USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1089 hydrogens (41 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 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 65 GLN : amide:sc= 0 X(o=-0.041,f=-0.41) USER MOD Set 2.2: A 108 GLN : amide:sc= -0.0408 K(o=-0.041,f=-1) USER MOD Set 3.1: A 57 CYS SG : rot 35:sc= -0.194 USER MOD Set 3.2: A 89 HIS : no HD1:sc= -0.373 K(o=-0.57,f=-4.9!) USER MOD Set 4.1: A 29 TYR OH : rot 172:sc= 1.23 USER MOD Set 4.2: A 97 THR OG1 : rot 5:sc= 0.676 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.766 K(o=-0.77,f=-6.3!) USER MOD Single : A 38 SER OG : rot 67:sc= 0.713 USER MOD Single : A 47 ASN : amide:sc= -0.0289 K(o=-0.029,f=-0.93) USER MOD Single : A 53 THR OG1 : rot -35:sc= 1.61 USER MOD Single : A 54 SER OG : rot -126:sc= 0.153 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 63 GLN : amide:sc= -0.663 K(o=-0.66,f=-1.7!) USER MOD Single : A 67 SER OG : rot 105:sc= 0.0402 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.141 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.991 USER MOD Single : A 80 ASN : amide:sc= -4.73! C(o=-4.7!,f=-4.9!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00166) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0104) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.0111 K(o=-0.011,f=-0.76) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.0013) USER MOD Single : A 126 SER OG : rot -5:sc= 0.898 USER MOD Single : A 127 GLN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 8SP OXT : rot 167:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 3.767 8.551 -8.584 1.00 13.00 N ATOM 2 CA GLY A 2 4.759 8.587 -7.527 1.00 45.03 C ATOM 3 C GLY A 2 4.499 7.552 -6.451 1.00 52.13 C ATOM 4 O GLY A 2 3.385 7.042 -6.328 1.00 1.42 O ATOM 0 HA2 GLY A 2 5.747 8.421 -7.955 1.00 45.03 H new ATOM 0 HA3 GLY A 2 4.770 9.580 -7.077 1.00 45.03 H new ATOM 8 N ALA A 3 5.528 7.240 -5.670 1.00 33.31 N ATOM 9 CA ALA A 3 5.404 6.259 -4.598 1.00 23.33 C ATOM 10 C ALA A 3 4.859 4.936 -5.126 1.00 30.41 C ATOM 11 O ALA A 3 3.755 4.522 -4.770 1.00 41.04 O ATOM 12 CB ALA A 3 4.509 6.797 -3.491 1.00 52.21 C ATOM 0 H ALA A 3 6.457 7.652 -5.759 1.00 33.31 H new ATOM 0 HA ALA A 3 6.398 6.076 -4.189 1.00 23.33 H new ATOM 0 HB1 ALA A 3 4.425 6.054 -2.698 1.00 52.21 H new ATOM 0 HB2 ALA A 3 4.941 7.713 -3.087 1.00 52.21 H new ATOM 0 HB3 ALA A 3 3.519 7.010 -3.895 1.00 52.21 H new ATOM 18 N ARG A 4 5.639 4.277 -5.976 1.00 30.22 N ATOM 19 CA ARG A 4 5.234 3.001 -6.554 1.00 61.40 C ATOM 20 C ARG A 4 6.306 1.939 -6.333 1.00 75.35 C ATOM 21 O ARG A 4 7.500 2.240 -6.322 1.00 34.11 O ATOM 22 CB ARG A 4 4.959 3.160 -8.051 1.00 72.11 C ATOM 23 CG ARG A 4 3.705 2.439 -8.518 1.00 4.24 C ATOM 24 CD ARG A 4 3.365 2.790 -9.959 1.00 3.32 C ATOM 25 NE ARG A 4 1.930 2.715 -10.217 1.00 21.42 N ATOM 26 CZ ARG A 4 1.365 3.117 -11.350 1.00 0.43 C ATOM 27 NH1 ARG A 4 2.110 3.618 -12.326 1.00 50.23 N1+ ATOM 28 NH2 ARG A 4 0.051 3.016 -11.510 1.00 4.32 N ATOM 0 H ARG A 4 6.556 4.606 -6.280 1.00 30.22 H new ATOM 0 HA ARG A 4 4.320 2.678 -6.055 1.00 61.40 H new ATOM 0 HB2 ARG A 4 4.867 4.221 -8.285 1.00 72.11 H new ATOM 0 HB3 ARG A 4 5.815 2.784 -8.611 1.00 72.11 H new ATOM 0 HG2 ARG A 4 3.848 1.362 -8.429 1.00 4.24 H new ATOM 0 HG3 ARG A 4 2.869 2.704 -7.871 1.00 4.24 H new ATOM 0 HD2 ARG A 4 3.721 3.796 -10.181 1.00 3.32 H new ATOM 0 HD3 ARG A 4 3.890 2.111 -10.631 1.00 3.32 H new ATOM 0 HE ARG A 4 1.328 2.333 -9.487 1.00 21.42 H new ATOM 0 HH11 ARG A 4 3.120 3.696 -12.208 1.00 50.23 H new ATOM 0 HH12 ARG A 4 1.673 3.926 -13.195 1.00 50.23 H new ATOM 0 HH21 ARG A 4 -0.526 2.629 -10.763 1.00 4.32 H new ATOM 0 HH22 ARG A 4 -0.382 3.325 -12.380 1.00 4.32 H new ATOM 42 N ALA A 5 5.872 0.696 -6.155 1.00 0.24 N ATOM 43 CA ALA A 5 6.794 -0.411 -5.935 1.00 40.21 C ATOM 44 C ALA A 5 6.981 -1.230 -7.208 1.00 44.11 C ATOM 45 O ALA A 5 6.295 -1.011 -8.206 1.00 23.10 O ATOM 46 CB ALA A 5 6.294 -1.298 -4.805 1.00 72.15 C ATOM 0 H ALA A 5 4.887 0.430 -6.159 1.00 0.24 H new ATOM 0 HA ALA A 5 7.762 0.005 -5.655 1.00 40.21 H new ATOM 0 HB1 ALA A 5 6.993 -2.121 -4.652 1.00 72.15 H new ATOM 0 HB2 ALA A 5 6.217 -0.712 -3.889 1.00 72.15 H new ATOM 0 HB3 ALA A 5 5.313 -1.698 -5.063 1.00 72.15 H new ATOM 52 N SER A 6 7.917 -2.174 -7.167 1.00 51.14 N ATOM 53 CA SER A 6 8.199 -3.023 -8.318 1.00 32.51 C ATOM 54 C SER A 6 8.927 -4.294 -7.892 1.00 45.01 C ATOM 55 O SER A 6 9.541 -4.343 -6.825 1.00 4.14 O ATOM 56 CB SER A 6 9.037 -2.262 -9.347 1.00 64.52 C ATOM 57 OG SER A 6 8.476 -2.370 -10.643 1.00 3.04 O ATOM 0 H SER A 6 8.493 -2.370 -6.348 1.00 51.14 H new ATOM 0 HA SER A 6 7.248 -3.305 -8.771 1.00 32.51 H new ATOM 0 HB2 SER A 6 9.102 -1.212 -9.062 1.00 64.52 H new ATOM 0 HB3 SER A 6 10.054 -2.654 -9.354 1.00 64.52 H new ATOM 0 HG SER A 6 9.029 -1.874 -11.281 1.00 3.04 H new ATOM 63 N VAL A 7 8.855 -5.320 -8.733 1.00 53.14 N ATOM 64 CA VAL A 7 9.508 -6.592 -8.445 1.00 13.02 C ATOM 65 C VAL A 7 10.905 -6.642 -9.052 1.00 75.32 C ATOM 66 O VAL A 7 11.906 -6.618 -8.335 1.00 21.31 O ATOM 67 CB VAL A 7 8.685 -7.779 -8.980 1.00 71.21 C ATOM 68 CG1 VAL A 7 9.386 -9.094 -8.677 1.00 2.11 C ATOM 69 CG2 VAL A 7 7.283 -7.765 -8.388 1.00 31.30 C ATOM 0 H VAL A 7 8.351 -5.296 -9.620 1.00 53.14 H new ATOM 0 HA VAL A 7 9.583 -6.671 -7.360 1.00 13.02 H new ATOM 0 HB VAL A 7 8.599 -7.681 -10.062 1.00 71.21 H new ATOM 0 HG11 VAL A 7 8.790 -9.921 -9.062 1.00 2.11 H new ATOM 0 HG12 VAL A 7 10.367 -9.101 -9.152 1.00 2.11 H new ATOM 0 HG13 VAL A 7 9.504 -9.203 -7.599 1.00 2.11 H new ATOM 0 HG21 VAL A 7 6.715 -8.610 -8.777 1.00 31.30 H new ATOM 0 HG22 VAL A 7 7.346 -7.839 -7.302 1.00 31.30 H new ATOM 0 HG23 VAL A 7 6.782 -6.836 -8.660 1.00 31.30 H new ATOM 79 N LEU A 8 10.966 -6.712 -10.377 1.00 32.33 N ATOM 80 CA LEU A 8 12.242 -6.764 -11.082 1.00 11.13 C ATOM 81 C LEU A 8 12.505 -5.461 -11.830 1.00 53.42 C ATOM 82 O LEU A 8 11.685 -5.019 -12.634 1.00 31.53 O ATOM 83 CB LEU A 8 12.258 -7.939 -12.061 1.00 51.44 C ATOM 84 CG LEU A 8 12.223 -9.335 -11.436 1.00 32.22 C ATOM 85 CD1 LEU A 8 12.359 -10.404 -12.508 1.00 2.34 C ATOM 86 CD2 LEU A 8 13.321 -9.479 -10.393 1.00 4.22 C ATOM 0 H LEU A 8 10.147 -6.734 -10.985 1.00 32.33 H new ATOM 0 HA LEU A 8 13.032 -6.903 -10.343 1.00 11.13 H new ATOM 0 HB2 LEU A 8 11.403 -7.841 -12.729 1.00 51.44 H new ATOM 0 HB3 LEU A 8 13.154 -7.861 -12.677 1.00 51.44 H new ATOM 0 HG LEU A 8 11.260 -9.467 -10.942 1.00 32.22 H new ATOM 0 HD11 LEU A 8 12.332 -11.390 -12.044 1.00 2.34 H new ATOM 0 HD12 LEU A 8 11.537 -10.314 -13.218 1.00 2.34 H new ATOM 0 HD13 LEU A 8 13.306 -10.275 -13.032 1.00 2.34 H new ATOM 0 HD21 LEU A 8 13.281 -10.478 -9.959 1.00 4.22 H new ATOM 0 HD22 LEU A 8 14.292 -9.326 -10.864 1.00 4.22 H new ATOM 0 HD23 LEU A 8 13.177 -8.736 -9.608 1.00 4.22 H new ATOM 98 N SER A 9 13.656 -4.852 -11.561 1.00 11.44 N ATOM 99 CA SER A 9 14.027 -3.600 -12.208 1.00 61.52 C ATOM 100 C SER A 9 14.441 -3.837 -13.656 1.00 0.04 C ATOM 101 O SER A 9 14.425 -4.968 -14.141 1.00 33.23 O ATOM 102 CB SER A 9 15.167 -2.925 -11.443 1.00 64.31 C ATOM 103 OG SER A 9 16.428 -3.315 -11.961 1.00 63.34 O ATOM 0 H SER A 9 14.347 -5.206 -10.899 1.00 11.44 H new ATOM 0 HA SER A 9 13.156 -2.945 -12.201 1.00 61.52 H new ATOM 0 HB2 SER A 9 15.062 -1.842 -11.508 1.00 64.31 H new ATOM 0 HB3 SER A 9 15.107 -3.188 -10.387 1.00 64.31 H new ATOM 0 HG SER A 9 17.141 -2.869 -11.457 1.00 63.34 H new ATOM 109 N GLY A 10 14.812 -2.761 -14.344 1.00 72.24 N ATOM 110 CA GLY A 10 15.225 -2.872 -15.730 1.00 2.13 C ATOM 111 C GLY A 10 16.284 -3.938 -15.936 1.00 14.31 C ATOM 112 O GLY A 10 16.174 -4.765 -16.841 1.00 41.33 O ATOM 0 H GLY A 10 14.834 -1.814 -13.965 1.00 72.24 H new ATOM 0 HA2 GLY A 10 14.357 -3.103 -16.347 1.00 2.13 H new ATOM 0 HA3 GLY A 10 15.611 -1.911 -16.069 1.00 2.13 H new ATOM 116 N GLY A 11 17.313 -3.919 -15.095 1.00 61.43 N ATOM 117 CA GLY A 11 18.381 -4.895 -15.207 1.00 23.33 C ATOM 118 C GLY A 11 17.903 -6.309 -14.944 1.00 3.41 C ATOM 119 O GLY A 11 18.166 -7.216 -15.735 1.00 74.12 O ATOM 0 H GLY A 11 17.426 -3.245 -14.338 1.00 61.43 H new ATOM 0 HA2 GLY A 11 18.815 -4.841 -16.205 1.00 23.33 H new ATOM 0 HA3 GLY A 11 19.173 -4.645 -14.501 1.00 23.33 H new ATOM 123 N GLU A 12 17.203 -6.500 -13.831 1.00 21.23 N ATOM 124 CA GLU A 12 16.691 -7.815 -13.466 1.00 31.34 C ATOM 125 C GLU A 12 15.735 -8.342 -14.533 1.00 32.15 C ATOM 126 O GLU A 12 15.705 -9.540 -14.820 1.00 31.42 O ATOM 127 CB GLU A 12 15.977 -7.753 -12.114 1.00 64.01 C ATOM 128 CG GLU A 12 16.763 -7.009 -11.046 1.00 54.52 C ATOM 129 CD GLU A 12 16.107 -7.085 -9.681 1.00 14.21 C ATOM 130 OE1 GLU A 12 15.086 -6.396 -9.475 1.00 0.31 O ATOM 131 OE2 GLU A 12 16.614 -7.833 -8.820 1.00 51.44 O1- ATOM 0 H GLU A 12 16.977 -5.760 -13.166 1.00 21.23 H new ATOM 0 HA GLU A 12 17.538 -8.497 -13.391 1.00 31.34 H new ATOM 0 HB2 GLU A 12 15.009 -7.269 -12.245 1.00 64.01 H new ATOM 0 HB3 GLU A 12 15.781 -8.768 -11.769 1.00 64.01 H new ATOM 0 HG2 GLU A 12 17.769 -7.424 -10.985 1.00 54.52 H new ATOM 0 HG3 GLU A 12 16.866 -5.964 -11.338 1.00 54.52 H new ATOM 138 N LEU A 13 14.955 -7.439 -15.118 1.00 61.24 N ATOM 139 CA LEU A 13 13.997 -7.811 -16.153 1.00 3.22 C ATOM 140 C LEU A 13 14.712 -8.346 -17.390 1.00 3.42 C ATOM 141 O LEU A 13 14.294 -9.343 -17.979 1.00 14.33 O ATOM 142 CB LEU A 13 13.131 -6.608 -16.531 1.00 40.30 C ATOM 143 CG LEU A 13 11.711 -6.925 -17.003 1.00 4.30 C ATOM 144 CD1 LEU A 13 11.735 -7.985 -18.094 1.00 44.14 C ATOM 145 CD2 LEU A 13 10.850 -7.379 -15.834 1.00 12.12 C ATOM 0 H LEU A 13 14.967 -6.444 -14.893 1.00 61.24 H new ATOM 0 HA LEU A 13 13.358 -8.600 -15.755 1.00 3.22 H new ATOM 0 HB2 LEU A 13 13.066 -5.947 -15.667 1.00 40.30 H new ATOM 0 HB3 LEU A 13 13.639 -6.053 -17.320 1.00 40.30 H new ATOM 0 HG LEU A 13 11.275 -6.016 -17.418 1.00 4.30 H new ATOM 0 HD11 LEU A 13 10.716 -8.198 -18.417 1.00 44.14 H new ATOM 0 HD12 LEU A 13 12.316 -7.622 -18.942 1.00 44.14 H new ATOM 0 HD13 LEU A 13 12.190 -8.896 -17.706 1.00 44.14 H new ATOM 0 HD21 LEU A 13 9.843 -7.600 -16.188 1.00 12.12 H new ATOM 0 HD22 LEU A 13 11.283 -8.275 -15.389 1.00 12.12 H new ATOM 0 HD23 LEU A 13 10.806 -6.588 -15.086 1.00 12.12 H new ATOM 157 N ASP A 14 15.793 -7.678 -17.777 1.00 22.03 N ATOM 158 CA ASP A 14 16.569 -8.086 -18.942 1.00 54.23 C ATOM 159 C ASP A 14 17.022 -9.538 -18.811 1.00 60.24 C ATOM 160 O ASP A 14 16.750 -10.365 -19.680 1.00 51.21 O ATOM 161 CB ASP A 14 17.784 -7.175 -19.119 1.00 71.31 C ATOM 162 CG ASP A 14 17.976 -6.739 -20.558 1.00 44.41 C ATOM 163 OD1 ASP A 14 18.663 -7.463 -21.309 1.00 15.14 O1- ATOM 164 OD2 ASP A 14 17.442 -5.675 -20.933 1.00 61.21 O ATOM 0 H ASP A 14 16.152 -6.851 -17.300 1.00 22.03 H new ATOM 0 HA ASP A 14 15.930 -8.000 -19.821 1.00 54.23 H new ATOM 0 HB2 ASP A 14 17.669 -6.294 -18.488 1.00 71.31 H new ATOM 0 HB3 ASP A 14 18.678 -7.697 -18.778 1.00 71.31 H new ATOM 169 N LYS A 15 17.715 -9.839 -17.718 1.00 1.41 N ATOM 170 CA LYS A 15 18.206 -11.189 -17.471 1.00 2.31 C ATOM 171 C LYS A 15 17.049 -12.155 -17.232 1.00 21.11 C ATOM 172 O LYS A 15 17.062 -13.286 -17.717 1.00 25.05 O ATOM 173 CB LYS A 15 19.150 -11.199 -16.266 1.00 30.04 C ATOM 174 CG LYS A 15 20.421 -10.396 -16.482 1.00 54.20 C ATOM 175 CD LYS A 15 21.307 -11.030 -17.542 1.00 71.33 C ATOM 176 CE LYS A 15 21.199 -10.296 -18.870 1.00 24.10 C ATOM 177 NZ LYS A 15 21.196 -11.236 -20.025 1.00 75.11 N1+ ATOM 0 H LYS A 15 17.949 -9.165 -16.989 1.00 1.41 H new ATOM 0 HA LYS A 15 18.752 -11.516 -18.356 1.00 2.31 H new ATOM 0 HB2 LYS A 15 18.623 -10.802 -15.399 1.00 30.04 H new ATOM 0 HB3 LYS A 15 19.417 -12.230 -16.033 1.00 30.04 H new ATOM 0 HG2 LYS A 15 20.164 -9.380 -16.781 1.00 54.20 H new ATOM 0 HG3 LYS A 15 20.970 -10.323 -15.543 1.00 54.20 H new ATOM 0 HD2 LYS A 15 22.343 -11.022 -17.204 1.00 71.33 H new ATOM 0 HD3 LYS A 15 21.024 -12.074 -17.678 1.00 71.33 H new ATOM 0 HE2 LYS A 15 20.285 -9.702 -18.883 1.00 24.10 H new ATOM 0 HE3 LYS A 15 22.033 -9.601 -18.970 1.00 24.10 H new ATOM 0 HZ1 LYS A 15 21.121 -10.697 -20.911 1.00 75.11 H new ATOM 0 HZ2 LYS A 15 22.079 -11.786 -20.028 1.00 75.11 H new ATOM 0 HZ3 LYS A 15 20.386 -11.883 -19.944 1.00 75.11 H new ATOM 191 N TRP A 16 16.051 -11.699 -16.484 1.00 52.43 N ATOM 192 CA TRP A 16 14.885 -12.523 -16.183 1.00 24.41 C ATOM 193 C TRP A 16 14.262 -13.072 -17.461 1.00 12.25 C ATOM 194 O TRP A 16 14.034 -14.275 -17.584 1.00 44.02 O ATOM 195 CB TRP A 16 13.850 -11.711 -15.404 1.00 70.13 C ATOM 196 CG TRP A 16 12.550 -12.433 -15.213 1.00 65.14 C ATOM 197 CD1 TRP A 16 11.430 -12.323 -15.987 1.00 43.11 C ATOM 198 CD2 TRP A 16 12.236 -13.373 -14.180 1.00 13.01 C ATOM 199 NE1 TRP A 16 10.439 -13.139 -15.498 1.00 71.13 N ATOM 200 CE2 TRP A 16 10.908 -13.794 -14.391 1.00 54.34 C ATOM 201 CE3 TRP A 16 12.947 -13.902 -13.100 1.00 51.10 C ATOM 202 CZ2 TRP A 16 10.280 -14.718 -13.559 1.00 31.15 C ATOM 203 CZ3 TRP A 16 12.322 -14.819 -12.276 1.00 31.30 C ATOM 204 CH2 TRP A 16 11.000 -15.220 -12.510 1.00 72.42 C ATOM 0 H TRP A 16 16.025 -10.765 -16.075 1.00 52.43 H new ATOM 0 HA TRP A 16 15.213 -13.364 -15.571 1.00 24.41 H new ATOM 0 HB2 TRP A 16 14.261 -11.453 -14.428 1.00 70.13 H new ATOM 0 HB3 TRP A 16 13.663 -10.774 -15.929 1.00 70.13 H new ATOM 0 HD1 TRP A 16 11.337 -11.688 -16.856 1.00 43.11 H new ATOM 0 HE1 TRP A 16 9.505 -13.240 -15.895 1.00 71.13 H new ATOM 0 HE3 TRP A 16 13.967 -13.600 -12.912 1.00 51.10 H new ATOM 0 HZ2 TRP A 16 9.260 -15.027 -13.736 1.00 31.15 H new ATOM 0 HZ3 TRP A 16 12.862 -15.234 -11.437 1.00 31.30 H new ATOM 0 HH2 TRP A 16 10.540 -15.940 -11.849 1.00 72.42 H new ATOM 215 N GLU A 17 13.987 -12.182 -18.411 1.00 41.24 N ATOM 216 CA GLU A 17 13.389 -12.581 -19.679 1.00 22.52 C ATOM 217 C GLU A 17 14.289 -13.564 -20.420 1.00 1.45 C ATOM 218 O GLU A 17 13.820 -14.365 -21.230 1.00 51.34 O ATOM 219 CB GLU A 17 13.128 -11.352 -20.554 1.00 42.54 C ATOM 220 CG GLU A 17 11.712 -10.814 -20.441 1.00 21.24 C ATOM 221 CD GLU A 17 11.201 -10.239 -21.748 1.00 52.31 C ATOM 222 OE1 GLU A 17 11.282 -10.942 -22.777 1.00 72.12 O1- ATOM 223 OE2 GLU A 17 10.720 -9.087 -21.741 1.00 44.41 O ATOM 0 H GLU A 17 14.169 -11.182 -18.326 1.00 41.24 H new ATOM 0 HA GLU A 17 12.441 -13.074 -19.465 1.00 22.52 H new ATOM 0 HB2 GLU A 17 13.830 -10.565 -20.279 1.00 42.54 H new ATOM 0 HB3 GLU A 17 13.328 -11.608 -21.594 1.00 42.54 H new ATOM 0 HG2 GLU A 17 11.048 -11.615 -20.116 1.00 21.24 H new ATOM 0 HG3 GLU A 17 11.681 -10.042 -19.672 1.00 21.24 H new ATOM 230 N LYS A 18 15.586 -13.499 -20.139 1.00 62.24 N ATOM 231 CA LYS A 18 16.555 -14.382 -20.777 1.00 14.11 C ATOM 232 C LYS A 18 16.523 -15.770 -20.144 1.00 1.23 C ATOM 233 O LYS A 18 16.459 -16.780 -20.846 1.00 71.15 O ATOM 234 CB LYS A 18 17.962 -13.793 -20.669 1.00 21.33 C ATOM 235 CG LYS A 18 19.004 -14.554 -21.471 1.00 52.31 C ATOM 236 CD LYS A 18 19.104 -14.032 -22.894 1.00 61.12 C ATOM 237 CE LYS A 18 20.049 -14.879 -23.733 1.00 12.13 C ATOM 238 NZ LYS A 18 20.287 -14.279 -25.075 1.00 3.44 N1+ ATOM 0 H LYS A 18 15.991 -12.842 -19.472 1.00 62.24 H new ATOM 0 HA LYS A 18 16.288 -14.475 -21.830 1.00 14.11 H new ATOM 0 HB2 LYS A 18 17.940 -12.757 -21.008 1.00 21.33 H new ATOM 0 HB3 LYS A 18 18.261 -13.779 -19.621 1.00 21.33 H new ATOM 0 HG2 LYS A 18 19.974 -14.468 -20.982 1.00 52.31 H new ATOM 0 HG3 LYS A 18 18.748 -15.613 -21.488 1.00 52.31 H new ATOM 0 HD2 LYS A 18 18.115 -14.027 -23.351 1.00 61.12 H new ATOM 0 HD3 LYS A 18 19.454 -13.000 -22.880 1.00 61.12 H new ATOM 0 HE2 LYS A 18 20.999 -14.989 -23.210 1.00 12.13 H new ATOM 0 HE3 LYS A 18 19.633 -15.879 -23.851 1.00 12.13 H new ATOM 0 HZ1 LYS A 18 20.936 -14.885 -25.616 1.00 3.44 H new ATOM 0 HZ2 LYS A 18 19.384 -14.197 -25.584 1.00 3.44 H new ATOM 0 HZ3 LYS A 18 20.708 -13.335 -24.963 1.00 3.44 H new ATOM 252 N ILE A 19 16.568 -15.811 -18.817 1.00 10.51 N ATOM 253 CA ILE A 19 16.542 -17.076 -18.091 1.00 65.11 C ATOM 254 C ILE A 19 15.373 -17.945 -18.542 1.00 4.43 C ATOM 255 O ILE A 19 14.257 -17.459 -18.720 1.00 61.41 O ATOM 256 CB ILE A 19 16.443 -16.849 -16.571 1.00 14.34 C ATOM 257 CG1 ILE A 19 17.625 -16.013 -16.079 1.00 42.11 C ATOM 258 CG2 ILE A 19 16.389 -18.183 -15.840 1.00 40.32 C ATOM 259 CD1 ILE A 19 17.231 -14.923 -15.106 1.00 11.31 C ATOM 0 H ILE A 19 16.623 -14.984 -18.222 1.00 10.51 H new ATOM 0 HA ILE A 19 17.478 -17.588 -18.314 1.00 65.11 H new ATOM 0 HB ILE A 19 15.524 -16.302 -16.359 1.00 14.34 H new ATOM 0 HG12 ILE A 19 18.351 -16.671 -15.601 1.00 42.11 H new ATOM 0 HG13 ILE A 19 18.122 -15.561 -16.937 1.00 42.11 H new ATOM 0 HG21 ILE A 19 16.319 -18.007 -14.767 1.00 40.32 H new ATOM 0 HG22 ILE A 19 15.517 -18.745 -16.173 1.00 40.32 H new ATOM 0 HG23 ILE A 19 17.292 -18.753 -16.056 1.00 40.32 H new ATOM 0 HD11 ILE A 19 18.119 -14.371 -14.799 1.00 11.31 H new ATOM 0 HD12 ILE A 19 16.529 -14.242 -15.587 1.00 11.31 H new ATOM 0 HD13 ILE A 19 16.761 -15.370 -14.230 1.00 11.31 H new ATOM 271 N ARG A 20 15.639 -19.234 -18.725 1.00 35.32 N ATOM 272 CA ARG A 20 14.609 -20.172 -19.155 1.00 41.50 C ATOM 273 C ARG A 20 14.113 -21.011 -17.981 1.00 34.12 C ATOM 274 O ARG A 20 14.863 -21.295 -17.047 1.00 15.10 O ATOM 275 CB ARG A 20 15.150 -21.087 -20.256 1.00 55.01 C ATOM 276 CG ARG A 20 15.515 -20.351 -21.535 1.00 34.51 C ATOM 277 CD ARG A 20 15.767 -21.318 -22.682 1.00 64.11 C ATOM 278 NE ARG A 20 17.136 -21.825 -22.677 1.00 12.12 N ATOM 279 CZ ARG A 20 17.645 -22.576 -23.648 1.00 33.34 C ATOM 280 NH1 ARG A 20 16.901 -22.903 -24.696 1.00 10.35 N1+ ATOM 281 NH2 ARG A 20 18.899 -23.000 -23.573 1.00 61.15 N ATOM 0 H ARG A 20 16.558 -19.652 -18.582 1.00 35.32 H new ATOM 0 HA ARG A 20 13.771 -19.597 -19.548 1.00 41.50 H new ATOM 0 HB2 ARG A 20 16.031 -21.609 -19.883 1.00 55.01 H new ATOM 0 HB3 ARG A 20 14.403 -21.847 -20.485 1.00 55.01 H new ATOM 0 HG2 ARG A 20 14.710 -19.667 -21.805 1.00 34.51 H new ATOM 0 HG3 ARG A 20 16.405 -19.745 -21.366 1.00 34.51 H new ATOM 0 HD2 ARG A 20 15.070 -22.153 -22.612 1.00 64.11 H new ATOM 0 HD3 ARG A 20 15.569 -20.817 -23.629 1.00 64.11 H new ATOM 0 HE ARG A 20 17.734 -21.590 -21.885 1.00 12.12 H new ATOM 0 HH11 ARG A 20 15.936 -22.578 -24.758 1.00 10.35 H new ATOM 0 HH12 ARG A 20 17.294 -23.480 -25.440 1.00 10.35 H new ATOM 0 HH21 ARG A 20 19.475 -22.750 -22.769 1.00 61.15 H new ATOM 0 HH22 ARG A 20 19.288 -23.576 -24.319 1.00 61.15 H new ATOM 295 N LEU A 21 12.844 -21.402 -18.035 1.00 12.11 N ATOM 296 CA LEU A 21 12.247 -22.208 -16.976 1.00 75.42 C ATOM 297 C LEU A 21 12.933 -23.566 -16.871 1.00 3.43 C ATOM 298 O LEU A 21 12.942 -24.188 -15.809 1.00 60.22 O ATOM 299 CB LEU A 21 10.751 -22.399 -17.236 1.00 74.41 C ATOM 300 CG LEU A 21 9.956 -21.130 -17.544 1.00 63.55 C ATOM 301 CD1 LEU A 21 8.989 -21.370 -18.692 1.00 11.31 C ATOM 302 CD2 LEU A 21 9.208 -20.654 -16.306 1.00 5.31 C ATOM 0 H LEU A 21 12.209 -21.174 -18.800 1.00 12.11 H new ATOM 0 HA LEU A 21 12.382 -21.680 -16.032 1.00 75.42 H new ATOM 0 HB2 LEU A 21 10.633 -23.089 -18.071 1.00 74.41 H new ATOM 0 HB3 LEU A 21 10.309 -22.878 -16.362 1.00 74.41 H new ATOM 0 HG LEU A 21 10.657 -20.351 -17.843 1.00 63.55 H new ATOM 0 HD11 LEU A 21 8.432 -20.455 -18.896 1.00 11.31 H new ATOM 0 HD12 LEU A 21 9.546 -21.662 -19.582 1.00 11.31 H new ATOM 0 HD13 LEU A 21 8.294 -22.165 -18.422 1.00 11.31 H new ATOM 0 HD21 LEU A 21 8.648 -19.750 -16.545 1.00 5.31 H new ATOM 0 HD22 LEU A 21 8.519 -21.431 -15.976 1.00 5.31 H new ATOM 0 HD23 LEU A 21 9.921 -20.440 -15.510 1.00 5.31 H new ATOM 314 N ARG A 22 13.510 -24.019 -17.980 1.00 74.33 N ATOM 315 CA ARG A 22 14.200 -25.302 -18.012 1.00 35.12 C ATOM 316 C ARG A 22 15.554 -25.173 -18.701 1.00 3.41 C ATOM 317 O ARG A 22 15.808 -24.235 -19.458 1.00 14.21 O ATOM 318 CB ARG A 22 13.346 -26.347 -18.733 1.00 21.33 C ATOM 319 CG ARG A 22 12.519 -27.211 -17.796 1.00 34.21 C ATOM 320 CD ARG A 22 12.251 -28.583 -18.393 1.00 4.11 C ATOM 321 NE ARG A 22 13.007 -29.633 -17.713 1.00 21.23 N ATOM 322 CZ ARG A 22 12.769 -30.929 -17.871 1.00 14.54 C ATOM 323 NH1 ARG A 22 11.801 -31.335 -18.680 1.00 35.25 N1+ ATOM 324 NH2 ARG A 22 13.500 -31.824 -17.218 1.00 63.20 N ATOM 0 H ARG A 22 13.513 -23.516 -18.867 1.00 74.33 H new ATOM 0 HA ARG A 22 14.364 -25.624 -16.984 1.00 35.12 H new ATOM 0 HB2 ARG A 22 12.678 -25.840 -19.430 1.00 21.33 H new ATOM 0 HB3 ARG A 22 13.997 -26.989 -19.326 1.00 21.33 H new ATOM 0 HG2 ARG A 22 13.042 -27.322 -16.846 1.00 34.21 H new ATOM 0 HG3 ARG A 22 11.572 -26.715 -17.583 1.00 34.21 H new ATOM 0 HD2 ARG A 22 11.186 -28.804 -18.329 1.00 4.11 H new ATOM 0 HD3 ARG A 22 12.512 -28.575 -19.451 1.00 4.11 H new ATOM 0 HE ARG A 22 13.759 -29.354 -17.082 1.00 21.23 H new ATOM 0 HH11 ARG A 22 11.236 -30.651 -19.183 1.00 35.25 H new ATOM 0 HH12 ARG A 22 11.621 -32.332 -18.799 1.00 35.25 H new ATOM 0 HH21 ARG A 22 14.246 -31.516 -16.594 1.00 63.20 H new ATOM 0 HH22 ARG A 22 13.316 -32.820 -17.340 1.00 63.20 H new ATOM 338 N PRO A 23 16.449 -26.138 -18.435 1.00 31.45 N ATOM 339 CA PRO A 23 17.793 -26.154 -19.020 1.00 50.22 C ATOM 340 C PRO A 23 17.771 -26.452 -20.515 1.00 35.42 C ATOM 341 O PRO A 23 18.415 -25.762 -21.305 1.00 71.03 O ATOM 342 CB PRO A 23 18.495 -27.282 -18.261 1.00 43.42 C ATOM 343 CG PRO A 23 17.394 -28.180 -17.811 1.00 40.43 C ATOM 344 CD PRO A 23 16.215 -27.286 -17.544 1.00 64.04 C ATOM 0 HA PRO A 23 18.289 -25.187 -18.930 1.00 50.22 H new ATOM 0 HB2 PRO A 23 19.200 -27.811 -18.902 1.00 43.42 H new ATOM 0 HB3 PRO A 23 19.062 -26.896 -17.414 1.00 43.42 H new ATOM 0 HG2 PRO A 23 17.157 -28.921 -18.575 1.00 40.43 H new ATOM 0 HG3 PRO A 23 17.680 -28.728 -16.913 1.00 40.43 H new ATOM 0 HD2 PRO A 23 15.273 -27.785 -17.771 1.00 64.04 H new ATOM 0 HD3 PRO A 23 16.171 -26.981 -16.499 1.00 64.04 H new ATOM 352 N GLY A 24 17.025 -27.484 -20.898 1.00 22.43 N ATOM 353 CA GLY A 24 16.934 -27.854 -22.299 1.00 75.23 C ATOM 354 C GLY A 24 15.549 -27.619 -22.871 1.00 65.20 C ATOM 355 O GLY A 24 15.067 -28.400 -23.690 1.00 64.45 O ATOM 0 H GLY A 24 16.482 -28.070 -20.264 1.00 22.43 H new ATOM 0 HA2 GLY A 24 17.663 -27.280 -22.871 1.00 75.23 H new ATOM 0 HA3 GLY A 24 17.197 -28.906 -22.412 1.00 75.23 H new ATOM 359 N GLY A 25 14.908 -26.537 -22.438 1.00 11.25 N ATOM 360 CA GLY A 25 13.576 -26.221 -22.923 1.00 42.04 C ATOM 361 C GLY A 25 13.602 -25.339 -24.155 1.00 54.30 C ATOM 362 O GLY A 25 14.662 -25.091 -24.729 1.00 42.31 O ATOM 0 H GLY A 25 15.286 -25.874 -21.761 1.00 11.25 H new ATOM 0 HA2 GLY A 25 13.048 -27.146 -23.153 1.00 42.04 H new ATOM 0 HA3 GLY A 25 13.014 -25.721 -22.134 1.00 42.04 H new ATOM 366 N LYS A 26 12.431 -24.864 -24.564 1.00 2.14 N ATOM 367 CA LYS A 26 12.321 -24.004 -25.736 1.00 13.54 C ATOM 368 C LYS A 26 11.531 -22.740 -25.412 1.00 5.14 C ATOM 369 O LYS A 26 10.924 -22.132 -26.294 1.00 13.12 O ATOM 370 CB LYS A 26 11.649 -24.758 -26.886 1.00 22.24 C ATOM 371 CG LYS A 26 12.274 -24.481 -28.243 1.00 34.42 C ATOM 372 CD LYS A 26 12.602 -25.768 -28.979 1.00 63.12 C ATOM 373 CE LYS A 26 13.868 -25.628 -29.810 1.00 63.54 C ATOM 374 NZ LYS A 26 14.038 -26.761 -30.761 1.00 72.24 N1+ ATOM 0 H LYS A 26 11.544 -25.060 -24.101 1.00 2.14 H new ATOM 0 HA LYS A 26 13.327 -23.714 -26.038 1.00 13.54 H new ATOM 0 HB2 LYS A 26 11.697 -25.828 -26.685 1.00 22.24 H new ATOM 0 HB3 LYS A 26 10.594 -24.487 -26.919 1.00 22.24 H new ATOM 0 HG2 LYS A 26 11.590 -23.881 -28.844 1.00 34.42 H new ATOM 0 HG3 LYS A 26 13.183 -23.894 -28.113 1.00 34.42 H new ATOM 0 HD2 LYS A 26 12.725 -26.578 -28.260 1.00 63.12 H new ATOM 0 HD3 LYS A 26 11.769 -26.040 -29.627 1.00 63.12 H new ATOM 0 HE2 LYS A 26 13.836 -24.690 -30.365 1.00 63.54 H new ATOM 0 HE3 LYS A 26 14.733 -25.577 -29.148 1.00 63.54 H new ATOM 0 HZ1 LYS A 26 14.912 -26.627 -31.308 1.00 72.24 H new ATOM 0 HZ2 LYS A 26 14.095 -27.654 -30.231 1.00 72.24 H new ATOM 0 HZ3 LYS A 26 13.226 -26.795 -31.410 1.00 72.24 H new ATOM 388 N LYS A 27 11.545 -22.348 -24.143 1.00 74.23 N ATOM 389 CA LYS A 27 10.832 -21.155 -23.703 1.00 70.22 C ATOM 390 C LYS A 27 11.668 -20.359 -22.705 1.00 70.00 C ATOM 391 O LYS A 27 12.641 -20.870 -22.151 1.00 51.52 O ATOM 392 CB LYS A 27 9.493 -21.541 -23.069 1.00 61.32 C ATOM 393 CG LYS A 27 8.289 -20.954 -23.786 1.00 41.22 C ATOM 394 CD LYS A 27 7.426 -20.132 -22.845 1.00 72.52 C ATOM 395 CE LYS A 27 6.074 -19.812 -23.464 1.00 43.31 C ATOM 396 NZ LYS A 27 5.731 -18.369 -23.333 1.00 20.34 N1+ ATOM 0 H LYS A 27 12.043 -22.839 -23.401 1.00 74.23 H new ATOM 0 HA LYS A 27 10.647 -20.530 -24.576 1.00 70.22 H new ATOM 0 HB2 LYS A 27 9.405 -22.627 -23.059 1.00 61.32 H new ATOM 0 HB3 LYS A 27 9.484 -21.211 -22.030 1.00 61.32 H new ATOM 0 HG2 LYS A 27 8.626 -20.328 -24.612 1.00 41.22 H new ATOM 0 HG3 LYS A 27 7.694 -21.759 -24.218 1.00 41.22 H new ATOM 0 HD2 LYS A 27 7.280 -20.678 -21.913 1.00 72.52 H new ATOM 0 HD3 LYS A 27 7.941 -19.205 -22.594 1.00 72.52 H new ATOM 0 HE2 LYS A 27 6.083 -20.089 -24.518 1.00 43.31 H new ATOM 0 HE3 LYS A 27 5.303 -20.414 -22.983 1.00 43.31 H new ATOM 0 HZ1 LYS A 27 4.803 -18.192 -23.767 1.00 20.34 H new ATOM 0 HZ2 LYS A 27 5.697 -18.110 -22.326 1.00 20.34 H new ATOM 0 HZ3 LYS A 27 6.453 -17.795 -23.814 1.00 20.34 H new ATOM 410 N GLN A 28 11.281 -19.107 -22.482 1.00 41.25 N ATOM 411 CA GLN A 28 11.995 -18.243 -21.551 1.00 62.35 C ATOM 412 C GLN A 28 11.066 -17.741 -20.450 1.00 0.01 C ATOM 413 O GLN A 28 9.855 -17.965 -20.497 1.00 45.52 O ATOM 414 CB GLN A 28 12.612 -17.056 -22.294 1.00 53.41 C ATOM 415 CG GLN A 28 13.319 -17.446 -23.582 1.00 54.35 C ATOM 416 CD GLN A 28 12.568 -16.994 -24.819 1.00 3.03 C ATOM 417 OE1 GLN A 28 11.624 -17.649 -25.260 1.00 11.13 O ATOM 418 NE2 GLN A 28 12.985 -15.867 -25.385 1.00 0.53 N ATOM 0 H GLN A 28 10.478 -18.669 -22.933 1.00 41.25 H new ATOM 0 HA GLN A 28 12.791 -18.828 -21.090 1.00 62.35 H new ATOM 0 HB2 GLN A 28 11.828 -16.334 -22.524 1.00 53.41 H new ATOM 0 HB3 GLN A 28 13.323 -16.556 -21.636 1.00 53.41 H new ATOM 0 HG2 GLN A 28 14.319 -17.012 -23.589 1.00 54.35 H new ATOM 0 HG3 GLN A 28 13.442 -18.529 -23.611 1.00 54.35 H new ATOM 0 HE21 GLN A 28 13.772 -15.356 -24.985 1.00 0.53 H new ATOM 0 HE22 GLN A 28 12.518 -15.512 -26.220 1.00 0.53 H new ATOM 427 N TYR A 29 11.639 -17.063 -19.462 1.00 21.13 N ATOM 428 CA TYR A 29 10.861 -16.533 -18.348 1.00 3.03 C ATOM 429 C TYR A 29 10.159 -15.237 -18.742 1.00 1.35 C ATOM 430 O TYR A 29 10.645 -14.485 -19.589 1.00 71.14 O ATOM 431 CB TYR A 29 11.765 -16.289 -17.139 1.00 65.04 C ATOM 432 CG TYR A 29 11.706 -17.391 -16.106 1.00 2.22 C ATOM 433 CD1 TYR A 29 10.607 -17.526 -15.267 1.00 21.43 C ATOM 434 CD2 TYR A 29 12.749 -18.299 -15.968 1.00 21.13 C ATOM 435 CE1 TYR A 29 10.548 -18.531 -14.321 1.00 64.22 C ATOM 436 CE2 TYR A 29 12.698 -19.308 -15.027 1.00 41.02 C ATOM 437 CZ TYR A 29 11.596 -19.420 -14.206 1.00 71.45 C ATOM 438 OH TYR A 29 11.543 -20.423 -13.265 1.00 34.52 O ATOM 0 H TYR A 29 12.639 -16.867 -19.410 1.00 21.13 H new ATOM 0 HA TYR A 29 10.103 -17.270 -18.084 1.00 3.03 H new ATOM 0 HB2 TYR A 29 12.794 -16.179 -17.482 1.00 65.04 H new ATOM 0 HB3 TYR A 29 11.483 -15.347 -16.669 1.00 65.04 H new ATOM 0 HD1 TYR A 29 9.784 -16.833 -15.356 1.00 21.43 H new ATOM 0 HD2 TYR A 29 13.615 -18.214 -16.608 1.00 21.13 H new ATOM 0 HE1 TYR A 29 9.687 -18.620 -13.676 1.00 64.22 H new ATOM 0 HE2 TYR A 29 13.517 -20.006 -14.934 1.00 41.02 H new ATOM 0 HH TYR A 29 12.296 -21.036 -13.397 1.00 34.52 H new ATOM 448 N LYS A 30 9.013 -14.981 -18.122 1.00 30.24 N ATOM 449 CA LYS A 30 8.242 -13.776 -18.405 1.00 34.21 C ATOM 450 C LYS A 30 7.462 -13.327 -17.173 1.00 52.22 C ATOM 451 O LYS A 30 7.338 -14.072 -16.199 1.00 11.14 O ATOM 452 CB LYS A 30 7.280 -14.021 -19.569 1.00 43.31 C ATOM 453 CG LYS A 30 7.393 -12.991 -20.679 1.00 34.22 C ATOM 454 CD LYS A 30 6.321 -13.193 -21.738 1.00 22.21 C ATOM 455 CE LYS A 30 6.854 -13.978 -22.927 1.00 51.20 C ATOM 456 NZ LYS A 30 6.308 -13.470 -24.216 1.00 11.54 N1+ ATOM 0 H LYS A 30 8.597 -15.592 -17.419 1.00 30.24 H new ATOM 0 HA LYS A 30 8.940 -12.985 -18.680 1.00 34.21 H new ATOM 0 HB2 LYS A 30 7.469 -15.011 -19.983 1.00 43.31 H new ATOM 0 HB3 LYS A 30 6.258 -14.024 -19.190 1.00 43.31 H new ATOM 0 HG2 LYS A 30 7.306 -11.990 -20.258 1.00 34.22 H new ATOM 0 HG3 LYS A 30 8.378 -13.058 -21.140 1.00 34.22 H new ATOM 0 HD2 LYS A 30 5.473 -13.721 -21.303 1.00 22.21 H new ATOM 0 HD3 LYS A 30 5.954 -12.224 -22.075 1.00 22.21 H new ATOM 0 HE2 LYS A 30 7.942 -13.917 -22.944 1.00 51.20 H new ATOM 0 HE3 LYS A 30 6.595 -15.031 -22.813 1.00 51.20 H new ATOM 0 HZ1 LYS A 30 6.695 -14.031 -25.002 1.00 11.54 H new ATOM 0 HZ2 LYS A 30 5.271 -13.552 -24.210 1.00 11.54 H new ATOM 0 HZ3 LYS A 30 6.576 -12.473 -24.338 1.00 11.54 H new ATOM 470 N LEU A 31 6.936 -12.109 -17.222 1.00 30.24 N ATOM 471 CA LEU A 31 6.166 -11.562 -16.111 1.00 24.33 C ATOM 472 C LEU A 31 5.028 -12.500 -15.723 1.00 13.51 C ATOM 473 O LEU A 31 4.592 -12.523 -14.572 1.00 35.12 O ATOM 474 CB LEU A 31 5.605 -10.187 -16.480 1.00 52.42 C ATOM 475 CG LEU A 31 6.494 -8.989 -16.149 1.00 30.42 C ATOM 476 CD1 LEU A 31 6.635 -8.827 -14.644 1.00 54.15 C ATOM 477 CD2 LEU A 31 7.860 -9.141 -16.802 1.00 45.44 C ATOM 0 H LEU A 31 7.029 -11.481 -18.020 1.00 30.24 H new ATOM 0 HA LEU A 31 6.834 -11.457 -15.256 1.00 24.33 H new ATOM 0 HB2 LEU A 31 5.399 -10.176 -17.550 1.00 52.42 H new ATOM 0 HB3 LEU A 31 4.650 -10.057 -15.970 1.00 52.42 H new ATOM 0 HG LEU A 31 6.022 -8.091 -16.547 1.00 30.42 H new ATOM 0 HD11 LEU A 31 7.272 -7.969 -14.428 1.00 54.15 H new ATOM 0 HD12 LEU A 31 5.651 -8.670 -14.201 1.00 54.15 H new ATOM 0 HD13 LEU A 31 7.083 -9.726 -14.222 1.00 54.15 H new ATOM 0 HD21 LEU A 31 8.479 -8.279 -16.555 1.00 45.44 H new ATOM 0 HD22 LEU A 31 8.339 -10.049 -16.436 1.00 45.44 H new ATOM 0 HD23 LEU A 31 7.741 -9.205 -17.884 1.00 45.44 H new ATOM 489 N LYS A 32 4.553 -13.277 -16.691 1.00 32.24 N ATOM 490 CA LYS A 32 3.467 -14.221 -16.452 1.00 43.04 C ATOM 491 C LYS A 32 3.776 -15.113 -15.253 1.00 64.31 C ATOM 492 O LYS A 32 2.880 -15.484 -14.494 1.00 21.15 O ATOM 493 CB LYS A 32 3.231 -15.083 -17.693 1.00 34.03 C ATOM 494 CG LYS A 32 1.762 -15.284 -18.024 1.00 73.32 C ATOM 495 CD LYS A 32 1.550 -15.518 -19.510 1.00 52.34 C ATOM 496 CE LYS A 32 1.119 -14.244 -20.218 1.00 0.11 C ATOM 497 NZ LYS A 32 1.385 -14.305 -21.682 1.00 44.20 N1+ ATOM 0 H LYS A 32 4.903 -13.272 -17.649 1.00 32.24 H new ATOM 0 HA LYS A 32 2.564 -13.650 -16.236 1.00 43.04 H new ATOM 0 HB2 LYS A 32 3.727 -14.620 -18.546 1.00 34.03 H new ATOM 0 HB3 LYS A 32 3.697 -16.057 -17.543 1.00 34.03 H new ATOM 0 HG2 LYS A 32 1.375 -16.134 -17.462 1.00 73.32 H new ATOM 0 HG3 LYS A 32 1.194 -14.409 -17.708 1.00 73.32 H new ATOM 0 HD2 LYS A 32 2.473 -15.889 -19.956 1.00 52.34 H new ATOM 0 HD3 LYS A 32 0.793 -16.289 -19.654 1.00 52.34 H new ATOM 0 HE2 LYS A 32 0.055 -14.077 -20.049 1.00 0.11 H new ATOM 0 HE3 LYS A 32 1.648 -13.393 -19.788 1.00 0.11 H new ATOM 0 HZ1 LYS A 32 1.077 -13.417 -22.128 1.00 44.20 H new ATOM 0 HZ2 LYS A 32 2.403 -14.439 -21.845 1.00 44.20 H new ATOM 0 HZ3 LYS A 32 0.861 -15.101 -22.097 1.00 44.20 H new ATOM 511 N HIS A 33 5.051 -15.452 -15.087 1.00 52.14 N ATOM 512 CA HIS A 33 5.479 -16.298 -13.978 1.00 10.11 C ATOM 513 C HIS A 33 5.628 -15.482 -12.698 1.00 33.42 C ATOM 514 O HIS A 33 5.378 -16.048 -11.633 1.00 1.45 O ATOM 515 CB HIS A 33 6.804 -16.984 -14.315 1.00 54.35 C ATOM 516 CG HIS A 33 6.831 -17.596 -15.682 1.00 52.31 C ATOM 517 ND1 HIS A 33 7.691 -17.179 -16.676 1.00 14.11 N ATOM 518 CD2 HIS A 33 6.097 -18.599 -16.218 1.00 51.53 C ATOM 519 CE1 HIS A 33 7.485 -17.899 -17.764 1.00 14.41 C ATOM 520 NE2 HIS A 33 6.523 -18.769 -17.512 1.00 41.22 N ATOM 0 H HIS A 33 5.805 -15.154 -15.706 1.00 52.14 H new ATOM 0 HA HIS A 33 4.714 -17.058 -13.817 1.00 10.11 H new ATOM 0 HB2 HIS A 33 7.611 -16.256 -14.236 1.00 54.35 H new