 TYR A 19 -4.093 9.598 5.061 1.00 61.55 H new ATOM 0 HH TYR A 19 -4.865 8.168 6.622 1.00 74.11 H new ATOM 327 N GLN A 20 0.756 9.259 3.370 1.00 14.31 N ATOM 328 CA GLN A 20 0.389 8.081 2.563 1.00 62.14 C ATOM 329 C GLN A 20 1.516 7.031 2.555 1.00 44.23 C ATOM 330 O GLN A 20 1.260 5.860 2.803 1.00 10.42 O ATOM 331 CB GLN A 20 -0.004 8.516 1.126 1.00 74.15 C ATOM 332 CG GLN A 20 -1.376 9.215 1.057 1.00 65.50 C ATOM 333 CD GLN A 20 -1.705 9.823 -0.302 1.00 5.41 C ATOM 334 OE1 GLN A 20 -1.188 9.410 -1.333 1.00 53.20 O ATOM 335 NE2 GLN A 20 -2.600 10.786 -0.313 1.00 4.22 N ATOM 0 H GLN A 20 0.754 10.133 2.845 1.00 14.31 H new ATOM 0 HA GLN A 20 -0.479 7.607 3.021 1.00 62.14 H new ATOM 0 HB2 GLN A 20 0.759 9.189 0.735 1.00 74.15 H new ATOM 0 HB3 GLN A 20 -0.017 7.639 0.479 1.00 74.15 H new ATOM 0 HG2 GLN A 20 -2.151 8.494 1.316 1.00 65.50 H new ATOM 0 HG3 GLN A 20 -1.408 10.002 1.811 1.00 65.50 H new ATOM 0 HE21 GLN A 20 -3.013 11.109 0.562 1.00 4.22 H new ATOM 0 HE22 GLN A 20 -2.882 11.210 -1.197 1.00 4.22 H new ATOM 344 N LEU A 21 2.767 7.482 2.331 1.00 11.13 N ATOM 345 CA LEU A 21 3.958 6.595 2.351 1.00 25.13 C ATOM 346 C LEU A 21 4.172 5.916 3.729 1.00 63.24 C ATOM 347 O LEU A 21 4.686 4.801 3.783 1.00 34.32 O ATOM 348 CB LEU A 21 5.238 7.375 1.961 1.00 23.13 C ATOM 349 CG LEU A 21 5.278 7.970 0.522 1.00 44.34 C ATOM 350 CD1 LEU A 21 6.614 8.697 0.268 1.00 24.30 C ATOM 351 CD2 LEU A 21 5.018 6.884 -0.544 1.00 53.42 C ATOM 0 H LEU A 21 2.984 8.459 2.133 1.00 11.13 H new ATOM 0 HA LEU A 21 3.766 5.813 1.616 1.00 25.13 H new ATOM 0 HB2 LEU A 21 5.370 8.191 2.671 1.00 23.13 H new ATOM 0 HB3 LEU A 21 6.093 6.709 2.079 1.00 23.13 H new ATOM 0 HG LEU A 21 4.475 8.703 0.440 1.00 44.34 H new ATOM 0 HD11 LEU A 21 6.620 9.105 -0.743 1.00 24.30 H new ATOM 0 HD12 LEU A 21 6.729 9.508 0.987 1.00 24.30 H new ATOM 0 HD13 LEU A 21 7.438 7.993 0.380 1.00 24.30 H new ATOM 0 HD21 LEU A 21 5.053 7.333 -1.537 1.00 53.42 H new ATOM 0 HD22 LEU A 21 5.782 6.110 -0.469 1.00 53.42 H new ATOM 0 HD23 LEU A 21 4.035 6.441 -0.380 1.00 53.42 H new ATOM 363 N GLU A 22 3.789 6.603 4.832 1.00 22.33 N ATOM 364 CA GLU A 22 3.871 6.037 6.205 1.00 2.00 C ATOM 365 C GLU A 22 3.014 4.756 6.335 1.00 42.43 C ATOM 366 O GLU A 22 3.509 3.717 6.772 1.00 12.32 O ATOM 367 CB GLU A 22 3.428 7.091 7.262 1.00 41.33 C ATOM 368 CG GLU A 22 4.361 8.315 7.362 1.00 2.24 C ATOM 369 CD GLU A 22 3.897 9.390 8.361 1.00 63.14 C ATOM 370 OE1 GLU A 22 3.835 9.093 9.572 1.00 45.32 O ATOM 371 OE2 GLU A 22 3.637 10.544 7.954 1.00 4.14 O ATOM 0 H GLU A 22 3.419 7.553 4.800 1.00 22.33 H new ATOM 0 HA GLU A 22 4.911 5.770 6.391 1.00 2.00 H new ATOM 0 HB2 GLU A 22 2.422 7.433 7.018 1.00 41.33 H new ATOM 0 HB3 GLU A 22 3.373 6.609 8.238 1.00 41.33 H new ATOM 0 HG2 GLU A 22 5.356 7.975 7.649 1.00 2.24 H new ATOM 0 HG3 GLU A 22 4.452 8.769 6.375 1.00 2.24 H new ATOM 378 N GLU A 23 1.742 4.843 5.912 1.00 25.12 N ATOM 379 CA GLU A 23 0.791 3.706 5.963 1.00 4.23 C ATOM 380 C GLU A 23 1.069 2.639 4.870 1.00 62.41 C ATOM 381 O GLU A 23 0.873 1.449 5.111 1.00 52.20 O ATOM 382 CB GLU A 23 -0.665 4.226 5.859 1.00 4.13 C ATOM 383 CG GLU A 23 -1.152 5.018 7.091 1.00 1.53 C ATOM 384 CD GLU A 23 -1.188 4.166 8.380 1.00 23.43 C ATOM 385 OE1 GLU A 23 -2.034 3.246 8.474 1.00 33.10 O ATOM 386 OE2 GLU A 23 -0.383 4.409 9.307 1.00 5.32 O ATOM 0 H GLU A 23 1.340 5.697 5.526 1.00 25.12 H new ATOM 0 HA GLU A 23 0.933 3.211 6.924 1.00 4.23 H new ATOM 0 HB2 GLU A 23 -0.748 4.862 4.978 1.00 4.13 H new ATOM 0 HB3 GLU A 23 -1.330 3.377 5.703 1.00 4.13 H new ATOM 0 HG2 GLU A 23 -0.498 5.876 7.247 1.00 1.53 H new ATOM 0 HG3 GLU A 23 -2.150 5.410 6.893 1.00 1.53 H new ATOM 393 N LEU A 24 1.513 3.077 3.674 1.00 71.33 N ATOM 394 CA LEU A 24 1.872 2.166 2.550 1.00 44.00 C ATOM 395 C LEU A 24 3.053 1.235 2.947 1.00 13.32 C ATOM 396 O LEU A 24 2.982 0.012 2.766 1.00 45.42 O ATOM 397 CB LEU A 24 2.219 2.991 1.274 1.00 54.45 C ATOM 398 CG LEU A 24 1.015 3.689 0.546 1.00 32.31 C ATOM 399 CD1 LEU A 24 1.502 4.728 -0.490 1.00 15.31 C ATOM 400 CD2 LEU A 24 0.082 2.654 -0.118 1.00 55.31 C ATOM 0 H LEU A 24 1.635 4.065 3.453 1.00 71.33 H new ATOM 0 HA LEU A 24 1.010 1.536 2.328 1.00 44.00 H new ATOM 0 HB2 LEU A 24 2.943 3.758 1.549 1.00 54.45 H new ATOM 0 HB3 LEU A 24 2.711 2.329 0.562 1.00 54.45 H new ATOM 0 HG LEU A 24 0.444 4.219 1.308 1.00 32.31 H new ATOM 0 HD11 LEU A 24 0.642 5.190 -0.974 1.00 15.31 H new ATOM 0 HD12 LEU A 24 2.091 5.495 0.013 1.00 15.31 H new ATOM 0 HD13 LEU A 24 2.117 4.232 -1.241 1.00 15.31 H new ATOM 0 HD21 LEU A 24 -0.741 3.170 -0.613 1.00 55.31 H new ATOM 0 HD22 LEU A 24 0.643 2.077 -0.853 1.00 55.31 H new ATOM 0 HD23 LEU A 24 -0.316 1.982 0.643 1.00 55.31 H new ATOM 412 N GLU A 25 4.137 1.842 3.484 1.00 15.12 N ATOM 413 CA GLU A 25 5.284 1.103 4.065 1.00 20.44 C ATOM 414 C GLU A 25 4.844 0.223 5.254 1.00 41.23 C ATOM 415 O GLU A 25 5.231 -0.930 5.340 1.00 13.21 O ATOM 416 CB GLU A 25 6.403 2.084 4.524 1.00 23.52 C ATOM 417 CG GLU A 25 7.222 2.733 3.387 1.00 32.22 C ATOM 418 CD GLU A 25 8.133 1.760 2.599 1.00 63.43 C ATOM 419 OE1 GLU A 25 8.498 0.670 3.117 1.00 22.03 O ATOM 420 OE2 GLU A 25 8.510 2.091 1.457 1.00 53.00 O ATOM 0 H GLU A 25 4.242 2.856 3.527 1.00 15.12 H new ATOM 0 HA GLU A 25 5.679 0.455 3.283 1.00 20.44 H new ATOM 0 HB2 GLU A 25 5.947 2.876 5.118 1.00 23.52 H new ATOM 0 HB3 GLU A 25 7.087 1.546 5.181 1.00 23.52 H new ATOM 0 HG2 GLU A 25 6.533 3.208 2.689 1.00 32.22 H new ATOM 0 HG3 GLU A 25 7.841 3.524 3.811 1.00 32.22 H new ATOM 427 N LYS A 26 4.021 0.789 6.153 1.00 63.31 N ATOM 428 CA LYS A 26 3.505 0.088 7.361 1.00 3.30 C ATOM 429 C LYS A 26 2.756 -1.230 7.010 1.00 44.00 C ATOM 430 O LYS A 26 2.921 -2.246 7.693 1.00 75.42 O ATOM 431 CB LYS A 26 2.611 1.073 8.159 1.00 42.52 C ATOM 432 CG LYS A 26 1.821 0.487 9.351 1.00 31.20 C ATOM 433 CD LYS A 26 1.284 1.594 10.306 1.00 13.42 C ATOM 434 CE LYS A 26 0.048 1.164 11.112 1.00 62.33 C ATOM 435 NZ LYS A 26 -1.163 1.091 10.251 1.00 20.31 N ATOM 0 H LYS A 26 3.688 1.750 6.070 1.00 63.31 H new ATOM 0 HA LYS A 26 4.348 -0.219 7.980 1.00 3.30 H new ATOM 0 HB2 LYS A 26 3.243 1.878 8.533 1.00 42.52 H new ATOM 0 HB3 LYS A 26 1.899 1.522 7.467 1.00 42.52 H new ATOM 0 HG2 LYS A 26 0.985 -0.102 8.975 1.00 31.20 H new ATOM 0 HG3 LYS A 26 2.464 -0.192 9.911 1.00 31.20 H new ATOM 0 HD2 LYS A 26 2.076 1.882 10.997 1.00 13.42 H new ATOM 0 HD3 LYS A 26 1.036 2.479 9.720 1.00 13.42 H new ATOM 0 HE2 LYS A 26 0.230 0.192 11.569 1.00 62.33 H new ATOM 0 HE3 LYS A 26 -0.123 1.871 11.924 1.00 62.33 H new ATOM 0 HZ1 LYS A 26 -2.002 0.932 10.845 1.00 20.31 H new ATOM 0 HZ2 LYS A 26 -1.272 1.984 9.729 1.00 20.31 H new ATOM 0 HZ3 LYS A 26 -1.062 0.306 9.576 1.00 20.31 H new ATOM 449 N VAL A 27 1.962 -1.205 5.926 1.00 1.04 N ATOM 450 CA VAL A 27 1.294 -2.417 5.382 1.00 14.32 C ATOM 451 C VAL A 27 2.326 -3.371 4.717 1.00 53.14 C ATOM 452 O VAL A 27 2.239 -4.585 4.889 1.00 12.54 O ATOM 453 