ATOM 0 HB3 HIS A 33 7.001 -17.760 -13.575 1.00 54.35 H new ATOM 0 HD2 HIS A 33 5.321 -19.161 -15.720 1.00 51.53 H new ATOM 0 HE1 HIS A 33 8.013 -17.794 -18.700 1.00 14.41 H new ATOM 0 HE2 HIS A 33 6.156 -19.455 -18.172 1.00 41.22 H new ATOM 528 N ILE A 34 6.012 -14.212 -12.769 1.00 51.01 N ATOM 529 CA ILE A 34 6.167 -13.392 -11.573 1.00 52.35 C ATOM 530 C ILE A 34 4.812 -13.062 -10.954 1.00 2.40 C ATOM 531 O ILE A 34 4.669 -13.025 -9.733 1.00 70.43 O ATOM 532 CB ILE A 34 6.911 -12.080 -11.882 1.00 0.52 C ATOM 533 CG1 ILE A 34 8.290 -12.377 -12.473 1.00 4.10 C ATOM 534 CG2 ILE A 34 7.039 -11.235 -10.623 1.00 74.40 C ATOM 535 CD1 ILE A 34 8.899 -11.204 -13.208 1.00 71.32 C ATOM 0 H ILE A 34 6.222 -13.728 -13.642 1.00 51.01 H new ATOM 0 HA ILE A 34 6.756 -13.975 -10.865 1.00 52.35 H new ATOM 0 HB ILE A 34 6.335 -11.517 -12.617 1.00 0.52 H new ATOM 0 HG12 ILE A 34 8.962 -12.681 -11.671 1.00 4.10 H new ATOM 0 HG13 ILE A 34 8.209 -13.221 -13.158 1.00 4.10 H new ATOM 0 HG21 ILE A 34 7.567 -10.311 -10.857 1.00 74.40 H new ATOM 0 HG22 ILE A 34 6.046 -10.999 -10.241 1.00 74.40 H new ATOM 0 HG23 ILE A 34 7.596 -11.790 -9.868 1.00 74.40 H new ATOM 0 HD11 ILE A 34 9.876 -11.488 -13.600 1.00 71.32 H new ATOM 0 HD12 ILE A 34 8.248 -10.913 -14.032 1.00 71.32 H new ATOM 0 HD13 ILE A 34 9.013 -10.364 -12.522 1.00 71.32 H new ATOM 547 N VAL A 35 3.820 -12.826 -11.807 1.00 21.34 N ATOM 548 CA VAL A 35 2.476 -12.502 -11.344 1.00 20.14 C ATOM 549 C VAL A 35 1.777 -13.734 -10.780 1.00 24.12 C ATOM 550 O VAL A 35 1.192 -13.687 -9.698 1.00 11.12 O ATOM 551 CB VAL A 35 1.619 -11.914 -12.481 1.00 34.03 C ATOM 552 CG1 VAL A 35 0.211 -11.612 -11.987 1.00 51.34 C ATOM 553 CG2 VAL A 35 2.272 -10.664 -13.049 1.00 60.32 C ATOM 0 H VAL A 35 3.922 -12.853 -12.822 1.00 21.34 H new ATOM 0 HA VAL A 35 2.583 -11.757 -10.556 1.00 20.14 H new ATOM 0 HB VAL A 35 1.548 -12.654 -13.279 1.00 34.03 H new ATOM 0 HG11 VAL A 35 -0.380 -11.197 -12.804 1.00 51.34 H new ATOM 0 HG12 VAL A 35 -0.255 -12.531 -11.632 1.00 51.34 H new ATOM 0 HG13 VAL A 35 0.259 -10.891 -11.171 1.00 51.34 H new ATOM 0 HG21 VAL A 35 1.653 -10.262 -13.851 1.00 60.32 H new ATOM 0 HG22 VAL A 35 2.375 -9.917 -12.262 1.00 60.32 H new ATOM 0 HG23 VAL A 35 3.257 -10.915 -13.442 1.00 60.32 H new ATOM 563 N TRP A 36 1.843 -14.835 -11.520 1.00 31.50 N ATOM 564 CA TRP A 36 1.216 -16.081 -11.093 1.00 23.21 C ATOM 565 C TRP A 36 1.702 -16.486 -9.706 1.00 54.10 C ATOM 566 O TRP A 36 0.982 -17.144 -8.954 1.00 64.41 O ATOM 567 CB TRP A 36 1.514 -17.196 -12.097 1.00 5.13 C ATOM 568 CG TRP A 36 1.049 -18.546 -11.641 1.00 74.20 C ATOM 569 CD1 TRP A 36 -0.195 -19.083 -11.809 1.00 72.23 C ATOM 570 CD2 TRP A 36 1.821 -19.527 -10.941 1.00 72.01 C ATOM 571 NE1 TRP A 36 -0.243 -20.340 -11.255 1.00 60.51 N ATOM 572 CE2 TRP A 36 0.982 -20.635 -10.717 1.00 13.45 C ATOM 573 CE3 TRP A 36 3.140 -19.578 -10.483 1.00 23.03 C ATOM 574 CZ2 TRP A 36 1.420 -21.779 -10.055 1.00 51.41 C ATOM 575 CZ3 TRP A 36 3.574 -20.713 -9.826 1.00 54.40 C ATOM 576 CH2 TRP A 36 2.717 -21.802 -9.618 1.00 14.41 C ATOM 0 H TRP A 36 2.324 -14.891 -12.418 1.00 31.50 H new ATOM 0 HA TRP A 36 0.139 -15.921 -11.048 1.00 23.21 H new ATOM 0 HB2 TRP A 36 1.036 -16.957 -13.047 1.00 5.13 H new ATOM 0 HB3 TRP A 36 2.588 -17.232 -12.281 1.00 5.13 H new ATOM 0 HD1 TRP A 36 -1.020 -18.592 -12.304 1.00 72.23 H new ATOM 0 HE1 TRP A 36 -1.058 -20.953 -11.246 1.00 60.51 H new ATOM 0 HE3 TRP A 36 3.809 -18.745 -10.640 1.00 23.03 H new ATOM 0 HZ2 TRP A 36 0.760 -22.618 -9.892 1.00 51.41 H new ATOM 0 HZ3 TRP A 36 4.591 -20.762 -9.466 1.00 54.40 H new ATOM 0 HH2 TRP A 36 3.087 -22.676 -9.103 1.00 14.41 H new ATOM 587 N ALA A 37 2.926 -16.091 -9.373 1.00 51.14 N ATOM 588 CA ALA A 37 3.506 -16.411 -8.074 1.00 41.32 C ATOM 589 C ALA A 37 3.057 -15.415 -7.011 1.00 11.51 C ATOM 590 O ALA A 37 3.033 -15.730 -5.821 1.00 44.31 O ATOM 591 CB ALA A 37 5.024 -16.439 -8.166 1.00 3.30 C ATOM 0 H ALA A 37 3.536 -15.549 -9.985 1.00 51.14 H new ATOM 0 HA ALA A 37 3.152 -17.399 -7.780 1.00 41.32 H new ATOM 0 HB1 ALA A 37 5.443 -16.679 -7.189 1.00 3.30 H new ATOM 0 HB2 ALA A 37 5.331 -17.195 -8.888 1.00 3.30 H new ATOM 0 HB3 ALA A 37 5.387 -15.463 -8.487 1.00 3.30 H new ATOM 597 N SER A 38 2.701 -14.211 -7.448 1.00 70.32 N ATOM 598 CA SER A 38 2.257 -13.167 -6.532 1.00 31.52 C ATOM 599 C SER A 38 0.836 -13.437 -6.047 1.00 13.33 C ATOM 600 O SER A 38 0.531 -13.280 -4.864 1.00 2.53 O ATOM 601 CB SER A 38 2.322 -11.799 -7.215 1.00 64.33 C ATOM 602 OG SER A 38 3.611 -11.560 -7.755 1.00 14.21 O ATOM 0 H SER A 38 2.711 -13.935 -8.430 1.00 70.32 H new ATOM 0 HA SER A 38 2.923 -13.168 -5.669 1.00 31.52 H new ATOM 0 HB2 SER A 38 1.577 -11.749 -8.009 1.00 64.33 H new ATOM 0 HB3 SER A 38 2.075 -11.018 -6.496 1.00 64.33 H new ATOM 0 HG SER A 38 3.776 -12.181 -8.495 1.00 14.21 H new ATOM 608 N ARG A 39 -0.030 -13.846 -6.969 1.00 12.11 N ATOM 609 CA ARG A 39 -1.419 -14.138 -6.637 1.00 15.24 C ATOM 610 C ARG A 39 -1.526 -15.436 -5.842 1.00 34.34 C ATOM 611 O ARG A 39 -2.469 -15.628 -5.075 1.00 60.24 O ATOM 612 CB ARG A 39 -2.260 -14.236 -7.911 1.00 15.44 C ATOM 613 CG ARG A 39 -3.403 -13.235 -7.965 1.00 30.03 C ATOM 614 CD ARG A 39 -2.903 -11.838 -8.297 1.00 72.30 C ATOM 615 NE ARG A 39 -2.860 -10.977 -7.117 1.00 42.44 N ATOM 616 CZ ARG A 39 -3.942 -10.473 -6.535 1.00 15.52 C ATOM 617 NH1 ARG A 39 -5.147 -10.743 -7.021 1.00 24.12 N1+ ATOM 618 NH2 ARG A 39 -3.822 -9.699 -5.465 1.00 62.14 N ATOM 0 H ARG A 39 0.206 -13.983 -7.952 1.00 12.11 H new ATOM 0 HA ARG A 39 -1.799 -13.323 -6.021 1.00 15.24 H new ATOM 0 HB2 ARG A 39 -1.614 -14.084 -8.775 1.00 15.44 H new ATOM 0 HB3 ARG A 39 -2.667 -15.244 -7.991 1.00 15.44 H new ATOM 0 HG2 ARG A 39 -4.130 -13.550 -8.714 1.00 30.03 H new ATOM 0 HG3 ARG A 39 -3.920 -13.219 -7.006 1.00 30.03 H new ATOM 0 HD2 ARG A 39 -1.907 -11.904 -8.734 1.00 72.30 H new ATOM 0 HD3 ARG A 39 -3.552 -11.390 -9.049 1.00 72.30 H new ATOM 0 HE ARG A 39 -1.949 -10.751 -6.718 1.00 42.44 H new ATOM 0 HH11 ARG A 39 -5.244 -11.339 -7.843 1.00 24.12 H new ATOM 0 HH12 ARG A 39 -5.977 -10.355 -6.572 1.00 24.12 H new ATOM 0 HH21 ARG A 39 -2.898 -9.490 -5.088 1.00 62.14 H new ATOM 0 HH22 ARG A 39 -4.654 -9.313 -5.019 1.00 62.14 H new ATOM 632 N GLU A 40 -0.555 -16.323 -6.032 1.00 21.43 N ATOM 633 CA GLU A 40 -0.543 -17.603 -5.335 1.00 64.15 C ATOM 634 C GLU A 40 0.090 -17.462 -3.952 1.00 42.31 C ATOM 635 O GLU A 40 -0.204 -18.237 -3.040 1.00 34.54 O ATOM 636 CB GLU A 40 0.220 -18.648 -6.152 1.00 31.33 C ATOM 637 CG GLU A 40 -0.262 -20.070 -5.921 1.00 41.44 C ATOM 638 CD GLU A 40 -1.580 -20.359 -6.612 1.00 11.42 C ATOM 639 OE1 GLU A 40 -1.637 -20.239 -7.854 1.00 41.12 O ATOM 640 OE2 GLU A 40 -2.554 -20.707 -5.913 1.00 73.42 O1- ATOM 0 H GLU A 40 0.233 -16.179 -6.663 1.00 21.43 H new ATOM 0 HA GLU A 40 -1.575 -17.931 -5.213 1.00 64.15 H new ATOM 0 HB2 GLU A 40 0.126 -18.409 -7.211 1.00 31.33 H new ATOM 0 HB3 GLU A 40 1.280 -18.588 -5.905 1.00 31.33 H new ATOM 0 HG2 GLU A 40 0.493 -20.769 -6.281 1.00 41.44 H new ATOM 0 HG3 GLU A 40 -0.372 -20.243 -4.850 1.00 41.44 H new ATOM 647 N LEU A 41 0.960 -16.470 -3.805 1.00 64.23 N ATOM 648 CA LEU A 41 1.636 -16.227 -2.535 1.00 72.02 C ATOM 649 C LEU A 41 0.657 -15.702 -1.489 1.00 14.31 C ATOM 650 O LEU A 41 0.604 -16.206 -0.368 1.00 54.35 O ATOM 651 CB LEU A 41 2.779 -15.228 -2.726 1.00 1.03 C ATOM 652 CG LEU A 41 4.176 -15.829 -2.883 1.00 53.00 C ATOM 653 CD1 LEU A 41 5.206 -14.733 -3.107 1.00 44.13 C ATOM 654 CD2 LEU A 41 4.538 -16.663 -1.663 1.00 44.33 C ATOM 0 H LEU A 41 1.214 -15.820 -4.549 1.00 64.23 H new ATOM 0 HA LEU A 41 2.044 -17.174 -2.182 1.00 72.02 H new ATOM 0 HB2 LEU A 41 2.564 -14.624 -3.608 1.00 1.03 H new ATOM 0 HB3 LEU A 41 2.790 -14.551 -1.871 1.00 1.03 H new ATOM 0 HG LEU A 41 4.174 -16.481 -3.756 1.00 53.00 H new ATOM 0 HD11 LEU A 41 6.194 -15.179 -3.217 1.00 44.13 H new ATOM 0 HD12 LEU A 41 4.956 -14.178 -4.011 1.00 44.13 H new ATOM 0 HD13 LEU A 41 5.207 -14.055 -2.254 1.00 44.13 H new ATOM 0 HD21 LEU A 41 5.536 -17.083 -1.792 1.00 44.33 H new ATOM 0 HD22 LEU A 41 4.522 -16.033 -0.774 1.00 44.33 H new ATOM 0 HD23 LEU A 41 3.816 -17.472 -1.548 1.00 44.33 H new ATOM 666 N GLU A 42 -0.118 -14.690 -1.866 1.00 63.44 N ATOM 667 CA GLU A 42 -1.096 -14.099 -0.960 1.00 44.23 C ATOM 668 C GLU A 42 -2.056 -15.160 -0.430 1.00 43.14 C ATOM 669 O GLU A 42 -2.625 -15.012 0.653 1.00 5.35 O ATOM 670 CB GLU A 42 -1.880 -12.994 -1.671 1.00 51.44 C ATOM 671 CG GLU A 42 -1.803 -11.647 -0.972 1.00 41.21 C ATOM 672 CD GLU A 42 -2.934 -11.437 0.016 1.00 22.43 C ATOM 673 OE1 GLU A 42 -4.096 -11.325 -0.427 1.00 31.35 O1- ATOM 674 OE2 GLU A 42 -2.657 -11.383 1.232 1.00 40.45 O ATOM 0 H GLU A 42 -0.088 -14.263 -2.792 1.00 63.44 H new ATOM 0 HA GLU A 42 -0.558 -13.667 -0.116 1.00 44.23 H new ATOM 0 HB2 GLU A 42 -1.502 -12.888 -2.688 1.00 51.44 H new ATOM 0 HB3 GLU A 42 -2.925 -13.294 -1.749 1.00 51.44 H new ATOM 0 HG2 GLU A 42 -0.850 -11.567 -0.450 1.00 41.21 H new ATOM 0 HG3 GLU A 42 -1.825 -10.853 -1.718 1.00 41.21 H new ATOM 681 N ARG A 43 -2.231 -16.229 -1.200 1.00 71.02 N ATOM 682 CA ARG A 43 -3.123 -17.314 -0.809 1.00 70.31 C ATOM 683 C ARG A 43 -2.519 -18.132 0.329 1.00 10.31 C ATOM 684 O ARG A 43 -3.239 -18.745 1.117 1.00 71.31 O ATOM 685 CB ARG A 43 -3.412 -18.221 -2.007 1.00 51.13 C ATOM 686 CG ARG A 43 -4.842 -18.125 -2.513 1.00 64.52 C ATOM 687 CD ARG A 43 -5.119 -19.152 -3.599 1.00 43.24 C ATOM 688 NE ARG A 43 -5.743 -20.360 -3.064 1.00 21.41 N ATOM 689 CZ ARG A 43 -6.183 -21.357 -3.823 1.00 55.04 C ATOM 690 NH1 ARG A 43 -6.069 -21.292 -5.142 1.00 52.23 N1+ ATOM 691 NH2 ARG A 43 -6.740 -22.423 -3.261 1.00 34.13 N ATOM 0 H ARG A 43 -1.767 -16.367 -2.098 1.00 71.02 H new ATOM 0 HA ARG A 43 -4.058 -16.875 -0.460 1.00 70.31 H new ATOM 0 HB2 ARG A 43 -2.731 -17.965 -2.818 1.00 51.13 H new ATOM 0 HB3 ARG A 43 -3.203 -19.254 -1.729 1.00 51.13 H new ATOM 0 HG2 ARG A 43 -5.533 -18.275 -1.684 1.00 64.52 H new ATOM 0 HG3 ARG A 43 -5.025 -17.124 -2.903 1.00 64.52 H new ATOM 0 HD2 ARG A 43 -5.769 -18.713 -4.356 1.00 43.24 H new ATOM 0 HD3 ARG A 43 -4.185 -19.416 -4.095 1.00 43.24 H new ATOM 0 HE ARG A 43 -5.846 -20.442 -2.053 1.00 21.41 H new ATOM 0 HH11 ARG A 43 -5.642 -20.474 -5.577 1.00 52.23 H new ATOM 0 HH12 ARG A 43 -6.408 -22.060 -5.722 1.00 52.23 H new ATOM 0 HH21 ARG A 43 -6.830 -22.476 -2.246 1.00 34.13 H new ATOM 0 HH22 ARG A 43 -7.078 -23.189 -3.844 1.00 34.13 H new ATOM 705 N PHE A 44 -1.193 -18.137 0.407 1.00 52.51 N ATOM 706 CA PHE A 44 -0.491 -18.881 1.447 1.00 23.52 C ATOM 707 C PHE A 44 -0.145 -17.974 2.624 1.00 23.21 C ATOM 708 O PHE A 44 0.835 -18.206 3.333 1.00 35.10 O ATOM 709 CB PHE A 44 0.784 -19.511 0.882 1.00 34.23 C ATOM 710 CG PHE A 44 0.527 -20.481 -0.237 1.00 62.14 C ATOM 711 CD1 PHE A 44 -0.318 -21.563 -0.052 1.00 1.32 C ATOM 712 CD2 PHE A 44 1.132 -20.310 -1.471 1.00 12.44 C ATOM 713 CE1 PHE A 44 -0.556 -22.458 -1.079 1.00 22.54 C ATOM 714 CE2 PHE A 44 0.897 -21.200 -2.502 1.00 40.21 C ATOM 715 CZ PHE A 44 0.053 -22.276 -2.306 1.00 50.45 C ATOM 0 H PHE A 44 -0.582 -17.634 -0.237 1.00 52.51 H new ATOM 0 HA PHE A 44 -1.152 -19.672 1.802 1.00 23.52 H new ATOM 0 HB2 PHE A 44 1.443 -18.720 0.523 1.00 34.23 H new ATOM 0 HB3 PHE A 44 1.312 -20.026 1.685 1.00 34.23 H new ATOM 0 HD1 PHE A 44 -0.796 -21.709 0.905 1.00 1.32 H new ATOM 0 HD2 PHE A 44 1.795 -19.472 -1.629 1.00 12.44 H new ATOM 0 HE1 PHE A 44 -1.217 -23.298 -0.922 1.00 22.54 H new ATOM 0 HE2 PHE A 44 1.373 -21.054 -3.460 1.00 40.21 H new ATOM 0 HZ PHE A 44 -0.130 -22.973 -3.110 1.00 50.45 H new ATOM 725 N ALA A 45 -0.955 -16.940 2.825 1.00 60.35 N ATOM 726 CA ALA A 45 -0.736 -16.000 3.917 1.00 64.31 C ATOM 727 C ALA A 45 0.579 -15.247 3.738 1.00 10.22 C ATOM 728 O ALA A 45 1.130 -14.703 4.695 1.00 13.20 O ATOM 729 CB ALA A 45 -0.751 -16.727 5.254 1.00 1.53 C ATOM 0 H ALA A 45 -1.769 -16.732 2.246 1.00 60.35 H new ATOM 0 HA ALA A 45 -1.547 -15.272 3.903 1.00 64.31 H new ATOM 0 HB1 ALA A 45 -0.586 -16.011 6.059 1.00 1.53 H new ATOM 0 HB2 ALA A 45 -1.717 -17.213 5.393 1.00 1.53 H new ATOM 0 HB3 ALA A 45 0.039 -17.478 5.269 1.00 1.53 H new ATOM 735 N VAL A 46 1.077 -15.220 2.505 1.00 53.41 N ATOM 736 CA VAL A 46 2.327 -14.535 2.200 1.00 21.21 C ATOM 737 C VAL A 46 2.103 -13.401 1.207 1.00 60.43 C ATOM 738 O VAL A 46 1.733 -13.633 0.057 1.00 21.15 O ATOM 739 CB VAL A 46 3.375 -15.506 1.626 1.00 34.05 C ATOM 740 CG1 VAL A 46 4.656 -14.764 1.276 1.00 10.34 C ATOM 741 CG2 VAL A 46 3.652 -16.633 2.609 1.00 70.01 C ATOM 0 H VAL A 46 0.633 -15.665 1.702 1.00 53.41 H new ATOM 0 HA VAL A 46 2.700 -14.125 3.138 1.00 21.21 H new ATOM 0 HB VAL A 46 2.976 -15.944 0.711 1.00 34.05 H new ATOM 0 HG11 VAL A 46 5.385 -15.467 0.872 1.00 10.34 H new ATOM 0 HG12 VAL A 46 4.441 -13.997 0.532 1.00 10.34 H new ATOM 0 HG13 VAL A 46 5.062 -14.296 2.173 1.00 10.34 H new ATOM 0 HG21 VAL A 46 4.395 -17.310 2.187 1.00 70.01 H new ATOM 0 HG22 VAL A 46 4.030 -16.217 3.543 1.00 70.01 H new ATOM 0 HG23 VAL A 46 2.730 -17.182 2.803 1.00 70.01 H new ATOM 751 N ASN A 47 2.330 -12.172 1.660 1.00 23.33 N ATOM 752 CA ASN A 47 2.153 -10.999 0.810 1.00 40.22 C ATOM 753 C ASN A 47 3.099 -11.046 -0.386 1.00 54.21 C ATOM 754 O ASN A 47 4.235 -11.513 -0.293 1.00 21.52 O ATOM 755 CB ASN A 47 2.392 -9.720 1.614 1.00 60.30 C ATOM 756 CG ASN A 47 1.245 -9.405 2.554 1.00 64.30 C ATOM 757 OD1 ASN A 47 0.082 -9.653 2.237 1.00 70.24 O ATOM 758 ND2 ASN A 47 1.569 -8.854 3.718 1.00 71.23 N ATOM 0 H ASN A 47 2.637 -11.962 2.610 1.00 23.33 H new ATOM 0 HA ASN A 47 1.128 -11.001 0.440 1.00 40.22 H new ATOM 0 HB2 ASN A 47 3.312 -9.823 2.189 1.00 60.30 H new ATOM 0 HB3 ASN A 47 2.536 -8.885 0.929 1.00 60.30 H new ATOM 0 HD21 ASN A 47 0.840 -8.619 4.391 1.00 71.23 H new ATOM 0 HD22 ASN A 47 2.547 -8.666 3.939 1.00 71.23 H new ATOM 765 N PRO A 48 2.622 -10.551 -1.538 1.00 21.11 N ATOM 766 CA PRO A 48 3.409 -10.524 -2.774 1.00 14.31 C ATOM 767 C PRO A 48 4.559 -9.524 -2.707 1.00 50.34 C ATOM 768 O PRO A 48 5.438 -9.517 -3.567 1.00 4.33 O ATOM 769 CB PRO A 48 2.390 -10.097 -3.834 1.00 40.21 C ATOM 770 CG PRO A 48 1.355 -9.337 -3.079 1.00 14.03 C ATOM 771 CD PRO A 48 1.277 -9.980 -1.721 1.00 22.53 C ATOM 0 HA PRO A 48 3.880 -11.485 -2.979 1.00 14.31 H new ATOM 0 HB2 PRO A 48 2.854 -9.478 -4.602 1.00 40.21 H new ATOM 0 HB3 PRO A 48 1.958 -10.961 -4.338 1.00 40.21 H new ATOM 0 HG2 PRO A 48 1.626 -8.284 -2.997 1.00 14.03 H new ATOM 0 HG3 PRO A 48 0.392 -9.380 -3.587 1.00 14.03 H new ATOM 0 HD2 PRO A 48 1.040 -9.253 -0.945 1.00 22.53 H new ATOM 0 HD3 PRO A 48 0.505 -10.749 -1.684 1.00 22.53 H new ATOM 779 N GLY A 49 4.546 -8.683 -1.679 1.00 64.22 N ATOM 780 CA GLY A 49 5.594 -7.691 -1.519 1.00 63.52 C ATOM 781 C GLY A 49 6.939 -8.315 -1.204 1.00 25.35 C ATOM 782 O GLY A 49 7.977 -7.659 -1.314 1.00 33.44 O ATOM 0 H GLY A 49 3.829 -8.670 -0.954 1.00 64.22 H new ATOM 0 HA2 GLY A 49 5.675 -7.102 -2.433 1.00 63.52 H new ATOM 0 HA3 GLY A 49 5.320 -7.003 -0.719 1.00 63.52 H new ATOM 786 N LEU A 50 6.924 -9.583 -0.812 1.00 1.31 N ATOM 787 CA LEU A 50 8.153 -10.295 -0.479 1.00 14.32 C ATOM 788 C LEU A 50 8.910 -10.695 -1.742 1.00 32.21 C ATOM 789 O LEU A 50 10.126 -10.888 -1.716 1.00 44.25 O ATOM 790 CB LEU A 50 7.835 -11.538 0.353 1.00 42.55 C ATOM 791 CG LEU A 50 6.964 -11.313 1.590 1.00 2.52 C ATOM 792 CD1 LEU A 50 6.768 -12.616 2.349 1.00 5.21 C ATOM 793 CD2 LEU A 50 7.583 -10.256 2.492 1.00 30.31 C ATOM 0 H LEU A 50 6.075 -10.140 -0.717 1.00 1.31 H new ATOM 0 HA LEU A 50 8.785 -9.626 0.105 1.00 14.32 H new ATOM 0 HB2 LEU A 50 7.337 -12.264 -0.290 1.00 42.55 H new ATOM 0 HB3 LEU A 50 8.775 -11.987 0.672 1.00 42.55 H new ATOM 0 HG LEU A 50 5.987 -10.957 1.263 1.00 2.52 H new ATOM 0 HD11 LEU A 50 6.146 -12.436 3.226 1.00 5.21 H new ATOM 0 HD12 LEU A 50 6.280 -13.345 1.701 1.00 5.21 H new ATOM 0 HD13 LEU A 50 7.737 -13.002 2.665 1.00 5.21 H new ATOM 0 HD21 LEU A 50 6.950 -10.109 3.367 1.00 30.31 H new ATOM 0 HD22 LEU A 50 8.572 -10.584 2.811 1.00 30.31 H new ATOM 0 HD23 LEU A 50 7.671 -9.317 1.945 1.00 30.31 H new ATOM 805 N LEU A 51 8.183 -10.816 -2.847 1.00 23.04 N ATOM 806 CA LEU A 51 8.786 -11.191 -4.122 1.00 24.53 C ATOM 807 C LEU A 51 9.764 -10.120 -4.597 1.00 44.24 C ATOM 808 O LEU A 51 10.694 -10.408 -5.349 1.00 25.31 O ATOM 809 CB LEU A 51 7.700 -11.409 -5.177 1.00 2.24 C ATOM 810 CG LEU A 51 6.789 -12.618 -4.963 1.00 44.53 C ATOM 811 CD1 LEU A 51 5.637 -12.600 -5.954 1.00 74.03 C ATOM 812 CD2 LEU A 51 7.582 -13.911 -5.087 1.00 43.44 C ATOM 0 H LEU A 51 7.176 -10.660 -2.886 1.00 23.04 H new ATOM 0 HA LEU A 51 9.336 -12.121 -3.977 1.00 24.53 H new ATOM 0 HB2 LEU A 51 7.079 -10.514 -5.220 1.00 2.24 H new ATOM 0 HB3 LEU A 51 8.182 -11.510 -6.150 1.00 2.24 H new ATOM 0 HG LEU A 51 6.375 -12.564 -3.956 1.00 44.53 H new ATOM 0 HD11 LEU A 51 4.999 -13.468 -5.786 1.00 74.03 H new ATOM 0 HD12 LEU A 51 5.054 -11.689 -5.817 1.00 74.03 H new ATOM 0 HD13 LEU A 51 6.031 -12.630 -6.970 1.00 74.03 H new ATOM 0 HD21 LEU A 51 6.918 -14.761 -4.932 1.00 43.44 H new ATOM 0 HD22 LEU A 51 8.024 -13.973 -6.081 1.00 43.44 H new ATOM 0 HD23 LEU A 51 8.373 -13.926 -4.337 1.00 43.44 H new ATOM 824 N GLU A 52 9.548 -8.887 -4.150 1.00 40.22 N ATOM 825 CA GLU A 52 10.412 -7.775 -4.528 1.00 3.52 C ATOM 826 C GLU A 52 11.463 -7.512 -3.453 1.00 35.35 C ATOM 827 O GLU A 52 11.997 -6.407 -3.348 1.00 53.41 O ATOM 828 CB GLU A 52 9.581 -6.513 -4.766 1.00 4.54 C ATOM 829 CG GLU A 52 8.872 -6.008 -3.521 1.00 13.02 C ATOM 830 CD GLU A 52 8.869 -4.494 -3.424 1.00 43.53 C ATOM 831 OE1 GLU A 52 9.966 -3.905 -3.314 1.00 73.32 O1- ATOM 832 OE2 GLU A 52 7.772 -3.900 -3.458 1.00 4.43 O ATOM 0 H GLU A 52 8.782 -8.633 -3.526 1.00 40.22 H new ATOM 0 HA GLU A 52 10.924 -8.043 -5.452 1.00 3.52 H new ATOM 0 HB2 GLU A 52 10.232 -5.726 -5.148 1.00 4.54 H new ATOM 0 HB3 GLU A 52 8.840 -6.717 -5.539 1.00 4.54 H new ATOM 0 HG2 GLU A 52 7.844 -6.370 -3.521 1.00 13.02 H new ATOM 0 HG3 GLU A 52 9.357 -6.424 -2.638 1.00 13.02 H new ATOM 839 N THR A 53 11.753 -8.535 -2.655 1.00 63.21 N ATOM 840 CA THR A 53 12.737 -8.415 -1.586 1.00 24.52 C ATOM 841 C THR A 53 13.665 -9.624 -1.554 1.00 21.43 C ATOM 842 O THR A 53 13.211 -10.763 -1.444 1.00 32.31 O ATOM 843 CB THR A 53 12.058 -8.266 -0.211 1.00 32.14 C ATOM 844 OG1 THR A 53 11.509 -9.522 0.201 1.00 62.35 O ATOM 845 CG2 THR A 53 10.957 -7.217 -0.263 1.00 41.22 C ATOM 0 H THR A 53 11.320 -9.456 -2.729 1.00 63.21 H new ATOM 0 HA THR A 53 13.321 -7.518 -1.793 1.00 24.52 H new ATOM 0 HB THR A 53 12.810 -7.945 0.510 1.00 32.14 H new ATOM 0 HG1 THR A 53 11.173 -10.005 -0.583 1.00 62.35 H new ATOM 0 HG21 THR A 53 10.492 -7.129 0.719 1.00 41.22 H new ATOM 0 HG22 THR A 53 11.383 -6.256 -0.550 1.00 41.22 H new ATOM 0 HG23 THR A 53 10.206 -7.514 -0.995 1.00 41.22 H new ATOM 853 N SER A 54 14.966 -9.368 -1.651 1.00 54.44 N ATOM 854 CA SER A 54 15.957 -10.438 -1.636 1.00 52.32 C ATOM 855 C SER A 54 15.838 -11.271 -0.363 1.00 40.21 C ATOM 856 O SER A 54 16.248 -12.431 -0.328 1.00 14.13 O ATOM 857 CB SER A 54 17.368 -9.855 -1.747 1.00 15.51 C ATOM 858 OG SER A 54 17.349 -8.593 -2.391 1.00 12.12 O ATOM 0 H SER A 54 15.358 -8.431 -1.741 1.00 54.44 H new ATOM 0 HA SER A 54 15.770 -11.086 -2.492 1.00 52.32 H new ATOM 0 HB2 SER A 54 17.802 -9.753 -0.752 1.00 15.51 H new ATOM 0 HB3 SER A 54 18.006 -10.541 -2.304 1.00 15.51 H new ATOM 0 HG SER A 54 17.974 -8.601 -3.145 1.00 12.12 H new ATOM 864 N GLU A 55 15.275 -10.670 0.681 1.00 10.14 N ATOM 865 CA GLU A 55 15.102 -11.357 1.955 1.00 62.31 C ATOM 866 C GLU A 55 13.831 -12.201 1.951 1.00 63.34 C ATOM 867 O GLU A 55 13.856 -13.379 2.304 1.00 34.23 O ATOM 868 CB GLU A 55 15.051 -10.344 3.102 1.00 2.31 C ATOM 869 CG GLU A 55 16.221 -9.374 3.109 1.00 41.05 C ATOM 870 CD GLU A 55 16.476 -8.778 4.480 1.00 54.34 C ATOM 871 OE1 GLU A 55 15.547 -8.158 5.040 1.00 22.43 O1- ATOM 872 OE2 GLU A 55 17.603 -8.933 4.994 1.00 41.02 O ATOM 0 H GLU A 55 14.931 -9.710 0.669 1.00 10.14 H new ATOM 0 HA GLU A 55 15.956 -12.019 2.101 1.00 62.31 H new ATOM 0 HB2 GLU A 55 14.121 -9.779 3.035 1.00 2.31 H new ATOM 0 HB3 GLU A 55 15.030 -10.882 4.050 1.00 2.31 H new ATOM 0 HG2 GLU A 55 17.119 -9.891 2.769 1.00 41.05 H new ATOM 0 HG3 GLU A 55 16.027 -8.571 2.398 1.00 41.05 H new ATOM 879 N GLY A 56 12.721 -11.588 1.550 1.00 5.13 N ATOM 880 CA GLY A 56 11.457 -12.298 1.508 1.00 11.24 C ATOM 881 C GLY A 56 11.535 -13.576 0.696 1.00 71.55 C ATOM 882 O GLY A 56 11.123 -14.639 1.161 1.00 10.44 O ATOM 0 H GLY A 56 12.675 -10.613 1.254 1.00 5.13 H new ATOM 0 HA2 GLY A 56 11.144 -12.536 2.525 1.00 11.24 H new ATOM 0 HA3 GLY A 56 10.693 -11.647 1.083 1.00 11.24 H new ATOM 886 N CYS A 57 12.063 -13.472 -0.518 1.00 0.01 N ATOM 887 CA CYS A 57 12.192 -14.629 -1.398 1.00 51.13 C ATOM 888 C CYS A 57 12.963 -15.751 -0.710 1.00 32.15 C ATOM 889 O CYS A 57 12.754 -16.929 -1.000 1.00 45.45 O ATOM 890 CB CYS A 57 12.894 -14.232 -2.696 1.00 4.23 C ATOM 891 SG CYS A 57 11.941 -13.100 -3.736 1.00 55.44 S ATOM 0 H CYS A 57 12.409 -12.599 -0.916 1.00 0.01 H new ATOM 0 HA CYS A 57 11.191 -14.991 -1.632 1.00 51.13 H new ATOM 0 HB2 CYS A 57 13.849 -13.767 -2.452 1.00 4.23 H new ATOM 0 HB3 CYS A 57 13.115 -15.134 -3.267 1.00 4.23 H new ATOM 0 HG CYS A 57 11.267 -12.282 -2.983 1.00 55.44 H new ATOM 897 N ARG A 58 13.855 -15.377 0.201 1.00 51.31 N ATOM 898 CA ARG A 58 14.659 -16.352 0.927 1.00 45.42 C ATOM 899 C ARG A 58 13.800 -17.144 1.909 1.00 21.34 C ATOM 900 O ARG A 58 13.981 -18.350 2.073 1.00 31.33 O ATOM 901 CB ARG A 58 15.794 -15.651 1.677 1.00 63.31 C ATOM 902 CG ARG A 58 16.854 -16.604 2.206 1.00 61.30 C ATOM 903 CD ARG A 58 17.056 -16.436 3.704 1.00 42.22 C ATOM 904 NE ARG A 58 17.990 -15.357 4.013 1.00 74.44 N ATOM 905 CZ ARG A 58 18.061 -14.765 5.201 1.00 73.40 C ATOM 906 NH1 ARG A 58 17.259 -15.148 6.185 1.00 60.53 N1+ ATOM 907 NH2 ARG A 58 18.937 -13.789 5.406 1.00 52.02 N ATOM 0 H ARG A 58 14.039 -14.406 0.454 1.00 51.31 H new ATOM 0 HA ARG A 58 15.084 -17.046 0.202 1.00 45.42 H new ATOM 0 HB2 ARG A 58 16.266 -14.929 1.011 1.00 63.31 H new ATOM 0 HB3 ARG A 58 15.374 -15.089 2.511 1.00 63.31 H new ATOM 0 HG2 ARG A 58 16.561 -17.632 1.990 1.00 61.30 H new ATOM 0 HG3 ARG A 58 17.796 -16.425 1.688 1.00 61.30 H new ATOM 0 HD2 ARG A 58 16.096 -16.231 4.178 1.00 42.22 H new ATOM 0 HD3 ARG A 58 17.428 -17.369 4.126 1.00 42.22 H new ATOM 0 HE ARG A 58 18.622 -15.040 3.278 1.00 74.44 H new ATOM 0 HH11 ARG A 58 16.586 -15.899 6.031 1.00 60.53 H new ATOM 0 HH12 ARG A 58 17.315 -14.692 7.096 1.00 60.53 H new ATOM 0 HH21 ARG A 58 19.556 -13.493 4.652 1.00 52.02 H new ATOM 0 HH22 ARG A 58 18.991 -13.335 6.318 1.00 52.02 H new ATOM 921 N GLN A 59 12.866 -16.456 2.557 1.00 73.03 N ATOM 922 CA GLN A 59 11.980 -17.095 3.523 1.00 20.44 C ATOM 923 C GLN A 59 10.939 -17.958 2.817 1.00 74.10 C ATOM 924 O GLN A 59 10.642 -19.071 3.255 1.00 32.12 O ATOM 925 CB GLN A 59 11.285 -16.040 4.385 1.00 52.51 C ATOM 926 CG GLN A 59 10.233 -16.615 5.321 1.00 4.50 C ATOM 927 CD GLN A 59 9.569 -15.553 6.174 1.00 54.33 C ATOM 928 OE1 GLN A 59 9.233 -14.472 5.691 1.00 70.02 O ATOM 929 NE2 GLN A 59 9.375 -15.857 7.452 1.00 73.14 N ATOM 0 H GLN A 59 12.703 -15.457 2.431 1.00 73.03 H new ATOM 0 HA GLN A 59 12.584 -17.737 4.164 1.00 20.44 H new ATOM 0 HB2 GLN A 59 12.035 -15.513 4.975 1.00 52.51 H new ATOM 0 HB3 GLN A 59 10.816 -15.302 3.734 1.00 52.51 H new ATOM 0 HG2 GLN A 59 9.474 -17.132 4.734 1.00 4.50 H new ATOM 0 HG3 GLN A 59 10.696 -17.359 5.969 1.00 4.50 H new ATOM 0 HE21 GLN A 59 9.669 -16.765 7.810 1.00 73.14 H new ATOM 0 HE22 GLN A 59 8.932 -15.182 8.075 1.00 73.14 H new ATOM 938 N ILE A 60 10.388 -17.439 1.725 1.00 63.31 N ATOM 939 CA ILE A 60 9.382 -18.163 0.960 1.00 55.50 C ATOM 940 C ILE A 60 9.891 -19.540 0.544 1.00 63.52 C ATOM 941 O ILE A 60 9.148 -20.521 0.568 1.00 42.55 O ATOM 942 CB ILE A 60 8.962 -17.382 -0.300 1.00 73.35 C ATOM 943 CG1 ILE A 60 8.419 -16.005 0.085 1.00 61.41 C ATOM 944 CG2 ILE A 60 7.923 -18.165 -1.087 1.00 14.14 C ATOM 945 CD1 ILE A 60 8.378 -15.027 -1.069 1.00 41.25 C ATOM 0 H ILE A 60 10.622 -16.519 1.351 1.00 63.31 H new ATOM 0 HA ILE A 60 8.516 -18.280 1.611 1.00 55.50 H new ATOM 0 HB ILE A 60 9.839 -17.243 -0.932 1.00 73.35 H new ATOM 0 HG12 ILE A 60 7.413 -16.120 0.489 1.00 61.41 H new ATOM 0 HG13 ILE A 60 9.037 -15.589 0.881 1.00 61.41 H new ATOM 0 HG21 ILE A 60 7.637 -17.600 -1.974 1.00 14.14 H new ATOM 0 HG22 ILE A 60 8.342 -19.125 -1.388 1.00 14.14 H new ATOM 0 HG23 ILE A 60 7.044 -18.332 -0.464 1.00 14.14 H new ATOM 0 HD11 ILE A 60 7.982 -14.072 -0.723 1.00 41.25 H new ATOM 0 HD12 ILE A 60 9.385 -14.882 -1.459 1.00 41.25 H new ATOM 0 HD13 ILE A 60 7.737 -15.421 -1.857 1.00 41.25 H new ATOM 957 N LEU A 61 11.163 -19.604 0.166 1.00 32.21 N ATOM 958 CA LEU A 61 11.774 -20.861 -0.253 1.00 31.22 C ATOM 959 C LEU A 61 11.939 -21.807 0.932 1.00 44.14 C ATOM 960 O LEU A 61 11.974 -23.025 0.766 1.00 55.42 O ATOM 961 CB LEU A 61 13.132 -20.597 -0.904 1.00 44.33 C ATOM 962 CG LEU A 61 13.118 -19.718 -2.155 1.00 24.00 C ATOM 963 CD1 LEU A 61 14.465 -19.038 -2.344 1.00 30.32 C ATOM 964 CD2 LEU A 61 12.757 -20.542 -3.383 1.00 60.22 C ATOM 0 H LEU A 61 11.791 -18.801 0.141 1.00 32.21 H new ATOM 0 HA LEU A 61 11.115 -21.333 -0.981 1.00 31.22 H new ATOM 0 HB2 LEU A 61 13.782 -20.131 -0.164 1.00 44.33 H new ATOM 0 HB3 LEU A 61 13.581 -21.556 -1.163 1.00 44.33 H new ATOM 0 HG LEU A 61 12.359 -18.946 -2.025 1.00 24.00 H new ATOM 0 HD11 LEU A 61 14.436 -18.417 -3.239 1.00 30.32 H new ATOM 0 HD12 LEU A 61 14.683 -18.415 -1.477 1.00 30.32 H new ATOM 0 HD13 LEU A 61 15.242 -19.794 -2.452 1.00 30.32 H new ATOM 0 HD21 LEU A 61 12.752 -19.900 -4.264 1.00 60.22 H new ATOM 0 HD22 LEU A 61 13.492 -21.336 -3.517 1.00 60.22 H new ATOM 0 HD23 LEU A 61 11.768 -20.981 -3.249 1.00 60.22 H new ATOM 976 N GLY A 62 12.040 -21.237 2.129 1.00 72.32 N ATOM 977 CA GLY A 62 12.199 -22.044 3.325 1.00 14.11 C ATOM 978 C GLY A 62 10.970 -22.877 3.628 1.00 73.24 C ATOM 979 O GLY A 62 11.046 -23.860 4.365 1.00 70.52 O ATOM 0 H GLY A 62 12.015 -20.230 2.292 1.00 72.32 H new ATOM 0 HA2 GLY A 62 13.060 -22.702 3.204 1.00 14.11 H new ATOM 0 HA3 GLY A 62 12.412 -21.393 4.173 1.00 14.11 H new ATOM 983 N GLN A 63 9.834 -22.483 3.062 1.00 21.41 N ATOM 984 CA GLN A 63 8.582 -23.200 3.279 1.00 24.02 C ATOM 985 C GLN A 63 8.354 -24.239 2.186 1.00 73.34 C ATOM 986 O GLN A 63 7.794 -25.307 2.438 1.00 0.24 O ATOM 987 CB GLN A 63 7.409 -22.219 3.321 1.00 20.30 C ATOM 988 CG GLN A 63 6.839 -22.012 4.715 1.00 13.52 C ATOM 989 CD GLN A 63 5.545 -21.223 4.705 1.00 22.13 C ATOM 990 OE1 GLN A 63 5.398 -20.260 3.952 1.00 35.04 O ATOM 991 NE2 GLN A 63 4.598 -21.626 5.544 1.00 41.04 N ATOM 0 H GLN A 63 9.754 -21.671 2.450 1.00 21.41 H new ATOM 0 HA GLN A 63 8.648 -23.716 4.237 1.00 24.02 H new ATOM 0 HB2 GLN A 63 7.736 -21.258 2.925 1.00 20.30 H new ATOM 0 HB3 GLN A 63 6.618 -22.582 2.664 1.00 20.30 H new ATOM 0 HG2 GLN A 63 6.665 -22.982 5.180 1.00 13.52 H new ATOM 0 HG3 GLN A 63 7.573 -21.491 5.330 1.00 13.52 H new ATOM 0 HE21 GLN A 63 4.762 -22.429 6.151 1.00 41.04 H new ATOM 0 HE22 GLN A 63 3.706 -21.132 5.582 1.00 41.04 H new ATOM 1000 N LEU A 64 8.789 -23.919 0.973 1.00 0.05 N ATOM 1001 CA LEU A 64 8.631 -24.824 -0.160 1.00 12.04 C ATOM 1002 C LEU A 64 9.741 -25.870 -0.180 1.00 41.13 C ATOM 1003 O LEU A 64 9.566 -26.966 -0.713 1.00 20.41 O ATOM 1004 CB LEU A 64 8.632 -24.038 -1.472 1.00 73.42 C ATOM 1005 CG LEU A 64 7.768 -22.776 -1.499 1.00 73.14 C ATOM 1006 CD1 LEU A 64 8.024 -21.980 -2.769 1.00 64.34 C ATOM 1007 CD2 LEU A 64 6.294 -23.136 -1.381 1.00 72.22 C ATOM 0 H LEU A 64 9.254 -23.039 0.748 1.00 0.05 H new ATOM 0 HA LEU A 64 7.675 -25.337 -0.052 1.00 12.04 H new ATOM 0 HB2 LEU A 64 9.659 -23.756 -1.703 1.00 73.42 H new ATOM 0 HB3 LEU A 64 8.297 -24.701 -2.270 1.00 73.42 H new ATOM 0 HG LEU A 64 8.040 -22.155 -0.645 1.00 73.14 H new ATOM 0 HD11 LEU A 64 7.400 -21.086 -2.770 1.00 64.34 H new ATOM 0 HD12 LEU A 64 9.074 -21.690 -2.811 1.00 64.34 H new ATOM 0 HD13 LEU A 64 7.782 -22.593 -3.637 1.00 64.34 H new ATOM 0 HD21 LEU A 64 5.694 -22.226 -1.402 1.00 72.22 H new ATOM 0 HD22 LEU A 64 6.008 -23.778 -2.214 1.00 72.22 H new ATOM 0 HD23 LEU A 64 6.122 -23.662 -0.442 1.00 72.22 H new ATOM 1019 N GLN A 65 10.883 -25.524 0.405 1.00 61.52 N ATOM 1020 CA GLN A 65 12.021 -26.433 0.455 1.00 44.40 C ATOM 1021 C GLN A 65 11.609 -27.791 1.013 1.00 43.40 C ATOM 1022 O GLN A 65 11.706 -28.820 0.344 1.00 11.21 O ATOM 1023 CB GLN A 65 13.141 -25.836 1.310 1.00 42.32 C ATOM 1024 CG GLN A 65 14.396 -25.502 0.520 1.00 64.43 C ATOM 1025 CD GLN A 65 15.595 -25.243 1.413 1.00 2.44 C ATOM 1026 OE1 GLN A 65 15.868 -26.005 2.341 1.00 71.54 O ATOM 1027 NE2 GLN A 65 16.319 -24.166 1.134 1.00 73.42 N ATOM 0 H GLN A 65 11.044 -24.621 0.851 1.00 61.52 H new ATOM 0 HA GLN A 65 12.386 -26.574 -0.562 1.00 44.40 H new ATOM 0 HB2 GLN A 65 12.774 -24.931 1.794 1.00 42.32 H new ATOM 0 HB3 GLN A 65 13.397 -26.540 2.102 1.00 42.32 H new ATOM 0 HG2 GLN A 65 14.624 -26.324 -0.158 1.00 64.43 H new ATOM 0 HG3 GLN A 65 14.210 -24.622 -0.096 1.00 64.43 H new ATOM 0 HE21 GLN A 65 16.056 -23.562 0.355 1.00 73.42 H new ATOM 0 HE22 GLN A 65 17.139 -23.942 1.698 1.00 73.42 H new ATOM 1036 N PRO A 66 11.138 -27.798 2.269 1.00 61.42 N ATOM 1037 CA PRO A 66 10.701 -29.023 2.944 1.00 64.11 C ATOM 1038 C PRO A 66 9.412 -29.583 2.354 1.00 31.33 C ATOM 1039 O PRO A 66 9.067 -30.743 2.579 1.00 33.41 O ATOM 1040 CB PRO A 66 10.475 -28.570 4.389 1.00 12.13 C ATOM 1041 CG PRO A 66 10.186 -27.113 4.288 1.00 34.01 C ATOM 1042 CD PRO A 66 10.995 -26.609 3.125 1.00 51.14 C ATOM 0 HA PRO A 66 11.431 -29.826 2.843 1.00 64.11 H new ATOM 0 HB2 PRO A 66 9.645 -29.107 4.847 1.00 12.13 H new ATOM 0 HB3 PRO A 66 11.355 -28.757 5.005 1.00 12.13 H new ATOM 0 HG2 PRO A 66 9.122 -26.936 4.129 1.00 34.01 H new ATOM 0 HG3 PRO A 66 10.461 -26.596 5.207 1.00 34.01 H new ATOM 0 HD2 PRO A 66 10.487 -25.797 2.604 1.00 51.14 H new ATOM 0 HD3 PRO A 66 11.964 -26.225 3.445 1.00 51.14 H new ATOM 1050 N SER A 67 8.704 -28.751 1.596 1.00 74.00 N ATOM 1051 CA SER A 67 7.449 -29.162 0.975 1.00 64.00 C ATOM 1052 C SER A 67 7.646 -29.440 -0.512 1.00 32.13 C ATOM 1053 O SER A 67 6.710 -29.322 -1.306 1.00 62.14 O ATOM 1054 CB SER A 67 6.383 -28.082 1.168 1.00 34.12 C ATOM 1055 OG SER A 67 6.050 -27.933 2.537 1.00 63.02 O ATOM 0 H SER A 67 8.978 -27.789 1.397 1.00 74.00 H new ATOM 0 HA SER A 67 7.116 -30.081 1.458 1.00 64.00 H new ATOM 0 HB2 SER A 67 6.747 -27.133 0.774 1.00 34.12 H new ATOM 0 HB3 SER A 67 5.490 -28.342 0.600 1.00 34.12 H new ATOM 0 HG SER A 67 6.458 -27.113 2.885 1.00 63.02 H new ATOM 1061 N LEU A 68 8.867 -29.808 -0.883 1.00 74.02 N ATOM 1062 CA LEU A 68 9.187 -30.104 -2.275 1.00 64.45 C ATOM 1063 C LEU A 68 8.724 -31.506 -2.655 1.00 73.31 C ATOM 1064 O LEU A 68 8.202 -31.722 -3.748 1.00 23.23 O ATOM 1065 CB LEU A 68 10.693 -29.969 -2.512 1.00 55.41 C ATOM 1066 CG LEU A 68 11.168 -28.624 -3.059 1.00 63.22 C ATOM 1067 CD1 LEU A 68 12.653 -28.433 -2.788 1.00 23.12 C ATOM 1068 CD2 LEU A 68 10.878 -28.520 -4.549 1.00 50.12 C ATOM 0 H LEU A 68 9.652 -29.909 -0.239 1.00 74.02 H new ATOM 0 HA LEU A 68 8.660 -29.386 -2.904 1.00 64.45 H new ATOM 0 HB2 LEU A 68 11.207 -30.157 -1.569 1.00 55.41 H new ATOM 0 HB3 LEU A 68 11.003 -30.751 -3.206 1.00 55.41 H new ATOM 0 HG LEU A 68 10.621 -27.832 -2.548 1.00 63.22 H new ATOM 0 HD11 LEU A 68 12.974 -27.470 -3.184 1.00 23.12 H new ATOM 0 HD12 LEU A 68 12.833 -28.462 -1.713 1.00 23.12 H new ATOM 0 HD13 LEU A 68 13.217 -29.231 -3.272 1.00 23.12 H new ATOM 0 HD21 LEU A 68 11.223 -27.555 -4.920 1.00 50.12 H new ATOM 0 HD22 LEU A 68 11.397 -29.319 -5.077 1.00 50.12 H new ATOM 0 HD23 LEU A 68 9.805 -28.611 -4.718 1.00 50.12 H new ATOM 1080 N GLN A 69 8.916 -32.454 -1.744 1.00 3.11 N ATOM 1081 CA GLN A 69 8.516 -33.836 -1.984 1.00 54.01 C ATOM 1082 C GLN A 69 7.009 -34.003 -1.818 1.00 42.00 C ATOM 1083 O GLN A 69 6.365 -34.718 -2.586 1.00 21.42 O ATOM 1084 CB GLN A 69 9.254 -34.775 -1.028 1.00 12.33 C ATOM 1085 CG GLN A 69 9.197 -36.236 -1.447 1.00 64.03 C ATOM 1086 CD GLN A 69 9.100 -37.178 -0.263 1.00 11.54 C ATOM 1087 OE1 GLN A 69 8.058 -37.273 0.387 1.00 22.25 O ATOM 1088 NE2 GLN A 69 10.188 -37.885 0.022 1.00 25.40 N ATOM 0 H GLN A 69 9.346 -32.291 -0.833 1.00 3.11 H new ATOM 0 HA GLN A 69 8.780 -34.092 -3.010 1.00 54.01 H new ATOM 0 HB2 GLN A 69 10.297 -34.465 -0.960 1.00 12.33 H new ATOM 0 HB3 GLN A 69 8.826 -34.675 -0.031 1.00 12.33 H new ATOM 0 HG2 GLN A 69 8.338 -36.390 -2.100 1.00 64.03 H new ATOM 0 HG3 GLN A 69 10.087 -36.479 -2.028 1.00 64.03 H new ATOM 0 HE21 GLN A 69 11.030 -37.775 -0.543 1.00 25.40 H new ATOM 0 HE22 GLN A 69 10.181 -38.538 0.806 1.00 25.40 H new ATOM 1097 N THR A 70 6.452 -33.338 -0.810 1.00 40.34 N ATOM 1098 CA THR A 70 5.021 -33.415 -0.543 1.00 63.25 C ATOM 1099 C THR A 70 4.288 -32.214 -1.129 1.00 63.42 C ATOM 1100 O THR A 70 3.259 -31.787 -0.606 1.00 21.44 O ATOM 1101 CB THR A 70 4.736 -33.488 0.969 1.00 53.54 C ATOM 1102 OG1 THR A 70 5.858 -34.058 1.653 1.00 3.40 O ATOM 1103 CG2 THR A 70 3.493 -34.321 1.245 1.00 21.22 C ATOM 0 H THR A 70 6.970 -32.741 -0.166 1.00 40.34 H new ATOM 0 HA THR A 70 4.658 -34.326 -1.018 1.00 63.25 H new ATOM 0 HB THR A 70 4.565 -32.475 1.333 1.00 53.54 H new ATOM 0 HG1 THR A 70 5.669 -34.099 2.614 1.00 3.40 H new ATOM 0 HG21 THR A 70 3.311 -34.359 2.319 1.00 21.22 H new ATOM 0 HG22 THR A 70 2.635 -33.870 0.747 1.00 21.22 H new ATOM 0 HG23 THR A 70 3.641 -35.332 0.867 1.00 21.22 H new ATOM 1111 N GLY A 71 4.824 -31.673 -2.218 1.00 2.23 N ATOM 1112 CA GLY A 71 4.207 -30.525 -2.858 1.00 14.33 C ATOM 1113 C GLY A 71 3.598 -30.870 -4.204 1.00 64.13 C ATOM 1114 O GLY A 71 4.031 -31.815 -4.864 1.00 63.51 O ATOM 0 H GLY A 71 5.675 -32.009 -2.669 1.00 2.23 H new ATOM 0 HA2 GLY A 71 3.433 -30.121 -2.205 1.00 14.33 H new ATOM 0 HA3 GLY A 71 4.953 -29.742 -2.990 1.00 14.33 H new ATOM 1118 N SER A 72 2.593 -30.103 -4.611 1.00 62.52 N ATOM 1119 CA SER A 72 1.920 -30.334 -5.884 1.00 64.11 C ATOM 1120 C SER A 72 2.575 -29.524 -6.999 1.00 24.01 C ATOM 1121 O SER A 72 3.547 -28.805 -6.768 1.00 3.35 O ATOM 1122 CB SER A 72 0.439 -29.970 -5.776 1.00 73.41 C ATOM 1123 OG SER A 72 0.224 -28.606 -6.095 1.00 41.40 O ATOM 0 H SER A 72 2.226 -29.315 -4.077 1.00 62.52 H new ATOM 0 HA SER A 72 2.009 -31.393 -6.127 1.00 64.11 H new ATOM 0 HB2 SER A 72 -0.143 -30.600 -6.448 1.00 73.41 H new ATOM 0 HB3 SER A 72 0.085 -30.170 -4.765 1.00 73.41 H new ATOM 0 HG SER A 72 -0.731 -28.399 -6.020 1.00 41.40 H new ATOM 1129 N GLU A 73 2.035 -29.647 -8.207 1.00 55.33 N ATOM 1130 CA GLU A 73 2.567 -28.928 -9.358 1.00 13.10 C ATOM 1131 C GLU A 73 2.676 -27.435 -9.063 1.00 0.23 C ATOM 1132 O GLU A 73 3.563 -26.754 -9.576 1.00 3.43 O ATOM 1133 CB GLU A 73 1.678 -29.153 -10.583 1.00 1.41 C ATOM 1134 CG GLU A 73 0.220 -28.796 -10.352 1.00 4.14 C ATOM 1135 CD GLU A 73 -0.669 -29.189 -11.515 1.00 4.24 C ATOM 1136 OE1 GLU A 73 -0.452 -30.280 -12.085 1.00 31.12 O ATOM 1137 OE2 GLU A 73 -1.581 -28.408 -11.858 1.00 75.34 O1- ATOM 0 H GLU A 73 1.230 -30.238 -8.414 1.00 55.33 H new ATOM 0 HA GLU A 73 3.565 -29.314 -9.566 1.00 13.10 H new ATOM 0 HB2 GLU A 73 2.061 -28.560 -11.413 1.00 1.41 H new ATOM 0 HB3 GLU A 73 1.744 -30.199 -10.882 1.00 1.41 H new ATOM 0 HG2 GLU A 73 -0.132 -29.291 -9.447 1.00 4.14 H new ATOM 0 HG3 GLU A 73 0.135 -27.723 -10.182 1.00 4.14 H new ATOM 1144 N GLU A 74 1.766 -26.933 -8.234 1.00 21.21 N ATOM 1145 CA GLU A 74 1.760 -25.521 -7.872 1.00 21.51 C ATOM 1146 C GLU A 74 3.006 -25.159 -7.071 1.00 41.02 C ATOM 1147 O GLU A 74 3.750 -24.247 -7.436 1.00 1.21 O ATOM 1148 CB GLU A 74 0.504 -25.184 -7.065 1.00 51.35 C ATOM 1149 CG GLU A 74 -0.748 -25.047 -7.913 1.00 24.52 C ATOM 1150 CD GLU A 74 -1.792 -24.153 -7.273 1.00 71.22 C ATOM 1151 OE1 GLU A 74 -1.624 -23.800 -6.086 1.00 11.40 O1- ATOM 1152 OE2 GLU A 74 -2.777 -23.807 -7.957 1.00 55.31 O ATOM 0 H GLU A 74 1.024 -27.483 -7.801 1.00 21.21 H new ATOM 0 HA GLU A 74 1.759 -24.936 -8.792 1.00 21.51 H new ATOM 0 HB2 GLU A 74 0.343 -25.962 -6.318 1.00 51.35 H new ATOM 0 HB3 GLU A 74 0.670 -24.252 -6.524 1.00 51.35 H new ATOM 0 HG2 GLU A 74 -0.479 -24.643 -8.889 1.00 24.52 H new ATOM 0 HG3 GLU A 74 -1.176 -26.035 -8.084 1.00 24.52 H new ATOM 1159 N LEU A 75 3.228 -25.878 -5.976 1.00 21.40 N ATOM 1160 CA LEU A 75 4.384 -25.633 -5.121 1.00 52.43 C ATOM 1161 C LEU A 75 5.681 -25.739 -5.916 1.00 42.34 C ATOM 1162 O LEU A 75 6.650 -25.032 -5.639 1.00 21.43 O ATOM 1163 CB LEU A 75 4.403 -26.627 -3.958 1.00 31.11 C ATOM 1164 CG LEU A 75 5.166 -26.184 -2.709 1.00 20.24 C ATOM 1165 CD1 LEU A 75 4.474 -26.693 -1.453 1.00 62.50 C ATOM 1166 CD2 LEU A 75 6.606 -26.672 -2.762 1.00 31.12 C ATOM 0 H LEU A 75 2.623 -26.635 -5.659 1.00 21.40 H new ATOM 0 HA LEU A 75 4.304 -24.621 -4.725 1.00 52.43 H new ATOM 0 HB2 LEU A 75 3.373 -26.842 -3.673 1.00 31.11 H new ATOM 0 HB3 LEU A 75 4.837 -27.562 -4.312 1.00 31.11 H new ATOM 0 HG LEU A 75 5.174 -25.094 -2.679 1.00 20.24 H new ATOM 0 HD11 LEU A 75 5.031 -26.368 -0.574 1.00 62.50 H new ATOM 0 HD12 LEU A 75 3.461 -26.294 -1.409 1.00 62.50 H new ATOM 0 HD13 LEU A 75 4.434 -27.782 -1.475 1.00 62.50 H new ATOM 0 HD21 LEU A 75 7.133 -26.347 -1.865 1.00 31.12 H new ATOM 0 HD22 LEU A 75 6.619 -27.761 -2.817 1.00 31.12 H new ATOM 0 HD23 LEU A 75 7.098 -26.258 -3.642 1.00 31.12 H new ATOM 1178 N ARG A 76 5.693 -26.626 -6.906 1.00 74.15 N ATOM 1179 CA ARG A 76 6.870 -26.824 -7.741 1.00 4.10 C ATOM 1180 C ARG A 76 7.196 -25.559 -8.530 1.00 64.25 C ATOM 1181 O ARG A 76 8.292 -25.010 -8.415 1.00 25.32 O ATOM 1182 CB ARG A 76 6.649 -27.993 -8.703 1.00 10.32 C ATOM 1183 CG ARG A 76 7.866 -28.890 -8.862 1.00 65.45 C ATOM 1184 CD ARG A 76 8.388 -28.873 -10.291 1.00 55.52 C ATOM 1185 NE ARG A 76 9.615 -29.652 -10.434 1.00 43.21 N ATOM 1186 CZ ARG A 76 10.088 -30.068 -11.603 1.00 12.21 C ATOM 1187 NH1 ARG A 76 9.441 -29.782 -12.725 1.00 54.54 N1+ ATOM 1188 NH2 ARG A 76 11.212 -30.772 -11.653 1.00 40.31 N ATOM 0 H ARG A 76 4.899 -27.219 -7.149 1.00 74.15 H new ATOM 0 HA ARG A 76 7.712 -27.053 -7.088 1.00 4.10 H new ATOM 0 HB2 ARG A 76 5.811 -28.592 -8.347 1.00 10.32 H new ATOM 0 HB3 ARG A 76 6.368 -27.600 -9.680 1.00 10.32 H new ATOM 0 HG2 ARG A 76 8.652 -28.562 -8.182 1.00 65.45 H new ATOM 0 HG3 ARG A 76 7.606 -29.911 -8.580 1.00 65.45 H new ATOM 0 HD2 ARG A 76 7.625 -29.271 -10.960 1.00 55.52 H new ATOM 0 HD3 ARG A 76 8.574 -27.844 -10.597 1.00 55.52 H new ATOM 0 HE ARG A 76 10.137 -29.889 -9.590 1.00 43.21 H new ATOM 0 HH11 ARG A 76 8.577 -29.241 -12.692 1.00 54.54 H new ATOM 0 HH12 ARG A 76 9.807 -30.103 -13.621 1.00 54.54 H new ATOM 0 HH21 ARG A 76 11.713 -30.994 -10.793 1.00 40.31 H new ATOM 0 HH22 ARG A 76 11.574 -31.091 -12.551 1.00 40.31 H new ATOM 1202 N SER A 77 6.239 -25.103 -9.330 1.00 33.31 N ATOM 1203 CA SER A 77 6.425 -23.905 -10.140 1.00 73.23 C ATOM 1204 C SER A 77 6.900 -22.736 -9.281 1.00 11.33 C ATOM 1205 O SER A 77 7.688 -21.902 -9.728 1.00 34.43 O ATOM 1206 CB SER A 77 5.120 -23.535 -10.849 1.00 62.32 C ATOM 1207 OG SER A 77 5.020 -24.185 -12.104 1.00 61.00 O ATOM 0 H SER A 77 5.326 -25.545 -9.435 1.00 33.31 H new ATOM 0 HA SER A 77 7.189 -24.117 -10.888 1.00 73.23 H new ATOM 0 HB2 SER A 77 4.271 -23.812 -10.224 1.00 62.32 H new ATOM 0 HB3 SER A 77 5.073 -22.455 -10.990 1.00 62.32 H new ATOM 0 HG SER A 77 4.177 -23.934 -12.536 1.00 61.00 H new ATOM 1213 N LEU A 78 6.415 -22.684 -8.046 1.00 31.22 N ATOM 1214 CA LEU A 78 6.788 -21.618 -7.122 1.00 2.01 C ATOM 1215 C LEU A 78 8.292 -21.624 -6.864 1.00 61.21 C ATOM 1216 O LEU A 78 8.975 -20.624 -7.091 1.00 74.20 O ATOM 1217 CB LEU A 78 6.033 -21.772 -5.802 1.00 54.11 C ATOM 1218 CG LEU A 78 4.856 -20.819 -5.587 1.00 72.52 C ATOM 1219 CD1 LEU A 78 5.319 -19.373 -5.672 1.00 71.33 C ATOM 1220 CD2 LEU A 78 3.757 -21.090 -6.603 1.00 21.03 C ATOM 0 H LEU A 78 5.763 -23.367 -7.661 1.00 31.22 H new ATOM 0 HA LEU A 78 6.519 -20.665 -7.578 1.00 2.01 H new ATOM 0 HB2 LEU A 78 5.663 -22.795 -5.735 1.00 54.11 H new ATOM 0 HB3 LEU A 78 6.740 -21.635 -4.984 1.00 54.11 H new ATOM 0 HG LEU A 78 4.451 -20.992 -4.590 1.00 72.52 H new ATOM 0 HD11 LEU A 78 4.469 -18.709 -5.517 1.00 71.33 H new ATOM 0 HD12 LEU A 78 6.070 -19.186 -4.905 1.00 71.33 H new ATOM 0 HD13 LEU A 78 5.750 -19.186 -6.655 1.00 71.33 H new ATOM 0 HD21 LEU A 78 2.928 -20.403 -6.434 1.00 21.03 H new ATOM 0 HD22 LEU A 78 4.149 -20.946 -7.610 1.00 21.03 H new ATOM 0 HD23 LEU A 78 3.405 -22.116 -6.494 1.00 21.03 H new ATOM 1232 N TYR A 79 8.801 -22.755 -6.391 1.00 41.35 N ATOM 1233 CA TYR A 79 10.224 -22.891 -6.101 1.00 24.30 C ATOM 1234 C TYR A 79 11.066 -22.473 -7.303 1.00 71.05 C ATOM 1235 O TYR A 79 12.186 -21.987 -7.151 1.00 40.54 O ATOM 1236 CB TYR A 79 10.551 -24.333 -5.711 1.00 2.40 C ATOM 1237 CG TYR A 79 11.738 -24.455 -4.782 1.00 34.15 C ATOM 1238 CD1 TYR A 79 11.725 -23.860 -3.526 1.00 61.10 C ATOM 1239 CD2 TYR A 79 12.871 -25.163 -5.160 1.00 41.43 C ATOM 1240 CE1 TYR A 79 12.807 -23.969 -2.674 1.00 25.51 C ATOM 1241 CE2 TYR A 79 13.957 -25.278 -4.314 1.00 72.35 C ATOM 1242 CZ TYR A 79 13.920 -24.678 -3.072 1.00 1.54 C ATOM 1243 OH TYR A 79 15.000 -24.789 -2.227 1.00 22.31 O ATOM 0 H TYR A 79 8.250 -23.592 -6.200 1.00 41.35 H new ATOM 0 HA TYR A 79 10.464 -22.233 -5.266 1.00 24.30 H new ATOM 0 HB2 TYR A 79 9.679 -24.778 -5.232 1.00 2.40 H new ATOM 0 HB3 TYR A 79 10.747 -24.909 -6.615 1.00 2.40 H new ATOM 0 HD1 TYR A 79 10.855 -23.303 -3.211 1.00 61.10 H new ATOM 0 HD2 TYR A 79 12.904 -25.632 -6.132 1.00 41.43 H new ATOM 0 HE1 TYR A 79 12.781 -23.501 -1.701 1.00 25.51 H new ATOM 0 HE2 TYR A 79 14.830 -25.834 -4.623 1.00 72.35 H new ATOM 0 HH TYR A 79 15.700 -25.322 -2.659 1.00 22.31 H new ATOM 1253 N ASN A 80 10.517 -22.667 -8.498 1.00 1.32 N ATOM 1254 CA ASN A 80 11.217 -22.311 -9.728 1.00 73.35 C ATOM 1255 C ASN A 80 11.290 -20.796 -9.893 1.00 54.44 C ATOM 1256 O ASN A 80 12.373 -20.225 -10.019 1.00 12.00 O ATOM 1257 CB ASN A 80 10.517 -22.935 -10.936 1.00 53.22 C ATOM 1258 CG ASN A 80 11.026 -24.330 -11.243 1.00 52.13 C ATOM 1259 OD1 ASN A 80 11.349 -25.098 -10.336 1.00 72.14 O ATOM 1260 ND2 ASN A 80 11.099 -24.665 -12.526 1.00 71.33 N ATOM 0 H ASN A 80 9.590 -23.068 -8.641 1.00 1.32 H new ATOM 0 HA ASN A 80 12.233 -22.700 -9.665 1.00 73.35 H new ATOM 0 HB2 ASN A 80 9.444 -22.976 -10.749 1.00 53.22 H new ATOM 0 HB3 ASN A 80 10.665 -22.297 -11.808 1.00 53.22 H new ATOM 0 HD21 ASN A 80 11.433 -25.591 -12.793 1.00 71.33 H new ATOM 0 HD22 ASN A 80 10.821 -23.996 -13.244 1.00 71.33 H new ATOM 1267 N THR A 81 10.128 -20.150 -9.890 1.00 71.40 N ATOM 1268 CA THR A 81 10.058 -18.702 -10.041 1.00 44.31 C ATOM 1269 C THR A 81 10.781 -17.996 -8.900 1.00 31.23 C ATOM 1270 O THR A 81 11.651 -17.155 -9.131 1.00 74.33 O ATOM 1271 CB THR A 81 8.599 -18.212 -10.090 1.00 32.11 C ATOM 1272 OG1 THR A 81 7.872 -18.937 -11.088 1.00 1.33 O ATOM 1273 CG2 THR A 81 8.539 -16.723 -10.394 1.00 72.31 C ATOM 0 H THR A 81 9.222 -20.607 -9.785 1.00 71.40 H new ATOM 0 HA THR A 81 10.547 -18.458 -10.984 1.00 44.31 H new ATOM 0 HB THR A 81 8.147 -18.386 -9.114 1.00 32.11 H new ATOM 0 HG1 THR A 81 6.945 -18.621 -11.112 1.00 1.33 H new ATOM 0 HG21 THR A 81 7.499 -16.399 -10.424 1.00 72.31 H new ATOM 0 HG22 THR A 81 9.069 -16.171 -9.617 1.00 72.31 H new ATOM 0 HG23 THR A 81 9.007 -16.530 -11.359 1.00 72.31 H new ATOM 1281 N ILE A 82 10.417 -18.343 -7.670 1.00 71.23 N ATOM 1282 CA ILE A 82 11.033 -17.742 -6.493 1.00 62.30 C ATOM 1283 C ILE A 82 12.549 -17.912 -6.520 1.00 72.51 C ATOM 1284 O ILE A 82 13.282 -17.125 -5.921 1.00 23.35 O ATOM 1285 CB ILE A 82 10.481 -18.357 -5.193 1.00 5.03 C ATOM 1286 CG1 ILE A 82 8.963 -18.176 -5.122 1.00 4.31 C ATOM 1287 CG2 ILE A 82 11.153 -17.725 -3.983 1.00 51.40 C ATOM 1288 CD1 ILE A 82 8.292 -19.095 -4.127 1.00 73.51 C ATOM 0 H ILE A 82 9.699 -19.037 -7.462 1.00 71.23 H new ATOM 0 HA ILE A 82 10.788 -16.680 -6.515 1.00 62.30 H new ATOM 0 HB ILE A 82 10.701 -19.425 -5.190 1.00 5.03 H new ATOM 0 HG12 ILE A 82 8.740 -17.142 -4.857 1.00 4.31 H new ATOM 0 HG13 ILE A 82 8.538 -18.351 -6.110 1.00 4.31 H new ATOM 0 HG21 ILE A 82 10.753 -18.169 -3.071 1.00 51.40 H new ATOM 0 HG22 ILE A 82 12.228 -17.900 -4.031 1.00 51.40 H new ATOM 0 HG23 ILE A 82 10.960 -16.652 -3.979 1.00 51.40 H new ATOM 0 HD11 ILE A 82 7.217 -18.912 -4.130 1.00 73.51 H new ATOM 0 HD12 ILE A 82 8.484 -20.132 -4.402 1.00 73.51 H new ATOM 0 HD13 ILE A 82 8.690 -18.905 -3.130 1.00 73.51 H new ATOM 1300 N ALA A 83 13.012 -18.944 -7.217 1.00 34.01 N ATOM 1301 CA ALA A 83 14.439 -19.215 -7.325 1.00 64.54 C ATOM 1302 C ALA A 83 15.117 -18.225 -8.266 1.00 13.44 C ATOM 1303 O ALA A 83 15.986 -17.457 -7.855 1.00 20.24 O ATOM 1304 CB ALA A 83 14.672 -20.642 -7.800 1.00 34.32 C ATOM 0 H ALA A 83 12.418 -19.607 -7.716 1.00 34.01 H new ATOM 0 HA ALA A 83 14.881 -19.097 -6.336 1.00 64.54 H new ATOM 0 HB1 ALA A 83 15.743 -20.830 -7.876 1.00 34.32 H new ATOM 0 HB2 ALA A 83 14.231 -21.339 -7.088 1.00 34.32 H new ATOM 0 HB3 ALA A 83 14.209 -20.780 -8.777 1.00 34.32 H new ATOM 1310 N VAL A 84 14.713 -18.249 -9.533 1.00 42.52 N ATOM 1311 CA VAL A 84 15.282 -17.353 -10.533 1.00 14.22 C ATOM 1312 C VAL A 84 15.237 -15.904 -10.063 1.00 75.24 C ATOM 1313 O VAL A 84 16.160 -15.129 -10.314 1.00 22.21 O ATOM 1314 CB VAL A 84 14.537 -17.468 -11.877 1.00 54.03 C ATOM 1315 CG1 VAL A 84 15.124 -16.505 -12.897 1.00 65.11 C ATOM 1316 CG2 VAL A 84 14.586 -18.898 -12.393 1.00 51.35 C ATOM 0 H VAL A 84 13.995 -18.879 -9.890 1.00 42.52 H new ATOM 0 HA VAL A 84 16.320 -17.654 -10.673 1.00 14.22 H new ATOM 0 HB VAL A 84 13.493 -17.199 -11.717 1.00 54.03 H new ATOM 0 HG11 VAL A 84 14.585 -16.601 -13.840 1.00 65.11 H new ATOM 0 HG12 VAL A 84 15.032 -15.483 -12.528 1.00 65.11 H new ATOM 0 HG13 VAL A 84 16.177 -16.740 -13.055 1.00 65.11 H new ATOM 0 HG21 VAL A 84 14.055 -18.960 -13.343 1.00 51.35 H new ATOM 0 HG22 VAL A 84 15.624 -19.197 -12.537 1.00 51.35 H new ATOM 0 HG23 VAL A 84 14.114 -19.562 -11.669 1.00 51.35 H new ATOM 1326 N LEU A 85 14.158 -15.544 -9.376 1.00 41.33 N ATOM 1327 CA LEU A 85 13.992 -14.188 -8.868 1.00 62.42 C ATOM 1328 C LEU A 85 14.945 -13.920 -7.707 1.00 44.03 C ATOM 1329 O LEU A 85 15.683 -12.935 -7.711 1.00 64.50 O ATOM 1330 CB LEU A 85 12.547 -13.963 -8.417 1.00 25.01 C ATOM 1331 CG LEU A 85 11.935 -12.609 -8.778 1.00 74.11 C ATOM 1332 CD1 LEU A 85 11.185 -12.697 -10.098 1.00 30.43 C ATOM 1333 CD2 LEU A 85 11.010 -12.130 -7.668 1.00 32.22 C ATOM 0 H LEU A 85 13.385 -16.173 -9.158 1.00 41.33 H new ATOM 0 HA LEU A 85 14.227 -13.494 -9.675 1.00 62.42 H new ATOM 0 HB2 LEU A 85 11.926 -14.747 -8.850 1.00 25.01 H new ATOM 0 HB3 LEU A 85 12.502 -14.082 -7.334 1.00 25.01 H new ATOM 0 HG LEU A 85 12.742 -11.885 -8.890 1.00 74.11 H new ATOM 0 HD11 LEU A 85 10.756 -11.724 -10.338 1.00 30.43 H new ATOM 0 HD12 LEU A 85 11.874 -12.996 -10.888 1.00 30.43 H new ATOM 0 HD13 LEU A 85 10.387 -13.435 -10.014 1.00 30.43 H new ATOM 0 HD21 LEU A 85 10.583 -11.165 -7.941 1.00 32.22 H new ATOM 0 HD22 LEU A 85 10.208 -12.854 -7.525 1.00 32.22 H new ATOM 0 HD23 LEU A 85 11.576 -12.027 -6.742 1.00 32.22 H new ATOM 1345 N TYR A 86 14.926 -14.806 -6.717 1.00 63.30 N ATOM 1346 CA TYR A 86 15.788 -14.665 -5.550 1.00 72.44 C ATOM 1347 C TYR A 86 17.242 -14.472 -5.967 1.00 45.11 C ATOM 1348 O TYR A 86 17.930 -13.579 -5.468 1.00 22.11 O ATOM 1349 CB TYR A 86 15.664 -15.894 -4.646 1.00 22.34 C ATOM 1350 CG TYR A 86 16.675 -15.925 -3.523 1.00 62.20 C ATOM 1351 CD1 TYR A 86 16.562 -15.069 -2.435 1.00 34.31 C ATOM 1352 CD2 TYR A 86 17.745 -16.812 -3.550 1.00 22.13 C ATOM 1353 CE1 TYR A 86 17.483 -15.093 -1.407 1.00 64.22 C ATOM 1354 CE2 TYR A 86 18.671 -16.844 -2.525 1.00 14.51 C ATOM 1355 CZ TYR A 86 18.536 -15.982 -1.457 1.00 42.33 C ATOM 1356 OH TYR A 86 19.457 -16.011 -0.434 1.00 35.32 O ATOM 0 H TYR A 86 14.323 -15.629 -6.700 1.00 63.30 H new ATOM 0 HA TYR A 86 15.467 -13.782 -4.998 1.00 72.44 H new ATOM 0 HB2 TYR A 86 14.661 -15.922 -4.221 1.00 22.34 H new ATOM 0 HB3 TYR A 86 15.779 -16.793 -5.252 1.00 22.34 H new ATOM 0 HD1 TYR A 86 15.738 -14.372 -2.393 1.00 34.31 H new ATOM 0 HD2 TYR A 86 17.854 -17.487 -4.386 1.00 22.13 H new ATOM 0 HE1 TYR A 86 17.380 -14.420 -0.569 1.00 64.22 H new ATOM 0 HE2 TYR A 86 19.496 -17.540 -2.560 1.00 14.51 H new ATOM 0 HH TYR A 86 20.134 -16.694 -0.623 1.00 35.32 H new ATOM 1366 N CYS A 87 17.705 -15.313 -6.884 1.00 52.35 N ATOM 1367 CA CYS A 87 19.078 -15.237 -7.370 1.00 44.12 C ATOM 1368 C CYS A 87 19.405 -13.829 -7.855 1.00 63.42 C ATOM 1369 O CYS A 87 20.398 -13.232 -7.437 1.00 32.05 O ATOM 1370 CB CYS A 87 19.298 -16.243 -8.501 1.00 54.34 C ATOM 1371 SG CYS A 87 19.839 -17.876 -7.941 1.00 23.21 S ATOM 0 H CYS A 87 17.149 -16.057 -7.307 1.00 52.35 H new ATOM 0 HA CYS A 87 19.744 -15.481 -6.543 1.00 44.12 H new ATOM 0 HB2 CYS A 87 18.370 -16.352 -9.062 1.00 54.34 H new ATOM 0 HB3 CYS A 87 20.041 -15.842 -9.190 1.00 54.34 H new ATOM 0 HG CYS A 87 19.996 -18.657 -8.968 1.00 23.21 H new ATOM 1377 N VAL A 88 18.566 -13.304 -8.742 1.00 34.45 N ATOM 1378 CA VAL A 88 18.765 -11.967 -9.285 1.00 21.50 C ATOM 1379 C VAL A 88 18.755 -10.917 -8.180 1.00 62.45 C ATOM 1380 O VAL A 88 19.505 -9.942 -8.227 1.00 24.23 O ATOM 1381 CB VAL A 88 17.682 -11.614 -10.322 1.00 24.11 C ATOM 1382 CG1 VAL A 88 17.973 -10.264 -10.960 1.00 31.33 C ATOM 1383 CG2 VAL A 88 17.584 -12.703 -11.380 1.00 64.00 C ATOM 0 H VAL A 88 17.741 -13.786 -9.100 1.00 34.45 H new ATOM 0 HA VAL A 88 19.739 -11.967 -9.774 1.00 21.50 H new ATOM 0 HB VAL A 88 16.722 -11.547 -9.811 1.00 24.11 H new ATOM 0 HG11 VAL A 88 17.197 -10.032 -11.690 1.00 31.33 H new ATOM 0 HG12 VAL A 88 17.989 -9.493 -10.189 1.00 31.33 H new ATOM 0 HG13 VAL A 88 18.942 -10.298 -11.459 1.00 31.33 H new ATOM 0 HG21 VAL A 88 16.814 -12.438 -12.105 1.00 64.00 H new ATOM 0 HG22 VAL A 88 18.543 -12.803 -11.889 1.00 64.00 H new ATOM 0 HG23 VAL A 88 17.325 -13.649 -10.905 1.00 64.00 H new ATOM 1393 N HIS A 89 17.899 -11.123 -7.183 1.00 2.13 N ATOM 1394 CA HIS A 89 17.790 -10.194 -6.063 1.00 53.42 C ATOM 1395 C HIS A 89 19.049 -10.236 -5.201 1.00 32.12 C ATOM 1396 O HIS A 89 19.420 -9.179 -4.692 1.00 13.15 O ATOM 1397 CB HIS A 89 16.564 -10.529 -5.212 1.00 1.32 C ATOM 1398 CG HIS A 89 15.274 -10.057 -5.810 1.00 41.25 C ATOM 1399 ND1 HIS A 89 15.199 -9.018 -6.714 1.00 61.23 N ATOM 1400 CD2 HIS A 89 14.004 -10.489 -5.629 1.00 4.53 C ATOM 1401 CE1 HIS A 89 13.938 -8.831 -7.061 1.00 2.34 C ATOM 1402 NE2 HIS A 89 13.194 -9.712 -6.419 1.00 54.24 N ATOM 0 H HIS A 89 17.271 -11.925 -7.128 1.00 2.13 H new ATOM 0 HA HIS A 89 17.678 -9.187 -6.466 1.00 53.42 H new ATOM 0 HB2 HIS A 89 16.515 -11.608 -5.068 1.00 1.32 H new ATOM 0 HB3 HIS A 89 16.683 -10.081 -4.225 1.00 1.32 H new ATOM 0 HD2 HIS A 89 13.687 -11.295 -4.983 1.00 4.53 H new ATOM 0 HE1 HIS A 89 13.577 -8.084 -7.753 1.00 2.34 H new ATOM 0 HE2 HIS A 89 12.181 -9.801 -6.497 1.00 54.24 H new ATOM 1411 N GLN A 90 19.691 -11.387 -5.030 1.00 51.33 N ATOM 1412 CA GLN A 90 20.896 -11.475 -4.214 1.00 45.04 C ATOM 1413 C GLN A 90 22.115 -10.985 -4.989 1.00 33.32 C ATOM 1414 O GLN A 90 22.616 -9.887 -4.746 1.00 43.35 O ATOM 1415 CB GLN A 90 21.119 -12.915 -3.748 1.00 60.42 C ATOM 1416 CG GLN A 90 20.843 -13.125 -2.268 1.00 70.30 C ATOM 1417 CD GLN A 90 22.089 -13.494 -1.489 1.00 65.31 C ATOM 1418 OE1 GLN A 90 22.736 -12.636 -0.887 1.00 73.42 O ATOM 1419 NE2 GLN A 90 22.434 -14.777 -1.495 1.00 65.41 N ATOM 0 H GLN A 90 19.397 -12.271 -5.445 1.00 51.33 H new ATOM 0 HA GLN A 90 20.761 -10.835 -3.342 1.00 45.04 H new ATOM 0 HB2 GLN A 90 20.477 -13.579 -4.327 1.00 60.42 H new ATOM 0 HB3 GLN A 90 22.149 -13.202 -3.961 1.00 60.42 H new ATOM 0 HG2 GLN A 90 20.414 -12.215 -1.850 1.00 70.30 H new ATOM 0 HG3 GLN A 90 20.098 -13.912 -2.149 1.00 70.30 H new ATOM 0 HE21 GLN A 90 21.869 -15.455 -2.007 1.00 65.41 H new ATOM 0 HE22 GLN A 90 23.264 -15.084 -0.987 1.00 65.41 H new ATOM 1428 N ARG A 91 22.587 -11.806 -5.922 1.00 35.21 N ATOM 1429 CA ARG A 91 23.747 -11.457 -6.731 1.00 24.42 C ATOM 1430 C ARG A 91 24.070 -12.567 -7.727 1.00 61.31 C ATOM 1431 O ARG A 91 25.236 -12.818 -8.034 1.00 41.03 O ATOM 1432 CB ARG A 91 24.959 -11.190 -5.836 1.00 0.34 C ATOM 1433 CG ARG A 91 25.724 -9.930 -6.205 1.00 14.12 C ATOM 1434 CD ARG A 91 27.227 -10.146 -6.117 1.00 71.33 C ATOM 1435 NE ARG A 91 27.698 -10.152 -4.734 1.00 63.23 N ATOM 1436 CZ ARG A 91 27.916 -9.048 -4.027 1.00 54.43 C ATOM 1437 NH1 ARG A 91 27.705 -7.857 -4.569 1.00 41.41 N1+ ATOM 1438 NH2 ARG A 91 28.345 -9.137 -2.773 1.00 32.45 N ATOM 0 H ARG A 91 22.183 -12.718 -6.136 1.00 35.21 H new ATOM 0 HA ARG A 91 23.510 -10.551 -7.288 1.00 24.42 H new ATOM 0 HB2 ARG A 91 24.625 -11.112 -4.801 1.00 0.34 H new ATOM 0 HB3 ARG A 91 25.635 -12.044 -5.890 1.00 0.34 H new ATOM 0 HG2 ARG A 91 25.458 -9.624 -7.217 1.00 14.12 H new ATOM 0 HG3 ARG A 91 25.432 -9.118 -5.539 1.00 14.12 H new ATOM 0 HD2 ARG A 91 27.486 -11.092 -6.592 1.00 71.33 H new ATOM 0 HD3 ARG A 91 27.740 -9.360 -6.671 1.00 71.33 H new ATOM 0 HE ARG A 91 27.869 -11.053 -4.287 1.00 63.23 H new ATOM 0 HH11 ARG A 91 27.374 -7.786 -5.531 1.00 41.41 H new ATOM 0 HH12 ARG A 91 27.873 -7.012 -4.024 1.00 41.41 H new ATOM 0 HH21 ARG A 91 28.507 -10.052 -2.353 1.00 32.45 H new ATOM 0 HH22 ARG A 91 28.512 -8.290 -2.230 1.00 32.45 H new ATOM 1452 N ILE A 92 23.031 -13.229 -8.225 1.00 24.53 N ATOM 1453 CA ILE A 92 23.206 -14.312 -9.184 1.00 33.15 C ATOM 1454 C ILE A 92 22.346 -14.090 -10.425 1.00 54.34 C ATOM 1455 O ILE A 92 21.217 -13.607 -10.332 1.00 23.04 O ATOM 1456 CB ILE A 92 22.851 -15.676 -8.565 1.00 51.44 C ATOM 1457 CG1 ILE A 92 23.728 -15.948 -7.341 1.00 63.04 C ATOM 1458 CG2 ILE A 92 23.012 -16.784 -9.595 1.00 53.13 C ATOM 1459 CD1 ILE A 92 22.965 -15.930 -6.035 1.00 43.41 C ATOM 0 H ILE A 92 22.060 -13.034 -7.980 1.00 24.53 H new ATOM 0 HA ILE A 92 24.258 -14.315 -9.468 1.00 33.15 H new ATOM 0 HB ILE A 92 21.809 -15.653 -8.245 1.00 51.44 H new ATOM 0 HG12 ILE A 92 24.210 -16.919 -7.458 1.00 63.04 H new ATOM 0 HG13 ILE A 92 24.521 -15.202 -7.299 1.00 63.04 H new ATOM 0 HG21 ILE A 92 22.757 -17.742 -9.142 1.00 53.13 H new ATOM 0 HG22 ILE A 92 22.350 -16.595 -10.440 1.00 53.13 H new ATOM 0 HG23 ILE A 92 24.045 -16.810 -9.943 1.00 53.13 H new ATOM 0 HD11 ILE A 92 23.650 -16.130 -5.211 1.00 43.41 H new ATOM 0 HD12 ILE A 92 22.506 -14.951 -5.895 1.00 43.41 H new ATOM 0 HD13 ILE A 92 22.189 -16.695 -6.056 1.00 43.41 H new ATOM 1471 N ASP A 93 22.886 -14.450 -11.584 1.00 73.13 N ATOM 1472 CA ASP A 93 22.167 -14.294 -12.843 1.00 50.00 C ATOM 1473 C ASP A 93 22.270 -15.560 -13.688 1.00 24.31 C ATOM 1474 O ASP A 93 22.806 -15.538 -14.796 1.00 64.32 O ATOM 1475 CB ASP A 93 22.717 -13.098 -13.624 1.00 55.12 C ATOM 1476 CG ASP A 93 22.705 -11.820 -12.809 1.00 51.51 C ATOM 1477 OD1 ASP A 93 23.472 -11.736 -11.828 1.00 45.44 O1- ATOM 1478 OD2 ASP A 93 21.929 -10.905 -13.153 1.00 71.55 O ATOM 0 H ASP A 93 23.819 -14.852 -11.678 1.00 73.13 H new ATOM 0 HA ASP A 93 21.116 -14.116 -12.614 1.00 50.00 H new ATOM 0 HB2 ASP A 93 23.737 -13.313 -13.942 1.00 55.12 H new ATOM 0 HB3 ASP A 93 22.125 -12.955 -14.528 1.00 55.12 H new ATOM 1483 N VAL A 94 21.753 -16.663 -13.157 1.00 3.30 N ATOM 1484 CA VAL A 94 21.787 -17.939 -13.862 1.00 13.12 C ATOM 1485 C VAL A 94 21.097 -17.837 -15.218 1.00 61.52 C ATOM 1486 O VAL A 94 20.630 -16.767 -15.610 1.00 22.05 O ATOM 1487 CB VAL A 94 21.113 -19.053 -13.039 1.00 61.25 C ATOM 1488 CG1 VAL A 94 21.760 -19.168 -11.667 1.00 53.12 C ATOM 1489 CG2 VAL A 94 19.620 -18.793 -12.913 1.00 31.40 C ATOM 0 H VAL A 94 21.306 -16.699 -12.241 1.00 3.30 H new ATOM 0 HA VAL A 94 22.837 -18.190 -14.010 1.00 13.12 H new ATOM 0 HB VAL A 94 21.251 -20.000 -13.560 1.00 61.25 H new ATOM 0 HG11 VAL A 94 21.271 -19.960 -11.099 1.00 53.12 H new ATOM 0 HG12 VAL A 94 22.818 -19.404 -11.782 1.00 53.12 H new ATOM 0 HG13 VAL A 94 21.655 -18.222 -11.135 1.00 53.12 H new ATOM 0 HG21 VAL A 94 19.160 -19.590 -12.329 1.00 31.40 H new ATOM 0 HG22 VAL A 94 19.458 -17.837 -12.414 1.00 31.40 H new ATOM 0 HG23 VAL A 94 19.170 -18.765 -13.906 1.00 31.40 H new ATOM 1499 N LYS A 95 21.034 -18.956 -15.930 1.00 22.22 N ATOM 1500 CA LYS A 95 20.399 -18.994 -17.242 1.00 42.20 C ATOM 1501 C LYS A 95 19.180 -19.910 -17.230 1.00 3.52 C ATOM 1502 O LYS A 95 18.255 -19.739 -18.024 1.00 44.20 O ATOM 1503 CB LYS A 95 21.398 -19.470 -18.300 1.00 12.12 C ATOM 1504 CG LYS A 95 22.364 -18.389 -18.754 1.00 51.21 C ATOM 1505 CD LYS A 95 21.942 -17.786 -20.083 1.00 43.43 C ATOM 1506 CE LYS A 95 22.750 -18.362 -21.237 1.00 43.12 C ATOM 1507 NZ LYS A 95 22.011 -18.278 -22.527 1.00 64.21 N1+ ATOM 0 H LYS A 95 21.415 -19.850 -15.620 1.00 22.22 H new ATOM 0 HA LYS A 95 20.070 -17.985 -17.489 1.00 42.20 H new ATOM 0 HB2 LYS A 95 21.967 -20.309 -17.899 1.00 12.12 H new ATOM 0 HB3 LYS A 95 20.849 -19.842 -19.165 1.00 12.12 H new ATOM 0 HG2 LYS A 95 22.416 -17.605 -17.998 1.00 51.21 H new ATOM 0 HG3 LYS A 95 23.365 -18.810 -18.846 1.00 51.21 H new ATOM 0 HD2 LYS A 95 20.882 -17.975 -20.250 1.00 43.43 H new ATOM 0 HD3 LYS A 95 22.072 -16.704 -20.051 1.00 43.43 H new ATOM 0 HE2 LYS A 95 23.694 -17.824 -21.324 1.00 43.12 H new ATOM 0 HE3 LYS A 95 22.994 -19.403 -21.025 1.00 43.12 H new ATOM 0 HZ1 LYS A 95 22.594 -18.680 -23.288 1.00 64.21 H new ATOM 0 HZ2 LYS A 95 21.122 -18.812 -22.453 1.00 64.21 H new ATOM 0 HZ3 LYS A 95 21.800 -17.283 -22.742 1.00 64.21 H new ATOM 1521 N ASP A 96 19.185 -20.882 -16.325 1.00 74.23 N ATOM 1522 CA ASP A 96 18.078 -21.824 -16.208 1.00 52.03 C ATOM 1523 C ASP A 96 17.698 -22.038 -14.745 1.00 23.11 C ATOM 1524 O ASP A 96 18.494 -21.781 -13.842 1.00 63.25 O ATOM 1525 CB ASP A 96 18.447 -23.161 -16.851 1.00 23.04 C ATOM 1526 CG ASP A 96 19.856 -23.601 -16.505 1.00 34.00 C ATOM 1527 OD1 ASP A 96 20.114 -23.878 -15.314 1.00 4.23 O ATOM 1528 OD2 ASP A 96 20.699 -23.670 -17.424 1.00 75.13 O1- ATOM 0 H ASP A 96 19.944 -21.038 -15.661 1.00 74.23 H new ATOM 0 HA ASP A 96 17.219 -21.403 -16.731 1.00 52.03 H new ATOM 0 HB2 ASP A 96 17.741 -23.925 -16.525 1.00 23.04 H new ATOM 0 HB3 ASP A 96 18.351 -23.079 -17.934 1.00 23.04 H new ATOM 1533 N THR A 97 16.475 -22.508 -14.519 1.00 51.40 N ATOM 1534 CA THR A 97 15.989 -22.754 -13.167 1.00 22.44 C ATOM 1535 C THR A 97 16.722 -23.925 -12.524 1.00 55.32 C ATOM 1536 O THR A 97 16.815 -24.016 -11.300 1.00 24.01 O ATOM 1537 CB THR A 97 14.476 -23.042 -13.158 1.00 10.32 C ATOM 1538 OG1 THR A 97 13.760 -21.921 -13.689 1.00 3.30 O ATOM 1539 CG2 THR A 97 13.990 -23.339 -11.748 1.00 15.35 C ATOM 0 H THR A 97 15.803 -22.726 -15.255 1.00 51.40 H new ATOM 0 HA THR A 97 16.182 -21.849 -12.592 1.00 22.44 H new ATOM 0 HB THR A 97 14.292 -23.918 -13.781 1.00 10.32 H new ATOM 0 HG1 THR A 97 14.397 -21.250 -14.012 1.00 3.30 H new ATOM 0 HG21 THR A 97 12.919 -23.539 -11.767 1.00 15.35 H new ATOM 0 HG22 THR A 97 14.515 -24.211 -11.358 1.00 15.35 H new ATOM 0 HG23 THR A 97 14.187 -22.480 -11.107 1.00 15.35 H new ATOM 1547 N LYS A 98 17.241 -24.821 -13.357 1.00 52.24 N ATOM 1548 CA LYS A 98 17.968 -25.988 -12.869 1.00 24.14 C ATOM 1549 C LYS A 98 19.233 -25.569 -12.126 1.00 61.30 C ATOM 1550 O LYS A 98 19.606 -26.180 -11.125 1.00 22.22 O ATOM 1551 CB LYS A 98 18.331 -26.911 -14.034 1.00 22.22 C ATOM 1552 CG LYS A 98 18.093 -28.382 -13.742 1.00 40.25 C ATOM 1553 CD LYS A 98 19.063 -29.267 -14.508 1.00 55.24 C ATOM 1554 CE LYS A 98 20.302 -29.579 -13.683 1.00 5.11 C ATOM 1555 NZ LYS A 98 21.551 -29.158 -14.378 1.00 12.51 N1+ ATOM 0 H LYS A 98 17.172 -24.762 -14.373 1.00 52.24 H new ATOM 0 HA LYS A 98 17.321 -26.525 -12.175 1.00 24.14 H new ATOM 0 HB2 LYS A 98 17.748 -26.624 -14.909 1.00 22.22 H new ATOM 0 HB3 LYS A 98 19.381 -26.765 -14.289 1.00 22.22 H new ATOM 0 HG2 LYS A 98 18.200 -28.564 -12.673 1.00 40.25 H new ATOM 0 HG3 LYS A 98 17.070 -28.646 -14.009 1.00 40.25 H new ATOM 0 HD2 LYS A 98 18.567 -30.196 -14.787 1.00 55.24 H new ATOM 0 HD3 LYS A 98 19.356 -28.772 -15.434 1.00 55.24 H new ATOM 0 HE2 LYS A 98 20.234 -29.073 -12.720 1.00 5.11 H new ATOM 0 HE3 LYS A 98 20.343 -30.649 -13.479 1.00 5.11 H new ATOM 0 HZ1 LYS A 98 22.373 -29.388 -13.784 1.00 12.51 H new ATOM 0 HZ2 LYS A 98 21.629 -29.659 -15.286 1.00 12.51 H new ATOM 0 HZ3 LYS A 98 21.524 -28.133 -14.550 1.00 12.51 H new ATOM 1569 N GLU A 99 19.886 -24.523 -12.621 1.00 22.42 N ATOM 1570 CA GLU A 99 21.109 -24.023 -12.002 1.00 73.20 C ATOM 1571 C GLU A 99 20.789 -23.187 -10.765 1.00 30.15 C ATOM 1572 O GLU A 99 21.362 -23.395 -9.697 1.00 44.44 O ATOM 1573 CB GLU A 99 21.909 -23.188 -13.003 1.00 44.32 C ATOM 1574 CG GLU A 99 22.789 -24.018 -13.922 1.00 15.42 C ATOM 1575 CD GLU A 99 23.674 -23.167 -14.810 1.00 63.42 C ATOM 1576 OE1 GLU A 99 24.451 -22.353 -14.267 1.00 60.51 O ATOM 1577 OE2 GLU A 99 23.591 -23.312 -16.047 1.00 41.40 O1- ATOM 0 H GLU A 99 19.589 -24.005 -13.448 1.00 22.42 H new ATOM 0 HA GLU A 99 21.708 -24.880 -11.695 1.00 73.20 H new ATOM 0 HB2 GLU A 99 21.218 -22.601 -13.608 1.00 44.32 H new ATOM 0 HB3 GLU A 99 22.534 -22.481 -12.457 1.00 44.32 H new ATOM 0 HG2 GLU A 99 23.413 -24.679 -13.321 1.00 15.42 H new ATOM 0 HG3 GLU A 99 22.159 -24.653 -14.545 1.00 15.42 H new ATOM 1584 N ALA A 100 19.870 -22.239 -10.921 1.00 42.15 N ATOM 1585 CA ALA A 100 19.474 -21.372 -9.819 1.00 72.31 C ATOM 1586 C ALA A 100 19.088 -22.188 -8.590 1.00 52.21 C ATOM 1587 O ALA A 100 19.260 -21.741 -7.455 1.00 13.30 O ATOM 1588 CB ALA A 100 18.321 -20.474 -10.242 1.00 41.31 C ATOM 0 H ALA A 100 19.386 -22.053 -11.800 1.00 42.15 H new ATOM 0 HA ALA A 100 20.328 -20.748 -9.555 1.00 72.31 H new ATOM 0 HB1 ALA A 100 18.036 -19.832 -9.409 1.00 41.31 H new ATOM 0 HB2 ALA A 100 18.631 -19.858 -11.086 1.00 41.31 H new ATOM 0 HB3 ALA A 100 17.470 -21.089 -10.535 1.00 41.31 H new ATOM 1594 N LEU A 101 18.563 -23.386 -8.823 1.00 43.33 N ATOM 1595 CA LEU A 101 18.152 -24.266 -7.733 1.00 33.15 C ATOM 1596 C LEU A 101 19.356 -24.961 -7.109 1.00 24.12 C ATOM 1597 O LEU A 101 19.453 -25.081 -5.887 1.00 21.24 O ATOM 1598 CB LEU A 101 17.155 -25.309 -8.243 1.00 30.54 C ATOM 1599 CG LEU A 101 15.733 -24.808 -8.499 1.00 14.44 C ATOM 1600 CD1 LEU A 101 14.855 -25.938 -9.016 1.00 13.01 C ATOM 1601 CD2 LEU A 101 15.142 -24.208 -7.233 1.00 35.41 C ATOM 0 H LEU A 101 18.412 -23.770 -9.756 1.00 43.33 H new ATOM 0 HA LEU A 101 17.672 -23.656 -6.968 1.00 33.15 H new ATOM 0 HB2 LEU A 101 17.543 -25.730 -9.170 1.00 30.54 H new ATOM 0 HB3 LEU A 101 17.108 -26.122 -7.519 1.00 30.54 H new ATOM 0 HG LEU A 101 15.774 -24.029 -9.260 1.00 14.44 H new ATOM 0 HD11 LEU A 101 13.847 -25.564 -9.193 1.00 13.01 H new ATOM 0 HD12 LEU A 101 15.268 -26.322 -9.949 1.00 13.01 H new ATOM 0 HD13 LEU A 101 14.820 -26.739 -8.277 1.00 13.01 H new ATOM 0 HD21 LEU A 101 14.130 -23.857 -7.435 1.00 35.41 H new ATOM 0 HD22 LEU A 101 15.114 -24.966 -6.450 1.00 35.41 H new ATOM 0 HD23 LEU A 101 15.758 -23.370 -6.905 1.00 35.41 H new ATOM 1613 N ASP A 102 20.275 -25.415 -7.954 1.00 23.13 N ATOM 1614 CA ASP A 102 21.477 -26.095 -7.486 1.00 71.51 C ATOM 1615 C ASP A 102 22.314 -25.173 -6.604 1.00 12.44 C ATOM 1616 O ASP A 102 22.908 -25.609 -5.618 1.00 5.22 O ATOM 1617 CB ASP A 102 22.309 -26.581 -8.673 1.00 41.11 C ATOM 1618 CG ASP A 102 23.644 -27.160 -8.246 1.00 51.30 C ATOM 1619 OD1 ASP A 102 23.673 -28.338 -7.830 1.00 20.13 O1- ATOM 1620 OD2 ASP A 102 24.659 -26.436 -8.325 1.00 13.13 O ATOM 0 H ASP A 102 20.210 -25.324 -8.968 1.00 23.13 H new ATOM 0 HA