CB VAL A 27 0.149 -2.037 4.364 1.00 34.21 C ATOM 454 CG1 VAL A 27 -0.456 -3.285 3.664 1.00 33.32 C ATOM 455 CG2 VAL A 27 -0.964 -1.228 5.078 1.00 35.43 C ATOM 0 H VAL A 27 1.761 -0.355 5.400 1.00 1.04 H new ATOM 0 HA VAL A 27 0.834 -2.941 6.220 1.00 14.32 H new ATOM 0 HB VAL A 27 0.601 -1.419 3.589 1.00 34.21 H new ATOM 0 HG11 VAL A 27 -1.239 -2.971 2.974 1.00 33.32 H new ATOM 0 HG12 VAL A 27 0.326 -3.808 3.113 1.00 33.32 H new ATOM 0 HG13 VAL A 27 -0.880 -3.953 4.414 1.00 33.32 H new ATOM 0 HG21 VAL A 27 -1.746 -0.974 4.362 1.00 35.43 H new ATOM 0 HG22 VAL A 27 -1.390 -1.827 5.883 1.00 35.43 H new ATOM 0 HG23 VAL A 27 -0.540 -0.313 5.492 1.00 35.43 H new ATOM 465 N PHE A 28 3.314 -2.798 4.000 1.00 52.34 N ATOM 466 CA PHE A 28 4.380 -3.570 3.305 1.00 60.23 C ATOM 467 C PHE A 28 5.268 -4.369 4.297 1.00 15.31 C ATOM 468 O PHE A 28 5.668 -5.496 4.008 1.00 62.33 O ATOM 469 CB PHE A 28 5.266 -2.619 2.446 1.00 63.23 C ATOM 470 CG PHE A 28 6.345 -3.334 1.621 1.00 62.34 C ATOM 471 CD1 PHE A 28 6.012 -4.023 0.452 1.00 44.52 C ATOM 472 CD2 PHE A 28 7.689 -3.333 2.014 1.00 10.53 C ATOM 473 CE1 PHE A 28 6.977 -4.682 -0.291 1.00 34.30 C ATOM 474 CE2 PHE A 28 8.653 -3.991 1.268 1.00 3.10 C ATOM 475 CZ PHE A 28 8.297 -4.667 0.117 1.00 2.21 C ATOM 0 H PHE A 28 3.401 -1.788 3.883 1.00 52.34 H new ATOM 0 HA PHE A 28 3.883 -4.290 2.655 1.00 60.23 H new ATOM 0 HB2 PHE A 28 4.623 -2.055 1.770 1.00 63.23 H new ATOM 0 HB3 PHE A 28 5.748 -1.897 3.105 1.00 63.23 H new ATOM 0 HD1 PHE A 28 4.984 -4.042 0.122 1.00 44.52 H new ATOM 0 HD2 PHE A 28 7.979 -2.811 2.914 1.00 10.53 H new ATOM 0 HE1 PHE A 28 6.697 -5.209 -1.191 1.00 34.30 H new ATOM 0 HE2 PHE A 28 9.685 -3.976 1.587 1.00 3.10 H new ATOM 0 HZ PHE A 28 9.049 -5.182 -0.462 1.00 2.21 H new ATOM 485 N GLN A 29 5.577 -3.771 5.460 1.00 52.51 N ATOM 486 CA GLN A 29 6.488 -4.381 6.459 1.00 71.10 C ATOM 487 C GLN A 29 5.789 -5.510 7.249 1.00 65.43 C ATOM 488 O GLN A 29 6.443 -6.458 7.697 1.00 74.11 O ATOM 489 CB GLN A 29 7.047 -3.293 7.416 1.00 3.43 C ATOM 490 CG GLN A 29 7.775 -2.128 6.702 1.00 73.42 C ATOM 491 CD GLN A 29 8.938 -2.559 5.797 1.00 64.44 C ATOM 492 OE1 GLN A 29 9.633 -3.536 6.065 1.00 34.23 O ATOM 493 NE2 GLN A 29 9.158 -1.834 4.712 1.00 21.13 N ATOM 0 H GLN A 29 5.210 -2.861 5.738 1.00 52.51 H new ATOM 0 HA GLN A 29 7.323 -4.831 5.923 1.00 71.10 H new ATOM 0 HB2 GLN A 29 6.224 -2.886 8.004 1.00 3.43 H new ATOM 0 HB3 GLN A 29 7.738 -3.762 8.117 1.00 3.43 H new ATOM 0 HG2 GLN A 29 7.050 -1.577 6.102 1.00 73.42 H new ATOM 0 HG3 GLN A 29 8.155 -1.438 7.456 1.00 73.42 H new ATOM 0 HE21 GLN A 29 8.568 -1.027 4.510 1.00 21.13 H new ATOM 0 HE22 GLN A 29 9.918 -2.082 4.078 1.00 21.13 H new ATOM 502 N LYS A 30 4.459 -5.387 7.430 1.00 21.13 N ATOM 503 CA LYS A 30 3.619 -6.482 7.983 1.00 72.20 C ATOM 504 C LYS A 30 3.475 -7.625 6.948 1.00 32.23 C ATOM 505 O LYS A 30 3.687 -8.804 7.256 1.00 44.53 O ATOM 506 CB LYS A 30 2.206 -5.958 8.361 1.00 15.01 C ATOM 507 CG LYS A 30 2.182 -4.861 9.443 1.00 75.01 C ATOM 508 CD LYS A 30 0.743 -4.375 9.748 1.00 41.43 C ATOM 509 CE LYS A 30 0.696 -3.277 10.827 1.00 62.30 C ATOM 510 NZ LYS A 30 -0.699 -2.878 11.140 1.00 62.15 N ATOM 0 H LYS A 30 3.937 -4.541 7.202 1.00 21.13 H new ATOM 0 HA LYS A 30 4.111 -6.860 8.879 1.00 72.20 H new ATOM 0 HB2 LYS A 30 1.727 -5.570 7.462 1.00 15.01 H new ATOM 0 HB3 LYS A 30 1.604 -6.799 8.705 1.00 15.01 H new ATOM 0 HG2 LYS A 30 2.636 -5.244 10.357 1.00 75.01 H new ATOM 0 HG3 LYS A 30 2.788 -4.016 9.116 1.00 75.01 H new ATOM 0 HD2 LYS A 30 0.291 -3.996 8.831 1.00 41.43 H new ATOM 0 HD3 LYS A 30 0.140 -5.223 10.073 1.00 41.43 H new ATOM 0 HE2 LYS A 30 1.185 -3.635 11.733 1.00 62.30 H new ATOM 0 HE3 LYS A 30 1.256 -2.406 10.486 1.00 62.30 H new ATOM 0 HZ1 LYS A 30 -0.693 -2.137 11.870 1.00 62.15 H new ATOM 0 HZ2 LYS A 30 -1.157 -2.513 10.280 1.00 62.15 H new ATOM 0 HZ3 LYS A 30 -1.226 -3.704 11.489 1.00 62.15 H new ATOM 524 N THR A 31 3.112 -7.229 5.714 1.00 52.42 N ATOM 525 CA THR A 31 2.840 -8.146 4.591 1.00 2.13 C ATOM 526 C THR A 31 3.278 -7.494 3.253 1.00 14.10 C ATOM 527 O THR A 31 2.677 -6.521 2.786 1.00 52.42 O ATOM 528 CB THR A 31 1.319 -8.569 4.544 1.00 64.24 C ATOM 529 OG1 THR A 31 1.050 -9.364 3.372 1.00 2.12 O ATOM 530 CG2 THR A 31 0.343 -7.368 4.598 1.00 73.22 C ATOM 0 H THR A 31 2.998 -6.247 5.465 1.00 52.42 H new ATOM 0 HA THR A 31 3.422 -9.054 4.745 1.00 2.13 H new ATOM 0 HB THR A 31 1.143 -9.160 5.443 1.00 64.24 H new ATOM 0 HG1 THR A 31 0.513 -8.843 2.739 1.00 2.12 H new ATOM 0 HG21 THR A 31 -0.684 -7.732 4.562 1.00 73.22 H new ATOM 0 HG22 THR A 31 0.499 -6.814 5.523 1.00 73.22 H new ATOM 0 HG23 THR A 31 0.526 -6.712 3.747 1.00 73.22 H new ATOM 538 N HIS A 32 4.368 -8.029 2.659 1.00 5.11 N ATOM 539 CA HIS A 32 4.934 -7.520 1.378 1.00 65.12 C ATOM 540 C HIS A 32 3.914 -7.619 0.220 1.00 61.00 C ATOM 541 O HIS A 32 3.951 -6.831 -0.732 1.00 2.54 O ATOM 542 CB HIS A 32 6.236 -8.287 1.010 1.00 41.14 C ATOM 543 CG HIS A 32 7.405 -8.030 1.930 1.00 10.23 C ATOM 544 ND1 HIS A 32 8.710 -7.967 1.484 1.00 51.23 N ATOM 545 CD2 HIS A 32 7.470 -7.839 3.269 1.00 5.02 C ATOM 546 CE1 HIS A 32 9.509 -7.739 2.502 1.00 40.41 C ATOM 547 NE2 HIS A 32 8.787 -7.657 3.594 1.00 71.44 N ATOM 0 H HIS A 32 4.881 -8.821 3.047 1.00 5.11 H new ATOM 0 HA HIS A 32 5.171 -6.466 1.525 1.00 65.12 H new ATOM 0 HB2 HIS A 32 6.022 -9.356 1.007 1.00 41.14 H new ATOM 0 HB3 HIS A 32 6.525 -8.017 -0.006 1.00 41.14 H new ATOM 0 HD2 HIS A 32 6.636 -7.832 3.955 1.00 5.02 H new ATOM 0 HE1 HIS A 32 10.583 -7.636 2.448 1.00 40.41 H new ATOM 0 HE2 HIS A 32 9.148 -7.486 4.532 1.00 71.44 H new ATOM 556 N TYR A 33 3.006 -8.601 0.333 1.00 62.40 N ATOM 557 CA TYR A 33 1.938 -8.853 -0.649 1.00 34.20 C ATOM 558 C TYR A 33 0.557 -8.664 0.044 1.00 45.12 C ATOM 559 O TYR A 33 0.029 -9.618 0.628 1.00 2.14 O ATOM 560 CB TYR A 33 2.090 -10.296 -1.224 1.00 65.14 C ATOM 561 CG TYR A 33 3.539 -10.675 -1.571 1.00 24.43 C ATOM 562 CD1 TYR A 33 4.162 -10.193 -2.723 1.00 22.40 C ATOM 563 CD2 TYR A 33 4.302 -11.478 -0.714 1.00 63.43 C ATOM 564 CE1 TYR A 33 5.481 -10.507 -3.012 1.00 74.32 C ATOM 565 CE2 TYR A 33 5.619 -11.787 -0.995 1.00 64.32 C ATOM 566 CZ TYR A 33 6.204 -11.300 -2.144 1.00 44.02 C ATOM 567 OH TYR A 33 7.522 -11.606 -2.418 1.00 31.50 O ATOM 0 H TYR A 33 2.992 -9.251 1.119 1.00 62.40 H new ATOM 0 HA TYR A 33 2.010 -8.149 -1.478 1.00 34.20 H new ATOM 0 HB2 TYR A 33 1.701 -11.010 -0.497 1.00 65.14 H new ATOM 0 HB3 TYR A 33 1.476 -10.387 -2.120 1.00 65.14 H new ATOM 0 HD1 TYR A 33 3.606 -9.564 -3.402 1.00 22.40 H new ATOM 0 HD2 TYR A 33 3.850 -11.865 0.188 1.00 63.43 H new ATOM 0 HE1 TYR A 33 5.942 -10.132 -3.914 1.00 74.32 H new ATOM 0 HE2 TYR A 33 6.187 -12.407 -0.318 1.00 64.32 H new ATOM 0 HH TYR A 33 7.882 -12.172 -1.704 1.00 31.50 H new ATOM 577 N PRO A 34 -0.022 -7.412 0.070 1.00 51.51 N ATOM 578 CA PRO A 34 -1.350 -7.157 0.689 1.00 51.14 C ATOM 579 C PRO A 34 -2.521 -7.812 -0.096 1.00 75.31 C ATOM 580 O PRO A 34 -2.585 -7.731 -1.331 1.00 41.01 O ATOM 581 CB PRO A 34 -1.459 -5.605 0.676 1.00 14.41 C ATOM 582 CG PRO A 34 -0.596 -5.189 -0.472 1.00 24.14 C ATOM 583 CD PRO A 34 0.573 -6.153 -0.453 1.00 4.43 C ATOM 0 HA PRO A 34 -1.425 -7.591 1.686 1.00 51.14 H new ATOM 0 HB2 PRO A 34 -2.490 -5.279 0.539 1.00 14.41 H new ATOM 0 HB3 PRO A 34 -1.110 -5.173 1.614 1.00 14.41 H new ATOM 0 HG2 PRO A 34 -1.139 -5.246 -1.415 1.00 24.14 H new ATOM 0 HG3 PRO A 34 -0.260 -4.158 -0.360 1.00 24.14 H new ATOM 0 HD2 PRO A 34 0.995 -6.292 -1.449 1.00 4.43 H new ATOM 0 HD3 PRO A 34 1.379 -5.794 0.187 1.00 4.43 H new ATOM 591 N ASP A 35 -3.422 -8.477 0.638 1.00 52.10 N ATOM 592 CA ASP A 35 -4.659 -9.070 0.078 1.00 2.52 C ATOM 593 C ASP A 35 -5.757 -7.986 -0.126 1.00 33.12 C ATOM 594 O ASP A 35 -5.507 -6.795 0.095 1.00 61.41 O ATOM 595 CB ASP A 35 -5.147 -10.196 1.022 1.00 35.12 C ATOM 596 CG ASP A 35 -5.411 -9.691 2.453 1.00 35.00 C ATOM 597 OD1 ASP A 35 -4.447 -9.564 3.241 1.00 72.32 O ATOM 598 OD2 ASP A 35 -6.574 -9.405 2.790 1.00 71.04 O ATOM 0 H ASP A 35 -3.320 -8.624 1.642 1.00 52.10 H new ATOM 0 HA ASP A 35 -4.446 -9.493 -0.904 1.00 2.52 H new ATOM 0 HB2 ASP A 35 -6.061 -10.633 0.620 1.00 35.12 H new ATOM 0 HB3 ASP A 35 -4.401 -10.990 1.052 1.00 35.12 H new ATOM 603 N VAL A 36 -6.970 -8.415 -0.536 1.00 64.54 N ATOM 604 CA VAL A 36 -8.120 -7.505 -0.786 1.00 31.12 C ATOM 605 C VAL A 36 -8.502 -6.688 0.482 1.00 73.14 C ATOM 606 O VAL A 36 -8.713 -5.478 0.407 1.00 30.12 O ATOM 607 CB VAL A 36 -9.374 -8.309 -1.326 1.00 4.22 C ATOM 608 CG1 VAL A 36 -9.885 -9.361 -0.298 1.00 2.05 C ATOM 609 CG2 VAL A 36 -10.517 -7.353 -1.770 1.00 52.34 C ATOM 0 H VAL A 36 -7.184 -9.398 -0.704 1.00 64.54 H new ATOM 0 HA VAL A 36 -7.805 -6.796 -1.552 1.00 31.12 H new ATOM 0 HB VAL A 36 -9.040 -8.858 -2.206 1.00 4.22 H new ATOM 0 HG11 VAL A 36 -10.745 -9.887 -0.713 1.00 2.05 H new ATOM 0 HG12 VAL A 36 -9.091 -10.076 -0.084 1.00 2.05 H new ATOM 0 HG13 VAL A 36 -10.177 -8.857 0.623 1.00 2.05 H new ATOM 0 HG21 VAL A 36 -11.361 -7.939 -2.135 1.00 52.34 H new ATOM 0 HG22 VAL A 36 -10.835 -6.748 -0.921 1.00 52.34 H new ATOM 0 HG23 VAL A 36 -10.157 -6.701 -2.566 1.00 52.34 H new ATOM 619 N TYR A 37 -8.511 -7.363 1.648 1.00 25.32 N ATOM 620 CA TYR A 37 -8.922 -6.770 2.944 1.00 53.21 C ATOM 621 C TYR A 37 -7.833 -5.815 3.483 1.00 32.42 C ATOM 622 O TYR A 37 -8.142 -4.767 4.058 1.00 33.01 O ATOM 623 CB TYR A 37 -9.240 -7.898 3.959 1.00 62.52 C ATOM 624 CG TYR A 37 -9.761 -7.413 5.316 1.00 4.13 C ATOM 625 CD1 TYR A 37 -11.055 -6.906 5.437 1.00 31.33 C ATOM 626 CD2 TYR A 37 -8.973 -7.469 6.469 1.00 53.22 C ATOM 627 CE1 TYR A 37 -11.541 -6.472 6.654 1.00 64.32 C ATOM 628 CE2 TYR A 37 -9.454 -7.039 7.688 1.00 74.11 C ATOM 629 CZ TYR A 37 -10.738 -6.542 7.778 1.00 35.22 C ATOM 630 OH TYR A 37 -11.223 -6.108 8.992 1.00 11.02 O ATOM 0 H TYR A 37 -8.232 -8.341 1.722 1.00 25.32 H new ATOM 0 HA TYR A 37 -9.825 -6.178 2.793 1.00 53.21 H new ATOM 0 HB2 TYR A 37 -9.981 -8.566 3.519 1.00 62.52 H new ATOM 0 HB3 TYR A 37 -8.337 -8.487 4.121 1.00 62.52 H new ATOM 0 HD1 TYR A 37 -11.688 -6.852 4.563 1.00 31.33 H new ATOM 0 HD2 TYR A 37 -7.967 -7.857 6.404 1.00 53.22 H new ATOM 0 HE1 TYR A 37 -12.544 -6.079 6.728 1.00 64.32 H new ATOM 0 HE2 TYR A 37 -8.829 -7.091 8.567 1.00 74.11 H new ATOM 0 HH TYR A 37 -10.535 -6.226 9.680 1.00 11.02 H new ATOM 640 N ALA A 38 -6.556 -6.192 3.272 1.00 11.45 N ATOM 641 CA ALA A 38 -5.396 -5.315 3.568 1.00 45.31 C ATOM 642 C ALA A 38 -5.461 -4.002 2.742 1.00 14.34 C ATOM 643 O ALA A 38 -5.069 -2.934 3.227 1.00 73.15 O ATOM 644 CB ALA A 38 -4.085 -6.063 3.303 1.00 50.43 C ATOM 0 H ALA A 38 -6.297 -7.104 2.895 1.00 11.45 H new ATOM 0 HA ALA A 38 -5.433 -5.043 4.623 1.00 45.31 H new ATOM 0 HB1 ALA A 38 -3.242 -5.409 3.524 1.00 50.43 H new ATOM 0 HB2 ALA A 38 -4.035 -6.947 3.939 1.00 50.43 H new ATOM 0 HB3 ALA A 38 -4.044 -6.367 2.257 1.00 50.43 H new ATOM 650 N ARG A 39 -5.974 -4.103 1.496 1.00 55.01 N ATOM 651 CA ARG A 39 -6.200 -2.936 0.612 1.00 65.02 C ATOM 652 C ARG A 39 -7.443 -2.122 1.034 1.00 44.34 C ATOM 653 O ARG A 39 -7.468 -0.919 0.813 1.00 71.51 O ATOM 654 CB ARG A 39 -6.368 -3.371 -0.862 1.00 22.13 C ATOM 655 CG ARG A 39 -5.116 -3.991 -1.510 1.00 53.13 C ATOM 656 CD ARG A 39 -5.384 -4.391 -2.975 1.00 2.04 C ATOM 657 NE ARG A 39 -4.215 -5.007 -3.617 1.00 1.51 N ATOM 658 CZ ARG A 39 -4.044 -6.296 -3.827 1.00 34.31 C ATOM 659 NH1 ARG A 39 -4.873 -7.178 -3.355 1.00 62.43 N ATOM 660 NH2 ARG A 39 -3.028 -6.685 -4.517 1.00 25.31 N ATOM 0 H ARG A 39 -6.243 -4.992 1.075 1.00 55.01 H new ATOM 0 HA ARG A 39 -5.316 -2.306 0.709 1.00 65.02 H new ATOM 0 HB2 ARG A 39 -7.183 -4.093 -0.920 1.00 22.13 H new ATOM 0 HB3 ARG A 39 -6.669 -2.503 -1.448 1.00 22.13 H new ATOM 0 HG2 ARG A 39 -4.292 -3.278 -1.470 1.00 53.13 H new ATOM 0 HG3 ARG A 39 -4.806 -4.868 -0.942 1.00 53.13 H new ATOM 0 HD2 ARG A 39 -6.222 -5.088 -3.010 1.00 2.04 H new ATOM 0 HD3 ARG A 39 -5.680 -3.507 -3.540 1.00 2.04 H new ATOM 0 HE ARG A 39 -3.471 -4.382 -3.927 1.00 1.51 H new ATOM 0 HH11 ARG A 39 -5.679 -6.878 -2.807 1.00 62.43 H new ATOM 0 HH12 ARG A 39 -4.717 -8.170 -3.532 1.00 62.43 H new ATOM 0 HH21 ARG A 39 -2.372 -5.999 -4.890 1.00 25.31 H new ATOM 0 HH22 ARG A 39 -2.879 -7.679 -4.690 1.00 25.31 H new ATOM 674 N GLU A 40 -8.486 -2.782 1.603 1.00 25.40 N ATOM 675 CA GLU A 40 -9.707 -2.074 2.093 1.00 4.14 C ATOM 676 C GLU A 40 -9.324 -1.021 3.158 1.00 65.11 C ATOM 677 O GLU A 40 -9.629 0.167 3.026 1.00 15.21 O ATOM 678 CB GLU A 40 -10.751 -3.061 2.702 1.00 21.51 C ATOM 679 CG GLU A 40 -11.271 -4.161 1.752 1.00 51.40 C ATOM 680 CD GLU A 40 -11.894 -3.618 0.455 1.00 71.04 C ATOM 681 OE1 GLU A 40 -13.027 -3.085 0.509 1.00 52.13 O ATOM 682 OE2 GLU A 40 -11.269 -3.725 -0.624 1.00 54.12 O ATOM 0 H GLU A 40 -8.510 -3.793 1.735 1.00 25.40 H new ATOM 0 HA GLU A 40 -10.161 -1.586 1.231 1.00 4.14 H new ATOM 0 HB2 GLU A 40 -10.304 -3.541 3.573 1.00 21.51 H new ATOM 0 HB3 GLU A 40 -11.603 -2.483 3.059 1.00 21.51 H new ATOM 0 HG2 GLU A 40 -10.447 -4.827 1.497 1.00 51.40 H new ATOM 0 HG3 GLU A 40 -12.014 -4.760 2.278 1.00 51.40 H new ATOM 689 N GLN A 41 -8.602 -1.497 4.184 1.00 12.15 N ATOM 690 CA GLN A 41 -8.164 -0.677 5.337 1.00 20.00 C ATOM 691 C GLN A 41 -7.176 0.430 4.888 1.00 0.32 C ATOM 692 O GLN A 41 -7.318 1.591 5.268 1.00 11.33 O ATOM 693 CB GLN A 41 -7.504 -1.597 6.404 1.00 71.45 C ATOM 694 CG GLN A 41 -8.334 -2.850 6.758 1.00 2.22 C ATOM 695 CD GLN A 41 -7.617 -3.799 7.725 1.00 34.23 C ATOM 696 OE1 GLN A 41 -6.869 -4.682 7.314 1.00 24.41 O ATOM 697 NE2 GLN A 41 -7.849 -3.640 9.014 1.00 4.32 N ATOM 0 H GLN A 41 -8.300 -2.470 4.242 1.00 12.15 H new ATOM 0 HA GLN A 41 -9.035 -0.187 5.772 1.00 20.00 H new ATOM 0 HB2 GLN A 41 -6.526 -1.913 6.040 1.00 71.45 H new ATOM 0 HB3 GLN A 41 -7.335 -1.018 7.312 1.00 71.45 H new ATOM 0 HG2 GLN A 41 -9.280 -2.538 7.201 1.00 2.22 H new ATOM 0 HG3 GLN A 41 -8.574 -3.389 5.842 1.00 2.22 H new ATOM 0 HE21 GLN A 41 -8.474 -2.899 9.332 1.00 4.32 H new ATOM 0 HE22 GLN A 41 -7.403 -4.258 9.692 1.00 4.32 H new ATOM 706 N LEU A 42 -6.200 0.042 4.046 1.00 14.53 N ATOM 707 CA LEU A 42 -5.136 0.950 3.546 1.00 31.15 C ATOM 708 C LEU A 42 -5.683 2.064 2.611 1.00 61.15 C ATOM 709 O LEU A 42 -5.280 3.220 2.727 1.00 15.12 O ATOM 710 CB LEU A 42 -4.051 0.109 2.821 1.00 45.44 C ATOM 711 CG LEU A 42 -2.863 0.884 2.162 1.00 4.11 C ATOM 712 CD1 LEU A 42 -2.125 1.793 3.174 1.00 60.05 C ATOM 713 CD2 LEU A 42 -1.891 -0.106 1.485 1.00 32.44 C ATOM 0 H LEU A 42 -6.122 -0.910 3.689 1.00 14.53 H new ATOM 0 HA LEU A 42 -4.702 1.462 4.405 1.00 31.15 H new ATOM 0 HB2 LEU A 42 -3.635 -0.597 3.540 1.00 45.44 H new ATOM 0 HB3 LEU A 42 -4.542 -0.478 2.045 1.00 45.44 H new ATOM 0 HG LEU A 42 -3.279 1.542 1.399 1.00 4.11 H new ATOM 0 HD11 LEU A 42 -1.308 2.310 2.670 1.00 60.05 H new ATOM 0 HD12 LEU A 42 -2.822 2.525 3.581 1.00 60.05 H new ATOM 0 HD13 LEU A 42 -1.724 1.184 3.984 1.00 60.05 H new ATOM 0 HD21 LEU A 42 -1.068 0.446 1.030 1.00 32.44 H new ATOM 0 HD22 LEU A 42 -1.497 -0.796 2.231 1.00 32.44 H new ATOM 0 HD23 LEU A 42 -2.421 -0.667 0.716 1.00 32.44 H new ATOM 725 N ALA A 43 -6.604 1.703 1.705 1.00 35.30 N ATOM 726 CA ALA A 43 -7.183 2.651 0.716 1.00 11.42 C ATOM 727 C ALA A 43 -8.102 3.696 1.389 1.00 63.21 C ATOM 728 O ALA A 43 -8.177 4.842 0.936 1.00 24.41 O ATOM 729 CB ALA A 43 -7.935 1.892 -0.387 1.00 52.10 C ATOM 0 H ALA A 43 -6.972 0.755 1.630 1.00 35.30 H new ATOM 0 HA ALA A 43 -6.355 3.194 0.261 1.00 11.42 H new ATOM 0 HB1 ALA A 43 -8.351 2.604 -1.100 1.00 52.10 H new ATOM 0 HB2 ALA A 43 -7.246 1.222 -0.902 1.00 52.10 H new ATOM 0 HB3 ALA A 43 -8.742 1.310 0.057 1.00 52.10 H new ATOM 735 N MET A 44 -8.801 3.291 2.470 1.00 62.54 N ATOM 736 CA MET A 44 -9.615 4.221 3.291 1.00 73.41 C ATOM 737 C MET A 44 -8.702 5.132 4.157 1.00 11.01 C ATOM 738 O MET A 44 -8.979 6.326 4.321 1.00 44.45 O ATOM 739 CB MET A 44 -10.606 3.438 4.194 1.00 23.21 C ATOM 740 CG MET A 44 -11.692 2.664 3.425 1.00 12.44 C ATOM 741 SD MET A 44 -12.894 1.863 4.517 1.00 1.34 S ATOM 742 CE MET A 44 -11.870 0.698 5.417 1.00 61.15 C ATOM 0 H MET A 44 -8.820 2.325 2.797 1.00 62.54 H new ATOM 0 HA MET A 44 -10.191 4.851 2.613 1.00 73.41 H new ATOM 0 HB2 MET A 44 -10.042 2.735 4.808 1.00 23.21 H new ATOM 0 HB3 MET A 44 -11.090 4.139 4.875 1.00 23.21 H new ATOM 0 HG2 MET A 44 -12.215 3.349 2.757 1.00 12.44 H new ATOM 0 HG3 MET A 44 -11.218 1.908 2.799 1.00 12.44 H new ATOM 0 HE1 MET A 44 -12.487 0.141 6.122 1.00 61.15 H new ATOM 0 HE2 MET A 44 -11.405 0.005 4.716 1.00 61.15 H new ATOM 0 HE3 MET A 44 -11.096 1.239 5.961 1.00 61.15 H new ATOM 752 N ARG A 45 -7.614 4.537 4.688 1.00 53.34 N ATOM 753 CA ARG A 45 -6.585 5.234 5.503 1.00 14.14 C ATOM 754 C ARG A 45 -5.941 6.408 4.709 1.00 22.05 C ATOM 755 O ARG A 45 -5.953 7.560 5.146 1.00 52.11 O ATOM 756 CB ARG A 45 -5.479 4.198 5.957 1.00 73.10 C ATOM 757 CG ARG A 45 -5.263 4.069 7.483 1.00 45.01 C ATOM 758 CD ARG A 45 -4.782 5.381 8.128 1.00 0.13 C ATOM 759 NE ARG A 45 -4.382 5.210 9.536 1.00 55.43 N ATOM 760 CZ ARG A 45 -4.173 6.191 10.389 1.00 2.03 C ATOM 761 NH1 ARG A 45 -4.349 7.432 10.055 1.00 41.22 N ATOM 762 NH2 ARG A 45 -3.786 5.923 11.587 1.00 51.15 N ATOM 0 H ARG A 45 -7.418 3.544 4.563 1.00 53.34 H new ATOM 0 HA ARG A 45 -7.066 5.657 6.385 1.00 14.14 H new ATOM 0 HB2 ARG A 45 -5.743 3.217 5.562 1.00 73.10 H new ATOM 0 HB3 ARG A 45 -4.532 4.482 5.498 1.00 73.10 H new ATOM 0 HG2 ARG A 45 -6.196 3.759 7.953 1.00 45.01 H new ATOM 0 HG3 ARG A 45 -4.532 3.284 7.677 1.00 45.01 H new ATOM 0 HD2 ARG A 45 -3.938 5.772 7.560 1.00 0.13 H new ATOM 0 HD3 ARG A 45 -5.578 6.123 8.068 1.00 0.13 H new ATOM 0 HE ARG A 45 -4.257 4.257 9.877 1.00 55.43 H new ATOM 0 HH11 ARG A 45 -4.657 7.667 9.111 1.00 41.22 H new ATOM 0 HH12 ARG A 45 -4.180 8.172 10.736 1.00 41.22 H new ATOM 0 HH21 ARG A 45 -3.643 4.954 11.872 1.00 51.15 H new ATOM 0 HH22 ARG A 45 -3.623 6.679 12.251 1.00 51.15 H new ATOM 776 N THR A 46 -5.405 6.075 3.527 1.00 12.01 N ATOM 777 CA THR A 46 -4.617 7.003 2.675 1.00 32.11 C ATOM 778 C THR A 46 -5.486 7.797 1.669 1.00 4.52 C ATOM 779 O THR A 46 -4.960 8.679 0.974 1.00 15.55 O ATOM 780 CB THR A 46 -3.521 6.208 1.885 1.00 63.23 C ATOM 781 OG1 THR A 46 -4.137 5.191 1.070 1.00 44.54 O ATOM 782 CG2 THR A 46 -2.491 5.556 2.824 1.00 15.50 C ATOM 0 H THR A 46 -5.502 5.144 3.122 1.00 12.01 H new ATOM 0 HA THR A 46 -4.159 7.725 3.352 1.00 32.11 H new ATOM 0 HB THR A 46 -2.995 6.924 1.253 1.00 63.23 H new ATOM 0 HG1 THR A 46 -4.449 4.458 1.641 1.00 44.54 H new ATOM 0 HG21 THR A 46 -1.751 5.016 2.233 1.00 15.50 H new ATOM 0 HG22 THR A 46 -1.994 6.328 3.411 1.00 15.50 H new ATOM 0 HG23 THR A 46 -2.998 4.861 3.494 1.00 15.50 H new ATOM 790 N ASP A 47 -6.803 7.464 1.600 1.00 3.35 N ATOM 791 CA ASP A 47 -7.786 8.083 0.658 1.00 10.13 C ATOM 792 C ASP A 47 -7.476 7.761 -0.832 1.00 43.41 C ATOM 793 O ASP A 47 -7.988 8.429 -1.740 1.00 51.41 O ATOM 794 CB ASP A 47 -7.887 9.618 0.903 1.00 74.12 C ATOM 795 CG ASP A 47 -8.469 9.948 2.287 1.00 40.33 C ATOM 796 OD1 ASP A 47 -7.702 9.978 3.279 1.00 12.11 O ATOM 797 OD2 ASP A 47 -9.694 10.172 2.396 1.00 33.21 O ATOM 0 H ASP A 47 -7.220 6.752 2.200 1.00 3.35 H new ATOM 0 HA ASP A 47 -8.758 7.636 0.867 1.00 10.13 H new ATOM 0 HB2 ASP A 47 -6.897 10.065 0.811 1.00 74.12 H new ATOM 0 HB3 ASP A 47 -8.512 10.067 0.131 1.00 74.12 H new ATOM 802 N LEU A 48 -6.682 6.702 -1.068 1.00 73.11 N ATOM 803 CA LEU A 48 -6.227 6.314 -2.424 1.00 32.43 C ATOM 804 C LEU A 48 -7.161 5.284 -3.094 1.00 22.05 C ATOM 805 O LEU A 48 -7.838 4.505 -2.423 1.00 73.14 O ATOM 806 CB LEU A 48 -4.784 5.746 -2.352 1.00 14.11 C ATOM 807 CG LEU A 48 -3.684 6.762 -1.924 1.00 44.31 C ATOM 808 CD1 LEU A 48 -2.307 6.073 -1.794 1.00 11.15 C ATOM 809 CD2 LEU A 48 -3.632 7.966 -2.896 1.00 33.30 C ATOM 0 H LEU A 48 -6.336 6.089 -0.330 1.00 73.11 H new ATOM 0 HA LEU A 48 -6.247 7.214 -3.039 1.00 32.43 H new ATOM 0 HB2 LEU A 48 -4.775 4.911 -1.651 1.00 14.11 H new ATOM 0 HB3 LEU A 48 -4.521 5.344 -3.330 1.00 14.11 H new ATOM 0 HG LEU A 48 -3.947 7.148 -0.939 1.00 44.31 H new ATOM 0 HD11 LEU A 48 -1.560 6.807 -1.494 1.00 11.15 H new ATOM 0 HD12 LEU A 48 -2.364 5.285 -1.043 1.00 11.15 H new ATOM 0 HD13 LEU A 48 -2.025 5.639 -2.754 1.00 11.15 H new ATOM 0 HD21 LEU A 48 -2.856 8.660 -2.574 1.00 33.30 H new ATOM 0 HD22 LEU A 48 -3.408 7.612 -3.902 1.00 33.30 H new ATOM 0 HD23 LEU A 48 -4.596 8.475 -2.897 1.00 33.30 H new ATOM 821 N THR A 49 -7.174 5.308 -4.437 1.00 61.23 N ATOM 822 CA THR A 49 -7.849 4.296 -5.283 1.00 1.44 C ATOM 823 C THR A 49 -7.154 2.910 -5.142 1.00 13.21 C ATOM 824 O THR A 49 -5.955 2.850 -4.852 1.00 15.02 O ATOM 825 CB THR A 49 -7.817 4.766 -6.786 1.00 34.43 C ATOM 826 OG1 THR A 49 -8.415 6.071 -6.892 1.00 3.42 O ATOM 827 CG2 THR A 49 -8.542 3.795 -7.742 1.00 12.33 C ATOM 0 H THR A 49 -6.711 6.039 -4.978 1.00 61.23 