ASP A 102 21.170 -26.956 -6.892 1.00 71.51 H new ATOM 0 HB2 ASP A 102 21.747 -27.337 -9.222 1.00 41.11 H new ATOM 0 HB3 ASP A 102 22.479 -25.751 -9.358 1.00 41.11 H new ATOM 1625 N LYS A 103 22.358 -23.895 -6.968 1.00 52.51 N ATOM 1626 CA LYS A 103 23.122 -22.910 -6.211 1.00 13.23 C ATOM 1627 C LYS A 103 22.534 -22.720 -4.817 1.00 42.40 C ATOM 1628 O LYS A 103 23.265 -22.667 -3.828 1.00 63.05 O ATOM 1629 CB LYS A 103 23.145 -21.572 -6.954 1.00 14.53 C ATOM 1630 CG LYS A 103 24.486 -21.253 -7.592 1.00 13.31 C ATOM 1631 CD LYS A 103 25.037 -19.928 -7.096 1.00 22.40 C ATOM 1632 CE LYS A 103 26.558 -19.923 -7.093 1.00 52.23 C ATOM 1633 NZ LYS A 103 27.114 -19.115 -8.214 1.00 75.33 N1+ ATOM 0 H LYS A 103 21.874 -23.518 -7.782 1.00 52.51 H new ATOM 0 HA LYS A 103 24.142 -23.279 -6.108 1.00 13.23 H new ATOM 0 HB2 LYS A 103 22.377 -21.583 -7.728 1.00 14.53 H new ATOM 0 HB3 LYS A 103 22.885 -20.775 -6.258 1.00 14.53 H new ATOM 0 HG2 LYS A 103 25.195 -22.050 -7.368 1.00 13.31 H new ATOM 0 HG3 LYS A 103 24.376 -21.220 -8.676 1.00 13.31 H new ATOM 0 HD2 LYS A 103 24.671 -19.120 -7.730 1.00 22.40 H new ATOM 0 HD3 LYS A 103 24.669 -19.734 -6.088 1.00 22.40 H new ATOM 0 HE2 LYS A 103 26.918 -19.524 -6.145 1.00 52.23 H new ATOM 0 HE3 LYS A 103 26.924 -20.947 -7.167 1.00 52.23 H new ATOM 0 HZ1 LYS A 103 28.153 -19.137 -8.176 1.00 75.33 H new ATOM 0 HZ2 LYS A 103 26.792 -19.511 -9.120 1.00 75.33 H new ATOM 0 HZ3 LYS A 103 26.786 -18.132 -8.129 1.00 75.33 H new ATOM 1647 N ILE A 104 21.212 -22.620 -4.745 1.00 12.12 N ATOM 1648 CA ILE A 104 20.527 -22.439 -3.471 1.00 0.54 C ATOM 1649 C ILE A 104 20.580 -23.711 -2.632 1.00 4.44 C ATOM 1650 O ILE A 104 20.620 -23.655 -1.405 1.00 41.44 O ATOM 1651 CB ILE A 104 19.055 -22.034 -3.676 1.00 23.24 C ATOM 1652 CG1 ILE A 104 18.967 -20.755 -4.511 1.00 64.31 C ATOM 1653 CG2 ILE A 104 18.367 -21.844 -2.333 1.00 54.20 C ATOM 1654 CD1 ILE A 104 17.577 -20.471 -5.037 1.00 43.01 C ATOM 0 H ILE A 104 20.593 -22.661 -5.554 1.00 12.12 H new ATOM 0 HA ILE A 104 21.046 -21.638 -2.945 1.00 0.54 H new ATOM 0 HB ILE A 104 18.545 -22.833 -4.214 1.00 23.24 H new ATOM 0 HG12 ILE A 104 19.297 -19.911 -3.904 1.00 64.31 H new ATOM 0 HG13 ILE A 104 19.656 -20.832 -5.352 1.00 64.31 H new ATOM 0 HG21 ILE A 104 17.328 -21.558 -2.494 1.00 54.20 H new ATOM 0 HG22 ILE A 104 18.404 -22.777 -1.770 1.00 54.20 H new ATOM 0 HG23 ILE A 104 18.876 -21.061 -1.771 1.00 54.20 H new ATOM 0 HD11 ILE A 104 17.590 -19.550 -5.620 1.00 43.01 H new ATOM 0 HD12 ILE A 104 17.252 -21.296 -5.670 1.00 43.01 H new ATOM 0 HD13 ILE A 104 16.887 -20.362 -4.201 1.00 43.01 H new ATOM 1666 N GLU A 105 20.581 -24.858 -3.306 1.00 44.41 N ATOM 1667 CA GLU A 105 20.632 -26.145 -2.622 1.00 32.55 C ATOM 1668 C GLU A 105 22.000 -26.370 -1.985 1.00 74.23 C ATOM 1669 O GLU A 105 22.097 -26.852 -0.856 1.00 2.14 O ATOM 1670 CB GLU A 105 20.319 -27.280 -3.600 1.00 45.02 C ATOM 1671 CG GLU A 105 18.845 -27.644 -3.658 1.00 3.55 C ATOM 1672 CD GLU A 105 18.538 -28.947 -2.948 1.00 52.40 C ATOM 1673 OE1 GLU A 105 19.029 -29.137 -1.816 1.00 4.14 O1- ATOM 1674 OE2 GLU A 105 17.804 -29.779 -3.524 1.00 4.14 O ATOM 0 H GLU A 105 20.547 -24.922 -4.323 1.00 44.41 H new ATOM 0 HA GLU A 105 19.881 -26.138 -1.832 1.00 32.55 H new ATOM 0 HB2 GLU A 105 20.653 -26.992 -4.597 1.00 45.02 H new ATOM 0 HB3 GLU A 105 20.892 -28.162 -3.315 1.00 45.02 H new ATOM 0 HG2 GLU A 105 18.259 -26.843 -3.208 1.00 3.55 H new ATOM 0 HG3 GLU A 105 18.534 -27.720 -4.700 1.00 3.55 H new ATOM 1681 N GLU A 106 23.052 -26.017 -2.716 1.00 71.33 N ATOM 1682 CA GLU A 106 24.414 -26.181 -2.221 1.00 4.31 C ATOM 1683 C GLU A 106 24.640 -25.349 -0.963 1.00 62.23 C ATOM 1684 O GLU A 106 25.293 -25.797 -0.020 1.00 54.21 O ATOM 1685 CB GLU A 106 25.423 -25.779 -3.300 1.00 41.31 C ATOM 1686 CG GLU A 106 26.655 -26.667 -3.341 1.00 55.43 C ATOM 1687 CD GLU A 106 27.921 -25.926 -2.959 1.00 41.21 C ATOM 1688 OE1 GLU A 106 27.852 -25.049 -2.074 1.00 63.42 O1- ATOM 1689 OE2 GLU A 106 28.983 -26.224 -3.546 1.00 71.04 O ATOM 0 H GLU A 106 22.988 -25.616 -3.652 1.00 71.33 H new ATOM 0 HA GLU A 106 24.559 -27.232 -1.971 1.00 4.31 H new ATOM 0 HB2 GLU A 106 24.932 -25.807 -4.273 1.00 41.31 H new ATOM 0 HB3 GLU A 106 25.734 -24.748 -3.129 1.00 41.31 H new ATOM 0 HG2 GLU A 106 26.514 -27.510 -2.664 1.00 55.43 H new ATOM 0 HG3 GLU A 106 26.768 -27.079 -4.344 1.00 55.43 H new ATOM 1696 N GLU A 107 24.097 -24.137 -0.956 1.00 21.44 N ATOM 1697 CA GLU A 107 24.241 -23.241 0.186 1.00 43.33 C ATOM 1698 C GLU A 107 23.637 -23.861 1.443 1.00 12.15 C ATOM 1699 O GLU A 107 24.071 -23.574 2.559 1.00 15.43 O ATOM 1700 CB GLU A 107 23.573 -21.896 -0.104 1.00 12.22 C ATOM 1701 CG GLU A 107 23.816 -20.851 0.973 1.00 22.05 C ATOM 1702 CD GLU A 107 22.778 -19.745 0.955 1.00 65.44 C ATOM 1703 OE1 GLU A 107 21.902 -19.766 0.067 1.00 63.11 O1- ATOM 1704 OE2 GLU A 107 22.845 -18.858 1.832 1.00 34.41 O ATOM 0 H GLU A 107 23.553 -23.752 -1.728 1.00 21.44 H new ATOM 0 HA GLU A 107 25.305 -23.080 0.356 1.00 43.33 H new ATOM 0 HB2 GLU A 107 23.940 -21.515 -1.057 1.00 12.22 H new ATOM 0 HB3 GLU A 107 22.499 -22.049 -0.214 1.00 12.22 H new ATOM 0 HG2 GLU A 107 23.811 -21.333 1.950 1.00 22.05 H new ATOM 0 HG3 GLU A 107 24.807 -20.417 0.837 1.00 22.05 H new ATOM 1711 N GLN A 108 22.633 -24.711 1.252 1.00 4.41 N ATOM 1712 CA GLN A 108 21.968 -25.371 2.370 1.00 22.13 C ATOM 1713 C GLN A 108 22.669 -26.678 2.725 1.00 63.23 C ATOM 1714 O GLN A 108 22.642 -27.114 3.875 1.00 53.24 O ATOM 1715 CB GLN A 108 20.501 -25.641 2.030 1.00 43.34 C ATOM 1716 CG GLN A 108 19.683 -26.127 3.215 1.00 33.22 C ATOM 1717 CD GLN A 108 19.213 -24.993 4.106 1.00 4.11 C ATOM 1718 OE1 GLN A 108 18.803 -23.938 3.622 1.00 35.24 O ATOM 1719 NE2 GLN A 108 19.273 -25.205 5.415 1.00 2.45 N ATOM 0 H GLN A 108 22.262 -24.959 0.335 1.00 4.41 H new ATOM 0 HA GLN A 108 22.017 -24.707 3.233 1.00 22.13 H new ATOM 0 HB2 GLN A 108 20.053 -24.727 1.640 1.00 43.34 H new ATOM 0 HB3 GLN A 108 20.452 -26.385 1.235 1.00 43.34 H new ATOM 0 HG2 GLN A 108 18.817 -26.681 2.851 1.00 33.22 H new ATOM 0 HG3 GLN A 108 20.281 -26.822 3.804 1.00 33.22 H new ATOM 0 HE21 GLN A 108 19.620 -26.095 5.772 1.00 2.45 H new ATOM 0 HE22 GLN A 108 18.972 -24.478 6.064 1.00 2.45 H new ATOM 1728 N ASN A 109 23.296 -27.297 1.731 1.00 63.32 N ATOM 1729 CA ASN A 109 24.004 -28.555 1.940 1.00 65.02 C ATOM 1730 C ASN A 109 25.074 -28.406 3.018 1.00 23.23 C ATOM 1731 O ASN A 109 25.109 -29.168 3.983 1.00 44.32 O ATOM 1732 CB ASN A 109 24.644 -29.027 0.632 1.00 73.34 C ATOM 1733 CG ASN A 109 25.014 -30.497 0.668 1.00 12.22 C ATOM 1734 OD1 ASN A 109 24.189 -31.348 1.003 1.00 32.10 O ATOM 1735 ND2 ASN A 109 26.258 -30.803 0.321 1.00 62.13 N ATOM 0 H ASN A 109 23.329 -26.949 0.773 1.00 63.32 H new ATOM 0 HA ASN A 109 23.280 -29.299 2.273 1.00 65.02 H new ATOM 0 HB2 ASN A 109 23.953 -28.849 -0.192 1.00 73.34 H new ATOM 0 HB3 ASN A 109 25.537 -28.435 0.433 1.00 73.34 H new ATOM 0 HD21 ASN A 109 26.564 -31.776 0.325 1.00 62.13 H new ATOM 0 HD22 ASN A 109 26.908 -30.065 0.050 1.00 62.13 H new ATOM 1742 N LYS A 110 25.945 -27.416 2.846 1.00 14.24 N ATOM 1743 CA LYS A 110 27.015 -27.164 3.803 1.00 34.32 C ATOM 1744 C LYS A 110 26.448 -26.904 5.195 1.00 41.34 C ATOM 1745 O LYS A 110 27.051 -27.282 6.200 1.00 54.13 O ATOM 1746 CB LYS A 110 27.858 -25.968 3.354 1.00 13.35 C ATOM 1747 CG LYS A 110 28.882 -26.314 2.286 1.00 13.24 C ATOM 1748 CD LYS A 110 30.287 -25.927 2.715 1.00 51.51 C ATOM 1749 CE LYS A 110 31.243 -25.895 1.533 1.00 11.52 C ATOM 1750 NZ LYS A 110 31.847 -27.231 1.272 1.00 0.52 N1+ ATOM 0 H LYS A 110 25.930 -26.776 2.052 1.00 14.24 H new ATOM 0 HA LYS A 110 27.647 -28.051 3.846 1.00 34.32 H new ATOM 0 HB2 LYS A 110 27.196 -25.190 2.973 1.00 13.35 H new ATOM 0 HB3 LYS A 110 28.374 -25.552 4.219 1.00 13.35 H new ATOM 0 HG2 LYS A 110 28.846 -27.383 2.078 1.00 13.24 H new ATOM 0 HG3 LYS A 110 28.629 -25.800 1.358 1.00 13.24 H new ATOM 0 HD2 LYS A 110 30.266 -24.948 3.193 1.00 51.51 H new ATOM 0 HD3 LYS A 110 30.650 -26.637 3.458 1.00 51.51 H new ATOM 0 HE2 LYS A 110 30.710 -25.557 0.644 1.00 11.52 H new ATOM 0 HE3 LYS A 110 32.034 -25.170 1.725 1.00 11.52 H new ATOM 0 HZ1 LYS A 110 32.492 -27.167 0.459 1.00 0.52 H new ATOM 0 HZ2 LYS A 110 32.377 -27.542 2.111 1.00 0.52 H new ATOM 0 HZ3 LYS A 110 31.094 -27.918 1.063 1.00 0.52 H new ATOM 1764 N SER A 111 25.288 -26.258 5.247 1.00 53.31 N ATOM 1765 CA SER A 111 24.642 -25.947 6.517 1.00 2.22 C ATOM 1766 C SER A 111 24.019 -27.197 7.131 1.00 2.31 C ATOM 1767 O SER A 111 23.889 -27.307 8.350 1.00 34.31 O ATOM 1768 CB SER A 111 23.570 -24.874 6.318 1.00 74.23 C ATOM 1769 OG SER A 111 24.096 -23.579 6.550 1.00 70.33 O ATOM 0 H SER A 111 24.776 -25.940 4.424 1.00 53.31 H new ATOM 0 HA SER A 111 25.403 -25.569 7.200 1.00 2.22 H new ATOM 0 HB2 SER A 111 23.175 -24.933 5.304 1.00 74.23 H new ATOM 0 HB3 SER A 111 22.736 -25.058 6.996 1.00 74.23 H new ATOM 0 HG SER A 111 23.392 -22.911 6.415 1.00 70.33 H new ATOM 1775 N LYS A 112 23.635 -28.139 6.276 1.00 74.13 N ATOM 1776 CA LYS A 112 23.026 -29.384 6.731 1.00 32.11 C ATOM 1777 C LYS A 112 24.049 -30.262 7.444 1.00 4.31 C ATOM 1778 O LYS A 112 23.868 -30.628 8.605 1.00 23.32 O ATOM 1779 CB LYS A 112 22.422 -30.143 5.547 1.00 42.34 C ATOM 1780 CG LYS A 112 21.947 -31.542 5.901 1.00 42.31 C ATOM 1781 CD LYS A 112 20.654 -31.889 5.182 1.00 72.23 C ATOM 1782 CE LYS A 112 20.451 -33.394 5.097 1.00 33.21 C ATOM 1783 NZ LYS A 112 20.308 -34.012 6.445 1.00 12.24 N1+ ATOM 0 H LYS A 112 23.735 -28.064 5.264 1.00 74.13 H new ATOM 0 HA LYS A 112 22.234 -29.135 7.437 1.00 32.11 H new ATOM 0 HB2 LYS A 112 21.582 -29.572 5.151 1.00 42.34 H new ATOM 0 HB3 LYS A 112 23.165 -30.211 4.752 1.00 42.34 H new ATOM 0 HG2 LYS A 112 22.717 -32.267 5.637 1.00 42.31 H new ATOM 0 HG3 LYS A 112 21.797 -31.615 6.978 1.00 42.31 H new ATOM 0 HD2 LYS A 112 19.812 -31.436 5.706 1.00 72.23 H new ATOM 0 HD3 LYS A 112 20.670 -31.465 4.178 1.00 72.23 H new ATOM 0 HE2 LYS A 112 19.562 -33.608 4.504 1.00 33.21 H new ATOM 0 HE3 LYS A 112 21.297 -33.846 4.578 1.00 33.21 H new ATOM 0 HZ1 LYS A 112 20.155 -35.036 6.343 1.00 12.24 H new ATOM 0 HZ2 LYS A 112 21.173 -33.845 6.997 1.00 12.24 H new ATOM 0 HZ3 LYS A 112 19.496 -33.588 6.937 1.00 12.24 H new ATOM 1797 N LYS A 113 25.127 -30.595 6.741 1.00 41.25 N ATOM 1798 CA LYS A 113 26.182 -31.428 7.306 1.00 50.21 C ATOM 1799 C LYS A 113 26.807 -30.760 8.527 1.00 21.31 C ATOM 1800 O LYS A 113 27.300 -31.433 9.432 1.00 44.14 O ATOM 1801 CB LYS A 113 27.260 -31.705 6.255 1.00 34.01 C ATOM 1802 CG LYS A 113 27.753 -30.456 5.546 1.00 40.02 C ATOM 1803 CD LYS A 113 29.240 -30.539 5.242 1.00 10.24 C ATOM 1804 CE LYS A 113 30.078 -30.334 6.493 1.00 63.33 C ATOM 1805 NZ LYS A 113 31.508 -30.684 6.267 1.00 41.20 N1+ ATOM 0 H LYS A 113 25.293 -30.300 5.779 1.00 41.25 H new ATOM 0 HA LYS A 113 25.737 -32.373 7.618 1.00 50.21 H new ATOM 0 HB2 LYS A 113 28.105 -32.198 6.735 1.00 34.01 H new ATOM 0 HB3 LYS A 113 26.864 -32.400 5.515 1.00 34.01 H new ATOM 0 HG2 LYS A 113 27.198 -30.320 4.618 1.00 40.02 H new ATOM 0 HG3 LYS A 113 27.556 -29.582 6.167 1.00 40.02 H new ATOM 0 HD2 LYS A 113 29.469 -31.511 4.805 1.00 10.24 H new ATOM 0 HD3 LYS A 113 29.503 -29.786 4.499 1.00 10.24 H new ATOM 0 HE2 LYS A 113 30.005 -29.295 6.813 1.00 63.33 H new ATOM 0 HE3 LYS A 113 29.678 -30.945 7.302 1.00 63.33 H new ATOM 0 HZ1 LYS A 113 32.046 -30.530 7.144 1.00 41.20 H new ATOM 0 HZ2 LYS A 113 31.581 -31.683 5.987 1.00 41.20 H new ATOM 0 HZ3 LYS A 113 31.897 -30.083 5.513 1.00 41.20 H new ATOM 1819 N LYS A 114 26.783 -29.432 8.546 1.00 10.23 N ATOM 1820 CA LYS A 114 27.345 -28.671 9.656 1.00 35.13 C ATOM 1821 C LYS A 114 26.632 -29.009 10.962 1.00 20.42 C ATOM 1822 O LYS A 114 27.250 -29.045 12.026 1.00 12.04 O ATOM 1823 CB LYS A 114 27.239 -27.170 9.378 1.00 53.22 C ATOM 1824 CG LYS A 114 28.529 -26.555 8.865 1.00 31.20 C ATOM 1825 CD LYS A 114 29.269 -25.812 9.966 1.00 3.14 C ATOM 1826 CE LYS A 114 30.495 -25.091 9.425 1.00 12.51 C ATOM 1827 NZ LYS A 114 31.555 -26.046 8.997 1.00 64.32 N1+ ATOM 0 H LYS A 114 26.380 -28.859 7.804 1.00 10.23 H new ATOM 0 HA LYS A 114 28.396 -28.942 9.755 1.00 35.13 H new ATOM 0 HB2 LYS A 114 26.449 -26.999 8.647 1.00 53.22 H new ATOM 0 HB3 LYS A 114 26.942 -26.659 10.294 1.00 53.22 H new ATOM 0 HG2 LYS A 114 29.170 -27.337 8.459 1.00 31.20 H new ATOM 0 HG3 LYS A 114 28.306 -25.869 8.048 1.00 31.20 H new ATOM 0 HD2 LYS A 114 28.599 -25.091 10.434 1.00 3.14 H new ATOM 0 HD3 LYS A 114 29.572 -26.516 10.741 1.00 3.14 H new ATOM 0 HE2 LYS A 114 30.206 -24.466 8.580 1.00 12.51 H new ATOM 0 HE3 LYS A 114 30.893 -24.426 10.191 1.00 12.51 H new ATOM 0 HZ1 LYS A 114 32.387 -25.516 8.666 1.00 64.32 H new ATOM 0 HZ2 LYS A 114 31.825 -26.648 9.801 1.00 64.32 H new ATOM 0 HZ3 LYS A 114 31.194 -26.642 8.224 1.00 64.32 H new ATOM 1841 N ALA A 115 25.329 -29.256 10.873 1.00 41.30 N ATOM 1842 CA ALA A 115 24.534 -29.595 12.047 1.00 64.40 C ATOM 1843 C ALA A 115 24.801 -31.027 12.497 1.00 34.53 C ATOM 1844 O ALA A 115 24.689 -31.346 13.680 1.00 13.23 O ATOM 1845 CB ALA A 115 23.053 -29.396 11.757 1.00 65.02 C ATOM 0 H ALA A 115 24.802 -29.228 10.000 1.00 41.30 H new ATOM 0 HA ALA A 115 24.826 -28.928 12.858 1.00 64.40 H new ATOM 0 HB1 ALA A 115 22.471 -29.653 12.642 1.00 65.02 H new ATOM 0 HB2 ALA A 115 22.871 -28.354 11.493 1.00 65.02 H new ATOM 0 HB3 ALA A 115 22.755 -30.038 10.928 1.00 65.02 H new ATOM 1851 N GLN A 116 25.151 -31.885 11.544 1.00 55.33 N ATOM 1852 CA GLN A 116 25.431 -33.285 11.844 1.00 33.35 C ATOM 1853 C GLN A 116 26.932 -33.553 11.838 1.00 2.25 C ATOM 1854 O GLN A 116 27.370 -34.675 11.588 1.00 11.43 O ATOM 1855 CB GLN A 116 24.734 -34.194 10.829 1.00 75.21 C ATOM 1856 CG GLN A 116 24.202 -35.484 11.434 1.00 32.52 C ATOM 1857 CD GLN A 116 22.980 -36.009 10.705 1.00 70.24 C ATOM 1858 OE1 GLN A 116 21.847 -35.672 11.048 1.00 20.41 O ATOM 1859 NE2 GLN A 116 23.205 -36.840 9.695 1.00 10.31 N ATOM 0 H GLN A 116 25.247 -31.636 10.559 1.00 55.33 H new ATOM 0 HA GLN A 116 25.046 -33.502 12.840 1.00 33.35 H new ATOM 0 HB2 GLN A 116 23.908 -33.649 10.372 1.00 75.21 H new ATOM 0 HB3 GLN A 116 25.435 -34.438 10.031 1.00 75.21 H new ATOM 0 HG2 GLN A 116 24.986 -36.241 11.413 1.00 32.52 H new ATOM 0 HG3 GLN A 116 23.951 -35.314 12.481 1.00 32.52 H new ATOM 0 HE21 GLN A 116 24.161 -37.092 9.445 1.00 10.31 H new ATOM 0 HE22 GLN A 116 22.422 -37.227 9.168 1.00 10.31 H new ATOM 1868 N GLN A 117 27.714 -32.515 12.113 1.00 64.34 N ATOM 1869 CA GLN A 117 29.167 -32.639 12.139 1.00 11.43 C ATOM 1870 C GLN A 117 29.636 -33.274 13.443 1.00 63.14 C ATOM 1871 O GLN A 117 30.620 -34.013 13.466 1.00 65.13 O ATOM 1872 CB GLN A 117 29.821 -31.268 11.960 1.00 73.22 C ATOM 1873 CG GLN A 117 31.274 -31.339 11.522 1.00 3.14 C ATOM 1874 CD GLN A 117 31.975 -29.996 11.603 1.00 55.01 C ATOM 1875 OE1 GLN A 117 31.747 -29.220 12.532 1.00 2.44 O ATOM 1876 NE2 GLN A 117 32.833 -29.716 10.630 1.00 3.24 N ATOM 0 H GLN A 117 27.367 -31.579 12.321 1.00 64.34 H new ATOM 0 HA GLN A 117 29.466 -33.286 11.314 1.00 11.43 H new ATOM 0 HB2 GLN A 117 29.255 -30.699 11.222 1.00 73.22 H new ATOM 0 HB3 GLN A 117 29.760 -30.720 12.900 1.00 73.22 H new ATOM 0 HG2 GLN A 117 31.803 -32.059 12.147 1.00 3.14 H new ATOM 0 HG3 GLN A 117 31.323 -31.709 10.498 1.00 3.14 H new ATOM 0 HE21 GLN A 117 32.991 -30.389 9.880 1.00 3.24 H new ATOM 0 HE22 GLN A 117 33.335 -28.828 10.632 1.00 3.24 H new ATOM 1885 N ALA A 118 28.927 -32.981 14.528 1.00 20.05 N ATOM 1886 CA ALA A 118 29.270 -33.524 15.835 1.00 72.12 C ATOM 1887 C ALA A 118 28.809 -34.972 15.966 1.00 61.43 C ATOM 1888 O ALA A 118 29.478 -35.791 16.596 1.00 2.14 O ATOM 1889 CB ALA A 118 28.658 -32.673 16.938 1.00 64.44 C ATOM 0 H ALA A 118 28.111 -32.370 14.527 1.00 20.05 H new ATOM 0 HA ALA A 118 30.355 -33.504 15.935 1.00 72.12 H new ATOM 0 HB1 ALA A 118 28.923 -33.091 17.909 1.00 64.44 H new ATOM 0 HB2 ALA A 118 29.039 -31.654 16.865 1.00 64.44 H new ATOM 0 HB3 ALA A 118 27.573 -32.663 16.831 1.00 64.44 H new ATOM 1895 N ALA A 119 27.662 -35.279 15.369 1.00 43.50 N ATOM 1896 CA ALA A 119 27.113 -36.629 15.418 1.00 44.40 C ATOM 1897 C ALA A 119 27.649 -37.481 14.272 1.00 75.41 C ATOM 1898 O ALA A 119 26.897 -37.892 13.389 1.00 54.43 O ATOM 1899 CB ALA A 119 25.594 -36.583 15.379 1.00 62.44 C ATOM 0 H ALA A 119 27.095 -34.612 14.846 1.00 43.50 H new ATOM 0 HA ALA A 119 27.427 -37.089 16.355 1.00 44.40 H new ATOM 0 HB1 ALA A 119 25.198 -37.598 15.416 1.00 62.44 H new ATOM 0 HB2 ALA A 119 25.225 -36.018 16.235 1.00 62.44 H new ATOM 0 HB3 ALA A 119 25.268 -36.100 14.458 1.00 62.44 H new ATOM 1905 N ALA A 120 28.952 -37.742 14.293 1.00 0.03 N ATOM 1906 CA ALA A 120 29.586 -38.546 13.255 1.00 75.12 C ATOM 1907 C ALA A 120 30.856 -39.211 13.776 1.00 61.20 C ATOM 1908 O ALA A 120 31.764 -39.524 13.006 1.00 62.13 O ATOM 1909 CB ALA A 120 29.898 -37.687 12.039 1.00 5.31 C ATOM 0 H ALA A 120 29.589 -37.409 15.017 1.00 0.03 H new ATOM 0 HA ALA A 120 28.890 -39.332 12.962 1.00 75.12 H new ATOM 0 HB1 ALA A 120 30.371 -38.300 11.272 1.00 5.31 H new ATOM 0 HB2 ALA A 120 28.974 -37.263 11.646 1.00 5.31 H new ATOM 0 HB3 ALA A 120 30.573 -36.881 12.326 1.00 5.31 H new ATOM 1915 N ASP A 121 30.912 -39.423 15.087 1.00 0.34 N ATOM 1916 CA ASP A 121 32.071 -40.051 15.710 1.00 12.23 C ATOM 1917 C ASP A 121 31.651 -41.253 16.550 1.00 71.43 C ATOM 1918 O ASP A 121 32.055 -41.387 17.706 1.00 42.41 O ATOM 1919 CB ASP A 121 32.819 -39.040 16.580 1.00 40.14 C ATOM 1920 CG ASP A 121 34.225 -39.497 16.920 1.00 21.33 C ATOM 1921 OD1 ASP A 121 35.086 -39.485 16.016 1.00 4.40 O1- ATOM 1922 OD2 ASP A 121 34.462 -39.866 18.088 1.00 40.43 O ATOM 0 H ASP A 121 30.169 -39.169 15.738 1.00 0.34 H new ATOM 0 HA ASP A 121 32.735 -40.398 14.919 1.00 12.23 H new ATOM 0 HB2 ASP A 121 32.867 -38.083 16.060 1.00 40.14 H new ATOM 0 HB3 ASP A 121 32.261 -38.875 17.502 1.00 40.14 H new ATOM 1927 N THR A 122 30.836 -42.124 15.964 1.00 22.03 N ATOM 1928 CA THR A 122 30.359 -43.313 16.659 1.00 72.32 C ATOM 1929 C THR A 122 31.190 -44.536 16.290 1.00 4.23 C ATOM 1930 O THR A 122 31.888 -44.541 15.276 1.00 13.32 O ATOM 1931 CB THR A 122 28.879 -43.595 16.339 1.00 23.02 C ATOM 1932 OG1 THR A 122 28.627 -43.369 14.947 1.00 64.30 O ATOM 1933 CG2 THR A 122 27.966 -42.711 17.175 1.00 11.14 C ATOM 0 H THR A 122 30.492 -42.028 15.009 1.00 22.03 H new ATOM 0 HA THR A 122 30.461 -43.117 17.726 1.00 72.32 H new ATOM 0 HB THR A 122 28.670 -44.637 16.581 1.00 23.02 H new ATOM 0 HG1 THR A 122 27.684 -43.552 14.751 1.00 64.30 H new ATOM 0 HG21 THR A 122 26.926 -42.928 16.931 1.00 11.14 H new ATOM 0 HG22 THR A 122 28.139 -42.907 18.233 1.00 11.14 H new ATOM 0 HG23 THR A 122 28.178 -41.663 16.960 1.00 11.14 H new ATOM 1941 N GLY A 123 31.110 -45.572 17.118 1.00 15.51 N ATOM 1942 CA GLY A 123 31.859 -46.788 16.860 1.00 42.14 C ATOM 1943 C GLY A 123 31.273 -47.601 15.722 1.00 72.23 C ATOM 1944 O GLY A 123 30.534 -47.075 14.892 1.00 31.54 O ATOM 0 H GLY A 123 30.540 -45.591 17.963 1.00 15.51 H new ATOM 0 HA2 GLY A 123 32.892 -46.532 16.625 1.00 42.14 H new ATOM 0 HA3 GLY A 123 31.880 -47.397 17.764 1.00 42.14 H new ATOM 1948 N ASN A 124 31.605 -48.888 15.684 1.00 21.45 N ATOM 1949 CA ASN A 124 31.107 -49.774 14.638 1.00 22.53 C ATOM 1950 C ASN A 124 29.703 -50.272 14.968 1.00 60.53 C ATOM 1951 O ASN A 124 29.521 -51.416 15.383 1.00 24.14 O ATOM 1952 CB ASN A 124 32.052 -50.963 14.457 1.00 1.14 C ATOM 1953 CG ASN A 124 33.437 -50.537 14.007 1.00 14.43 C ATOM 1954 OD1 ASN A 124 33.637 -50.154 12.854 1.00 5.42 O ATOM 1955 ND2 ASN A 124 34.401 -50.603 14.918 1.00 60.02 N ATOM 0 H ASN A 124 32.216 -49.340 16.365 1.00 21.45 H new ATOM 0 HA ASN A 124 31.062 -49.208 13.708 1.00 22.53 H new ATOM 0 HB2 ASN A 124 32.130 -51.508 15.398 1.00 1.14 H new ATOM 0 HB3 ASN A 124 31.630 -51.651 13.724 1.00 1.14 H new ATOM 0 HD21 ASN A 124 35.353 -50.330 14.674 1.00 60.02 H new ATOM 0 HD22 ASN A 124 34.189 -50.927 15.862 1.00 60.02 H new ATOM 1962 N ASN A 125 28.714 -49.403 14.782 1.00 64.10 N ATOM 1963 CA ASN A 125 27.327 -49.754 15.060 1.00 55.31 C ATOM 1964 C ASN A 125 26.372 -48.890 14.241 1.00 51.21 C ATOM 1965 O ASN A 125 25.312 -48.492 14.722 1.00 61.21 O ATOM 1966 CB ASN A 125 27.027 -49.591 16.552 1.00 12.43 C ATOM 1967 CG ASN A 125 27.501 -48.257 17.095 1.00 0.23 C ATOM 1968 OD1 ASN A 125 26.728 -47.303 17.192 1.00 12.52 O ATOM 1969 ND2 ASN A 125 28.777 -48.183 17.452 1.00 41.51 N ATOM 0 H ASN A 125 28.848 -48.451 14.440 1.00 64.10 H new ATOM 0 HA ASN A 125 27.179 -50.796 14.778 1.00 55.31 H new ATOM 0 HB2 ASN A 125 25.954 -49.686 16.716 1.00 12.43 H new ATOM 0 HB3 ASN A 125 27.507 -50.397 17.107 1.00 12.43 H new ATOM 0 HD21 ASN A 125 29.153 -47.311 17.824 1.00 41.51 H new ATOM 0 HD22 ASN A 125 29.382 -48.998 17.355 1.00 41.51 H new ATOM 1976 N SER A 126 26.757 -48.607 13.001 1.00 30.24 N ATOM 1977 CA SER A 126 25.937 -47.787 12.116 1.00 10.54 C ATOM 1978 C SER A 126 26.296 -48.041 10.655 1.00 24.44 C ATOM 1979 O SER A 126 27.445 -47.864 10.247 1.00 73.35 O ATOM 1980 CB SER A 126 26.115 -46.305 12.447 1.00 72.42 C ATOM 1981 OG SER A 126 25.579 -45.999 13.723 1.00 3.32 O ATOM 0 H SER A 126 27.630 -48.933 12.586 1.00 30.24 H new ATOM 0 HA SER A 126 24.893 -48.062 12.269 1.00 10.54 H new ATOM 0 HB2 SER A 126 27.174 -46.049 12.423 1.00 72.42 H new ATOM 0 HB3 SER A 126 25.623 -45.698 11.687 1.00 72.42 H new ATOM 0 HG SER A 126 25.132 -46.791 14.088 1.00 3.32 H new ATOM 1987 N GLN A 127 25.306 -48.455 9.871 1.00 54.14 N ATOM 1988 CA GLN A 127 25.517 -48.733 8.455 1.00 51.54 C ATOM 1989 C GLN A 127 24.458 -48.047 7.601 1.00 33.42 C ATOM 1990 O GLN A 127 23.357 -48.568 7.422 1.00 32.23 O ATOM 1991 CB GLN A 127 25.496 -50.241 8.202 1.00 11.10 C ATOM 1992 CG GLN A 127 26.568 -50.710 7.231 1.00 54.42 C ATOM 1993 CD GLN A 127 26.006 -51.074 5.872 1.00 2.35 C ATOM 1994 OE1 GLN A 127 26.078 -52.227 5.445 1.00 55.20 O ATOM 1995 NE2 GLN A 127 25.443 -50.090 5.181 1.00 32.11 N ATOM 0 H GLN A 127 24.350 -48.605 10.192 1.00 54.14 H new ATOM 0 HA GLN A 127 26.493 -48.338 8.175 1.00 51.54 H new ATOM 0 HB2 GLN A 127 25.624 -50.762 9.151 1.00 11.10 H new ATOM 0 HB3 GLN A 127 24.517 -50.522 7.813 1.00 11.10 H new ATOM 0 HG2 GLN A 127 27.314 -49.924 7.113 1.00 54.42 H new ATOM 0 HG3 GLN A 127 27.080 -51.575 7.652 1.00 54.42 H new ATOM 0 HE21 GLN A 127 25.405 -49.149 5.573 1.00 32.11 H new ATOM 0 HE22 GLN A 127 25.049 -50.275 4.259 1.00 32.11 H new ATOM 2004 N VAL A 128 24.796 -46.873 7.076 1.00 2.11 N ATOM 2005 CA VAL A 128 23.873 -46.115 6.240 1.00 35.20 C ATOM 2006 C VAL A 128 24.626 -45.209 5.273 1.00 64.51 C ATOM 2007 O VAL A 128 25.661 -44.639 5.618 1.00 20.14 O ATOM 2008 CB VAL A 128 22.919 -45.257 7.092 1.00 14.42 C ATOM 2009 CG1 VAL A 128 23.695 -44.204 7.868 1.00 40.32 C ATOM 2010 CG2 VAL A 128 21.857 -44.611 6.215 1.00 23.21 C ATOM 0 H VAL A 128 25.702 -46.427 7.215 1.00 2.11 H new ATOM 0 HA VAL A 128 23.289 -46.841 5.674 1.00 35.20 H new ATOM 0 HB VAL A 128 22.419 -45.906 7.810 1.00 14.42 H new ATOM 0 HG11 VAL A 128 23.004 -43.608 8.464 1.00 40.32 H new ATOM 0 HG12 VAL A 128 24.413 -44.693 8.526 1.00 40.32 H new ATOM 0 HG13 VAL A 128 24.225 -43.555 7.171 1.00 40.32 H new ATOM 0 HG21 VAL A 128 21.192 -44.009 6.833 1.00 23.21 H new ATOM 0 HG22 VAL A 128 22.337 -43.974 5.472 1.00 23.21 H new ATOM 0 HG23 VAL A 128 21.280 -45.387 5.711 1.00 23.21 H new ATOM 2020 N SER A 129 24.099 -45.079 4.060 1.00 32.13 N ATOM 2021 CA SER A 129 24.723 -44.244 3.040 1.00 14.25 C ATOM 2022 C SER A 129 24.576 -42.765 3.385 1.00 11.24 C ATOM 2023 O SER A 129 23.519 -42.171 3.174 1.00 63.23 O ATOM 2024 CB SER A 129 24.102 -44.524 1.671 1.00 12.14 C ATOM 2025 OG SER A 129 24.655 -45.692 1.089 1.00 55.20 O ATOM 0 H SER A 129 23.241 -45.541 3.759 1.00 32.13 H new ATOM 0 HA SER A 129 25.785 -44.488 3.006 1.00 14.25 H new ATOM 0 HB2 SER A 129 23.023 -44.641 1.775 1.00 12.14 H new ATOM 0 HB3 SER A 129 24.268 -43.672 1.012 1.00 12.14 H new ATOM 0 HG SER A 129 24.240 -45.850 0.215 1.00 55.20 H new ATOM 2031 N GLN A 130 25.645 -42.179 3.914 1.00 73.52 N ATOM 2032 CA GLN A 130 25.634 -40.769 4.288 1.00 42.30 C ATOM 2033 C GLN A 130 26.897 -40.067 3.799 1.00 22.22 C ATOM 2034 O GLN A 130 27.413 -39.166 4.458 1.00 35.53 O ATOM 2035 CB GLN A 130 25.513 -40.624 5.806 1.00 34.23 C ATOM 2036 CG GLN A 130 26.622 -41.322 6.576 1.00 5.52 C ATOM 2037 CD GLN A 130 27.119 -40.506 7.752 1.00 73.25 C ATOM 2038 OE1 GLN A 130 26.330 -40.026 8.567 1.00 44.15 O ATOM 2039 NE2 GLN A 130 28.434 -40.344 7.848 1.00 12.11 N ATOM 0 H GLN A 130 26.528 -42.657 4.093 1.00 73.52 H new ATOM 0 HA GLN A 130 24.772 -40.300 3.814 1.00 42.30 H new ATOM 0 HB2 GLN A 130 25.516 -39.565 6.062 1.00 34.23 H new ATOM 0 HB3 GLN A 130 24.552 -41.027 6.125 1.00 34.23 H new ATOM 0 HG2 GLN A 130 26.259 -42.285 6.935 1.00 5.52 H new ATOM 0 HG3 GLN A 130 27.454 -41.525 5.902 1.00 5.52 H new ATOM 0 HE21 GLN A 130 29.051 -40.759 7.150 1.00 12.11 H new ATOM 0 HE22 GLN A 130 28.826 -39.804 8.619 1.00 12.11 H new ATOM 2048 N ASN A 131 27.390 -40.487 2.638 1.00 53.02 N ATOM 2049 CA ASN A 131 28.592 -39.899 2.060 1.00 64.24 C ATOM 2050 C ASN A 131 28.533 -39.926 0.536 1.00 22.11 C ATOM 2051 O ASN A 131 28.109 -40.916 -0.061 1.00 4.24 O ATOM 2052 CB ASN A 131 29.836 -40.647 2.547 1.00 33.24 C ATOM 2053 CG ASN A 131 30.553 -39.912 3.662 1.00 30.41 C ATOM 2054 OD1 ASN A 131 31.290 -38.957 3.418 1.00 33.25 O ATOM 2055 ND2 ASN A 131 30.339 -40.355 4.896 1.00 13.31 N ATOM 0 H ASN A 131 26.975 -41.233 2.079 1.00 53.02 H new ATOM 0 HA ASN A 131 28.650 -38.860 2.385 1.00 64.24 H new ATOM 0 HB2 ASN A 131 29.547 -41.638 2.896 1.00 33.24 H new ATOM 0 HB3 ASN A 131 30.521 -40.791 1.711 1.00 33.24 H new ATOM 0 HD21 ASN A 131 30.794 -39.900 5.687 1.00 13.31 H new ATOM 0 HD22 ASN A 131 29.720 -41.150 5.052 1.00 13.31 H new ATOM 2062 N TYR A 132 28.961 -38.834 -0.088 1.00 75.54 N ATOM 2063 CA TYR A 132 28.955 -38.730 -1.541 1.00 10.50 C ATOM 2064 C TYR A 132 27.557 -38.979 -2.099 1.00 14.53 C ATOM 2065 O TYR A 132 26.673 -38.145 -1.907 1.00 13.50 O ATOM 2066 CB TYR A 132 29.943 -39.729 -2.148 1.00 25.40 C ATOM 2067 CG TYR A 132 30.523 -39.279 -3.470 1.00 20.51 C ATOM 2068 CD1 TYR A 132 29.747 -39.268 -4.624 1.00 70.43 C ATOM 2069 CD2 TYR A 132 31.845 -38.865 -3.567 1.00 63.21 C ATOM 2070 CE1 TYR A 132 30.273 -38.858 -5.834 1.00 51.03 C ATOM 2071 CE2 TYR A 132 32.379 -38.453 -4.773 1.00 33.31 C ATOM 2072 CZ TYR A 132 31.589 -38.451 -5.903 1.00 12.32 C ATOM 2073 OH TYR A 132 32.117 -38.042 -7.106 1.00 54.43 O ATOM 0 H TYR A 132 29.317 -38.007 0.392 1.00 75.54 H new ATOM 0 HA TYR A 132 29.259 -37.718 -1.809 1.00 10.50 H new ATOM 0 HB2 TYR A 132 30.756 -39.897 -1.442 1.00 25.40 H new ATOM 0 HB3 TYR A 132 29.440 -40.686 -2.288 1.00 25.40 H new ATOM 0 HD1 TYR A 132 28.716 -39.585 -4.573 1.00 70.43 H new ATOM 0 HD2 TYR A 132 32.467 -38.865 -2.684 1.00 63.21 H new ATOM 0 HE1 TYR A 132 29.657 -38.856 -6.721 1.00 51.03 H new ATOM 0 HE2 TYR A 132 33.409 -38.134 -4.830 1.00 33.31 H new ATOM 0 HH TYR A 132 33.055 -37.787 -6.982 1.00 54.43 H new TER 2083 TYR A 132 HETATM 2084 N 8SP A 300 2.307 -27.633 12.995 1.00 32.22 N HETATM 2085 P 8SP A 300 4.825 -24.674 9.787 1.00 22.41 P HETATM 2086 OG 8SP A 300 3.954 -24.816 11.120 1.00 43.22 O HETATM 2087 C1A 8SP A 300 5.285 -28.812 9.674 1.00 4.31 C HETATM 2088 O1A 8SP A 300 4.241 -29.448 9.955 1.00 72.40 O HETATM 2089 C1B 8SP A 300 2.614 -26.577 5.251 1.00 40.04 C HETATM 2090 O1B 8SP A 300 1.760 -27.088 6.013 1.00 74.20 O HETATM 2091 CB 8SP A 300 3.776 -26.126 11.701 1.00 52.43 C HETATM 2092 C1G 8SP A 300 4.321 -27.760 7.619 1.00 15.01 C HETATM 2093 O1G 8SP A 300 5.294 -27.900 8.661 1.00 24.11 O HETATM 2094 C2A 8SP A 300 6.543 -28.994 10.428 1.00 3.42 C HETATM 2095 C2B 8SP A 300 2.230 -25.675 4.144 1.00 24.41 C HETATM 2096 CA 8SP A 300 2.355 -26.345 12.279 1.00 44.12 C HETATM 2097 C2G 8SP A 300 4.721 -26.627 6.641 1.00 54.15 C HETATM 2098 O2G 8SP A 300 3.946 -26.810 5.442 1.00 62.25 O HETATM 2099 O2P 8SP A 300 5.241 -23.295 9.515 1.00 33.21 O HETATM 2100 C3A 8SP A 300 6.588 -30.229 11.370 1.00 12.51 C HETATM 2101 C3B 8SP A 300 3.347 -25.390 3.098 1.00 34.33 C HETATM 2102 C 8SP A 300 1.299 -26.335 11.249 1.00 31.21 C HETATM 2103 O 8SP A 300 1.221 -25.411 10.409 1.00 34.01 O HETATM 2104 OXT 8SP A 300 0.413 -27.357 11.165 1.00 75.42 O HETATM 2105 C3G 8SP A 300 4.557 -25.208 7.255 1.00 51.22 C HETATM 2106 O3G 8SP A 300 3.945 -25.232 8.569 1.00 33.11 O HETATM 2107 O3P 8SP A 300 6.098 -25.604 9.917 1.00 40.24 O HETATM 2108 C4A 8SP A 300 8.041 -30.643 11.732 1.00 71.32 C HETATM 2109 C4B 8SP A 300 2.938 -24.314 2.054 1.00 35.21 C HETATM 2110 C5A 8SP A 300 8.271 -32.174 11.635 1.00 45.04 C HETATM 2111 C5B 8SP A 300 3.850 -23.059 2.100 1.00 24.22 C HETATM 2112 C6A 8SP A 300 8.941 -32.593 10.298 1.00 24.22 C HETATM 2113 C6B 8SP A 300 3.563 -22.059 0.947 1.00 25.11 C HETATM 2114 C7A 8SP A 300 8.438 -33.968 9.784 1.00 1.01 C HETATM 2115 C7B 8SP A 300 4.505 -20.825 0.980 1.00 14.20 C HETATM 2116 C8A 8SP A 300 8.597 -34.130 8.256 1.00 75.43 C HETATM 2117 C8B 8SP A 300 4.300 -19.875 -0.223 1.00 43.11 C HETATM 0 H38B 8SP A 300 4.494 -20.415 -1.150 1.00 43.11 H new HETATM 0 H38A 8SP A 300 8.025 -33.355 7.746 1.00 75.43 H new HETATM 0 H28B 8SP A 300 3.274 -19.507 -0.226 1.00 43.11 H new HETATM 0 H28A 8SP A 300 9.650 -34.039 7.988 1.00 75.43 H new HETATM 0 H27B 8SP A 300 4.338 -20.272 1.905 1.00 14.20 H new HETATM 0 H27A 8SP A 300 8.988 -34.763 10.288 1.00 1.01 H new HETATM 0 H26B 8SP A 300 3.674 -22.571 -0.009 1.00 25.11 H new HETATM 0 H26A 8SP A 300 8.743 -31.832 9.543 1.00 24.22 H new HETATM 0 H25B 8SP A 300 3.714 -22.552 3.055 1.00 24.22 H new HETATM 0 H25A 8SP A 300 8.896 -32.497 12.467 1.00 45.04 H new HETATM 0 H24B 8SP A 300 2.976 -24.749 1.055 1.00 35.21 H new HETATM 0 H24A 8SP A 300 8.736 -30.133 11.065 1.00 71.32 H new HETATM 0 H23G 8SP A 300 5.535 -24.731 7.323 1.00 51.22 H new HETATM 0 H23B 8SP A 300 4.248 -25.062 3.616 1.00 34.33 H new HETATM 0 H23A 8SP A 300 6.038 -30.006 12.284 1.00 12.51 H new HETATM 0 H22B 8SP A 300 1.373 -26.106 3.627 1.00 24.41 H new HETATM 0 H22A 8SP A 300 7.364 -29.072 9.716 1.00 3.42 H new HETATM 0 H21G 8SP A 300 4.227 -28.700 7.075 1.00 15.01 H new HETATM 0 H18B 8SP A 300 4.987 -19.033 -0.143 1.00 43.11 H new HETATM 0 H18A 8SP A 300 8.229 -35.110 7.954 1.00 75.43 H new HETATM 0 H17B 8SP A 300 5.540 -21.166 0.994 1.00 14.20 H new HETATM 0 H17A 8SP A 300 7.388 -34.088 10.050 1.00 1.01 H new HETATM 0 H16B 8SP A 300 2.528 -21.723 1.011 1.00 25.11 H new HETATM 0 H16A 8SP A 300 10.022 -32.633 10.434 1.00 24.22 H new HETATM 0 H15B 8SP A 300 4.893 -23.372 2.051 1.00 24.22 H new HETATM 0 H15A 8SP A 300 7.315 -32.688 11.735 1.00 45.04 H new HETATM 0 H14B 8SP A 300 1.905 -24.015 2.232 1.00 35.21 H new HETATM 0 H14A 8SP A 300 8.267 -30.309 12.745 1.00 71.32 H new HETATM 0 H13G 8SP A 300 3.950 -24.596 6.588 1.00 51.22 H new HETATM 0 H13B 8SP A 300 3.597 -26.316 2.579 1.00 34.33 H new HETATM 0 H13A 8SP A 300 6.083 -31.067 10.890 1.00 12.51 H new HETATM 0 H12B 8SP A 300 1.902 -24.726 4.568 1.00 24.41 H new HETATM 0 H12A 8SP A 300 6.722 -28.099 11.023 1.00 3.42 H new HETATM 0 H11G 8SP A 300 3.345 -27.544 8.053 1.00 15.01 H new HETATM 0 HXT 8SP A 300 -0.329 -27.099 10.579 1.00 75.42 H new HETATM 0 HB3 8SP A 300 4.510 -26.269 12.494 1.00 52.43 H new HETATM 0 HB2 8SP A 300 3.974 -26.884 10.943 1.00 52.43 H new HETATM 0 HA 8SP A 300 2.161 -25.510 12.953 1.00 44.12 H new HETATM 0 H2G 8SP A 300 5.785 -26.691 6.413 1.00 54.15 H new HETATM 0 H2 8SP A 300 1.441 -27.937 13.440 1.00 32.22 H new HETATM 0 H 8SP A 300 3.140 -28.220 13.045 1.00 32.22 H new