H new ATOM 0 HA THR A 49 -8.883 4.194 -4.955 1.00 1.44 H new ATOM 0 HB THR A 49 -6.770 4.790 -7.088 1.00 34.43 H new ATOM 0 HG1 THR A 49 -8.394 6.365 -7.826 1.00 3.42 H new ATOM 0 HG21 THR A 49 -8.483 4.177 -8.761 1.00 12.33 H new ATOM 0 HG22 THR A 49 -8.068 2.815 -7.694 1.00 12.33 H new ATOM 0 HG23 THR A 49 -9.588 3.707 -7.447 1.00 12.33 H new ATOM 835 N GLU A 50 -7.913 1.806 -5.330 1.00 23.12 N ATOM 836 CA GLU A 50 -7.349 0.426 -5.322 1.00 63.34 C ATOM 837 C GLU A 50 -6.173 0.298 -6.322 1.00 23.11 C ATOM 838 O GLU A 50 -5.103 -0.197 -5.974 1.00 72.54 O ATOM 839 CB GLU A 50 -8.442 -0.614 -5.687 1.00 55.32 C ATOM 840 CG GLU A 50 -9.692 -0.594 -4.797 1.00 13.33 C ATOM 841 CD GLU A 50 -10.773 -1.590 -5.264 1.00 22.24 C ATOM 842 OE1 GLU A 50 -11.397 -1.343 -6.322 1.00 32.44 O ATOM 843 OE2 GLU A 50 -10.980 -2.634 -4.601 1.00 54.51 O ATOM 0 H GLU A 50 -8.920 1.839 -5.490 1.00 23.12 H new ATOM 0 HA GLU A 50 -6.982 0.229 -4.315 1.00 63.34 H new ATOM 0 HB2 GLU A 50 -8.749 -0.446 -6.719 1.00 55.32 H new ATOM 0 HB3 GLU A 50 -8.001 -1.610 -5.643 1.00 55.32 H new ATOM 0 HG2 GLU A 50 -9.406 -0.829 -3.772 1.00 13.33 H new ATOM 0 HG3 GLU A 50 -10.111 0.412 -4.789 1.00 13.33 H new ATOM 850 N ALA A 51 -6.410 0.782 -7.559 1.00 33.32 N ATOM 851 CA ALA A 51 -5.401 0.810 -8.650 1.00 72.31 C ATOM 852 C ALA A 51 -4.131 1.616 -8.259 1.00 65.24 C ATOM 853 O ALA A 51 -3.014 1.254 -8.636 1.00 5.21 O ATOM 854 CB ALA A 51 -6.044 1.399 -9.918 1.00 3.35 C ATOM 0 H ALA A 51 -7.313 1.168 -7.836 1.00 33.32 H new ATOM 0 HA ALA A 51 -5.077 -0.214 -8.837 1.00 72.31 H new ATOM 0 HB1 ALA A 51 -5.308 1.422 -10.722 1.00 3.35 H new ATOM 0 HB2 ALA A 51 -6.890 0.781 -10.218 1.00 3.35 H new ATOM 0 HB3 ALA A 51 -6.390 2.412 -9.714 1.00 3.35 H new ATOM 860 N ARG A 52 -4.329 2.703 -7.491 1.00 12.22 N ATOM 861 CA ARG A 52 -3.227 3.565 -6.988 1.00 31.32 C ATOM 862 C ARG A 52 -2.307 2.777 -6.014 1.00 30.31 C ATOM 863 O ARG A 52 -1.075 2.845 -6.100 1.00 34.00 O ATOM 864 CB ARG A 52 -3.813 4.808 -6.263 1.00 41.33 C ATOM 865 CG ARG A 52 -2.800 5.939 -5.998 1.00 54.43 C ATOM 866 CD ARG A 52 -2.489 6.758 -7.264 1.00 10.32 C ATOM 867 NE ARG A 52 -3.660 7.538 -7.698 1.00 51.33 N ATOM 868 CZ ARG A 52 -4.002 7.804 -8.938 1.00 4.14 C ATOM 869 NH1 ARG A 52 -3.308 7.377 -9.947 1.00 5.25 N ATOM 870 NH2 ARG A 52 -5.057 8.506 -9.158 1.00 74.21 N ATOM 0 H ARG A 52 -5.255 3.014 -7.198 1.00 12.22 H new ATOM 0 HA ARG A 52 -2.632 3.889 -7.842 1.00 31.32 H new ATOM 0 HB2 ARG A 52 -4.633 5.206 -6.860 1.00 41.33 H new ATOM 0 HB3 ARG A 52 -4.238 4.489 -5.311 1.00 41.33 H new ATOM 0 HG2 ARG A 52 -3.193 6.602 -5.227 1.00 54.43 H new ATOM 0 HG3 ARG A 52 -1.876 5.511 -5.609 1.00 54.43 H new ATOM 0 HD2 ARG A 52 -1.654 7.430 -7.069 1.00 10.32 H new ATOM 0 HD3 ARG A 52 -2.178 6.088 -8.066 1.00 10.32 H new ATOM 0 HE ARG A 52 -4.264 7.908 -6.964 1.00 51.33 H new ATOM 0 HH11 ARG A 52 -2.470 6.817 -9.789 1.00 5.25 H new ATOM 0 HH12 ARG A 52 -3.600 7.601 -10.898 1.00 5.25 H new ATOM 0 HH21 ARG A 52 -5.615 8.848 -8.375 1.00 74.21 H new ATOM 0 HH22 ARG A 52 -5.336 8.721 -10.115 1.00 74.21 H new ATOM 884 N VAL A 53 -2.954 2.035 -5.095 1.00 42.42 N ATOM 885 CA VAL A 53 -2.282 1.156 -4.110 1.00 24.35 C ATOM 886 C VAL A 53 -1.486 0.022 -4.819 1.00 70.24 C ATOM 887 O VAL A 53 -0.356 -0.287 -4.427 1.00 23.14 O ATOM 888 CB VAL A 53 -3.343 0.559 -3.102 1.00 53.30 C ATOM 889 CG1 VAL A 53 -2.718 -0.474 -2.131 1.00 74.04 C ATOM 890 CG2 VAL A 53 -4.054 1.695 -2.311 1.00 45.02 C ATOM 0 H VAL A 53 -3.971 2.027 -5.012 1.00 42.42 H new ATOM 0 HA VAL A 53 -1.566 1.755 -3.547 1.00 24.35 H new ATOM 0 HB VAL A 53 -4.085 0.029 -3.699 1.00 53.30 H new ATOM 0 HG11 VAL A 53 -3.488 -0.854 -1.459 1.00 74.04 H new ATOM 0 HG12 VAL A 53 -2.294 -1.300 -2.702 1.00 74.04 H new ATOM 0 HG13 VAL A 53 -1.932 0.005 -1.547 1.00 74.04 H new ATOM 0 HG21 VAL A 53 -4.780 1.261 -1.624 1.00 45.02 H new ATOM 0 HG22 VAL A 53 -3.315 2.263 -1.747 1.00 45.02 H new ATOM 0 HG23 VAL A 53 -4.566 2.358 -3.008 1.00 45.02 H new ATOM 900 N GLN A 54 -2.088 -0.556 -5.887 1.00 51.44 N ATOM 901 CA GLN A 54 -1.447 -1.615 -6.714 1.00 65.44 C ATOM 902 C GLN A 54 -0.076 -1.148 -7.262 1.00 74.22 C ATOM 903 O GLN A 54 0.947 -1.795 -7.015 1.00 31.34 O ATOM 904 CB GLN A 54 -2.365 -2.043 -7.904 1.00 1.53 C ATOM 905 CG GLN A 54 -3.736 -2.656 -7.527 1.00 24.03 C ATOM 906 CD GLN A 54 -3.673 -4.015 -6.811 1.00 25.25 C ATOM 907 OE1 GLN A 54 -2.746 -4.317 -6.069 1.00 64.42 O ATOM 908 NE2 GLN A 54 -4.664 -4.857 -7.031 1.00 74.54 N ATOM 0 H GLN A 54 -3.026 -0.305 -6.200 1.00 51.44 H new ATOM 0 HA GLN A 54 -1.293 -2.475 -6.062 1.00 65.44 H new ATOM 0 HB2 GLN A 54 -2.542 -1.169 -8.531 1.00 1.53 H new ATOM 0 HB3 GLN A 54 -1.822 -2.767 -8.512 1.00 1.53 H new ATOM 0 HG2 GLN A 54 -4.267 -1.951 -6.887 1.00 24.03 H new ATOM 0 HG3 GLN A 54 -4.327 -2.770 -8.436 1.00 24.03 H new ATOM 0 HE21 GLN A 54 -5.430 -4.593 -7.651 1.00 74.54 H new ATOM 0 HE22 GLN A 54 -4.665 -5.772 -6.581 1.00 74.54 H new ATOM 917 N VAL A 55 -0.092 0.012 -7.958 1.00 60.14 N ATOM 918 CA VAL A 55 1.104 0.632 -8.588 1.00 72.21 C ATOM 919 C VAL A 55 2.295 0.752 -7.603 1.00 33.12 C ATOM 920 O VAL A 55 3.427 0.372 -7.940 1.00 24.05 O ATOM 921 CB VAL A 55 0.748 2.056 -9.177 1.00 51.42 C ATOM 922 CG1 VAL A 55 2.007 2.808 -9.696 1.00 3.14 C ATOM 923 CG2 VAL A 55 -0.318 1.936 -10.299 1.00 34.55 C ATOM 0 H VAL A 55 -0.945 0.553 -8.102 1.00 60.14 H new ATOM 0 HA VAL A 55 1.412 -0.029 -9.398 1.00 72.21 H new ATOM 0 HB VAL A 55 0.333 2.646 -8.360 1.00 51.42 H new ATOM 0 HG11 VAL A 55 1.713 3.780 -10.091 1.00 3.14 H new ATOM 0 HG12 VAL A 55 2.711 2.947 -8.876 1.00 3.14 H new ATOM 0 HG13 VAL A 55 2.480 2.224 -10.485 1.00 3.14 H new ATOM 0 HG21 VAL A 55 -0.548 2.927 -10.690 1.00 34.55 H new ATOM 0 HG22 VAL A 55 0.069 1.310 -11.103 1.00 34.55 H new ATOM 0 HG23 VAL A 55 -1.224 1.487 -9.893 1.00 34.55 H new ATOM 933 N TRP A 56 2.010 1.249 -6.383 1.00 11.05 N ATOM 934 CA TRP A 56 3.041 1.472 -5.348 1.00 71.33 C ATOM 935 C TRP A 56 3.781 0.154 -4.995 1.00 24.44 C ATOM 936 O TRP A 56 5.011 0.092 -5.062 1.00 12.50 O ATOM 937 CB TRP A 56 2.422 2.099 -4.069 1.00 62.33 C ATOM 938 CG TRP A 56 3.463 2.563 -3.064 1.00 3.02 C ATOM 939 CD1 TRP A 56 4.104 3.772 -3.047 1.00 72.03 C ATOM 940 CD2 TRP A 56 4.005 1.816 -1.959 1.00 21.22 C ATOM 941 NE1 TRP A 56 4.983 3.826 -2.001 1.00 12.22 N ATOM 942 CE2 TRP A 56 4.943 2.641 -1.318 1.00 23.33 C ATOM 943 CE3 TRP A 56 3.781 0.537 -1.450 1.00 2.41 C ATOM 944 CZ2 TRP A 56 5.660 2.223 -0.199 1.00 40.44 C ATOM 945 CZ3 TRP A 56 4.488 0.125 -0.339 1.00 40.32 C ATOM 946 CH2 TRP A 56 5.417 0.966 0.274 1.00 4.40 C ATOM 0 H TRP A 56 1.068 1.505 -6.088 1.00 11.05 H new ATOM 0 HA TRP A 56 3.768 2.172 -5.760 1.00 71.33 H new ATOM 0 HB2 TRP A 56 1.798 2.946 -4.353 1.00 62.33 H new ATOM 0 HB3 TRP A 56 1.769 1.368 -3.594 1.00 62.33 H new ATOM 0 HD1 TRP A 56 3.939 4.569 -3.757 1.00 72.03 H new ATOM 0 HE1 TRP A 56 5.575 4.623 -1.767 1.00 12.22 H new ATOM 0 HE3 TRP A 56 3.065 -0.121 -1.919 1.00 2.41 H new ATOM 0 HZ2 TRP A 56 6.382 2.870 0.277 1.00 40.44 H new ATOM 0 HZ3 TRP A 56 4.320 -0.864 0.062 1.00 40.32 H new ATOM 0 HH2 TRP A 56 5.956 0.615 1.142 1.00 4.40 H new ATOM 957 N PHE A 57 3.007 -0.896 -4.649 1.00 73.04 N ATOM 958 CA PHE A 57 3.563 -2.210 -4.247 1.00 1.14 C ATOM 959 C PHE A 57 4.299 -2.925 -5.405 1.00 31.24 C ATOM 960 O PHE A 57 5.272 -3.634 -5.155 1.00 22.12 O ATOM 961 CB PHE A 57 2.453 -3.120 -3.644 1.00 14.03 C ATOM 962 CG PHE A 57 2.037 -2.716 -2.231 1.00 65.51 C ATOM 963 CD1 PHE A 57 2.720 -3.212 -1.122 1.00 33.51 C ATOM 964 CD2 PHE A 57 0.990 -1.825 -2.010 1.00 31.13 C ATOM 965 CE1 PHE A 57 2.365 -2.833 0.158 1.00 23.51 C ATOM 966 CE2 PHE A 57 0.635 -1.448 -0.731 1.00 0.54 C ATOM 967 CZ PHE A 57 1.326 -1.948 0.355 1.00 45.13 C ATOM 0 H PHE A 57 1.988 -0.860 -4.639 1.00 73.04 H new ATOM 0 HA PHE A 57 4.309 -2.015 -3.477 1.00 1.14 H new ATOM 0 HB2 PHE A 57 1.578 -3.092 -4.294 1.00 14.03 H new ATOM 0 HB3 PHE A 57 2.807 -4.151 -3.630 1.00 14.03 H new ATOM 0 HD1 PHE A 57 3.538 -3.902 -1.265 1.00 33.51 H new ATOM 0 HD2 PHE A 57 0.447 -1.423 -2.853 1.00 31.13 H new ATOM 0 HE1 PHE A 57 2.902 -3.231 1.006 1.00 23.51 H new ATOM 0 HE2 PHE A 57 -0.184 -0.761 -0.579 1.00 0.54 H new ATOM 0 HZ PHE A 57 1.053 -1.647 1.356 1.00 45.13 H new ATOM 977 N GLN A 58 3.859 -2.715 -6.665 1.00 12.22 N ATOM 978 CA GLN A 58 4.542 -3.303 -7.849 1.00 51.14 C ATOM 979 C GLN A 58 5.988 -2.756 -8.001 1.00 4.23 C ATOM 980 O GLN A 58 6.933 -3.526 -8.199 1.00 21.20 O ATOM 981 CB GLN A 58 3.723 -3.051 -9.147 1.00 11.25 C ATOM 982 CG GLN A 58 2.312 -3.684 -9.169 1.00 73.41 C ATOM 983 CD GLN A 58 2.301 -5.181 -8.837 1.00 1.53 C ATOM 984 OE1 GLN A 58 2.445 -6.024 -9.713 1.00 61.15 O ATOM 985 NE2 GLN A 58 2.114 -5.521 -7.570 1.00 51.44 N ATOM 0 H GLN A 58 3.042 -2.149 -6.892 1.00 12.22 H new ATOM 0 HA GLN A 58 4.607 -4.379 -7.687 1.00 51.14 H new ATOM 0 HB2 GLN A 58 3.623 -1.975 -9.291 1.00 11.25 H new ATOM 0 HB3 GLN A 58 4.289 -3.435 -9.995 1.00 11.25 H new ATOM 0 HG2 GLN A 58 1.677 -3.158 -8.456 1.00 73.41 H new ATOM 0 HG3 GLN A 58 1.873 -3.537 -10.156 1.00 73.41 H new ATOM 0 HE21 GLN A 58 1.997 -4.798 -6.860 1.00 51.44 H new ATOM 0 HE22 GLN A 58 2.087 -6.506 -7.305 1.00 51.44 H new ATOM 994 N ASN A 59 6.143 -1.423 -7.872 1.00 50.21 N ATOM 995 CA ASN A 59 7.473 -0.752 -7.918 1.00 53.42 C ATOM 996 C ASN A 59 8.300 -1.006 -6.626 1.00 61.44 C ATOM 997 O ASN A 59 9.534 -1.065 -6.676 1.00 31.23 O ATOM 998 CB ASN A 59 7.305 0.772 -8.159 1.00 41.41 C ATOM 999 CG ASN A 59 6.832 1.102 -9.579 1.00 42.23 C ATOM 1000 OD1 ASN A 59 7.639 1.260 -10.485 1.00 10.20 O ATOM 1001 ND2 ASN A 59 5.537 1.218 -9.787 1.00 45.23 N ATOM 0 H ASN A 59 5.363 -0.780 -7.734 1.00 50.21 H new ATOM 0 HA ASN A 59 8.026 -1.186 -8.751 1.00 53.42 H new ATOM 0 HB2 ASN A 59 6.589 1.172 -7.441 1.00 41.41 H new ATOM 0 HB3 ASN A 59 8.256 1.271 -7.973 1.00 41.41 H new ATOM 0 HD21 ASN A 59 5.188 1.444 -10.719 1.00 45.23 H new ATOM 0 HD22 ASN A 59 4.883 1.082 -9.017 1.00 45.23 H new ATOM 1008 N ARG A 60 7.604 -1.166 -5.485 1.00 61.50 N ATOM 1009 CA ARG A 60 8.245 -1.354 -4.158 1.00 41.32 C ATOM 1010 C ARG A 60 8.962 -2.728 -4.055 1.00 61.25 C ATOM 1011 O ARG A 60 10.088 -2.803 -3.568 1.00 71.34 O ATOM 1012 CB ARG A 60 7.186 -1.203 -3.030 1.00 53.04 C ATOM 1013 CG ARG A 60 7.732 -1.317 -1.588 1.00 12.31 C ATOM 1014 CD ARG A 60 8.829 -0.287 -1.266 1.00 75.54 C ATOM 1015 NE ARG A 60 9.283 -0.402 0.132 1.00 30.24 N ATOM 1016 CZ ARG A 60 10.408 -0.951 0.543 1.00 1.42 C ATOM 1017 NH1 ARG A 60 11.220 -1.556 -0.282 1.00 21.22 N ATOM 1018 NH2 ARG A 60 10.697 -0.909 1.805 1.00 52.41 N ATOM 0 H ARG A 60 6.585 -1.170 -5.450 1.00 61.50 H new ATOM 0 HA ARG A 60 9.005 -0.582 -4.040 1.00 41.32 H new ATOM 0 HB2 ARG A 60 6.698 -0.234 -3.140 1.00 53.04 H new ATOM 0 HB3 ARG A 60 6.419 -1.964 -3.171 1.00 53.04 H new ATOM 0 HG2 ARG A 60 6.909 -1.192 -0.885 1.00 12.31 H new ATOM 0 HG3 ARG A 60 8.130 -2.320 -1.437 1.00 12.31 H new ATOM 0 HD2 ARG A 60 9.675 -0.433 -1.938 1.00 75.54 H new ATOM 0 HD3 ARG A 60 8.449 0.719 -1.445 1.00 75.54 H new ATOM 0 HE ARG A 60 8.667 -0.020 0.850 1.00 30.24 H new ATOM 0 HH11 ARG A 60 10.990 -1.613 -1.274 1.00 21.22 H new ATOM 0 HH12 ARG A 60 12.084 -1.972 0.066 1.00 21.22 H new ATOM 0 HH21 ARG A 60 10.059 -0.457 2.460 1.00 52.41 H new ATOM 0 HH22 ARG A 60 11.563 -1.328 2.144 1.00 52.41 H new ATOM 1032 N ARG A 61 8.280 -3.797 -4.515 1.00 42.30 N ATOM 1033 CA ARG A 61 8.850 -5.178 -4.564 1.00 2.24 C ATOM 1034 C ARG A 61 9.961 -5.283 -5.628 1.00 73.03 C ATOM 1035 O ARG A 61 10.963 -5.983 -5.432 1.00 62.12 O ATOM 1036 CB ARG A 61 7.737 -6.203 -4.889 1.00 2.31 C ATOM 1037 CG ARG A 61 6.551 -6.196 -3.907 1.00 74.32 C ATOM 1038 CD ARG A 61 5.365 -7.023 -4.429 1.00 51.50 C ATOM 1039 NE ARG A 61 4.142 -6.780 -3.653 1.00 1.33 N ATOM 1040 CZ ARG A 61 2.923 -6.984 -4.077 1.00 52.21 C ATOM 1041 NH1 ARG A 61 2.682 -7.517 -5.233 1.00 12.10 N ATOM 1042 NH2 ARG A 61 1.947 -6.663 -3.318 1.00 44.11 N ATOM 0 H ARG A 61 7.323 -3.738 -4.863 1.00 42.30 H new ATOM 0 HA ARG A 61 9.279 -5.396 -3.586 1.00 2.24 H new ATOM 0 HB2 ARG A 61 7.361 -6.005 -5.893 1.00 2.31 H new ATOM 0 HB3 ARG A 61 8.174 -7.201 -4.903 1.00 2.31 H new ATOM 0 HG2 ARG A 61 6.875 -6.594 -2.945 1.00 74.32 H new ATOM 0 HG3 ARG A 61 6.229 -5.169 -3.735 1.00 74.32 H new ATOM 0 HD2 ARG A 61 5.185 -6.778 -5.476 1.00 51.50 H new ATOM 0 HD3 ARG A 61 5.616 -8.083 -4.388 1.00 51.50 H new ATOM 0 HE ARG A 61 4.253 -6.422 -2.704 1.00 1.33 H new ATOM 0 HH11 ARG A 61 3.455 -7.790 -5.840 1.00 12.10 H new ATOM 0 HH12 ARG A 61 1.719 -7.664 -5.536 1.00 12.10 H new ATOM 0 HH21 ARG A 61 2.127 -6.256 -2.400 1.00 44.11 H new ATOM 0 HH22 ARG A 61 0.988 -6.814 -3.630 1.00 44.11 H new ATOM 1056 N ALA A 62 9.748 -4.579 -6.760 1.00 3.13 N ATOM 1057 CA ALA A 62 10.721 -4.509 -7.874 1.00 54.05 C ATOM 1058 C ALA A 62 12.065 -3.893 -7.416 1.00 1.32 C ATOM 1059 O ALA A 62 13.134 -4.353 -7.819 1.00 32.21 O ATOM 1060 CB ALA A 62 10.130 -3.706 -9.047 1.00 51.10 C ATOM 0 H ALA A 62 8.897 -4.043 -6.929 1.00 3.13 H new ATOM 0 HA ALA A 62 10.922 -5.527 -8.208 1.00 54.05 H new ATOM 0 HB1 ALA A 62 10.855 -3.662 -9.860 1.00 51.10 H new ATOM 0 HB2 ALA A 62 9.220 -4.192 -9.399 1.00 51.10 H new ATOM 0 HB3 ALA A 62 9.896 -2.695 -8.714 1.00 51.10 H new ATOM 1066 N LYS A 63 11.988 -2.846 -6.562 1.00 31.01 N ATOM 1067 CA LYS A 63 13.185 -2.211 -5.959 1.00 62.32 C ATOM 1068 C LYS A 63 13.723 -3.037 -4.759 1.00 20.44 C ATOM 1069 O LYS A 63 14.933 -3.070 -4.520 1.00 24.22 O ATOM 1070 CB LYS A 63 12.880 -0.760 -5.486 1.00 65.20 C ATOM 1071 CG LYS A 63 14.148 0.039 -5.079 1.00 74.10 C ATOM 1072 CD LYS A 63 13.849 1.354 -4.324 1.00 40.21 C ATOM 1073 CE LYS A 63 13.175 1.117 -2.955 1.00 74.14 C ATOM 1074 NZ LYS A 63 13.128 2.353 -2.140 1.00 31.23 N ATOM 0 H LYS A 63 11.107 -2.421 -6.274 1.00 31.01 H new ATOM 0 HA LYS A 63 13.948 -2.179 -6.737 1.00 62.32 H new ATOM 0 HB2 LYS A 63 12.365 -0.227 -6.285 1.00 65.20 H new ATOM 0 HB3 LYS A 63 12.197 -0.799 -4.637 1.00 65.20 H new ATOM 0 HG2 LYS A 63 14.777 -0.593 -4.452 1.00 74.10 H new ATOM 0 HG3 LYS A 63 14.722 0.270 -5.976 1.00 74.10 H new ATOM 0 HD2 LYS A 63 14.779 1.902 -4.176 1.00 40.21 H new ATOM 0 HD3 LYS A 63 13.203 1.982 -4.938 1.00 40.21 H new ATOM 0 HE2 LYS A 63 12.162 0.745 -3.109 1.00 74.14 H new ATOM 0 HE3 LYS A 63 13.719 0.345 -2.412 1.00 74.14 H new ATOM 0 HZ1 LYS A 63 12.668 2.151 -1.229 1.00 31.23 H new ATOM 0 HZ2 LYS A 63 14.096 2.694 -1.971 1.00 31.23 H new ATOM 0 HZ3 LYS A 63 12.587 3.083 -2.647 1.00 31.23 H new ATOM 1088 N TRP A 64 12.811 -3.708 -4.014 1.00 62.01 N ATOM 1089 CA TRP A 64 13.175 -4.535 -2.827 1.00 12.12 C ATOM 1090 C TRP A 64 14.134 -5.686 -3.236 1.00 31.41 C ATOM 1091 O TRP A 64 15.062 -6.031 -2.503 1.00 14.30 O ATOM 1092 CB TRP A 64 11.896 -5.105 -2.141 1.00 33.25 C ATOM 1093 CG TRP A 64 12.148 -5.743 -0.785 1.00 52.34 C ATOM 1094 CD1 TRP A 64 12.183 -5.106 0.423 1.00 14.42 C ATOM 1095 CD2 TRP A 64 12.417 -7.131 -0.506 1.00 62.24 C ATOM 1096 NE1 TRP A 64 12.457 -6.002 1.423 1.00 52.44 N ATOM 1097 CE2 TRP A 64 12.608 -7.248 0.880 1.00 30.21 C ATOM 1098 CE3 TRP A 64 12.514 -8.280 -1.296 1.00 5.23 C ATOM 1099 CZ2 TRP A 64 12.890 -8.467 1.496 1.00 5.02 C ATOM 1100 CZ3 TRP A 64 12.797 -9.488 -0.690 1.00 60.25 C ATOM 1101 CH2 TRP A 64 12.984 -9.574 0.696 1.00 63.33 C ATOM 0 H TRP A 64 11.811 -3.695 -4.213 1.00 62.01 H new ATOM 0 HA TRP A 64 13.692 -3.896 -2.111 1.00 12.12 H new ATOM 0 HB2 TRP A 64 11.172 -4.299 -2.022 1.00 33.25 H new ATOM 0 HB3 TRP A 64 11.443 -5.846 -2.800 1.00 33.25 H new ATOM 0 HD1 TRP A 64 12.018 -4.049 0.569 1.00 14.42 H new ATOM 0 HE1 TRP A 64 12.536 -5.776 2.414 1.00 52.44 H new ATOM 0 HE3 TRP A 64 12.370 -8.224 -2.365 1.00 5.23 H new ATOM 0 HZ2 TRP A 64 13.029 -8.535 2.565 1.00 5.02 H new ATOM 0 HZ3 TRP A 64 12.875 -10.380 -1.294 1.00 60.25 H new ATOM 0 HH2 TRP A 64 13.207 -10.532 1.142 1.00 63.33 H new ATOM 1112 N ARG A 65 13.877 -6.276 -4.418 1.00 4.01 N ATOM 1113 CA ARG A 65 14.759 -7.300 -5.031 1.00 5.24 C ATOM 1114 C ARG A 65 15.785 -6.659 -6.011 1.00 73.42 C ATOM 1115 O ARG A 65 16.805 -7.278 -6.329 1.00 71.43 O ATOM 1116 CB ARG A 65 13.890 -8.372 -5.754 1.00 64.35 C ATOM 1117 CG ARG A 65 12.865 -9.071 -4.824 1.00 42.54 C ATOM 1118 CD ARG A 65 12.078 -10.198 -5.515 1.00 42.51 C ATOM 1119 NE ARG A 65 11.067 -10.805 -4.617 1.00 54.31 N ATOM 1120 CZ ARG A 65 10.832 -12.100 -4.481 1.00 62.10 C ATOM 1121 NH1 ARG A 65 11.555 -12.992 -5.087 1.00 53.44 N ATOM 1122 NH2 ARG A 65 9.877 -12.495 -3.708 1.00 51.24 N ATOM 0 H ARG A 65 13.053 -6.060 -4.979 1.00 4.01 H new ATOM 0 HA ARG A 65 15.333 -7.781 -4.239 1.00 5.24 H new ATOM 0 HB2 ARG A 65 13.356 -7.899 -6.578 1.00 64.35 H new ATOM 0 HB3 ARG A 65 14.546 -9.126 -6.189 1.00 64.35 H new ATOM 0 HG2 ARG A 65 13.390 -9.481 -3.961 1.00 42.54 H new ATOM 0 HG3 ARG A 65 12.163 -8.327 -4.446 1.00 42.54 H new ATOM 0 HD2 ARG A 65 11.583 -9.803 -6.402 1.00 42.51 H new ATOM 0 HD3 ARG A 65 12.771 -10.969 -5.853 1.00 42.51 H new ATOM 0 HE ARG A 65 10.503 -10.168 -4.054 1.00 54.31 H new ATOM 0 HH11 ARG A 65 12.327 -12.701 -5.686 1.00 53.44 H new ATOM 0 HH12 ARG A 65 11.351 -13.984 -4.964 1.00 53.44 H new ATOM 0 HH21 ARG A 65 9.310 -11.811 -3.207 1.00 51.24 H new ATOM 0 HH22 ARG A 65 9.689 -13.491 -3.598 1.00 51.24 H new ATOM 1136 N LYS A 66 15.489 -5.406 -6.450 1.00 64.44 N ATOM 1137 CA LYS A 66 16.293 -4.585 -7.422 1.00 52.43 C ATOM 1138 C LYS A 66 16.873 -5.411 -8.606 1.00 61.21 C ATOM 1139 O LYS A 66 18.081 -5.434 -8.871 1.00 0.32 O ATOM 1140 CB LYS A 66 17.360 -3.697 -6.695 1.00 32.30 C ATOM 1141 CG LYS A 66 18.481 -4.447 -5.933 1.00 11.54 C ATOM 1142 CD LYS A 66 19.428 -3.486 -5.177 1.00 42.24 C ATOM 1143 CE LYS A 66 20.679 -4.197 -4.626 1.00 54.24 C ATOM 1144 NZ LYS A 66 21.553 -4.683 -5.723 1.00 61.45 N ATOM 0 H LYS A 66 14.655 -4.914 -6.130 1.00 64.44 H new ATOM 0 HA LYS A 66 15.591 -3.897 -7.893 1.00 52.43 H new ATOM 0 HB2 LYS A 66 17.827 -3.049 -7.437 1.00 32.30 H new ATOM 0 HB3 LYS A 66 16.841 -3.050 -5.988 1.00 32.30 H new ATOM 0 HG2 LYS A 66 18.032 -5.142 -5.224 1.00 11.54 H new ATOM 0 HG3 LYS A 66 19.060 -5.042 -6.639 1.00 11.54 H new ATOM 0 HD2 LYS A 66 19.736 -2.684 -5.848 1.00 42.24 H new ATOM 0 HD3 LYS A 66 18.886 -3.022 -4.353 1.00 42.24 H new ATOM 0 HE2 LYS A 66 21.238 -3.511 -3.990 1.00 54.24 H new ATOM 0 HE3 LYS A 66 20.376 -5.037 -4.001 1.00 54.24 H new ATOM 0 HZ1 LYS A 66 22.490 -4.924 -5.340 1.00 61.45 H new ATOM 0 HZ2 LYS A 66 21.129 -5.528 -6.156 1.00 61.45 H new ATOM 0 HZ3 LYS A 66 21.654 -3.939 -6.442 1.00 61.45 H new ATOM 1158 N ARG A 67 15.957 -6.084 -9.310 1.00 43.31 N ATOM 1159 CA ARG A 67 16.275 -7.020 -10.416 1.00 33.14 C ATOM 1160 C ARG A 67 16.062 -6.359 -11.803 1.00 11.45 C ATOM 1161 O ARG A 67 15.023 -5.729 -12.043 1.00 64.11 O ATOM 1162 CB ARG A 67 15.379 -8.284 -10.280 1.00 65.33 C ATOM 1163 CG ARG A 67 15.600 -9.373 -11.359 1.00 12.04 C ATOM 1164 CD ARG A 67 14.647 -10.566 -11.184 1.00 33.32 C ATOM 1165 NE ARG A 67 14.901 -11.649 -12.160 1.00 60.30 N ATOM 1166 CZ ARG A 67 14.309 -12.827 -12.161 1.00 24.10 C ATOM 1167 NH1 ARG A 67 13.404 -13.124 -11.280 1.00 1.02 N ATOM 1168 NH2 ARG A 67 14.628 -13.704 -13.058 1.00 15.24 N ATOM 0 H ARG A 67 14.956 -5.999 -9.132 1.00 43.31 H new ATOM 0 HA ARG A 67 17.327 -7.297 -10.347 1.00 33.14 H new ATOM 0 HB2 ARG A 67 15.552 -8.728 -9.299 1.00 65.33 H new ATOM 0 HB3 ARG A 67 14.335 -7.973 -10.310 1.00 65.33 H new ATOM 0 HG2 ARG A 67 15.456 -8.937 -12.348 1.00 12.04 H new ATOM 0 HG3 ARG A 67 16.631 -9.724 -11.313 1.00 12.04 H new ATOM 0 HD2 ARG A 67 14.749 -10.962 -10.174 1.00 33.32 H new ATOM 0 HD3 ARG A 67 13.618 -10.222 -11.289 1.00 33.32 H new ATOM 0 HE ARG A 67 15.590 -11.470 -12.891 1.00 60.30 H new ATOM 0 HH11 ARG A 67 13.139 -12.441 -10.570 1.00 1.02 H new ATOM 0 HH12 ARG A 67 12.957 -14.041 -11.297 1.00 1.02 H new ATOM 0 HH21 ARG A 67 15.334 -13.482 -13.760 1.00 15.24 H new ATOM 0 HH22 ARG A 67 14.173 -14.617 -13.063 1.00 15.24 H new ATOM 1182 N GLU A 68 17.054 -6.504 -12.708 1.00 5.24 N ATOM 1183 CA GLU A 68 16.908 -6.119 -14.135 1.00 31.44 C ATOM 1184 C GLU A 68 15.864 -7.028 -14.828 1.00 21.34 C ATOM 1185 O GLU A 68 15.917 -8.260 -14.706 1.00 21.34 O ATOM 1186 CB GLU A 68 18.278 -6.208 -14.865 1.00 41.44 C ATOM 1187 CG GLU A 68 18.240 -6.008 -16.403 1.00 43.12 C ATOM 1188 CD GLU A 68 17.666 -4.648 -16.854 1.00 63.35 C ATOM 1189 OE1 GLU A 68 18.361 -3.622 -16.694 1.00 72.01 O ATOM 1190 OE2 GLU A 68 16.520 -4.597 -17.361 1.00 21.22 O ATOM 0 H GLU A 68 17.971 -6.887 -12.477 1.00 5.24 H new ATOM 0 HA GLU A 68 16.560 -5.087 -14.185 1.00 31.44 H new ATOM 0 HB2 GLU A 68 18.945 -5.460 -14.437 1.00 41.44 H new ATOM 0 HB3 GLU A 68 18.717 -7.184 -14.656 1.00 41.44 H new ATOM 0 HG2 GLU A 68 19.252 -6.110 -16.796 1.00 43.12 H new ATOM 0 HG3 GLU A 68 17.644 -6.806 -16.846 1.00 43.12 H new ATOM 1197 N ARG A 69 14.931 -6.403 -15.561 1.00 52.41 N ATOM 1198 CA ARG A 69 13.792 -7.099 -16.175 1.00 4.21 C ATOM 1199 C ARG A 69 13.275 -6.301 -17.400 1.00 71.20 C ATOM 1200 O ARG A 69 12.419 -5.415 -17.267 1.00 1.04 O ATOM 1201 CB ARG A 69 12.677 -7.308 -15.105 1.00 53.13 C ATOM 1202 CG ARG A 69 11.483 -8.182 -15.552 1.00 42.45 C ATOM 1203 CD ARG A 69 10.419 -8.308 -14.446 1.00 14.22 C ATOM 1204 NE ARG A 69 9.271 -9.135 -14.860 1.00 73.53 N ATOM 1205 CZ ARG A 69 8.001 -8.832 -14.685 1.00 2.24 C ATOM 1206 NH1 ARG A 69 7.634 -7.690 -14.175 1.00 73.05 N ATOM 1207 NH2 ARG A 69 7.095 -9.684 -15.033 1.00 22.01 N ATOM 0 H ARG A 69 14.945 -5.400 -15.745 1.00 52.41 H new ATOM 0 HA ARG A 69 14.105 -8.079 -16.535 1.00 4.21 H new ATOM 0 HB2 ARG A 69 13.126 -7.761 -14.221 1.00 53.13 H new ATOM 0 HB3 ARG A 69 12.298 -6.331 -14.805 1.00 53.13 H new ATOM 0 HG2 ARG A 69 11.030 -7.749 -16.444 1.00 42.45 H new ATOM 0 HG3 ARG A 69 11.842 -9.174 -15.826 1.00 42.45 H new ATOM 0 HD2 ARG A 69 10.874 -8.743 -13.556 1.00 14.22 H new ATOM 0 HD3 ARG A 69 10.066 -7.314 -14.170 1.00 14.22 H new ATOM 0 HE ARG A 69 9.478 -10.020 -15.323 1.00 73.53 H new ATOM 0 HH11 ARG A 69 8.338 -7.005 -13.900 1.00 73.05 H new ATOM 0 HH12 ARG A 69 6.643 -7.482 -14.051 1.00 73.05 H new ATOM 0 HH21 ARG A 69 7.366 -10.580 -15.438 1.00 22.01 H new ATOM 0 HH22 ARG A 69 6.108 -9.461 -14.903 1.00 22.01 H new ATOM 1221 N PHE A 70 13.851 -6.598 -18.582 1.00 5.13 N ATOM 1222 CA PHE A 70 13.475 -5.948 -19.864 1.00 63.20 C ATOM 1223 C PHE A 70 12.008 -6.273 -20.270 1.00 43.04 C ATOM 1224 O PHE A 70 11.542 -7.409 -20.105 1.00 74.52 O ATOM 1225 CB PHE A 70 14.478 -6.347 -20.994 1.00 64.01 C ATOM 1226 CG PHE A 70 14.614 -7.853 -21.259 1.00 54.41 C ATOM 1227 CD1 PHE A 70 15.525 -8.631 -20.536 1.00 60.34 C ATOM 1228 CD2 PHE A 70 13.833 -8.495 -22.230 1.00 11.32 C ATOM 1229 CE1 PHE A 70 15.652 -9.989 -20.775 1.00 33.21 C ATOM 1230 CE2 PHE A 70 13.963 -9.855 -22.466 1.00 0.14 C ATOM 1231 CZ PHE A 70 14.870 -10.601 -21.737 1.00 22.13 C ATOM 0 H PHE A 70 14.590 -7.294 -18.680 1.00 5.13 H new ATOM 0 HA PHE A 70 13.532 -4.869 -19.719 1.00 63.20 H new ATOM 0 HB2 PHE A 70 14.168 -5.860 -21.919 1.00 64.01 H new ATOM 0 HB3 PHE A 70 15.461 -5.951 -20.739 1.00 64.01 H new ATOM 0 HD1 PHE A 70 16.139 -8.165 -19.779 1.00 60.34 H new ATOM 0 HD2 PHE A 70 13.119 -7.922 -22.803 1.00 11.32 H new ATOM 0 HE1 PHE A 70 16.364 -10.571 -20.209 1.00 33.21 H new ATOM 0 HE2 PHE A 70 13.355 -10.332 -23.220 1.00 0.14 H new ATOM 0 HZ PHE A 70 14.968 -11.661 -21.919 1.00 22.13 H new ATOM 1241 N GLY A 71 11.290 -5.256 -20.779 1.00 4.11 N ATOM 1242 CA GLY A 71 9.871 -5.390 -21.156 1.00 22.11 C ATOM 1243 C GLY A 71 9.653 -5.787 -22.625 1.00 40.21 C ATOM 1244 O GLY A 71 10.434 -5.411 -23.501 1.00 34.23 O ATOM 0 H GLY A 71 11.673 -4.325 -20.940 1.00 4.11 H new ATOM 0 HA2 GLY A 71 9.404 -6.137 -20.514 1.00 22.11 H new ATOM 0 HA3 GLY A 71 9.364 -4.444 -20.966 1.00 22.11 H new ATOM 1248 N GLN A 72 8.561 -6.537 -22.878 1.00 73.01 N ATOM 1249 CA GLN A 72 8.161 -7.009 -24.232 1.00 54.44 C ATOM 1250 C GLN A 72 6.921 -6.222 -24.762 1.00 65.34 C ATOM 1251 O GLN A 72 6.122 -6.756 -25.549 1.00 11.41 O ATOM 1252 CB GLN A 72 7.849 -8.537 -24.161 1.00 51.45 C ATOM 1253 CG GLN A 72 6.690 -8.917 -23.204 1.00 40.21 C ATOM 1254 CD GLN A 72 6.312 -10.399 -23.238 1.00 12.04 C ATOM 1255 OE1 GLN A 72 7.145 -11.267 -23.482 1.00 43.24 O ATOM 1256 NE2 GLN A 72 5.047 -10.695 -23.005 1.00 11.42 N ATOM 0 H GLN A 72 7.921 -6.839 -22.144 1.00 73.01 H new ATOM 0 HA GLN A 72 8.981 -6.831 -24.928 1.00 54.44 H new ATOM 0 HB2 GLN A 72 7.606 -8.891 -25.163 1.00 51.45 H new ATOM 0 HB3 GLN A 72 8.750 -9.064 -23.846 1.00 51.45 H new ATOM 0 HG2 GLN A 72 6.971 -8.648 -22.186 1.00 40.21 H new ATOM 0 HG3 GLN A 72 5.812 -8.323 -23.460 1.00 40.21 H new ATOM 0 HE21 GLN A 72 4.378 -9.952 -22.805 1.00 11.42 H new ATOM 0 HE22 GLN A 72 4.739 -11.667 -23.025 1.00 11.42 H new ATOM 1265 N MET A 73 6.803 -4.937 -24.361 1.00 25.45 N ATOM 1266 CA MET A 73 5.601 -4.104 -24.624 1.00 74.51 C ATOM 1267 C MET A 73 5.363 -3.857 -26.144 1.00 20.01 C ATOM 1268 O MET A 73 5.964 -2.964 -26.755 1.00 72.54 O ATOM 1269 CB MET A 73 5.719 -2.767 -23.842 1.00 54.20 C ATOM 1270 CG MET A 73 4.485 -1.849 -23.918 1.00 42.33 C ATOM 1271 SD MET A 73 4.691 -0.316 -22.978 1.00 3.31 S ATOM 1272 CE MET A 73 4.956 -0.929 -21.310 1.00 72.21 C ATOM 0 H MET A 73 7.534 -4.446 -23.847 1.00 25.45 H new ATOM 0 HA MET A 73 4.727 -4.652 -24.272 1.00 74.51 H new ATOM 0 HB2 MET A 73 5.918 -2.994 -22.795 1.00 54.20 H new ATOM 0 HB3 MET A 73 6.583 -2.219 -24.219 1.00 54.20 H new ATOM 0 HG2 MET A 73 4.283 -1.606 -24.961 1.00 42.33 H new ATOM 0 HG3 MET A 73 3.615 -2.386 -23.542 1.00 42.33 H new ATOM 0 HE1 MET A 73 4.832 -0.113 -20.598 1.00 72.21 H new ATOM 0 HE2 MET A 73 4.232 -1.714 -21.092 1.00 72.21 H new ATOM 0 HE3 MET A 73 5.965 -1.332 -21.227 1.00 72.21 H new ATOM 1282 N GLN A 74 4.494 -4.698 -26.731 1.00 2.24 N ATOM 1283 CA GLN A 74 4.092 -4.630 -28.155 1.00 71.04 C ATOM 1284 C GLN A 74 2.783 -3.814 -28.308 1.00 31.51 C ATOM 1285 O GLN A 74 1.795 -4.082 -27.610 1.00 52.42 O ATOM 1286 CB GLN A 74 3.895 -6.073 -28.696 1.00 53.40 C ATOM 1287 CG GLN A 74 3.417 -6.160 -30.163 1.00 10.01 C ATOM 1288 CD GLN A 74 3.213 -7.598 -30.645 1.00 44.35 C ATOM 1289 OE1 GLN A 74 4.124 -8.221 -31.184 1.00 63.52 O ATOM 1290 NE2 GLN A 74 2.028 -8.144 -30.437 1.00 15.42 N ATOM 0 H GLN A 74 4.041 -5.459 -26.224 1.00 2.24 H new ATOM 0 HA GLN A 74 4.872 -4.130 -28.729 1.00 71.04 H new ATOM 0 HB2 GLN A 74 4.838 -6.611 -28.604 1.00 53.40 H new ATOM 0 HB3 GLN A 74 3.172 -6.587 -28.063 1.00 53.40 H new ATOM 0 HG2 GLN A 74 2.480 -5.612 -30.266 1.00 10.01 H new ATOM 0 HG3 GLN A 74 4.147 -5.668 -30.806 1.00 10.01 H new ATOM 0 HE21 GLN A 74 1.289 -7.603 -29.987 1.00 15.42 H new ATOM 0 HE22 GLN A 74 1.852 -9.106 -30.726 1.00 15.42 H new ATOM 1299 N GLN A 75 2.774 -2.830 -29.227 1.00 15.01 N ATOM 1300 CA GLN A 75 1.601 -1.943 -29.470 1.00 24.20 C ATOM 1301 C GLN A 75 1.295 -1.786 -30.994 1.00 62.53 C ATOM 1302 O GLN A 75 0.103 -1.871 -31.383 1.00 36.55 O ATOM 1303 CB GLN A 75 1.805 -0.568 -28.739 1.00 45.42 C ATOM 1304 CG GLN A 75 3.158 0.169 -28.995 1.00 24.34 C ATOM 1305 CD GLN A 75 3.196 1.027 -30.262 1.00 23.34 C ATOM 1306 OE1 GLN A 75 2.182 1.577 -30.689 1.00 52.33 O ATOM 1307 NE2 GLN A 75 4.359 1.141 -30.877 1.00 75.33 N ATOM 1308 OXT GLN A 75 2.241 -1.634 -31.801 1.00 36.55 O ATOM 0 H GLN A 75 3.573 -2.621 -29.825 1.00 15.01 H new ATOM 0 HA GLN A 75 0.714 -2.412 -29.043 1.00 24.20 H new ATOM 0 HB2 GLN A 75 0.994 0.098 -29.034 1.00 45.42 H new ATOM 0 HB3 GLN A 75 1.706 -0.735 -27.666 1.00 45.42 H new ATOM 0 HG2 GLN A 75 3.377 0.805 -28.137 1.00 24.34 H new ATOM 0 HG3 GLN A 75 3.954 -0.573 -29.053 1.00 24.34 H new ATOM 0 HE21 GLN A 75 5.183 0.674 -30.500 1.00 75.33 H new ATOM 0 HE22 GLN A 75 4.433 1.697 -31.729 1.00 75.33 H new TER 1317 GLN A 75